USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 805 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 693 HIS : no HE2:sc= 0.22 K(o=0.45,f=-0.09) USER MOD Set 1.2: A 697 HIS : no HE2:sc= 0.232 K(o=0.45,f=-1.6) USER MOD Set 2.1: A 623 LYS NZ :NH3+ -172:sc= 0.602 (180deg=0) USER MOD Set 2.2: A 624 GLN : amide:sc= 0.201 K(o=0.8,f=-1.3) USER MOD Set 3.1: A 616 SER OG : rot -71:sc= 0.467 USER MOD Set 3.2: A 618 LYS NZ :NH3+ 165:sc= 1.68 (180deg=1.32) USER MOD Set 3.3: A 659 MET CE :methyl -109:sc= -0.212 (180deg=-2.27) USER MOD Single : A 595 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 596 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 602 SER OG : rot 80:sc= 1.18 USER MOD Single : A 605 LYS NZ :NH3+ 163:sc= 1.1 (180deg=0.719) USER MOD Single : A 609 GLN : amide:sc= 0.71 K(o=0.71,f=-1) USER MOD Single : A 610 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 615 ASN : amide:sc= 0.775 K(o=0.78,f=-0.25) USER MOD Single : A 620 ASN : amide:sc= -0.256 X(o=-0.26,f=0) USER MOD Single : A 629 SER OG : rot 180:sc= -0.0168 USER MOD Single : A 633 HIS : no HE2:sc= 0.322 K(o=0.32,f=-3.4!) USER MOD Single : A 634 TYR OH : rot 81:sc= 0.903 USER MOD Single : A 638 TYR OH : rot 43:sc= 1.18 USER MOD Single : A 642 SER OG : rot 180:sc= 0 USER MOD Single : A 643 SER OG : rot 76:sc= 1.19 USER MOD Single : A 646 LYS NZ :NH3+ -125:sc= 0.282 (180deg=-0.237!) USER MOD Single : A 653 SER OG : rot 180:sc= 0 USER MOD Single : A 655 SER OG : rot -77:sc= 0.802 USER MOD Single : A 657 HIS : no HD1:sc= 0 K(o=0,f=-2.8!) USER MOD Single : A 661 LYS NZ :NH3+ -135:sc= 0.0662 (180deg=-0.783) USER MOD Single : A 662 SER OG : rot 180:sc= 0 USER MOD Single : A 666 ASN : amide:sc= 0 X(o=0,f=0.024) USER MOD Single : A 669 TYR OH : rot -15:sc= -0.0676 USER MOD Single : A 672 TYR OH : rot 180:sc= 0 USER MOD Single : A 677 ASN : amide:sc= -0.771 K(o=-0.77,f=-8.3!) USER MOD Single : A 678 GLN : amide:sc= 0.512 K(o=0.51,f=-5.5!) USER MOD Single : A 679 GLN : amide:sc= -1.22 X(o=-1.2,f=-0.92) USER MOD Single : A 681 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 682 SER OG : rot 82:sc= 1.05 USER MOD Single : A 683 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 686 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 691 THR OG1 : rot 180:sc= -0.123 USER MOD Single : A 692 HIS : no HD1:sc= -1.33 K(o=-1.3,f=-0.22) USER MOD Single : A 694 HIS : no HE2:sc= 0.00496 K(o=0.005,f=-1.3) USER MOD Single : A 695 HIS : no HE2:sc= 0.372 K(o=0.37,f=-1.6) USER MOD Single : A 696 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 595 2.534 0.404 0.110 1.00 25.00 N ATOM 2 CA MET A 595 2.875 0.515 -1.335 1.00 25.00 C ATOM 3 C MET A 595 2.933 -0.860 -2.011 1.00 25.00 C ATOM 4 O MET A 595 2.366 -1.022 -3.068 1.00 25.00 O ATOM 5 CB MET A 595 4.187 1.295 -1.526 1.00 25.00 C ATOM 6 CG MET A 595 5.398 0.737 -0.780 1.00 25.00 C ATOM 7 SD MET A 595 6.811 1.823 -0.966 1.00 25.00 S ATOM 8 CE MET A 595 8.098 0.882 -0.123 1.00 25.00 C ATOM 0 HA MET A 595 2.077 1.075 -1.824 1.00 25.00 H new ATOM 0 HB2 MET A 595 4.420 1.325 -2.590 1.00 25.00 H new ATOM 0 HB3 MET A 595 4.027 2.325 -1.206 1.00 25.00 H new ATOM 0 HG2 MET A 595 5.159 0.621 0.277 1.00 25.00 H new ATOM 0 HG3 MET A 595 5.642 -0.254 -1.162 1.00 25.00 H new ATOM 0 HE1 MET A 595 9.036 1.436 -0.159 1.00 25.00 H new ATOM 0 HE2 MET A 595 7.810 0.722 0.916 1.00 25.00 H new ATOM 0 HE3 MET A 595 8.226 -0.082 -0.616 1.00 25.00 H new ATOM 20 N GLN A 596 3.592 -1.854 -1.424 1.00 25.00 N ATOM 21 CA GLN A 596 3.711 -3.175 -2.070 1.00 25.00 C ATOM 22 C GLN A 596 2.419 -3.943 -2.450 1.00 25.00 C ATOM 23 O GLN A 596 2.417 -4.630 -3.464 1.00 25.00 O ATOM 24 CB GLN A 596 4.557 -4.095 -1.188 1.00 25.00 C ATOM 25 CG GLN A 596 6.013 -3.667 -1.071 1.00 25.00 C ATOM 26 CD GLN A 596 6.467 -3.595 0.364 1.00 25.00 C ATOM 27 OE1 GLN A 596 5.934 -2.816 1.143 1.00 25.00 O ATOM 28 NE2 GLN A 596 7.432 -4.400 0.724 1.00 25.00 N ATOM 0 H GLN A 596 4.049 -1.782 -0.515 1.00 25.00 H new ATOM 0 HA GLN A 596 4.162 -2.924 -3.030 1.00 25.00 H new ATOM 0 HB2 GLN A 596 4.118 -4.132 -0.191 1.00 25.00 H new ATOM 0 HB3 GLN A 596 4.517 -5.107 -1.591 1.00 25.00 H new ATOM 0 HG2 GLN A 596 6.643 -4.371 -1.615 1.00 25.00 H new ATOM 0 HG3 GLN A 596 6.143 -2.693 -1.542 1.00 25.00 H new ATOM 0 HE21 GLN A 596 7.849 -5.034 0.042 1.00 25.00 H new ATOM 0 HE22 GLN A 596 7.768 -4.394 1.687 1.00 25.00 H new ATOM 37 N PRO A 597 1.324 -3.857 -1.656 1.00 25.00 N ATOM 38 CA PRO A 597 0.191 -4.677 -2.119 1.00 25.00 C ATOM 39 C PRO A 597 -0.578 -4.150 -3.341 1.00 25.00 C ATOM 40 O PRO A 597 -1.454 -4.839 -3.855 1.00 25.00 O ATOM 41 CB PRO A 597 -0.723 -4.700 -0.893 1.00 25.00 C ATOM 42 CG PRO A 597 -0.503 -3.392 -0.264 1.00 25.00 C ATOM 43 CD PRO A 597 0.983 -3.164 -0.395 1.00 25.00 C ATOM 0 HA PRO A 597 0.551 -5.644 -2.470 1.00 25.00 H new ATOM 0 HB2 PRO A 597 -1.767 -4.837 -1.175 1.00 25.00 H new ATOM 0 HB3 PRO A 597 -0.466 -5.516 -0.218 1.00 25.00 H new ATOM 0 HG2 PRO A 597 -1.072 -2.609 -0.765 1.00 25.00 H new ATOM 0 HG3 PRO A 597 -0.815 -3.395 0.780 1.00 25.00 H new ATOM 0 HD2 PRO A 597 1.224 -2.102 -0.442 1.00 25.00 H new ATOM 0 HD3 PRO A 597 1.530 -3.578 0.452 1.00 25.00 H new ATOM 51 N VAL A 598 -0.266 -2.947 -3.808 1.00 25.00 N ATOM 52 CA VAL A 598 -0.965 -2.368 -4.959 1.00 25.00 C ATOM 53 C VAL A 598 -0.003 -2.395 -6.143 1.00 25.00 C ATOM 54 O VAL A 598 1.170 -2.050 -6.010 1.00 25.00 O ATOM 55 CB VAL A 598 -1.526 -0.917 -4.654 1.00 25.00 C ATOM 56 CG1 VAL A 598 -1.025 -0.379 -3.301 1.00 25.00 C ATOM 57 CG2 VAL A 598 -1.188 0.085 -5.775 1.00 25.00 C ATOM 0 H VAL A 598 0.462 -2.352 -3.413 1.00 25.00 H new ATOM 0 HA VAL A 598 -1.850 -2.958 -5.196 1.00 25.00 H new ATOM 0 HB VAL A 598 -2.610 -1.019 -4.604 1.00 25.00 H new ATOM 0 HG11 VAL A 598 -1.433 0.617 -3.132 1.00 25.00 H new ATOM 0 HG12 VAL A 598 -1.350 -1.045 -2.502 1.00 25.00 H new ATOM 0 HG13 VAL A 598 0.064 -0.328 -3.310 1.00 25.00 H new ATOM 0 HG21 VAL A 598 -1.593 1.065 -5.521 1.00 25.00 H new ATOM 0 HG22 VAL A 598 -0.106 0.157 -5.885 1.00 25.00 H new ATOM 0 HG23 VAL A 598 -1.626 -0.257 -6.713 1.00 25.00 H new ATOM 67 N ARG A 599 -0.499 -2.821 -7.299 1.00 25.00 N ATOM 68 CA ARG A 599 0.327 -2.908 -8.503 1.00 25.00 C ATOM 69 C ARG A 599 0.207 -1.639 -9.329 1.00 25.00 C ATOM 70 O ARG A 599 -0.714 -0.835 -9.127 1.00 25.00 O ATOM 71 CB ARG A 599 -0.093 -4.123 -9.343 1.00 25.00 C ATOM 72 CG ARG A 599 -1.529 -4.038 -9.887 1.00 25.00 C ATOM 73 CD ARG A 599 -1.896 -5.248 -10.748 1.00 25.00 C ATOM 74 NE ARG A 599 -2.025 -6.480 -9.944 1.00 25.00 N ATOM 75 CZ ARG A 599 -1.117 -7.448 -9.855 1.00 25.00 C ATOM 76 NH1 ARG A 599 0.021 -7.412 -10.506 1.00 25.00 N ATOM 77 NH2 ARG A 599 -1.363 -8.475 -9.093 1.00 25.00 N ATOM 0 H ARG A 599 -1.468 -3.112 -7.431 1.00 25.00 H new ATOM 0 HA ARG A 599 1.367 -3.026 -8.199 1.00 25.00 H new ATOM 0 HB2 ARG A 599 0.597 -4.229 -10.180 1.00 25.00 H new ATOM 0 HB3 ARG A 599 0.002 -5.023 -8.735 1.00 25.00 H new ATOM 0 HG2 ARG A 599 -2.227 -3.963 -9.053 1.00 25.00 H new ATOM 0 HG3 ARG A 599 -1.638 -3.128 -10.477 1.00 25.00 H new ATOM 0 HD2 ARG A 599 -2.835 -5.053 -11.266 1.00 25.00 H new ATOM 0 HD3 ARG A 599 -1.134 -5.393 -11.514 1.00 25.00 H new ATOM 0 HE ARG A 599 -2.886 -6.599 -9.410 1.00 25.00 H new ATOM 0 HH11 ARG A 599 0.238 -6.619 -11.110 1.00 25.00 H new ATOM 0 HH12 ARG A 599 0.689 -8.177 -10.408 1.00 25.00 H new ATOM 0 HH21 ARG A 599 -2.241 -8.528 -8.576 1.00 25.00 H new ATOM 0 HH22 ARG A 599 -0.678 -9.226 -9.013 1.00 25.00 H new ATOM 91 N GLU A 600 1.127 -1.476 -10.263 1.00 25.00 N ATOM 92 CA GLU A 600 1.102 -0.345 -11.181 1.00 25.00 C ATOM 93 C GLU A 600 -0.149 -0.470 -12.051 1.00 25.00 C ATOM 94 O GLU A 600 -0.647 -1.583 -12.272 1.00 25.00 O ATOM 95 CB GLU A 600 2.348 -0.353 -12.071 1.00 25.00 C ATOM 96 CG GLU A 600 3.644 -0.214 -11.300 1.00 25.00 C ATOM 97 CD GLU A 600 4.833 0.028 -12.222 1.00 25.00 C ATOM 98 OE1 GLU A 600 5.312 1.187 -12.299 1.00 25.00 O ATOM 99 OE2 GLU A 600 5.293 -0.943 -12.862 1.00 25.00 O ATOM 0 H GLU A 600 1.907 -2.116 -10.408 1.00 25.00 H new ATOM 0 HA GLU A 600 1.088 0.589 -10.619 1.00 25.00 H new ATOM 0 HB2 GLU A 600 2.372 -1.282 -12.641 1.00 25.00 H new ATOM 0 HB3 GLU A 600 2.275 0.461 -12.792 1.00 25.00 H new ATOM 0 HG2 GLU A 600 3.559 0.612 -10.594 1.00 25.00 H new ATOM 0 HG3 GLU A 600 3.817 -1.117 -10.715 1.00 25.00 H new ATOM 106 N PRO A 601 -0.685 0.658 -12.546 1.00 25.00 N ATOM 107 CA PRO A 601 -1.891 0.515 -13.371 1.00 25.00 C ATOM 108 C PRO A 601 -1.675 -0.170 -14.724 1.00 25.00 C ATOM 109 O PRO A 601 -0.576 -0.214 -15.272 1.00 25.00 O ATOM 110 CB PRO A 601 -2.366 1.959 -13.543 1.00 25.00 C ATOM 111 CG PRO A 601 -1.148 2.792 -13.367 1.00 25.00 C ATOM 112 CD PRO A 601 -0.279 2.071 -12.395 1.00 25.00 C ATOM 0 HA PRO A 601 -2.614 -0.144 -12.890 1.00 25.00 H new ATOM 0 HB2 PRO A 601 -2.810 2.113 -14.526 1.00 25.00 H new ATOM 0 HB3 PRO A 601 -3.127 2.214 -12.806 1.00 25.00 H new ATOM 0 HG2 PRO A 601 -0.633 2.932 -14.318 1.00 25.00 H new ATOM 0 HG3 PRO A 601 -1.407 3.783 -12.995 1.00 25.00 H new ATOM 0 HD2 PRO A 601 0.778 2.211 -12.622 1.00 25.00 H new ATOM 0 HD3 PRO A 601 -0.436 2.426 -11.377 1.00 25.00 H new ATOM 120 N SER A 602 -2.763 -0.699 -15.254 1.00 25.00 N ATOM 121 CA SER A 602 -2.787 -1.373 -16.545 1.00 25.00 C ATOM 122 C SER A 602 -2.671 -0.348 -17.664 1.00 25.00 C ATOM 123 O SER A 602 -2.997 0.820 -17.479 1.00 25.00 O ATOM 124 CB SER A 602 -4.079 -2.176 -16.707 1.00 25.00 C ATOM 125 OG SER A 602 -4.178 -3.172 -15.703 1.00 25.00 O ATOM 0 H SER A 602 -3.673 -0.673 -14.793 1.00 25.00 H new ATOM 0 HA SER A 602 -1.942 -2.060 -16.596 1.00 25.00 H new ATOM 0 HB2 SER A 602 -4.938 -1.508 -16.650 1.00 25.00 H new ATOM 0 HB3 SER A 602 -4.103 -2.642 -17.692 1.00 25.00 H new ATOM 0 HG SER A 602 -4.493 -2.766 -14.869 1.00 25.00 H new ATOM 131 N ALA A 603 -2.185 -0.782 -18.821 1.00 25.00 N ATOM 132 CA ALA A 603 -2.078 0.103 -19.978 1.00 25.00 C ATOM 133 C ALA A 603 -3.450 0.770 -20.235 1.00 25.00 C ATOM 134 O ALA A 603 -4.507 0.143 -20.026 1.00 25.00 O ATOM 135 CB ALA A 603 -1.623 -0.697 -21.213 1.00 25.00 C ATOM 0 H ALA A 603 -1.860 -1.735 -18.984 1.00 25.00 H new ATOM 0 HA ALA A 603 -1.336 0.877 -19.782 1.00 25.00 H new ATOM 0 HB1 ALA A 603 -1.546 -0.029 -22.071 1.00 25.00 H new ATOM 0 HB2 ALA A 603 -0.651 -1.148 -21.016 1.00 25.00 H new ATOM 0 HB3 ALA A 603 -2.350 -1.480 -21.427 1.00 25.00 H new ATOM 141 N PRO A 604 -3.453 2.039 -20.677 1.00 25.00 N ATOM 142 CA PRO A 604 -4.734 2.721 -20.860 1.00 25.00 C ATOM 143 C PRO A 604 -5.597 2.146 -21.968 1.00 25.00 C ATOM 144 O PRO A 604 -5.129 1.429 -22.848 1.00 25.00 O ATOM 145 CB PRO A 604 -4.311 4.164 -21.161 1.00 25.00 C ATOM 146 CG PRO A 604 -3.017 4.034 -21.759 1.00 25.00 C ATOM 147 CD PRO A 604 -2.336 2.936 -21.019 1.00 25.00 C ATOM 0 HA PRO A 604 -5.372 2.616 -19.983 1.00 25.00 H new ATOM 0 HB2 PRO A 604 -5.014 4.652 -21.836 1.00 25.00 H new ATOM 0 HB3 PRO A 604 -4.271 4.765 -20.252 1.00 25.00 H new ATOM 0 HG2 PRO A 604 -3.099 3.798 -22.820 1.00 25.00 H new ATOM 0 HG3 PRO A 604 -2.455 4.965 -21.681 1.00 25.00 H new ATOM 0 HD2 PRO A 604 -1.588 2.436 -21.634 1.00 25.00 H new ATOM 0 HD3 PRO A 604 -1.824 3.303 -20.130 1.00 25.00 H new ATOM 155 N LYS A 605 -6.881 2.460 -21.892 1.00 25.00 N ATOM 156 CA LYS A 605 -7.867 1.927 -22.830 1.00 25.00 C ATOM 157 C LYS A 605 -7.951 2.895 -23.992 1.00 25.00 C ATOM 158 O LYS A 605 -7.642 4.061 -23.830 1.00 25.00 O ATOM 159 CB LYS A 605 -9.222 1.787 -22.123 1.00 25.00 C ATOM 160 CG LYS A 605 -9.509 0.369 -21.557 1.00 25.00 C ATOM 161 CD LYS A 605 -8.395 -0.216 -20.641 1.00 25.00 C ATOM 162 CE LYS A 605 -8.222 0.543 -19.321 1.00 25.00 C ATOM 163 NZ LYS A 605 -7.062 -0.024 -18.556 1.00 25.00 N ATOM 0 H LYS A 605 -7.270 3.085 -21.187 1.00 25.00 H new ATOM 0 HA LYS A 605 -7.582 0.940 -23.193 1.00 25.00 H new ATOM 0 HB2 LYS A 605 -9.267 2.507 -21.306 1.00 25.00 H new ATOM 0 HB3 LYS A 605 -10.013 2.051 -22.825 1.00 25.00 H new ATOM 0 HG2 LYS A 605 -10.441 0.402 -20.993 1.00 25.00 H new ATOM 0 HG3 LYS A 605 -9.666 -0.313 -22.392 1.00 25.00 H new ATOM 0 HD2 LYS A 605 -8.626 -1.259 -20.423 1.00 25.00 H new ATOM 0 HD3 LYS A 605 -7.449 -0.206 -21.182 1.00 25.00 H new ATOM 0 HE2 LYS A 605 -8.056 1.602 -19.519 1.00 25.00 H new ATOM 0 HE3 LYS A 605 -9.133 0.469 -18.726 1.00 25.00 H new ATOM 0 HZ1 LYS A 605 -6.766 0.651 -17.823 1.00 25.00 H new ATOM 0 HZ2 LYS A 605 -7.345 -0.919 -18.108 1.00 25.00 H new ATOM 0 HZ3 LYS A 605 -6.269 -0.198 -19.206 1.00 25.00 H new ATOM 177 N LEU A 606 -8.354 2.418 -25.160 1.00 25.00 N ATOM 178 CA LEU A 606 -8.449 3.276 -26.334 1.00 25.00 C ATOM 179 C LEU A 606 -9.584 2.807 -27.232 1.00 25.00 C ATOM 180 O LEU A 606 -9.689 1.629 -27.535 1.00 25.00 O ATOM 181 CB LEU A 606 -7.107 3.256 -27.096 1.00 25.00 C ATOM 182 CG LEU A 606 -6.881 4.222 -28.279 1.00 25.00 C ATOM 183 CD1 LEU A 606 -7.406 3.652 -29.598 1.00 25.00 C ATOM 184 CD2 LEU A 606 -7.490 5.605 -28.013 1.00 25.00 C ATOM 0 H LEU A 606 -8.620 1.446 -25.321 1.00 25.00 H new ATOM 0 HA LEU A 606 -8.661 4.298 -26.021 1.00 25.00 H new ATOM 0 HB2 LEU A 606 -6.317 3.443 -26.368 1.00 25.00 H new ATOM 0 HB3 LEU A 606 -6.961 2.243 -27.471 1.00 25.00 H new ATOM 0 HG LEU A 606 -5.802 4.340 -28.373 1.00 25.00 H new ATOM 0 HD11 LEU A 606 -7.225 4.367 -30.401 1.00 25.00 H new ATOM 0 HD12 LEU A 606 -6.891 2.717 -29.821 1.00 25.00 H new ATOM 0 HD13 LEU A 606 -8.477 3.465 -29.513 1.00 25.00 H new ATOM 0 HD21 LEU A 606 -7.308 6.254 -28.870 1.00 25.00 H new ATOM 0 HD22 LEU A 606 -8.564 5.505 -27.855 1.00 25.00 H new ATOM 0 HD23 LEU A 606 -7.031 6.040 -27.125 1.00 25.00 H new ATOM 196 N GLU A 607 -10.416 3.750 -27.654 1.00 25.00 N ATOM 197 CA GLU A 607 -11.511 3.477 -28.590 1.00 25.00 C ATOM 198 C GLU A 607 -11.294 4.206 -29.918 1.00 25.00 C ATOM 199 O GLU A 607 -11.763 3.766 -30.953 1.00 25.00 O ATOM 200 CB GLU A 607 -12.835 3.939 -27.990 1.00 25.00 C ATOM 201 CG GLU A 607 -13.324 3.072 -26.842 1.00 25.00 C ATOM 202 CD GLU A 607 -14.637 3.580 -26.271 1.00 25.00 C ATOM 203 OE1 GLU A 607 -15.198 2.922 -25.373 1.00 25.00 O ATOM 204 OE2 GLU A 607 -15.102 4.656 -26.718 1.00 25.00 O ATOM 0 H GLU A 607 -10.355 4.725 -27.361 1.00 25.00 H new ATOM 0 HA GLU A 607 -11.534 2.403 -28.773 1.00 25.00 H new ATOM 0 HB2 GLU A 607 -12.725 4.964 -27.637 1.00 25.00 H new ATOM 0 HB3 GLU A 607 -13.593 3.951 -28.773 1.00 25.00 H new ATOM 0 HG2 GLU A 607 -13.451 2.047 -27.189 1.00 25.00 H new ATOM 0 HG3 GLU A 607 -12.570 3.051 -26.056 1.00 25.00 H new ATOM 211 N GLY A 608 -10.566 5.318 -29.878 1.00 25.00 N ATOM 212 CA GLY A 608 -10.290 6.080 -31.089 1.00 25.00 C ATOM 213 C GLY A 608 -11.534 6.748 -31.641 1.00 25.00 C ATOM 214 O GLY A 608 -11.850 6.605 -32.818 1.00 25.00 O ATOM 0 H GLY A 608 -10.160 5.708 -29.027 1.00 25.00 H new ATOM 0 HA2 GLY A 608 -9.537 6.838 -30.875 1.00 25.00 H new ATOM 0 HA3 GLY A 608 -9.869 5.417 -31.845 1.00 25.00 H new ATOM 218 N GLN A 609 -12.251 7.473 -30.794 1.00 25.00 N ATOM 219 CA GLN A 609 -13.492 8.109 -31.214 1.00 25.00 C ATOM 220 C GLN A 609 -13.101 9.307 -32.058 1.00 25.00 C ATOM 221 O GLN A 609 -12.443 10.234 -31.578 1.00 25.00 O ATOM 222 CB GLN A 609 -14.335 8.545 -30.011 1.00 25.00 C ATOM 223 CG GLN A 609 -14.901 7.392 -29.163 1.00 25.00 C ATOM 224 CD GLN A 609 -15.876 6.521 -29.902 1.00 25.00 C ATOM 225 OE1 GLN A 609 -16.409 6.870 -30.945 1.00 25.00 O ATOM 226 NE2 GLN A 609 -16.112 5.379 -29.355 1.00 25.00 N ATOM 0 H GLN A 609 -11.998 7.635 -29.819 1.00 25.00 H new ATOM 0 HA GLN A 609 -14.106 7.409 -31.781 1.00 25.00 H new ATOM 0 HB2 GLN A 609 -13.725 9.182 -29.370 1.00 25.00 H new ATOM 0 HB3 GLN A 609 -15.165 9.154 -30.369 1.00 25.00 H new ATOM 0 HG2 GLN A 609 -14.076 6.776 -28.806 1.00 25.00 H new ATOM 0 HG3 GLN A 609 -15.393 7.807 -28.283 1.00 25.00 H new ATOM 0 HE21 GLN A 609 -15.647 5.125 -28.484 1.00 25.00 H new ATOM 0 HE22 GLN A 609 -16.764 4.729 -29.793 1.00 25.00 H new ATOM 235 N MET A 610 -13.486 9.264 -33.323 1.00 25.00 N ATOM 236 CA MET A 610 -13.088 10.273 -34.296 1.00 25.00 C ATOM 237 C MET A 610 -13.538 11.670 -33.899 1.00 25.00 C ATOM 238 O MET A 610 -14.636 11.865 -33.389 1.00 25.00 O ATOM 239 CB MET A 610 -13.671 9.927 -35.667 1.00 25.00 C ATOM 240 CG MET A 610 -13.309 8.527 -36.136 1.00 25.00 C ATOM 241 SD MET A 610 -13.776 8.261 -37.856 1.00 25.00 S ATOM 242 CE MET A 610 -13.427 6.506 -38.039 1.00 25.00 C ATOM 0 H MET A 610 -14.082 8.530 -33.706 1.00 25.00 H new ATOM 0 HA MET A 610 -11.999 10.273 -34.333 1.00 25.00 H new ATOM 0 HB2 MET A 610 -14.756 10.021 -35.627 1.00 25.00 H new ATOM 0 HB3 MET A 610 -13.315 10.652 -36.399 1.00 25.00 H new ATOM 0 HG2 MET A 610 -12.236 8.370 -36.021 1.00 25.00 H new ATOM 0 HG3 MET A 610 -13.808 7.791 -35.505 1.00 25.00 H new ATOM 0 HE1 MET A 610 -13.666 6.191 -39.055 1.00 25.00 H new ATOM 0 HE2 MET A 610 -12.371 6.323 -37.842 1.00 25.00 H new ATOM 0 HE3 MET A 610 -14.032 5.939 -37.331 1.00 25.00 H new ATOM 252 N GLY A 611 -12.679 12.645 -34.150 1.00 25.00 N ATOM 253 CA GLY A 611 -13.014 14.023 -33.854 1.00 25.00 C ATOM 254 C GLY A 611 -13.805 14.638 -34.984 1.00 25.00 C ATOM 255 O GLY A 611 -13.224 15.173 -35.927 1.00 25.00 O ATOM 0 H GLY A 611 -11.753 12.507 -34.555 1.00 25.00 H new ATOM 0 HA2 GLY A 611 -13.592 14.071 -32.931 1.00 25.00 H new ATOM 0 HA3 GLY A 611 -12.102 14.596 -33.689 1.00 25.00 H new ATOM 259 N GLU A 612 -15.127 14.577 -34.888 1.00 25.00 N ATOM 260 CA GLU A 612 -16.024 15.177 -35.887 1.00 25.00 C ATOM 261 C GLU A 612 -15.882 16.703 -35.851 1.00 25.00 C ATOM 262 O GLU A 612 -16.272 17.415 -36.767 1.00 25.00 O ATOM 263 CB GLU A 612 -17.477 14.764 -35.592 1.00 25.00 C ATOM 264 CG GLU A 612 -18.047 15.316 -34.272 1.00 25.00 C ATOM 265 CD GLU A 612 -18.598 14.223 -33.371 1.00 25.00 C ATOM 266 OE1 GLU A 612 -19.574 13.550 -33.753 1.00 25.00 O ATOM 267 OE2 GLU A 612 -18.046 14.049 -32.257 1.00 25.00 O ATOM 0 H GLU A 612 -15.614 14.113 -34.121 1.00 25.00 H new ATOM 0 HA GLU A 612 -15.755 14.822 -36.882 1.00 25.00 H new ATOM 0 HB2 GLU A 612 -18.110 15.099 -36.414 1.00 25.00 H new ATOM 0 HB3 GLU A 612 -17.534 13.676 -35.570 1.00 25.00 H new ATOM 0 HG2 GLU A 612 -17.265 15.859 -33.742 1.00 25.00 H new ATOM 0 HG3 GLU A 612 -18.838 16.032 -34.494 1.00 25.00 H new ATOM 274 N ASP A 613 -15.292 17.166 -34.761 1.00 25.00 N ATOM 275 CA ASP A 613 -15.011 18.569 -34.495 1.00 25.00 C ATOM 276 C ASP A 613 -13.924 19.096 -35.424 1.00 25.00 C ATOM 277 O ASP A 613 -13.812 20.297 -35.667 1.00 25.00 O ATOM 278 CB ASP A 613 -14.469 18.708 -33.060 1.00 25.00 C ATOM 279 CG ASP A 613 -14.986 17.621 -32.108 1.00 25.00 C ATOM 280 OD1 ASP A 613 -14.580 16.434 -32.254 1.00 25.00 O ATOM 281 OD2 ASP A 613 -15.775 17.939 -31.198 1.00 25.00 O ATOM 0 H ASP A 613 -14.983 16.552 -34.008 1.00 25.00 H new ATOM 0 HA ASP A 613 -15.935 19.128 -34.643 1.00 25.00 H new ATOM 0 HB2 ASP A 613 -13.380 18.671 -33.085 1.00 25.00 H new ATOM 0 HB3 ASP A 613 -14.746 19.687 -32.668 1.00 25.00 H new ATOM 286 N GLY A 614 -13.104 18.177 -35.918 1.00 25.00 N ATOM 287 CA GLY A 614 -11.951 18.534 -36.724 1.00 25.00 C ATOM 288 C GLY A 614 -10.806 19.013 -35.844 1.00 25.00 C ATOM 289 O GLY A 614 -11.020 19.495 -34.728 1.00 25.00 O ATOM 0 H GLY A 614 -13.220 17.174 -35.772 1.00 25.00 H new ATOM 0 HA2 GLY A 614 -11.630 17.673 -37.310 1.00 25.00 H new ATOM 0 HA3 GLY A 614 -12.224 19.317 -37.432 1.00 25.00 H new ATOM 293 N ASN A 615 -9.577 18.869 -36.339 1.00 25.00 N ATOM 294 CA ASN A 615 -8.359 19.318 -35.638 1.00 25.00 C ATOM 295 C ASN A 615 -8.229 18.774 -34.193 1.00 25.00 C ATOM 296 O ASN A 615 -7.481 19.329 -33.373 1.00 25.00 O ATOM 297 CB ASN A 615 -8.328 20.863 -35.645 1.00 25.00 C ATOM 298 CG ASN A 615 -6.945 21.423 -35.877 1.00 25.00 C ATOM 299 OD1 ASN A 615 -6.698 22.099 -36.858 1.00 25.00 O ATOM 300 ND2 ASN A 615 -6.049 21.158 -34.981 1.00 25.00 N ATOM 0 H ASN A 615 -9.390 18.436 -37.243 1.00 25.00 H new ATOM 0 HA ASN A 615 -7.503 18.910 -36.175 1.00 25.00 H new ATOM 0 HB2 ASN A 615 -8.998 21.231 -36.422 1.00 25.00 H new ATOM 0 HB3 ASN A 615 -8.709 21.233 -34.693 1.00 25.00 H new ATOM 0 HD21 ASN A 615 -5.101 21.520 -35.085 1.00 25.00 H new ATOM 0 HD22 ASN A 615 -6.291 20.588 -34.171 1.00 25.00 H new ATOM 307 N SER A 616 -8.961 17.709 -33.879 1.00 25.00 N ATOM 308 CA SER A 616 -8.985 17.137 -32.537 1.00 25.00 C ATOM 309 C SER A 616 -9.434 15.674 -32.570 1.00 25.00 C ATOM 310 O SER A 616 -9.818 15.177 -33.627 1.00 25.00 O ATOM 311 CB SER A 616 -9.970 17.948 -31.703 1.00 25.00 C ATOM 312 OG SER A 616 -11.243 17.935 -32.306 1.00 25.00 O ATOM 0 H SER A 616 -9.554 17.218 -34.548 1.00 25.00 H new ATOM 0 HA SER A 616 -7.983 17.171 -32.109 1.00 25.00 H new ATOM 0 HB2 SER A 616 -10.032 17.535 -30.696 1.00 25.00 H new ATOM 0 HB3 SER A 616 -9.616 18.974 -31.605 1.00 25.00 H new ATOM 0 HG SER A 616 -11.226 18.482 -33.119 1.00 25.00 H new ATOM 318 N ILE A 617 -9.377 14.994 -31.425 1.00 25.00 N ATOM 319 CA ILE A 617 -9.831 13.597 -31.302 1.00 25.00 C ATOM 320 C ILE A 617 -10.122 13.265 -29.836 1.00 25.00 C ATOM 321 O ILE A 617 -9.532 13.868 -28.938 1.00 25.00 O ATOM 322 CB ILE A 617 -8.766 12.612 -31.869 1.00 25.00 C ATOM 323 CG1 ILE A 617 -9.354 11.195 -31.997 1.00 25.00 C ATOM 324 CG2 ILE A 617 -7.464 12.611 -31.020 1.00 25.00 C ATOM 325 CD1 ILE A 617 -8.755 10.369 -33.095 1.00 25.00 C ATOM 0 H ILE A 617 -9.017 15.389 -30.556 1.00 25.00 H new ATOM 0 HA ILE A 617 -10.746 13.485 -31.884 1.00 25.00 H new ATOM 0 HB ILE A 617 -8.491 12.960 -32.865 1.00 25.00 H new ATOM 0 HG12 ILE A 617 -9.217 10.672 -31.051 1.00 25.00 H new ATOM 0 HG13 ILE A 617 -10.428 11.275 -32.165 1.00 25.00 H new ATOM 0 HG21 ILE A 617 -6.749 11.910 -31.451 1.00 25.00 H new ATOM 0 HG22 ILE A 617 -7.033 13.612 -31.014 1.00 25.00 H new ATOM 0 HG23 ILE A 617 -7.696 12.310 -29.998 1.00 25.00 H new ATOM 0 HD11 ILE A 617 -9.229 9.387 -33.112 1.00 25.00 H new ATOM 0 HD12 ILE A 617 -8.915 10.865 -34.052 1.00 25.00 H new ATOM 0 HD13 ILE A 617 -7.685 10.253 -32.921 1.00 25.00 H new ATOM 337 N LYS A 618 -11.014 12.308 -29.591 1.00 25.00 N ATOM 338 CA LYS A 618 -11.375 11.904 -28.232 1.00 25.00 C ATOM 339 C LYS A 618 -10.764 10.520 -27.984 1.00 25.00 C ATOM 340 O LYS A 618 -11.121 9.550 -28.654 1.00 25.00 O ATOM 341 CB LYS A 618 -12.910 11.847 -28.065 1.00 25.00 C ATOM 342 CG LYS A 618 -13.701 13.090 -28.560 1.00 25.00 C ATOM 343 CD LYS A 618 -14.070 12.999 -30.067 1.00 25.00 C ATOM 344 CE LYS A 618 -15.560 13.242 -30.355 1.00 25.00 C ATOM 345 NZ LYS A 618 -15.962 14.694 -30.453 1.00 25.00 N ATOM 0 H LYS A 618 -11.505 11.793 -30.322 1.00 25.00 H new ATOM 0 HA LYS A 618 -10.995 12.629 -27.512 1.00 25.00 H new ATOM 0 HB2 LYS A 618 -13.280 10.971 -28.598 1.00 25.00 H new ATOM 0 HB3 LYS A 618 -13.134 11.696 -27.009 1.00 25.00 H new ATOM 0 HG2 LYS A 618 -14.613 13.194 -27.972 1.00 25.00 H new ATOM 0 HG3 LYS A 618 -13.106 13.987 -28.388 1.00 25.00 H new ATOM 0 HD2 LYS A 618 -13.479 13.728 -30.621 1.00 25.00 H new ATOM 0 HD3 LYS A 618 -13.793 12.013 -30.441 1.00 25.00 H new ATOM 0 HE2 LYS A 618 -15.820 12.745 -31.289 1.00 25.00 H new ATOM 0 HE3 LYS A 618 -16.148 12.770 -29.568 1.00 25.00 H new ATOM 0 HZ1 LYS A 618 -16.902 14.765 -30.892 1.00 25.00 H new ATOM 0 HZ2 LYS A 618 -15.992 15.111 -29.501 1.00 25.00 H new ATOM 0 HZ3 LYS A 618 -15.269 15.208 -31.034 1.00 25.00 H new ATOM 359 N VAL A 619 -9.842 10.420 -27.039 1.00 25.00 N ATOM 360 CA VAL A 619 -9.190 9.140 -26.736 1.00 25.00 C ATOM 361 C VAL A 619 -9.633 8.719 -25.333 1.00 25.00 C ATOM 362 O VAL A 619 -9.721 9.540 -24.421 1.00 25.00 O ATOM 363 CB VAL A 619 -7.609 9.197 -26.925 1.00 25.00 C ATOM 364 CG1 VAL A 619 -7.121 10.632 -27.213 1.00 25.00 C ATOM 365 CG2 VAL A 619 -6.851 8.612 -25.723 1.00 25.00 C ATOM 0 H VAL A 619 -9.524 11.202 -26.467 1.00 25.00 H new ATOM 0 HA VAL A 619 -9.502 8.377 -27.450 1.00 25.00 H new ATOM 0 HB VAL A 619 -7.387 8.574 -27.791 1.00 25.00 H new ATOM 0 HG11 VAL A 619 -6.038 10.630 -27.336 1.00 25.00 H new ATOM 0 HG12 VAL A 619 -7.589 10.999 -28.126 1.00 25.00 H new ATOM 0 HG13 VAL A 619 -7.391 11.282 -26.381 1.00 25.00 H new ATOM 0 HG21 VAL A 619 -5.778 8.675 -25.904 1.00 25.00 H new ATOM 0 HG22 VAL A 619 -7.102 9.176 -24.825 1.00 25.00 H new ATOM 0 HG23 VAL A 619 -7.135 7.568 -25.587 1.00 25.00 H new ATOM 375 N ASN A 620 -9.941 7.437 -25.188 1.00 25.00 N ATOM 376 CA ASN A 620 -10.424 6.878 -23.925 1.00 25.00 C ATOM 377 C ASN A 620 -9.363 6.932 -22.837 1.00 25.00 C ATOM 378 O ASN A 620 -8.175 6.835 -23.121 1.00 25.00 O ATOM 379 CB ASN A 620 -10.803 5.413 -24.132 1.00 25.00 C ATOM 380 CG ASN A 620 -12.220 5.132 -23.776 1.00 25.00 C ATOM 381 OD1 ASN A 620 -12.504 4.434 -22.820 1.00 25.00 O ATOM 382 ND2 ASN A 620 -13.117 5.663 -24.551 1.00 25.00 N ATOM 0 H ASN A 620 -9.864 6.753 -25.940 1.00 25.00 H new ATOM 0 HA ASN A 620 -11.282 7.474 -23.613 1.00 25.00 H new ATOM 0 HB2 ASN A 620 -10.634 5.142 -25.174 1.00 25.00 H new ATOM 0 HB3 ASN A 620 -10.149 4.784 -23.528 1.00 25.00 H new ATOM 0 HD21 ASN A 620 -14.108 5.502 -24.370 1.00 25.00 H new ATOM 0 HD22 ASN A 620 -12.831 6.241 -25.341 1.00 25.00 H new ATOM 389 N LEU A 621 -9.801 7.074 -21.597 1.00 25.00 N ATOM 390 CA LEU A 621 -8.898 7.041 -20.460 1.00 25.00 C ATOM 391 C LEU A 621 -9.377 5.988 -19.458 1.00 25.00 C ATOM 392 O LEU A 621 -10.377 5.305 -19.674 1.00 25.00 O ATOM 393 CB LEU A 621 -8.792 8.443 -19.850 1.00 25.00 C ATOM 394 CG LEU A 621 -7.432 8.915 -19.312 1.00 25.00 C ATOM 395 CD1 LEU A 621 -6.261 8.643 -20.260 1.00 25.00 C ATOM 396 CD2 LEU A 621 -7.541 10.415 -19.066 1.00 25.00 C ATOM 0 H LEU A 621 -10.781 7.214 -21.352 1.00 25.00 H new ATOM 0 HA LEU A 621 -7.895 6.752 -20.773 1.00 25.00 H new ATOM 0 HB2 LEU A 621 -9.113 9.158 -20.608 1.00 25.00 H new ATOM 0 HB3 LEU A 621 -9.509 8.502 -19.031 1.00 25.00 H new ATOM 0 HG LEU A 621 -7.216 8.353 -18.403 1.00 25.00 H new ATOM 0 HD11 LEU A 621 -5.337 9.005 -19.810 1.00 25.00 H new ATOM 0 HD12 LEU A 621 -6.181 7.571 -20.441 1.00 25.00 H new ATOM 0 HD13 LEU A 621 -6.430 9.159 -21.205 1.00 25.00 H new ATOM 0 HD21 LEU A 621 -6.593 10.791 -18.682 1.00 25.00 H new ATOM 0 HD22 LEU A 621 -7.780 10.921 -20.002 1.00 25.00 H new ATOM 0 HD23 LEU A 621 -8.329 10.608 -18.338 1.00 25.00 H new ATOM 408 N ILE A 622 -8.653 5.856 -18.365 1.00 25.00 N ATOM 409 CA ILE A 622 -9.016 4.933 -17.295 1.00 25.00 C ATOM 410 C ILE A 622 -10.134 5.578 -16.457 1.00 25.00 C ATOM 411 O ILE A 622 -9.983 6.678 -15.962 1.00 25.00 O ATOM 412 CB ILE A 622 -7.787 4.641 -16.377 1.00 25.00 C ATOM 413 CG1 ILE A 622 -6.733 3.785 -17.094 1.00 25.00 C ATOM 414 CG2 ILE A 622 -8.198 3.911 -15.121 1.00 25.00 C ATOM 415 CD1 ILE A 622 -5.830 4.527 -18.028 1.00 25.00 C ATOM 0 H ILE A 622 -7.797 6.382 -18.188 1.00 25.00 H new ATOM 0 HA ILE A 622 -9.353 3.992 -17.729 1.00 25.00 H new ATOM 0 HB ILE A 622 -7.363 5.613 -16.123 1.00 25.00 H new ATOM 0 HG12 ILE A 622 -6.120 3.288 -16.342 1.00 25.00 H new ATOM 0 HG13 ILE A 622 -7.245 3.003 -17.655 1.00 25.00 H new ATOM 0 HG21 ILE A 622 -7.319 3.724 -14.505 1.00 25.00 H new ATOM 0 HG22 ILE A 622 -8.909 4.520 -14.563 1.00 25.00 H new ATOM 0 HG23 ILE A 622 -8.663 2.962 -15.387 1.00 25.00 H new ATOM 0 HD11 ILE A 622 -5.124 3.831 -18.481 1.00 25.00 H new ATOM 0 HD12 ILE A 622 -6.425 5.001 -18.809 1.00 25.00 H new ATOM 0 HD13 ILE A 622 -5.282 5.290 -17.475 1.00 25.00 H new ATOM 427 N LYS A 623 -11.252 4.880 -16.301 1.00 25.00 N ATOM 428 CA LYS A 623 -12.365 5.364 -15.461 1.00 25.00 C ATOM 429 C LYS A 623 -12.745 4.401 -14.323 1.00 25.00 C ATOM 430 O LYS A 623 -13.796 4.526 -13.713 1.00 25.00 O ATOM 431 CB LYS A 623 -13.582 5.808 -16.312 1.00 25.00 C ATOM 432 CG LYS A 623 -13.795 5.086 -17.644 1.00 25.00 C ATOM 433 CD LYS A 623 -14.296 3.679 -17.454 1.00 25.00 C ATOM 434 CE LYS A 623 -14.404 2.991 -18.799 1.00 25.00 C ATOM 435 NZ LYS A 623 -14.826 1.563 -18.631 1.00 25.00 N ATOM 0 H LYS A 623 -11.422 3.976 -16.741 1.00 25.00 H new ATOM 0 HA LYS A 623 -11.994 6.255 -14.956 1.00 25.00 H new ATOM 0 HB2 LYS A 623 -14.482 5.681 -15.710 1.00 25.00 H new ATOM 0 HB3 LYS A 623 -13.483 6.874 -16.516 1.00 25.00 H new ATOM 0 HG2 LYS A 623 -14.509 5.646 -18.249 1.00 25.00 H new ATOM 0 HG3 LYS A 623 -12.856 5.064 -18.198 1.00 25.00 H new ATOM 0 HD2 LYS A 623 -13.618 3.125 -16.805 1.00 25.00 H new ATOM 0 HD3 LYS A 623 -15.269 3.692 -16.962 1.00 25.00 H new ATOM 0 HE2 LYS A 623 -15.124 3.517 -19.425 1.00 25.00 H new ATOM 0 HE3 LYS A 623 -13.444 3.034 -19.313 1.00 25.00 H new ATOM 0 HZ1 LYS A 623 -14.764 1.073 -19.546 1.00 25.00 H new ATOM 0 HZ2 LYS A 623 -14.201 1.095 -17.944 1.00 25.00 H new ATOM 0 HZ3 LYS A 623 -15.807 1.529 -18.286 1.00 25.00 H new ATOM 449 N GLN A 624 -11.881 3.430 -14.059 1.00 25.00 N ATOM 450 CA GLN A 624 -12.103 2.441 -12.995 1.00 25.00 C ATOM 451 C GLN A 624 -10.745 2.123 -12.387 1.00 25.00 C ATOM 452 O GLN A 624 -9.735 2.477 -12.978 1.00 25.00 O ATOM 453 CB GLN A 624 -12.757 1.159 -13.551 1.00 25.00 C ATOM 454 CG GLN A 624 -11.869 0.304 -14.491 1.00 25.00 C ATOM 455 CD GLN A 624 -11.776 0.859 -15.895 1.00 25.00 C ATOM 456 OE1 GLN A 624 -12.735 0.830 -16.656 1.00 25.00 O ATOM 457 NE2 GLN A 624 -10.624 1.358 -16.254 1.00 25.00 N ATOM 0 H GLN A 624 -11.008 3.300 -14.570 1.00 25.00 H new ATOM 0 HA GLN A 624 -12.783 2.843 -12.244 1.00 25.00 H new ATOM 0 HB2 GLN A 624 -13.068 0.538 -12.711 1.00 25.00 H new ATOM 0 HB3 GLN A 624 -13.661 1.439 -14.091 1.00 25.00 H new ATOM 0 HG2 GLN A 624 -10.867 0.234 -14.068 1.00 25.00 H new ATOM 0 HG3 GLN A 624 -12.268 -0.709 -14.534 1.00 25.00 H new ATOM 0 HE21 GLN A 624 -9.845 1.367 -15.596 1.00 25.00 H new ATOM 0 HE22 GLN A 624 -10.503 1.739 -17.193 1.00 25.00 H new ATOM 466 N ASP A 625 -10.696 1.458 -11.239 1.00 25.00 N ATOM 467 CA ASP A 625 -9.398 1.068 -10.669 1.00 25.00 C ATOM 468 C ASP A 625 -8.722 0.118 -11.657 1.00 25.00 C ATOM 469 O ASP A 625 -9.314 -0.862 -12.089 1.00 25.00 O ATOM 470 CB ASP A 625 -9.554 0.391 -9.308 1.00 25.00 C ATOM 471 CG ASP A 625 -9.245 1.329 -8.165 1.00 25.00 C ATOM 472 OD1 ASP A 625 -8.469 0.946 -7.269 1.00 25.00 O ATOM 473 OD2 ASP A 625 -9.766 2.463 -8.171 1.00 25.00 O ATOM 0 H ASP A 625 -11.511 1.181 -10.692 1.00 25.00 H new ATOM 0 HA ASP A 625 -8.793 1.960 -10.509 1.00 25.00 H new ATOM 0 HB2 ASP A 625 -10.573 0.018 -9.204 1.00 25.00 H new ATOM 0 HB3 ASP A 625 -8.892 -0.473 -9.256 1.00 25.00 H new ATOM 478 N ASP A 626 -7.491 0.438 -12.028 1.00 25.00 N ATOM 479 CA ASP A 626 -6.799 -0.285 -13.087 1.00 25.00 C ATOM 480 C ASP A 626 -5.798 -1.325 -12.611 1.00 25.00 C ATOM 481 O ASP A 626 -5.036 -1.885 -13.401 1.00 25.00 O ATOM 482 CB ASP A 626 -6.065 0.719 -13.955 1.00 25.00 C ATOM 483 CG ASP A 626 -6.532 0.688 -15.396 1.00 25.00 C ATOM 484 OD1 ASP A 626 -5.668 0.762 -16.274 1.00 25.00 O ATOM 485 OD2 ASP A 626 -7.748 0.580 -15.673 1.00 25.00 O ATOM 0 H ASP A 626 -6.949 1.195 -11.611 1.00 25.00 H new ATOM 0 HA ASP A 626 -7.571 -0.833 -13.628 1.00 25.00 H new ATOM 0 HB2 ASP A 626 -6.211 1.720 -13.550 1.00 25.00 H new ATOM 0 HB3 ASP A 626 -4.995 0.513 -13.918 1.00 25.00 H new ATOM 490 N GLY A 627 -5.780 -1.582 -11.318 1.00 25.00 N ATOM 491 CA GLY A 627 -4.885 -2.587 -10.781 1.00 25.00 C ATOM 492 C GLY A 627 -4.913 -2.681 -9.280 1.00 25.00 C ATOM 493 O GLY A 627 -5.583 -3.527 -8.715 1.00 25.00 O ATOM 0 H GLY A 627 -6.367 -1.115 -10.627 1.00 25.00 H new ATOM 0 HA2 GLY A 627 -5.148 -3.557 -11.202 1.00 25.00 H new ATOM 0 HA3 GLY A 627 -3.868 -2.365 -11.103 1.00 25.00 H new ATOM 497 N GLY A 628 -4.143 -1.813 -8.645 1.00 25.00 N ATOM 498 CA GLY A 628 -4.036 -1.837 -7.192 1.00 25.00 C ATOM 499 C GLY A 628 -4.752 -0.738 -6.435 1.00 25.00 C ATOM 500 O GLY A 628 -5.226 -0.941 -5.323 1.00 25.00 O ATOM 0 H GLY A 628 -3.588 -1.091 -9.104 1.00 25.00 H new ATOM 0 HA2 GLY A 628 -4.417 -2.796 -6.839 1.00 25.00 H new ATOM 0 HA3 GLY A 628 -2.979 -1.797 -6.929 1.00 25.00 H new ATOM 504 N SER A 629 -4.802 0.448 -7.025 1.00 25.00 N ATOM 505 CA SER A 629 -5.397 1.621 -6.390 1.00 25.00 C ATOM 506 C SER A 629 -5.787 2.584 -7.501 1.00 25.00 C ATOM 507 O SER A 629 -5.287 2.441 -8.637 1.00 25.00 O ATOM 508 CB SER A 629 -4.363 2.295 -5.473 1.00 25.00 C ATOM 509 OG SER A 629 -3.991 1.430 -4.412 1.00 25.00 O ATOM 0 H SER A 629 -4.431 0.627 -7.958 1.00 25.00 H new ATOM 0 HA SER A 629 -6.263 1.339 -5.792 1.00 25.00 H new ATOM 0 HB2 SER A 629 -3.481 2.568 -6.052 1.00 25.00 H new ATOM 0 HB3 SER A 629 -4.777 3.218 -5.067 1.00 25.00 H new ATOM 0 HG SER A 629 -3.331 1.877 -3.841 1.00 25.00 H new ATOM 515 N PRO A 630 -6.650 3.576 -7.208 1.00 25.00 N ATOM 516 CA PRO A 630 -6.981 4.515 -8.281 1.00 25.00 C ATOM 517 C PRO A 630 -5.790 5.349 -8.738 1.00 25.00 C ATOM 518 O PRO A 630 -4.799 5.533 -8.017 1.00 25.00 O ATOM 519 CB PRO A 630 -8.058 5.398 -7.647 1.00 25.00 C ATOM 520 CG PRO A 630 -7.767 5.350 -6.203 1.00 25.00 C ATOM 521 CD PRO A 630 -7.371 3.921 -5.967 1.00 25.00 C ATOM 0 HA PRO A 630 -7.305 4.000 -9.185 1.00 25.00 H new ATOM 0 HB2 PRO A 630 -8.011 6.418 -8.028 1.00 25.00 H new ATOM 0 HB3 PRO A 630 -9.058 5.023 -7.864 1.00 25.00 H new ATOM 0 HG2 PRO A 630 -6.965 6.037 -5.933 1.00 25.00 H new ATOM 0 HG3 PRO A 630 -8.638 5.627 -5.610 1.00 25.00 H new ATOM 0 HD2 PRO A 630 -6.736 3.817 -5.087 1.00 25.00 H new ATOM 0 HD3 PRO A 630 -8.239 3.280 -5.811 1.00 25.00 H new ATOM 529 N ILE A 631 -5.907 5.849 -9.953 1.00 25.00 N ATOM 530 CA ILE A 631 -4.881 6.667 -10.590 1.00 25.00 C ATOM 531 C ILE A 631 -4.739 7.975 -9.807 1.00 25.00 C ATOM 532 O ILE A 631 -5.668 8.390 -9.113 1.00 25.00 O ATOM 533 CB ILE A 631 -5.285 6.900 -12.093 1.00 25.00 C ATOM 534 CG1 ILE A 631 -4.718 5.771 -12.977 1.00 25.00 C ATOM 535 CG2 ILE A 631 -4.774 8.238 -12.648 1.00 25.00 C ATOM 536 CD1 ILE A 631 -5.265 4.373 -12.696 1.00 25.00 C ATOM 0 H ILE A 631 -6.729 5.699 -10.538 1.00 25.00 H new ATOM 0 HA ILE A 631 -3.910 6.173 -10.582 1.00 25.00 H new ATOM 0 HB ILE A 631 -6.375 6.910 -12.116 1.00 25.00 H new ATOM 0 HG12 ILE A 631 -4.917 6.016 -14.020 1.00 25.00 H new ATOM 0 HG13 ILE A 631 -3.635 5.749 -12.856 1.00 25.00 H new ATOM 0 HG21 ILE A 631 -5.083 8.342 -13.688 1.00 25.00 H new ATOM 0 HG22 ILE A 631 -5.189 9.058 -12.062 1.00 25.00 H new ATOM 0 HG23 ILE A 631 -3.686 8.265 -12.589 1.00 25.00 H new ATOM 0 HD11 ILE A 631 -4.799 3.657 -13.373 1.00 25.00 H new ATOM 0 HD12 ILE A 631 -5.042 4.095 -11.666 1.00 25.00 H new ATOM 0 HD13 ILE A 631 -6.344 4.367 -12.848 1.00 25.00 H new ATOM 548 N ARG A 632 -3.578 8.612 -9.910 1.00 25.00 N ATOM 549 CA ARG A 632 -3.347 9.930 -9.316 1.00 25.00 C ATOM 550 C ARG A 632 -3.304 10.940 -10.477 1.00 25.00 C ATOM 551 O ARG A 632 -3.993 11.957 -10.423 1.00 25.00 O ATOM 552 CB ARG A 632 -2.040 9.937 -8.494 1.00 25.00 C ATOM 553 CG ARG A 632 -2.173 9.612 -6.970 1.00 25.00 C ATOM 554 CD ARG A 632 -2.847 8.259 -6.671 1.00 25.00 C ATOM 555 NE ARG A 632 -4.310 8.385 -6.591 1.00 25.00 N ATOM 556 CZ ARG A 632 -5.017 8.641 -5.499 1.00 25.00 C ATOM 557 NH1 ARG A 632 -4.479 8.787 -4.313 1.00 25.00 N ATOM 558 NH2 ARG A 632 -6.310 8.757 -5.615 1.00 25.00 N ATOM 0 H ARG A 632 -2.771 8.233 -10.405 1.00 25.00 H new ATOM 0 HA ARG A 632 -4.142 10.196 -8.620 1.00 25.00 H new ATOM 0 HB2 ARG A 632 -1.354 9.216 -8.938 1.00 25.00 H new ATOM 0 HB3 ARG A 632 -1.579 10.920 -8.594 1.00 25.00 H new ATOM 0 HG2 ARG A 632 -1.180 9.618 -6.520 1.00 25.00 H new ATOM 0 HG3 ARG A 632 -2.746 10.405 -6.489 1.00 25.00 H new ATOM 0 HD2 ARG A 632 -2.586 7.543 -7.450 1.00 25.00 H new ATOM 0 HD3 ARG A 632 -2.464 7.862 -5.731 1.00 25.00 H new ATOM 0 HE ARG A 632 -4.831 8.264 -7.459 1.00 25.00 H new ATOM 0 HH11 ARG A 632 -3.469 8.704 -4.198 1.00 25.00 H new ATOM 0 HH12 ARG A 632 -5.070 8.983 -3.505 1.00 25.00 H new ATOM 0 HH21 ARG A 632 -6.752 8.651 -6.528 1.00 25.00 H new ATOM 0 HH22 ARG A 632 -6.880 8.954 -4.792 1.00 25.00 H new ATOM 572 N HIS A 633 -2.534 10.648 -11.522 1.00 25.00 N ATOM 573 CA HIS A 633 -2.424 11.543 -12.692 1.00 25.00 C ATOM 574 C HIS A 633 -2.407 10.804 -14.045 1.00 25.00 C ATOM 575 O HIS A 633 -2.109 9.614 -14.109 1.00 25.00 O ATOM 576 CB HIS A 633 -1.122 12.353 -12.594 1.00 25.00 C ATOM 577 CG HIS A 633 -0.898 12.980 -11.252 1.00 25.00 C ATOM 578 ND1 HIS A 633 0.089 12.600 -10.377 1.00 25.00 N ATOM 579 CD2 HIS A 633 -1.549 14.000 -10.627 1.00 25.00 C ATOM 580 CE1 HIS A 633 0.004 13.363 -9.295 1.00 25.00 C ATOM 581 NE2 HIS A 633 -0.983 14.233 -9.388 1.00 25.00 N ATOM 0 H HIS A 633 -1.972 9.799 -11.591 1.00 25.00 H new ATOM 0 HA HIS A 633 -3.312 12.175 -12.667 1.00 25.00 H new ATOM 0 HB2 HIS A 633 -0.281 11.699 -12.824 1.00 25.00 H new ATOM 0 HB3 HIS A 633 -1.134 13.136 -13.353 1.00 25.00 H new ATOM 0 HD1 HIS A 633 0.771 11.858 -10.532 1.00 25.00 H new ATOM 0 HD2 HIS A 633 -2.385 14.546 -11.039 1.00 25.00 H new ATOM 0 HE1 HIS A 633 0.662 13.282 -8.443 1.00 25.00 H new ATOM 589 N TYR A 634 -2.699 11.524 -15.124 1.00 25.00 N ATOM 590 CA TYR A 634 -2.591 10.994 -16.492 1.00 25.00 C ATOM 591 C TYR A 634 -1.639 11.869 -17.275 1.00 25.00 C ATOM 592 O TYR A 634 -1.624 13.088 -17.089 1.00 25.00 O ATOM 593 CB TYR A 634 -3.932 11.012 -17.218 1.00 25.00 C ATOM 594 CG TYR A 634 -4.940 10.092 -16.610 1.00 25.00 C ATOM 595 CD1 TYR A 634 -6.074 10.604 -15.957 1.00 25.00 C ATOM 596 CD2 TYR A 634 -4.777 8.699 -16.684 1.00 25.00 C ATOM 597 CE1 TYR A 634 -7.024 9.742 -15.370 1.00 25.00 C ATOM 598 CE2 TYR A 634 -5.714 7.835 -16.078 1.00 25.00 C ATOM 599 CZ TYR A 634 -6.827 8.372 -15.417 1.00 25.00 C ATOM 600 OH TYR A 634 -7.718 7.552 -14.798 1.00 25.00 O ATOM 0 H TYR A 634 -3.018 12.492 -15.082 1.00 25.00 H new ATOM 0 HA TYR A 634 -2.241 9.964 -16.423 1.00 25.00 H new ATOM 0 HB2 TYR A 634 -4.327 12.028 -17.214 1.00 25.00 H new ATOM 0 HB3 TYR A 634 -3.778 10.734 -18.261 1.00 25.00 H new ATOM 0 HD1 TYR A 634 -6.220 11.673 -15.904 1.00 25.00 H new ATOM 0 HD2 TYR A 634 -3.928 8.286 -17.209 1.00 25.00 H new ATOM 0 HE1 TYR A 634 -7.900 10.148 -14.887 1.00 25.00 H new ATOM 0 HE2 TYR A 634 -5.574 6.765 -16.123 1.00 25.00 H new ATOM 0 HH TYR A 634 -8.502 7.428 -15.373 1.00 25.00 H new ATOM 610 N LEU A 635 -0.851 11.244 -18.139 1.00 25.00 N ATOM 611 CA LEU A 635 0.113 11.958 -18.970 1.00 25.00 C ATOM 612 C LEU A 635 -0.080 11.526 -20.425 1.00 25.00 C ATOM 613 O LEU A 635 -0.095 10.326 -20.717 1.00 25.00 O ATOM 614 CB LEU A 635 1.547 11.649 -18.514 1.00 25.00 C ATOM 615 CG LEU A 635 1.890 11.876 -17.025 1.00 25.00 C ATOM 616 CD1 LEU A 635 1.708 10.596 -16.182 1.00 25.00 C ATOM 617 CD2 LEU A 635 3.338 12.335 -16.899 1.00 25.00 C ATOM 0 H LEU A 635 -0.860 10.234 -18.284 1.00 25.00 H new ATOM 0 HA LEU A 635 -0.049 13.032 -18.877 1.00 25.00 H new ATOM 0 HB2 LEU A 635 1.757 10.606 -18.752 1.00 25.00 H new ATOM 0 HB3 LEU A 635 2.227 12.256 -19.111 1.00 25.00 H new ATOM 0 HG LEU A 635 1.204 12.635 -16.648 1.00 25.00 H new ATOM 0 HD11 LEU A 635 1.961 10.806 -15.143 1.00 25.00 H new ATOM 0 HD12 LEU A 635 0.671 10.264 -16.243 1.00 25.00 H new ATOM 0 HD13 LEU A 635 2.363 9.813 -16.564 1.00 25.00 H new ATOM 0 HD21 LEU A 635 3.579 12.495 -15.848 1.00 25.00 H new ATOM 0 HD22 LEU A 635 3.999 11.572 -17.311 1.00 25.00 H new ATOM 0 HD23 LEU A 635 3.473 13.267 -17.448 1.00 25.00 H new ATOM 629 N VAL A 636 -0.224 12.483 -21.331 1.00 25.00 N ATOM 630 CA VAL A 636 -0.401 12.180 -22.762 1.00 25.00 C ATOM 631 C VAL A 636 0.641 12.932 -23.587 1.00 25.00 C ATOM 632 O VAL A 636 0.968 14.074 -23.276 1.00 25.00 O ATOM 633 CB VAL A 636 -1.825 12.584 -23.260 1.00 25.00 C ATOM 634 CG1 VAL A 636 -2.111 11.990 -24.648 1.00 25.00 C ATOM 635 CG2 VAL A 636 -2.901 12.118 -22.263 1.00 25.00 C ATOM 0 H VAL A 636 -0.223 13.479 -21.110 1.00 25.00 H new ATOM 0 HA VAL A 636 -0.278 11.104 -22.888 1.00 25.00 H new ATOM 0 HB VAL A 636 -1.855 13.671 -23.333 1.00 25.00 H new ATOM 0 HG11 VAL A 636 -3.109 12.286 -24.972 1.00 25.00 H new ATOM 0 HG12 VAL A 636 -1.374 12.359 -25.361 1.00 25.00 H new ATOM 0 HG13 VAL A 636 -2.054 10.903 -24.597 1.00 25.00 H new ATOM 0 HG21 VAL A 636 -3.886 12.409 -22.628 1.00 25.00 H new ATOM 0 HG22 VAL A 636 -2.858 11.034 -22.161 1.00 25.00 H new ATOM 0 HG23 VAL A 636 -2.723 12.581 -21.292 1.00 25.00 H new ATOM 645 N ARG A 637 1.148 12.297 -24.636 1.00 25.00 N ATOM 646 CA ARG A 637 2.142 12.894 -25.534 1.00 25.00 C ATOM 647 C ARG A 637 1.779 12.486 -26.955 1.00 25.00 C ATOM 648 O ARG A 637 1.426 11.349 -27.181 1.00 25.00 O ATOM 649 CB ARG A 637 3.536 12.367 -25.172 1.00 25.00 C ATOM 650 CG ARG A 637 4.602 12.734 -26.186 1.00 25.00 C ATOM 651 CD ARG A 637 6.016 12.541 -25.665 1.00 25.00 C ATOM 652 NE ARG A 637 6.345 13.504 -24.600 1.00 25.00 N ATOM 653 CZ ARG A 637 7.537 13.641 -24.033 1.00 25.00 C ATOM 654 NH1 ARG A 637 8.574 12.922 -24.391 1.00 25.00 N ATOM 655 NH2 ARG A 637 7.685 14.521 -23.087 1.00 25.00 N ATOM 0 H ARG A 637 0.883 11.346 -24.894 1.00 25.00 H new ATOM 0 HA ARG A 637 2.150 13.980 -25.443 1.00 25.00 H new ATOM 0 HB2 ARG A 637 3.823 12.760 -24.197 1.00 25.00 H new ATOM 0 HB3 ARG A 637 3.493 11.282 -25.078 1.00 25.00 H new ATOM 0 HG2 ARG A 637 4.466 12.128 -27.082 1.00 25.00 H new ATOM 0 HG3 ARG A 637 4.470 13.775 -26.482 1.00 25.00 H new ATOM 0 HD2 ARG A 637 6.127 11.526 -25.284 1.00 25.00 H new ATOM 0 HD3 ARG A 637 6.724 12.652 -26.486 1.00 25.00 H new ATOM 0 HE ARG A 637 5.597 14.115 -24.272 1.00 25.00 H new ATOM 0 HH11 ARG A 637 8.481 12.226 -25.131 1.00 25.00 H new ATOM 0 HH12 ARG A 637 9.473 13.059 -23.929 1.00 25.00 H new ATOM 0 HH21 ARG A 637 6.892 15.092 -22.793 1.00 25.00 H new ATOM 0 HH22 ARG A 637 8.594 14.641 -22.639 1.00 25.00 H new ATOM 669 N TYR A 638 1.851 13.402 -27.906 1.00 25.00 N ATOM 670 CA TYR A 638 1.512 13.085 -29.295 1.00 25.00 C ATOM 671 C TYR A 638 2.415 13.857 -30.243 1.00 25.00 C ATOM 672 O TYR A 638 3.049 14.824 -29.827 1.00 25.00 O ATOM 673 CB TYR A 638 0.019 13.361 -29.572 1.00 25.00 C ATOM 674 CG TYR A 638 -0.475 14.770 -29.287 1.00 25.00 C ATOM 675 CD1 TYR A 638 -0.824 15.639 -30.344 1.00 25.00 C ATOM 676 CD2 TYR A 638 -0.622 15.239 -27.962 1.00 25.00 C ATOM 677 CE1 TYR A 638 -1.330 16.946 -30.077 1.00 25.00 C ATOM 678 CE2 TYR A 638 -1.112 16.541 -27.703 1.00 25.00 C ATOM 679 CZ TYR A 638 -1.472 17.375 -28.758 1.00 25.00 C ATOM 680 OH TYR A 638 -1.957 18.626 -28.483 1.00 25.00 O ATOM 0 H TYR A 638 2.139 14.368 -27.749 1.00 25.00 H new ATOM 0 HA TYR A 638 1.679 12.022 -29.466 1.00 25.00 H new ATOM 0 HB2 TYR A 638 -0.181 13.135 -30.619 1.00 25.00 H new ATOM 0 HB3 TYR A 638 -0.573 12.665 -28.977 1.00 25.00 H new ATOM 0 HD1 TYR A 638 -0.707 15.310 -31.366 1.00 25.00 H new ATOM 0 HD2 TYR A 638 -0.357 14.595 -27.136 1.00 25.00 H new ATOM 0 HE1 TYR A 638 -1.602 17.600 -30.893 1.00 25.00 H new ATOM 0 HE2 TYR A 638 -1.207 16.888 -26.685 1.00 25.00 H new ATOM 0 HH TYR A 638 -2.725 18.814 -29.063 1.00 25.00 H new ATOM 690 N ARG A 639 2.486 13.414 -31.495 1.00 25.00 N ATOM 691 CA ARG A 639 3.354 14.014 -32.522 1.00 25.00 C ATOM 692 C ARG A 639 2.720 13.729 -33.877 1.00 25.00 C ATOM 693 O ARG A 639 2.045 12.721 -34.030 1.00 25.00 O ATOM 694 CB ARG A 639 4.756 13.394 -32.408 1.00 25.00 C ATOM 695 CG ARG A 639 5.710 13.587 -33.579 1.00 25.00 C ATOM 696 CD ARG A 639 5.724 12.345 -34.463 1.00 25.00 C ATOM 697 NE ARG A 639 5.767 12.701 -35.884 1.00 25.00 N ATOM 698 CZ ARG A 639 5.758 11.842 -36.893 1.00 25.00 C ATOM 699 NH1 ARG A 639 5.700 10.545 -36.720 1.00 25.00 N ATOM 700 NH2 ARG A 639 5.803 12.309 -38.109 1.00 25.00 N ATOM 0 H ARG A 639 1.941 12.622 -31.835 1.00 25.00 H new ATOM 0 HA ARG A 639 3.455 15.092 -32.394 1.00 25.00 H new ATOM 0 HB2 ARG A 639 5.232 13.802 -31.516 1.00 25.00 H new ATOM 0 HB3 ARG A 639 4.637 12.323 -32.244 1.00 25.00 H new ATOM 0 HG2 ARG A 639 5.406 14.455 -34.165 1.00 25.00 H new ATOM 0 HG3 ARG A 639 6.715 13.789 -33.208 1.00 25.00 H new ATOM 0 HD2 ARG A 639 6.588 11.729 -34.214 1.00 25.00 H new ATOM 0 HD3 ARG A 639 4.837 11.744 -34.263 1.00 25.00 H new ATOM 0 HE ARG A 639 5.807 13.693 -36.116 1.00 25.00 H new ATOM 0 HH11 ARG A 639 5.659 10.158 -35.777 1.00 25.00 H new ATOM 0 HH12 ARG A 639 5.695 9.922 -37.528 1.00 25.00 H new ATOM 0 HH21 ARG A 639 5.844 13.316 -38.267 1.00 25.00 H new ATOM 0 HH22 ARG A 639 5.797 11.668 -38.902 1.00 25.00 H new ATOM 714 N ALA A 640 2.931 14.612 -34.840 1.00 25.00 N ATOM 715 CA ALA A 640 2.342 14.498 -36.170 1.00 25.00 C ATOM 716 C ALA A 640 3.377 14.842 -37.238 1.00 25.00 C ATOM 717 O ALA A 640 4.553 15.016 -36.935 1.00 25.00 O ATOM 718 CB ALA A 640 1.167 15.429 -36.269 1.00 25.00 C ATOM 0 H ALA A 640 3.521 15.436 -34.722 1.00 25.00 H new ATOM 0 HA ALA A 640 2.009 13.473 -36.332 1.00 25.00 H new ATOM 0 HB1 ALA A 640 0.722 15.349 -37.261 1.00 25.00 H new ATOM 0 HB2 ALA A 640 0.426 15.161 -35.516 1.00 25.00 H new ATOM 0 HB3 ALA A 640 1.500 16.454 -36.102 1.00 25.00 H new ATOM 724 N LEU A 641 2.939 14.945 -38.486 1.00 25.00 N ATOM 725 CA LEU A 641 3.839 15.305 -39.583 1.00 25.00 C ATOM 726 C LEU A 641 4.452 16.687 -39.350 1.00 25.00 C ATOM 727 O LEU A 641 5.649 16.871 -39.545 1.00 25.00 O ATOM 728 CB LEU A 641 3.087 15.299 -40.923 1.00 25.00 C ATOM 729 CG LEU A 641 3.249 14.075 -41.847 1.00 25.00 C ATOM 730 CD1 LEU A 641 4.695 13.945 -42.339 1.00 25.00 C ATOM 731 CD2 LEU A 641 2.811 12.774 -41.174 1.00 25.00 C ATOM 0 H LEU A 641 1.971 14.786 -38.767 1.00 25.00 H new ATOM 0 HA LEU A 641 4.637 14.563 -39.617 1.00 25.00 H new ATOM 0 HB2 LEU A 641 2.025 15.415 -40.709 1.00 25.00 H new ATOM 0 HB3 LEU A 641 3.398 16.181 -41.483 1.00 25.00 H new ATOM 0 HG LEU A 641 2.593 14.244 -42.701 1.00 25.00 H new ATOM 0 HD11 LEU A 641 4.781 13.074 -42.989 1.00 25.00 H new ATOM 0 HD12 LEU A 641 4.972 14.841 -42.895 1.00 25.00 H new ATOM 0 HD13 LEU A 641 5.361 13.828 -41.484 1.00 25.00 H new ATOM 0 HD21 LEU A 641 2.945 11.943 -41.867 1.00 25.00 H new ATOM 0 HD22 LEU A 641 3.415 12.604 -40.282 1.00 25.00 H new ATOM 0 HD23 LEU A 641 1.760 12.846 -40.892 1.00 25.00 H new ATOM 743 N SER A 642 3.627 17.646 -38.950 1.00 25.00 N ATOM 744 CA SER A 642 4.093 19.009 -38.667 1.00 25.00 C ATOM 745 C SER A 642 4.185 19.304 -37.168 1.00 25.00 C ATOM 746 O SER A 642 5.053 20.052 -36.726 1.00 25.00 O ATOM 747 CB SER A 642 3.135 20.004 -39.324 1.00 25.00 C ATOM 748 OG SER A 642 3.621 21.332 -39.238 1.00 25.00 O ATOM 0 H SER A 642 2.626 17.510 -38.812 1.00 25.00 H new ATOM 0 HA SER A 642 5.100 19.106 -39.074 1.00 25.00 H new ATOM 0 HB2 SER A 642 2.992 19.735 -40.371 1.00 25.00 H new ATOM 0 HB3 SER A 642 2.159 19.942 -38.843 1.00 25.00 H new ATOM 0 HG SER A 642 2.986 21.941 -39.669 1.00 25.00 H new ATOM 754 N SER A 643 3.302 18.710 -36.377 1.00 25.00 N ATOM 755 CA SER A 643 3.329 18.922 -34.925 1.00 25.00 C ATOM 756 C SER A 643 4.439 18.092 -34.281 1.00 25.00 C ATOM 757 O SER A 643 4.546 16.894 -34.517 1.00 25.00 O ATOM 758 CB SER A 643 1.987 18.546 -34.293 1.00 25.00 C ATOM 759 OG SER A 643 0.926 19.323 -34.832 1.00 25.00 O ATOM 0 H SER A 643 2.565 18.085 -36.704 1.00 25.00 H new ATOM 0 HA SER A 643 3.521 19.981 -34.749 1.00 25.00 H new ATOM 0 HB2 SER A 643 1.787 17.488 -34.461 1.00 25.00 H new ATOM 0 HB3 SER A 643 2.037 18.693 -33.214 1.00 25.00 H new ATOM 0 HG SER A 643 0.705 18.997 -35.730 1.00 25.00 H new ATOM 765 N GLU A 644 5.255 18.728 -33.457 1.00 25.00 N ATOM 766 CA GLU A 644 6.355 18.054 -32.772 1.00 25.00 C ATOM 767 C GLU A 644 5.833 17.176 -31.629 1.00 25.00 C ATOM 768 O GLU A 644 4.640 17.180 -31.345 1.00 25.00 O ATOM 769 CB GLU A 644 7.354 19.111 -32.242 1.00 25.00 C ATOM 770 CG GLU A 644 7.047 19.769 -30.855 1.00 25.00 C ATOM 771 CD GLU A 644 5.780 20.635 -30.801 1.00 25.00 C ATOM 772 OE1 GLU A 644 5.212 21.007 -31.853 1.00 25.00 O ATOM 773 OE2 GLU A 644 5.338 20.942 -29.670 1.00 25.00 O ATOM 0 H GLU A 644 5.178 19.722 -33.242 1.00 25.00 H new ATOM 0 HA GLU A 644 6.867 17.401 -33.479 1.00 25.00 H new ATOM 0 HB2 GLU A 644 8.337 18.643 -32.182 1.00 25.00 H new ATOM 0 HB3 GLU A 644 7.425 19.907 -32.983 1.00 25.00 H new ATOM 0 HG2 GLU A 644 6.958 18.979 -30.109 1.00 25.00 H new ATOM 0 HG3 GLU A 644 7.899 20.384 -30.568 1.00 25.00 H new ATOM 780 N TRP A 645 6.724 16.443 -30.965 1.00 25.00 N ATOM 781 CA TRP A 645 6.357 15.691 -29.763 1.00 25.00 C ATOM 782 C TRP A 645 5.951 16.678 -28.672 1.00 25.00 C ATOM 783 O TRP A 645 6.807 17.273 -28.014 1.00 25.00 O ATOM 784 CB TRP A 645 7.537 14.849 -29.259 1.00 25.00 C ATOM 785 CG TRP A 645 7.791 13.608 -30.068 1.00 25.00 C ATOM 786 CD1 TRP A 645 8.830 13.365 -30.907 1.00 25.00 C ATOM 787 CD2 TRP A 645 6.986 12.413 -30.103 1.00 25.00 C ATOM 788 NE1 TRP A 645 8.745 12.121 -31.466 1.00 25.00 N ATOM 789 CE2 TRP A 645 7.621 11.500 -30.996 1.00 25.00 C ATOM 790 CE3 TRP A 645 5.778 12.029 -29.488 1.00 25.00 C ATOM 791 CZ2 TRP A 645 7.089 10.225 -31.275 1.00 25.00 C ATOM 792 CZ3 TRP A 645 5.242 10.745 -29.759 1.00 25.00 C ATOM 793 CH2 TRP A 645 5.908 9.857 -30.653 1.00 25.00 C ATOM 0 H TRP A 645 7.703 16.353 -31.236 1.00 25.00 H new ATOM 0 HA TRP A 645 5.532 15.021 -30.007 1.00 25.00 H new ATOM 0 HB2 TRP A 645 8.437 15.464 -29.263 1.00 25.00 H new ATOM 0 HB3 TRP A 645 7.351 14.564 -28.224 1.00 25.00 H new ATOM 0 HD1 TRP A 645 9.625 14.068 -31.108 1.00 25.00 H new ATOM 0 HE1 TRP A 645 9.411 11.721 -32.126 1.00 25.00 H new ATOM 0 HE3 TRP A 645 5.267 12.705 -28.818 1.00 25.00 H new ATOM 0 HZ2 TRP A 645 7.589 9.553 -31.956 1.00 25.00 H new ATOM 0 HZ3 TRP A 645 4.322 10.437 -29.284 1.00 25.00 H new ATOM 0 HH2 TRP A 645 5.485 8.883 -30.848 1.00 25.00 H new ATOM 804 N LYS A 646 4.650 16.861 -28.488 1.00 25.00 N ATOM 805 CA LYS A 646 4.148 17.809 -27.492 1.00 25.00 C ATOM 806 C LYS A 646 4.625 17.308 -26.128 1.00 25.00 C ATOM 807 O LYS A 646 4.743 16.101 -25.919 1.00 25.00 O ATOM 808 CB LYS A 646 2.613 17.928 -27.545 1.00 25.00 C ATOM 809 CG LYS A 646 1.991 18.009 -28.965 1.00 25.00 C ATOM 810 CD LYS A 646 2.553 19.086 -29.898 1.00 25.00 C ATOM 811 CE LYS A 646 2.096 20.488 -29.548 1.00 25.00 C ATOM 812 NZ LYS A 646 2.649 21.443 -30.569 1.00 25.00 N ATOM 0 H LYS A 646 3.924 16.370 -29.010 1.00 25.00 H new ATOM 0 HA LYS A 646 4.529 18.811 -27.690 1.00 25.00 H new ATOM 0 HB2 LYS A 646 2.183 17.070 -27.029 1.00 25.00 H new ATOM 0 HB3 LYS A 646 2.317 18.817 -26.988 1.00 25.00 H new ATOM 0 HG2 LYS A 646 2.117 17.040 -29.448 1.00 25.00 H new ATOM 0 HG3 LYS A 646 0.919 18.176 -28.859 1.00 25.00 H new ATOM 0 HD2 LYS A 646 3.642 19.049 -29.868 1.00 25.00 H new ATOM 0 HD3 LYS A 646 2.255 18.860 -30.922 1.00 25.00 H new ATOM 0 HE2 LYS A 646 1.007 20.538 -29.534 1.00 25.00 H new ATOM 0 HE3 LYS A 646 2.441 20.760 -28.550 1.00 25.00 H new ATOM 0 HZ1 LYS A 646 3.185 22.193 -30.088 1.00 25.00 H new ATOM 0 HZ2 LYS A 646 3.279 20.930 -31.219 1.00 25.00 H new ATOM 0 HZ3 LYS A 646 1.867 21.867 -31.107 1.00 25.00 H new ATOM 826 N PRO A 647 4.928 18.220 -25.188 1.00 25.00 N ATOM 827 CA PRO A 647 5.551 17.722 -23.954 1.00 25.00 C ATOM 828 C PRO A 647 4.687 16.799 -23.089 1.00 25.00 C ATOM 829 O PRO A 647 5.043 15.637 -22.888 1.00 25.00 O ATOM 830 CB PRO A 647 5.930 19.015 -23.214 1.00 25.00 C ATOM 831 CG PRO A 647 4.974 20.045 -23.732 1.00 25.00 C ATOM 832 CD PRO A 647 4.787 19.689 -25.181 1.00 25.00 C ATOM 0 HA PRO A 647 6.391 17.068 -24.188 1.00 25.00 H new ATOM 0 HB2 PRO A 647 5.836 18.895 -22.135 1.00 25.00 H new ATOM 0 HB3 PRO A 647 6.963 19.298 -23.415 1.00 25.00 H new ATOM 0 HG2 PRO A 647 4.028 20.017 -23.191 1.00 25.00 H new ATOM 0 HG3 PRO A 647 5.376 21.052 -23.619 1.00 25.00 H new ATOM 0 HD2 PRO A 647 3.810 20.002 -25.550 1.00 25.00 H new ATOM 0 HD3 PRO A 647 5.534 20.168 -25.813 1.00 25.00 H new ATOM 840 N GLU A 648 3.577 17.302 -22.573 1.00 25.00 N ATOM 841 CA GLU A 648 2.699 16.517 -21.715 1.00 25.00 C ATOM 842 C GLU A 648 1.335 17.180 -21.685 1.00 25.00 C ATOM 843 O GLU A 648 1.249 18.409 -21.633 1.00 25.00 O ATOM 844 CB GLU A 648 3.251 16.505 -20.280 1.00 25.00 C ATOM 845 CG GLU A 648 2.450 15.651 -19.298 1.00 25.00 C ATOM 846 CD GLU A 648 2.800 15.970 -17.860 1.00 25.00 C ATOM 847 OE1 GLU A 648 3.969 15.771 -17.469 1.00 25.00 O ATOM 848 OE2 GLU A 648 1.902 16.430 -17.122 1.00 25.00 O ATOM 0 H GLU A 648 3.260 18.258 -22.734 1.00 25.00 H new ATOM 0 HA GLU A 648 2.633 15.499 -22.098 1.00 25.00 H new ATOM 0 HB2 GLU A 648 4.278 16.142 -20.303 1.00 25.00 H new ATOM 0 HB3 GLU A 648 3.283 17.529 -19.908 1.00 25.00 H new ATOM 0 HG2 GLU A 648 1.385 15.816 -19.458 1.00 25.00 H new ATOM 0 HG3 GLU A 648 2.642 14.596 -19.493 1.00 25.00 H new ATOM 855 N ILE A 649 0.271 16.389 -21.687 1.00 25.00 N ATOM 856 CA ILE A 649 -1.056 16.905 -21.441 1.00 25.00 C ATOM 857 C ILE A 649 -1.441 16.289 -20.101 1.00 25.00 C ATOM 858 O ILE A 649 -1.589 15.073 -19.985 1.00 25.00 O ATOM 859 CB ILE A 649 -2.077 16.514 -22.537 1.00 25.00 C ATOM 860 CG1 ILE A 649 -1.535 16.854 -23.945 1.00 25.00 C ATOM 861 CG2 ILE A 649 -3.435 17.202 -22.284 1.00 25.00 C ATOM 862 CD1 ILE A 649 -1.263 18.350 -24.223 1.00 25.00 C ATOM 0 H ILE A 649 0.308 15.384 -21.858 1.00 25.00 H new ATOM 0 HA ILE A 649 -1.063 17.995 -21.442 1.00 25.00 H new ATOM 0 HB ILE A 649 -2.230 15.436 -22.492 1.00 25.00 H new ATOM 0 HG12 ILE A 649 -0.608 16.302 -24.099 1.00 25.00 H new ATOM 0 HG13 ILE A 649 -2.249 16.491 -24.685 1.00 25.00 H new ATOM 0 HG21 ILE A 649 -4.139 16.915 -23.065 1.00 25.00 H new ATOM 0 HG22 ILE A 649 -3.824 16.894 -21.313 1.00 25.00 H new ATOM 0 HG23 ILE A 649 -3.302 18.284 -22.295 1.00 25.00 H new ATOM 0 HD11 ILE A 649 -0.886 18.469 -25.239 1.00 25.00 H new ATOM 0 HD12 ILE A 649 -2.188 18.915 -24.111 1.00 25.00 H new ATOM 0 HD13 ILE A 649 -0.522 18.723 -23.516 1.00 25.00 H new ATOM 874 N ARG A 650 -1.577 17.149 -19.107 1.00 25.00 N ATOM 875 CA ARG A 650 -1.984 16.766 -17.754 1.00 25.00 C ATOM 876 C ARG A 650 -3.401 16.335 -17.773 1.00 25.00 C ATOM 877 O ARG A 650 -4.140 16.930 -18.510 1.00 25.00 O ATOM 878 CB ARG A 650 -1.939 17.983 -16.799 1.00 25.00 C ATOM 879 CG ARG A 650 -3.141 19.007 -17.002 1.00 25.00 C ATOM 880 CD ARG A 650 -2.967 20.260 -16.160 1.00 25.00 C ATOM 881 NE ARG A 650 -4.070 21.214 -16.379 1.00 25.00 N ATOM 882 CZ ARG A 650 -4.115 22.130 -17.341 1.00 25.00 C ATOM 883 NH1 ARG A 650 -3.146 22.288 -18.211 1.00 25.00 N ATOM 884 NH2 ARG A 650 -5.160 22.906 -17.430 1.00 25.00 N ATOM 0 H ARG A 650 -1.407 18.149 -19.212 1.00 25.00 H new ATOM 0 HA ARG A 650 -1.308 15.978 -17.421 1.00 25.00 H new ATOM 0 HB2 ARG A 650 -1.949 17.625 -15.769 1.00 25.00 H new ATOM 0 HB3 ARG A 650 -0.996 18.511 -16.943 1.00 25.00 H new ATOM 0 HG2 ARG A 650 -3.209 19.283 -18.054 1.00 25.00 H new ATOM 0 HG3 ARG A 650 -4.080 18.521 -16.739 1.00 25.00 H new ATOM 0 HD2 ARG A 650 -2.923 19.988 -15.105 1.00 25.00 H new ATOM 0 HD3 ARG A 650 -2.018 20.736 -16.406 1.00 25.00 H new ATOM 0 HE ARG A 650 -4.863 21.167 -15.740 1.00 25.00 H new ATOM 0 HH11 ARG A 650 -2.317 21.695 -18.165 1.00 25.00 H new ATOM 0 HH12 ARG A 650 -3.221 23.004 -18.934 1.00 25.00 H new ATOM 0 HH21 ARG A 650 -5.928 22.805 -16.767 1.00 25.00 H new ATOM 0 HH22 ARG A 650 -5.209 23.614 -18.163 1.00 25.00 H new ATOM 898 N LEU A 651 -3.797 15.341 -16.997 1.00 25.00 N ATOM 899 CA LEU A 651 -5.223 15.186 -16.667 1.00 25.00 C ATOM 900 C LEU A 651 -5.393 14.546 -15.283 1.00 25.00 C ATOM 901 O LEU A 651 -4.567 13.728 -14.876 1.00 25.00 O ATOM 902 CB LEU A 651 -6.049 14.503 -17.770 1.00 25.00 C ATOM 903 CG LEU A 651 -6.846 15.431 -18.751 1.00 25.00 C ATOM 904 CD1 LEU A 651 -7.153 16.933 -18.238 1.00 25.00 C ATOM 905 CD2 LEU A 651 -6.156 15.526 -20.129 1.00 25.00 C ATOM 0 H LEU A 651 -3.179 14.641 -16.588 1.00 25.00 H new ATOM 0 HA LEU A 651 -5.649 16.188 -16.615 1.00 25.00 H new ATOM 0 HB2 LEU A 651 -5.374 13.886 -18.363 1.00 25.00 H new ATOM 0 HB3 LEU A 651 -6.759 13.829 -17.291 1.00 25.00 H new ATOM 0 HG LEU A 651 -7.811 14.928 -18.815 1.00 25.00 H new ATOM 0 HD11 LEU A 651 -7.708 17.473 -19.005 1.00 25.00 H new ATOM 0 HD12 LEU A 651 -7.744 16.891 -17.323 1.00 25.00 H new ATOM 0 HD13 LEU A 651 -6.214 17.449 -18.040 1.00 25.00 H new ATOM 0 HD21 LEU A 651 -6.736 16.177 -20.782 1.00 25.00 H new ATOM 0 HD22 LEU A 651 -5.153 15.935 -20.006 1.00 25.00 H new ATOM 0 HD23 LEU A 651 -6.090 14.532 -20.572 1.00 25.00 H new ATOM 917 N PRO A 652 -6.448 14.933 -14.529 1.00 25.00 N ATOM 918 CA PRO A 652 -6.611 14.367 -13.185 1.00 25.00 C ATOM 919 C PRO A 652 -7.199 12.969 -13.216 1.00 25.00 C ATOM 920 O PRO A 652 -7.742 12.545 -14.227 1.00 25.00 O ATOM 921 CB PRO A 652 -7.600 15.336 -12.535 1.00 25.00 C ATOM 922 CG PRO A 652 -8.477 15.730 -13.657 1.00 25.00 C ATOM 923 CD PRO A 652 -7.535 15.888 -14.826 1.00 25.00 C ATOM 0 HA PRO A 652 -5.662 14.267 -12.659 1.00 25.00 H new ATOM 0 HB2 PRO A 652 -8.163 14.858 -11.733 1.00 25.00 H new ATOM 0 HB3 PRO A 652 -7.093 16.197 -12.100 1.00 25.00 H new ATOM 0 HG2 PRO A 652 -9.234 14.972 -13.856 1.00 25.00 H new ATOM 0 HG3 PRO A 652 -9.005 16.659 -13.443 1.00 25.00 H new ATOM 0 HD2 PRO A 652 -8.026 15.655 -15.771 1.00 25.00 H new ATOM 0 HD3 PRO A 652 -7.161 16.909 -14.904 1.00 25.00 H new ATOM 931 N SER A 653 -7.111 12.268 -12.096 1.00 25.00 N ATOM 932 CA SER A 653 -7.604 10.895 -11.980 1.00 25.00 C ATOM 933 C SER A 653 -9.069 10.684 -12.359 1.00 25.00 C ATOM 934 O SER A 653 -9.454 9.588 -12.734 1.00 25.00 O ATOM 935 CB SER A 653 -7.421 10.445 -10.540 1.00 25.00 C ATOM 936 OG SER A 653 -8.148 11.285 -9.657 1.00 25.00 O ATOM 0 H SER A 653 -6.696 12.631 -11.238 1.00 25.00 H new ATOM 0 HA SER A 653 -7.025 10.313 -12.696 1.00 25.00 H new ATOM 0 HB2 SER A 653 -7.758 9.414 -10.430 1.00 25.00 H new ATOM 0 HB3 SER A 653 -6.363 10.464 -10.279 1.00 25.00 H new ATOM 0 HG SER A 653 -8.020 10.979 -8.735 1.00 25.00 H new ATOM 942 N GLY A 654 -9.880 11.730 -12.251 1.00 25.00 N ATOM 943 CA GLY A 654 -11.298 11.620 -12.559 1.00 25.00 C ATOM 944 C GLY A 654 -11.650 11.869 -14.015 1.00 25.00 C ATOM 945 O GLY A 654 -12.824 11.932 -14.356 1.00 25.00 O ATOM 0 H GLY A 654 -9.581 12.659 -11.954 1.00 25.00 H new ATOM 0 HA2 GLY A 654 -11.640 10.623 -12.282 1.00 25.00 H new ATOM 0 HA3 GLY A 654 -11.847 12.329 -11.940 1.00 25.00 H new ATOM 949 N SER A 655 -10.653 12.025 -14.875 1.00 25.00 N ATOM 950 CA SER A 655 -10.909 12.264 -16.296 1.00 25.00 C ATOM 951 C SER A 655 -11.192 10.913 -16.966 1.00 25.00 C ATOM 952 O SER A 655 -10.336 10.038 -16.981 1.00 25.00 O ATOM 953 CB SER A 655 -9.705 12.959 -16.941 1.00 25.00 C ATOM 954 OG SER A 655 -10.063 13.635 -18.137 1.00 25.00 O ATOM 0 H SER A 655 -9.666 11.991 -14.621 1.00 25.00 H new ATOM 0 HA SER A 655 -11.771 12.919 -16.422 1.00 25.00 H new ATOM 0 HB2 SER A 655 -9.276 13.671 -16.236 1.00 25.00 H new ATOM 0 HB3 SER A 655 -8.933 12.221 -17.158 1.00 25.00 H new ATOM 0 HG SER A 655 -10.167 12.984 -18.862 1.00 25.00 H new ATOM 960 N ASP A 656 -12.393 10.746 -17.500 1.00 25.00 N ATOM 961 CA ASP A 656 -12.813 9.484 -18.129 1.00 25.00 C ATOM 962 C ASP A 656 -12.274 9.336 -19.548 1.00 25.00 C ATOM 963 O ASP A 656 -12.132 8.227 -20.069 1.00 25.00 O ATOM 964 CB ASP A 656 -14.342 9.429 -18.199 1.00 25.00 C ATOM 965 CG ASP A 656 -14.915 10.490 -19.128 1.00 25.00 C ATOM 966 OD1 ASP A 656 -15.574 10.135 -20.122 1.00 25.00 O ATOM 967 OD2 ASP A 656 -14.690 11.694 -18.871 1.00 25.00 O ATOM 0 H ASP A 656 -13.108 11.473 -17.514 1.00 25.00 H new ATOM 0 HA ASP A 656 -12.412 8.676 -17.517 1.00 25.00 H new ATOM 0 HB2 ASP A 656 -14.653 8.442 -18.542 1.00 25.00 H new ATOM 0 HB3 ASP A 656 -14.755 9.563 -17.199 1.00 25.00 H new ATOM 972 N HIS A 657 -11.974 10.463 -20.170 1.00 25.00 N ATOM 973 CA HIS A 657 -11.427 10.493 -21.515 1.00 25.00 C ATOM 974 C HIS A 657 -10.551 11.728 -21.591 1.00 25.00 C ATOM 975 O HIS A 657 -10.558 12.555 -20.676 1.00 25.00 O ATOM 976 CB HIS A 657 -12.543 10.559 -22.568 1.00 25.00 C ATOM 977 CG HIS A 657 -13.236 11.884 -22.633 1.00 25.00 C ATOM 978 ND1 HIS A 657 -14.274 12.261 -21.820 1.00 25.00 N ATOM 979 CD2 HIS A 657 -13.026 12.953 -23.452 1.00 25.00 C ATOM 980 CE1 HIS A 657 -14.633 13.497 -22.147 1.00 25.00 C ATOM 981 NE2 HIS A 657 -13.903 13.971 -23.138 1.00 25.00 N ATOM 0 H HIS A 657 -12.103 11.386 -19.755 1.00 25.00 H new ATOM 0 HA HIS A 657 -10.858 9.587 -21.721 1.00 25.00 H new ATOM 0 HB2 HIS A 657 -12.120 10.333 -23.547 1.00 25.00 H new ATOM 0 HB3 HIS A 657 -13.279 9.785 -22.352 1.00 25.00 H new ATOM 0 HD2 HIS A 657 -12.281 12.997 -24.233 1.00 25.00 H new ATOM 0 HE1 HIS A 657 -15.426 14.047 -21.661 1.00 25.00 H new ATOM 0 HE2 HIS A 657 -13.972 14.889 -23.576 1.00 25.00 H new ATOM 989 N VAL A 658 -9.810 11.866 -22.675 1.00 25.00 N ATOM 990 CA VAL A 658 -8.995 13.052 -22.906 1.00 25.00 C ATOM 991 C VAL A 658 -9.225 13.471 -24.349 1.00 25.00 C ATOM 992 O VAL A 658 -9.129 12.657 -25.269 1.00 25.00 O ATOM 993 CB VAL A 658 -7.470 12.786 -22.615 1.00 25.00 C ATOM 994 CG1 VAL A 658 -7.050 11.382 -23.054 1.00 25.00 C ATOM 995 CG2 VAL A 658 -6.577 13.839 -23.309 1.00 25.00 C ATOM 0 H VAL A 658 -9.754 11.168 -23.416 1.00 25.00 H new ATOM 0 HA VAL A 658 -9.286 13.850 -22.222 1.00 25.00 H new ATOM 0 HB VAL A 658 -7.334 12.865 -21.536 1.00 25.00 H new ATOM 0 HG11 VAL A 658 -5.992 11.234 -22.838 1.00 25.00 H new ATOM 0 HG12 VAL A 658 -7.638 10.641 -22.513 1.00 25.00 H new ATOM 0 HG13 VAL A 658 -7.221 11.269 -24.125 1.00 25.00 H new ATOM 0 HG21 VAL A 658 -5.530 13.629 -23.090 1.00 25.00 H new ATOM 0 HG22 VAL A 658 -6.737 13.799 -24.386 1.00 25.00 H new ATOM 0 HG23 VAL A 658 -6.833 14.833 -22.941 1.00 25.00 H new ATOM 1005 N MET A 659 -9.545 14.739 -24.557 1.00 25.00 N ATOM 1006 CA MET A 659 -9.733 15.244 -25.909 1.00 25.00 C ATOM 1007 C MET A 659 -8.541 16.080 -26.340 1.00 25.00 C ATOM 1008 O MET A 659 -8.363 17.227 -25.905 1.00 25.00 O ATOM 1009 CB MET A 659 -11.015 16.050 -26.045 1.00 25.00 C ATOM 1010 CG MET A 659 -11.214 16.474 -27.475 1.00 25.00 C ATOM 1011 SD MET A 659 -12.886 16.800 -27.896 1.00 25.00 S ATOM 1012 CE MET A 659 -12.740 16.633 -29.663 1.00 25.00 C ATOM 0 H MET A 659 -9.679 15.429 -23.818 1.00 25.00 H new ATOM 0 HA MET A 659 -9.817 14.378 -26.565 1.00 25.00 H new ATOM 0 HB2 MET A 659 -11.865 15.453 -25.713 1.00 25.00 H new ATOM 0 HB3 MET A 659 -10.971 16.928 -25.401 1.00 25.00 H new ATOM 0 HG2 MET A 659 -10.621 17.369 -27.664 1.00 25.00 H new ATOM 0 HG3 MET A 659 -10.830 15.693 -28.132 1.00 25.00 H new ATOM 0 HE1 MET A 659 -12.833 17.613 -30.130 1.00 25.00 H new ATOM 0 HE2 MET A 659 -11.768 16.205 -29.909 1.00 25.00 H new ATOM 0 HE3 MET A 659 -13.529 15.979 -30.033 1.00 25.00 H new ATOM 1022 N LEU A 660 -7.726 15.506 -27.206 1.00 25.00 N ATOM 1023 CA LEU A 660 -6.554 16.190 -27.730 1.00 25.00 C ATOM 1024 C LEU A 660 -7.006 17.087 -28.856 1.00 25.00 C ATOM 1025 O LEU A 660 -8.051 16.858 -29.450 1.00 25.00 O ATOM 1026 CB LEU A 660 -5.532 15.188 -28.261 1.00 25.00 C ATOM 1027 CG LEU A 660 -4.925 14.242 -27.221 1.00 25.00 C ATOM 1028 CD1 LEU A 660 -3.957 13.328 -27.928 1.00 25.00 C ATOM 1029 CD2 LEU A 660 -4.204 15.012 -26.114 1.00 25.00 C ATOM 0 H LEU A 660 -7.855 14.560 -27.565 1.00 25.00 H new ATOM 0 HA LEU A 660 -6.082 16.767 -26.935 1.00 25.00 H new ATOM 0 HB2 LEU A 660 -6.008 14.588 -29.036 1.00 25.00 H new ATOM 0 HB3 LEU A 660 -4.723 15.741 -28.738 1.00 25.00 H new ATOM 0 HG LEU A 660 -5.723 13.669 -26.749 1.00 25.00 H new ATOM 0 HD11 LEU A 660 -3.510 12.643 -27.207 1.00 25.00 H new ATOM 0 HD12 LEU A 660 -4.487 12.757 -28.691 1.00 25.00 H new ATOM 0 HD13 LEU A 660 -3.173 13.922 -28.398 1.00 25.00 H new ATOM 0 HD21 LEU A 660 -3.786 14.308 -25.394 1.00 25.00 H new ATOM 0 HD22 LEU A 660 -3.401 15.607 -26.548 1.00 25.00 H new ATOM 0 HD23 LEU A 660 -4.911 15.671 -25.609 1.00 25.00 H new ATOM 1041 N LYS A 661 -6.216 18.107 -29.146 1.00 25.00 N ATOM 1042 CA LYS A 661 -6.506 19.058 -30.214 1.00 25.00 C ATOM 1043 C LYS A 661 -5.193 19.705 -30.557 1.00 25.00 C ATOM 1044 O LYS A 661 -4.171 19.308 -30.007 1.00 25.00 O ATOM 1045 CB LYS A 661 -7.552 20.094 -29.804 1.00 25.00 C ATOM 1046 CG LYS A 661 -7.084 21.076 -28.747 1.00 25.00 C ATOM 1047 CD LYS A 661 -8.259 21.736 -28.058 1.00 25.00 C ATOM 1048 CE LYS A 661 -8.648 20.939 -26.826 1.00 25.00 C ATOM 1049 NZ LYS A 661 -9.540 19.750 -27.101 1.00 25.00 N ATOM 0 H LYS A 661 -5.349 18.303 -28.646 1.00 25.00 H new ATOM 0 HA LYS A 661 -6.938 18.549 -31.075 1.00 25.00 H new ATOM 0 HB2 LYS A 661 -7.859 20.651 -30.689 1.00 25.00 H new ATOM 0 HB3 LYS A 661 -8.435 19.573 -29.433 1.00 25.00 H new ATOM 0 HG2 LYS A 661 -6.471 20.557 -28.010 1.00 25.00 H new ATOM 0 HG3 LYS A 661 -6.454 21.837 -29.207 1.00 25.00 H new ATOM 0 HD2 LYS A 661 -8.000 22.756 -27.775 1.00 25.00 H new ATOM 0 HD3 LYS A 661 -9.105 21.800 -28.743 1.00 25.00 H new ATOM 0 HE2 LYS A 661 -7.740 20.589 -26.334 1.00 25.00 H new ATOM 0 HE3 LYS A 661 -9.155 21.602 -26.125 1.00 25.00 H new ATOM 0 HZ1 LYS A 661 -10.312 19.727 -26.405 1.00 25.00 H new ATOM 0 HZ2 LYS A 661 -9.939 19.829 -28.058 1.00 25.00 H new ATOM 0 HZ3 LYS A 661 -8.983 18.874 -27.029 1.00 25.00 H new ATOM 1063 N SER A 662 -5.233 20.674 -31.457 1.00 25.00 N ATOM 1064 CA SER A 662 -4.022 21.339 -31.963 1.00 25.00 C ATOM 1065 C SER A 662 -3.067 20.267 -32.484 1.00 25.00 C ATOM 1066 O SER A 662 -1.916 20.169 -32.064 1.00 25.00 O ATOM 1067 CB SER A 662 -3.365 22.188 -30.869 1.00 25.00 C ATOM 1068 OG SER A 662 -4.304 23.105 -30.326 1.00 25.00 O ATOM 0 H SER A 662 -6.099 21.028 -31.863 1.00 25.00 H new ATOM 0 HA SER A 662 -4.283 22.018 -32.774 1.00 25.00 H new ATOM 0 HB2 SER A 662 -2.979 21.542 -30.080 1.00 25.00 H new ATOM 0 HB3 SER A 662 -2.514 22.730 -31.282 1.00 25.00 H new ATOM 0 HG SER A 662 -3.872 23.640 -29.627 1.00 25.00 H new ATOM 1074 N LEU A 663 -3.595 19.464 -33.397 1.00 25.00 N ATOM 1075 CA LEU A 663 -2.886 18.344 -33.999 1.00 25.00 C ATOM 1076 C LEU A 663 -3.168 18.380 -35.494 1.00 25.00 C ATOM 1077 O LEU A 663 -4.115 19.042 -35.928 1.00 25.00 O ATOM 1078 CB LEU A 663 -3.372 17.020 -33.370 1.00 25.00 C ATOM 1079 CG LEU A 663 -4.894 16.764 -33.228 1.00 25.00 C ATOM 1080 CD1 LEU A 663 -5.561 16.299 -34.510 1.00 25.00 C ATOM 1081 CD2 LEU A 663 -5.102 15.707 -32.142 1.00 25.00 C ATOM 0 H LEU A 663 -4.547 19.575 -33.747 1.00 25.00 H new ATOM 0 HA LEU A 663 -1.813 18.414 -33.823 1.00 25.00 H new ATOM 0 HB2 LEU A 663 -2.956 16.204 -33.961 1.00 25.00 H new ATOM 0 HB3 LEU A 663 -2.933 16.949 -32.375 1.00 25.00 H new ATOM 0 HG LEU A 663 -5.359 17.715 -32.969 1.00 25.00 H new ATOM 0 HD11 LEU A 663 -6.624 16.141 -34.330 1.00 25.00 H new ATOM 0 HD12 LEU A 663 -5.432 17.057 -35.283 1.00 25.00 H new ATOM 0 HD13 LEU A 663 -5.106 15.365 -34.839 1.00 25.00 H new ATOM 0 HD21 LEU A 663 -6.168 15.511 -32.025 1.00 25.00 H new ATOM 0 HD22 LEU A 663 -4.593 14.787 -32.428 1.00 25.00 H new ATOM 0 HD23 LEU A 663 -4.694 16.070 -31.199 1.00 25.00 H new ATOM 1093 N ASP A 664 -2.356 17.689 -36.274 1.00 25.00 N ATOM 1094 CA ASP A 664 -2.549 17.639 -37.720 1.00 25.00 C ATOM 1095 C ASP A 664 -3.787 16.787 -37.936 1.00 25.00 C ATOM 1096 O ASP A 664 -3.939 15.773 -37.281 1.00 25.00 O ATOM 1097 CB ASP A 664 -1.383 16.937 -38.433 1.00 25.00 C ATOM 1098 CG ASP A 664 -0.044 17.673 -38.296 1.00 25.00 C ATOM 1099 OD1 ASP A 664 0.166 18.475 -37.357 1.00 25.00 O ATOM 1100 OD2 ASP A 664 0.826 17.411 -39.143 1.00 25.00 O ATOM 0 H ASP A 664 -1.556 17.154 -35.935 1.00 25.00 H new ATOM 0 HA ASP A 664 -2.627 18.652 -38.116 1.00 25.00 H new ATOM 0 HB2 ASP A 664 -1.277 15.929 -38.031 1.00 25.00 H new ATOM 0 HB3 ASP A 664 -1.625 16.834 -39.491 1.00 25.00 H new ATOM 1105 N TRP A 665 -4.672 17.175 -38.838 1.00 25.00 N ATOM 1106 CA TRP A 665 -5.871 16.374 -39.092 1.00 25.00 C ATOM 1107 C TRP A 665 -5.892 15.761 -40.489 1.00 25.00 C ATOM 1108 O TRP A 665 -6.450 14.693 -40.677 1.00 25.00 O ATOM 1109 CB TRP A 665 -7.124 17.215 -38.850 1.00 25.00 C ATOM 1110 CG TRP A 665 -7.071 18.573 -39.477 1.00 25.00 C ATOM 1111 CD1 TRP A 665 -6.590 19.715 -38.923 1.00 25.00 C ATOM 1112 CD2 TRP A 665 -7.528 18.952 -40.790 1.00 25.00 C ATOM 1113 NE1 TRP A 665 -6.715 20.775 -39.764 1.00 25.00 N ATOM 1114 CE2 TRP A 665 -7.285 20.350 -40.931 1.00 25.00 C ATOM 1115 CE3 TRP A 665 -8.113 18.253 -41.864 1.00 25.00 C ATOM 1116 CZ2 TRP A 665 -7.617 21.060 -42.103 1.00 25.00 C ATOM 1117 CZ3 TRP A 665 -8.449 18.962 -43.045 1.00 25.00 C ATOM 1118 CH2 TRP A 665 -8.197 20.361 -43.150 1.00 25.00 C ATOM 0 H TRP A 665 -4.592 18.022 -39.400 1.00 25.00 H new ATOM 0 HA TRP A 665 -5.853 15.539 -38.391 1.00 25.00 H new ATOM 0 HB2 TRP A 665 -7.990 16.679 -39.238 1.00 25.00 H new ATOM 0 HB3 TRP A 665 -7.273 17.327 -37.776 1.00 25.00 H new ATOM 0 HD1 TRP A 665 -6.160 19.774 -37.934 1.00 25.00 H new ATOM 0 HE1 TRP A 665 -6.430 21.732 -39.558 1.00 25.00 H new ATOM 0 HE3 TRP A 665 -8.303 17.192 -41.789 1.00 25.00 H new ATOM 0 HZ2 TRP A 665 -7.425 22.120 -42.183 1.00 25.00 H new ATOM 0 HZ3 TRP A 665 -8.901 18.437 -43.874 1.00 25.00 H new ATOM 0 HH2 TRP A 665 -8.462 20.883 -44.058 1.00 25.00 H new ATOM 1129 N ASN A 666 -5.273 16.430 -41.456 1.00 25.00 N ATOM 1130 CA ASN A 666 -5.248 15.945 -42.843 1.00 25.00 C ATOM 1131 C ASN A 666 -3.991 15.111 -43.098 1.00 25.00 C ATOM 1132 O ASN A 666 -3.636 14.829 -44.238 1.00 25.00 O ATOM 1133 CB ASN A 666 -5.276 17.129 -43.816 1.00 25.00 C ATOM 1134 CG ASN A 666 -5.964 16.795 -45.111 1.00 25.00 C ATOM 1135 OD1 ASN A 666 -7.176 16.751 -45.191 1.00 25.00 O ATOM 1136 ND2 ASN A 666 -5.192 16.574 -46.127 1.00 25.00 N ATOM 0 H ASN A 666 -4.780 17.311 -41.311 1.00 25.00 H new ATOM 0 HA ASN A 666 -6.128 15.321 -43.002 1.00 25.00 H new ATOM 0 HB2 ASN A 666 -5.784 17.970 -43.345 1.00 25.00 H new ATOM 0 HB3 ASN A 666 -4.255 17.449 -44.023 1.00 25.00 H new ATOM 0 HD21 ASN A 666 -5.597 16.353 -47.037 1.00 25.00 H new ATOM 0 HD22 ASN A 666 -4.179 16.621 -46.017 1.00 25.00 H new ATOM 1143 N ALA A 667 -3.319 14.741 -42.020 1.00 25.00 N ATOM 1144 CA ALA A 667 -2.089 13.967 -42.081 1.00 25.00 C ATOM 1145 C ALA A 667 -2.124 13.079 -40.851 1.00 25.00 C ATOM 1146 O ALA A 667 -2.898 13.340 -39.928 1.00 25.00 O ATOM 1147 CB ALA A 667 -0.863 14.893 -42.062 1.00 25.00 C ATOM 0 H ALA A 667 -3.614 14.971 -41.071 1.00 25.00 H new ATOM 0 HA ALA A 667 -2.014 13.384 -42.999 1.00 25.00 H new ATOM 0 HB1 ALA A 667 0.046 14.294 -42.108 1.00 25.00 H new ATOM 0 HB2 ALA A 667 -0.900 15.563 -42.921 1.00 25.00 H new ATOM 0 HB3 ALA A 667 -0.864 15.480 -41.143 1.00 25.00 H new ATOM 1153 N GLU A 668 -1.308 12.040 -40.839 1.00 25.00 N ATOM 1154 CA GLU A 668 -1.330 11.072 -39.751 1.00 25.00 C ATOM 1155 C GLU A 668 -0.518 11.548 -38.559 1.00 25.00 C ATOM 1156 O GLU A 668 0.531 12.186 -38.704 1.00 25.00 O ATOM 1157 CB GLU A 668 -0.797 9.693 -40.200 1.00 25.00 C ATOM 1158 CG GLU A 668 -0.212 9.590 -41.633 1.00 25.00 C ATOM 1159 CD GLU A 668 -1.277 9.382 -42.714 1.00 25.00 C ATOM 1160 OE1 GLU A 668 -1.844 10.374 -43.214 1.00 25.00 O ATOM 1161 OE2 GLU A 668 -1.557 8.211 -43.060 1.00 25.00 O ATOM 0 H GLU A 668 -0.622 11.843 -41.568 1.00 25.00 H new ATOM 0 HA GLU A 668 -2.375 10.972 -39.456 1.00 25.00 H new ATOM 0 HB2 GLU A 668 -0.023 9.385 -39.497 1.00 25.00 H new ATOM 0 HB3 GLU A 668 -1.611 8.973 -40.115 1.00 25.00 H new ATOM 0 HG2 GLU A 668 0.347 10.499 -41.855 1.00 25.00 H new ATOM 0 HG3 GLU A 668 0.497 8.763 -41.669 1.00 25.00 H new ATOM 1168 N TYR A 669 -1.008 11.217 -37.378 1.00 25.00 N ATOM 1169 CA TYR A 669 -0.338 11.553 -36.135 1.00 25.00 C ATOM 1170 C TYR A 669 -0.443 10.382 -35.186 1.00 25.00 C ATOM 1171 O TYR A 669 -1.345 9.557 -35.313 1.00 25.00 O ATOM 1172 CB TYR A 669 -0.963 12.799 -35.511 1.00 25.00 C ATOM 1173 CG TYR A 669 -2.426 12.682 -35.188 1.00 25.00 C ATOM 1174 CD1 TYR A 669 -3.394 13.056 -36.133 1.00 25.00 C ATOM 1175 CD2 TYR A 669 -2.859 12.211 -33.932 1.00 25.00 C ATOM 1176 CE1 TYR A 669 -4.765 12.989 -35.833 1.00 25.00 C ATOM 1177 CE2 TYR A 669 -4.240 12.135 -33.627 1.00 25.00 C ATOM 1178 CZ TYR A 669 -5.177 12.535 -34.581 1.00 25.00 C ATOM 1179 OH TYR A 669 -6.507 12.493 -34.284 1.00 25.00 O ATOM 0 H TYR A 669 -1.883 10.707 -37.254 1.00 25.00 H new ATOM 0 HA TYR A 669 0.712 11.766 -36.336 1.00 25.00 H new ATOM 0 HB2 TYR A 669 -0.422 13.039 -34.595 1.00 25.00 H new ATOM 0 HB3 TYR A 669 -0.823 13.638 -36.193 1.00 25.00 H new ATOM 0 HD1 TYR A 669 -3.080 13.401 -37.107 1.00 25.00 H new ATOM 0 HD2 TYR A 669 -2.131 11.905 -33.195 1.00 25.00 H new ATOM 0 HE1 TYR A 669 -5.496 13.288 -36.569 1.00 25.00 H new ATOM 0 HE2 TYR A 669 -4.565 11.770 -32.664 1.00 25.00 H new ATOM 0 HH TYR A 669 -7.005 13.026 -34.939 1.00 25.00 H new ATOM 1189 N GLU A 670 0.486 10.311 -34.249 1.00 25.00 N ATOM 1190 CA GLU A 670 0.546 9.222 -33.282 1.00 25.00 C ATOM 1191 C GLU A 670 0.352 9.800 -31.886 1.00 25.00 C ATOM 1192 O GLU A 670 0.807 10.908 -31.587 1.00 25.00 O ATOM 1193 CB GLU A 670 1.884 8.471 -33.401 1.00 25.00 C ATOM 1194 CG GLU A 670 3.130 9.315 -33.102 1.00 25.00 C ATOM 1195 CD GLU A 670 4.419 8.603 -33.490 1.00 25.00 C ATOM 1196 OE1 GLU A 670 4.663 7.480 -33.001 1.00 25.00 O ATOM 1197 OE2 GLU A 670 5.199 9.179 -34.284 1.00 25.00 O ATOM 0 H GLU A 670 1.223 11.007 -34.135 1.00 25.00 H new ATOM 0 HA GLU A 670 -0.246 8.500 -33.481 1.00 25.00 H new ATOM 0 HB2 GLU A 670 1.868 7.620 -32.720 1.00 25.00 H new ATOM 0 HB3 GLU A 670 1.969 8.069 -34.411 1.00 25.00 H new ATOM 0 HG2 GLU A 670 3.064 10.260 -33.641 1.00 25.00 H new ATOM 0 HG3 GLU A 670 3.156 9.555 -32.039 1.00 25.00 H new ATOM 1204 N VAL A 671 -0.344 9.056 -31.042 1.00 25.00 N ATOM 1205 CA VAL A 671 -0.655 9.485 -29.680 1.00 25.00 C ATOM 1206 C VAL A 671 -0.238 8.412 -28.697 1.00 25.00 C ATOM 1207 O VAL A 671 -0.612 7.269 -28.863 1.00 25.00 O ATOM 1208 CB VAL A 671 -2.189 9.682 -29.509 1.00 25.00 C ATOM 1209 CG1 VAL A 671 -2.535 10.086 -28.066 1.00 25.00 C ATOM 1210 CG2 VAL A 671 -2.722 10.727 -30.499 1.00 25.00 C ATOM 0 H VAL A 671 -0.712 8.135 -31.279 1.00 25.00 H new ATOM 0 HA VAL A 671 -0.124 10.419 -29.496 1.00 25.00 H new ATOM 0 HB VAL A 671 -2.672 8.729 -29.723 1.00 25.00 H new ATOM 0 HG11 VAL A 671 -3.613 10.217 -27.974 1.00 25.00 H new ATOM 0 HG12 VAL A 671 -2.204 9.306 -27.380 1.00 25.00 H new ATOM 0 HG13 VAL A 671 -2.033 11.022 -27.820 1.00 25.00 H new ATOM 0 HG21 VAL A 671 -3.796 10.846 -30.359 1.00 25.00 H new ATOM 0 HG22 VAL A 671 -2.225 11.681 -30.323 1.00 25.00 H new ATOM 0 HG23 VAL A 671 -2.523 10.397 -31.519 1.00 25.00 H new ATOM 1220 N TYR A 672 0.511 8.792 -27.672 1.00 25.00 N ATOM 1221 CA TYR A 672 0.923 7.891 -26.597 1.00 25.00 C ATOM 1222 C TYR A 672 0.305 8.397 -25.312 1.00 25.00 C ATOM 1223 O TYR A 672 0.238 9.602 -25.079 1.00 25.00 O ATOM 1224 CB TYR A 672 2.441 7.882 -26.435 1.00 25.00 C ATOM 1225 CG TYR A 672 3.129 7.065 -27.488 1.00 25.00 C ATOM 1226 CD1 TYR A 672 3.630 5.781 -27.189 1.00 25.00 C ATOM 1227 CD2 TYR A 672 3.274 7.557 -28.793 1.00 25.00 C ATOM 1228 CE1 TYR A 672 4.258 4.997 -28.190 1.00 25.00 C ATOM 1229 CE2 TYR A 672 3.902 6.784 -29.794 1.00 25.00 C ATOM 1230 CZ TYR A 672 4.389 5.512 -29.488 1.00 25.00 C ATOM 1231 OH TYR A 672 4.987 4.770 -30.472 1.00 25.00 O ATOM 0 H TYR A 672 0.856 9.745 -27.559 1.00 25.00 H new ATOM 0 HA TYR A 672 0.597 6.878 -26.833 1.00 25.00 H new ATOM 0 HB2 TYR A 672 2.813 8.906 -26.474 1.00 25.00 H new ATOM 0 HB3 TYR A 672 2.695 7.488 -25.451 1.00 25.00 H new ATOM 0 HD1 TYR A 672 3.534 5.391 -26.187 1.00 25.00 H new ATOM 0 HD2 TYR A 672 2.900 8.541 -29.036 1.00 25.00 H new ATOM 0 HE1 TYR A 672 4.632 4.012 -27.955 1.00 25.00 H new ATOM 0 HE2 TYR A 672 4.005 7.176 -30.795 1.00 25.00 H new ATOM 0 HH TYR A 672 4.992 5.280 -31.309 1.00 25.00 H new ATOM 1241 N VAL A 673 -0.146 7.484 -24.475 1.00 25.00 N ATOM 1242 CA VAL A 673 -0.784 7.849 -23.221 1.00 25.00 C ATOM 1243 C VAL A 673 -0.348 6.851 -22.164 1.00 25.00 C ATOM 1244 O VAL A 673 -0.193 5.656 -22.448 1.00 25.00 O ATOM 1245 CB VAL A 673 -2.345 7.891 -23.401 1.00 25.00 C ATOM 1246 CG1 VAL A 673 -2.851 6.675 -24.206 1.00 25.00 C ATOM 1247 CG2 VAL A 673 -3.081 8.022 -22.046 1.00 25.00 C ATOM 0 H VAL A 673 -0.083 6.479 -24.640 1.00 25.00 H new ATOM 0 HA VAL A 673 -0.482 8.847 -22.903 1.00 25.00 H new ATOM 0 HB VAL A 673 -2.578 8.787 -23.976 1.00 25.00 H new ATOM 0 HG11 VAL A 673 -3.934 6.734 -24.313 1.00 25.00 H new ATOM 0 HG12 VAL A 673 -2.389 6.674 -25.193 1.00 25.00 H new ATOM 0 HG13 VAL A 673 -2.588 5.756 -23.682 1.00 25.00 H new ATOM 0 HG21 VAL A 673 -4.157 8.047 -22.217 1.00 25.00 H new ATOM 0 HG22 VAL A 673 -2.834 7.169 -21.414 1.00 25.00 H new ATOM 0 HG23 VAL A 673 -2.771 8.942 -21.551 1.00 25.00 H new ATOM 1257 N VAL A 674 -0.141 7.345 -20.951 1.00 25.00 N ATOM 1258 CA VAL A 674 0.198 6.511 -19.805 1.00 25.00 C ATOM 1259 C VAL A 674 -0.609 7.025 -18.622 1.00 25.00 C ATOM 1260 O VAL A 674 -1.060 8.178 -18.608 1.00 25.00 O ATOM 1261 CB VAL A 674 1.725 6.550 -19.449 1.00 25.00 C ATOM 1262 CG1 VAL A 674 2.553 5.906 -20.551 1.00 25.00 C ATOM 1263 CG2 VAL A 674 2.209 7.979 -19.217 1.00 25.00 C ATOM 0 H VAL A 674 -0.204 8.339 -20.733 1.00 25.00 H new ATOM 0 HA VAL A 674 -0.036 5.474 -20.047 1.00 25.00 H new ATOM 0 HB VAL A 674 1.855 5.986 -18.525 1.00 25.00 H new ATOM 0 HG11 VAL A 674 3.609 5.944 -20.283 1.00 25.00 H new ATOM 0 HG12 VAL A 674 2.248 4.867 -20.675 1.00 25.00 H new ATOM 0 HG13 VAL A 674 2.396 6.445 -21.486 1.00 25.00 H new ATOM 0 HG21 VAL A 674 3.271 7.968 -18.973 1.00 25.00 H new ATOM 0 HG22 VAL A 674 2.051 8.568 -20.120 1.00 25.00 H new ATOM 0 HG23 VAL A 674 1.651 8.423 -18.392 1.00 25.00 H new ATOM 1273 N ALA A 675 -0.776 6.174 -17.629 1.00 25.00 N ATOM 1274 CA ALA A 675 -1.480 6.523 -16.412 1.00 25.00 C ATOM 1275 C ALA A 675 -0.465 6.399 -15.291 1.00 25.00 C ATOM 1276 O ALA A 675 0.469 5.609 -15.389 1.00 25.00 O ATOM 1277 CB ALA A 675 -2.654 5.576 -16.197 1.00 25.00 C ATOM 0 H ALA A 675 -0.425 5.216 -17.644 1.00 25.00 H new ATOM 0 HA ALA A 675 -1.891 7.532 -16.455 1.00 25.00 H new ATOM 0 HB1 ALA A 675 -3.177 5.847 -15.280 1.00 25.00 H new ATOM 0 HB2 ALA A 675 -3.340 5.650 -17.041 1.00 25.00 H new ATOM 0 HB3 ALA A 675 -2.286 4.553 -16.117 1.00 25.00 H new ATOM 1283 N GLU A 676 -0.635 7.174 -14.242 1.00 25.00 N ATOM 1284 CA GLU A 676 0.270 7.145 -13.107 1.00 25.00 C ATOM 1285 C GLU A 676 -0.543 7.059 -11.828 1.00 25.00 C ATOM 1286 O GLU A 676 -1.572 7.715 -11.692 1.00 25.00 O ATOM 1287 CB GLU A 676 1.111 8.432 -13.125 1.00 25.00 C ATOM 1288 CG GLU A 676 2.081 8.605 -11.965 1.00 25.00 C ATOM 1289 CD GLU A 676 1.600 9.654 -10.979 1.00 25.00 C ATOM 1290 OE1 GLU A 676 0.605 9.409 -10.276 1.00 25.00 O ATOM 1291 OE2 GLU A 676 2.213 10.736 -10.915 1.00 25.00 O ATOM 0 H GLU A 676 -1.401 7.841 -14.149 1.00 25.00 H new ATOM 0 HA GLU A 676 0.931 6.280 -13.160 1.00 25.00 H new ATOM 0 HB2 GLU A 676 1.678 8.460 -14.055 1.00 25.00 H new ATOM 0 HB3 GLU A 676 0.434 9.286 -13.138 1.00 25.00 H new ATOM 0 HG2 GLU A 676 2.205 7.652 -11.450 1.00 25.00 H new ATOM 0 HG3 GLU A 676 3.060 8.890 -12.350 1.00 25.00 H new ATOM 1298 N ASN A 677 -0.079 6.266 -10.881 1.00 25.00 N ATOM 1299 CA ASN A 677 -0.656 6.272 -9.549 1.00 25.00 C ATOM 1300 C ASN A 677 0.526 6.427 -8.605 1.00 25.00 C ATOM 1301 O ASN A 677 1.672 6.335 -9.023 1.00 25.00 O ATOM 1302 CB ASN A 677 -1.594 5.067 -9.257 1.00 25.00 C ATOM 1303 CG ASN A 677 -0.875 3.744 -9.070 1.00 25.00 C ATOM 1304 OD1 ASN A 677 0.312 3.676 -8.851 1.00 25.00 O ATOM 1305 ND2 ASN A 677 -1.629 2.678 -9.138 1.00 25.00 N ATOM 0 H ASN A 677 0.693 5.611 -11.008 1.00 25.00 H new ATOM 0 HA ASN A 677 -1.354 7.099 -9.416 1.00 25.00 H new ATOM 0 HB2 ASN A 677 -2.173 5.282 -8.359 1.00 25.00 H new ATOM 0 HB3 ASN A 677 -2.304 4.968 -10.078 1.00 25.00 H new ATOM 0 HD21 ASN A 677 -1.219 1.754 -9.005 1.00 25.00 H new ATOM 0 HD22 ASN A 677 -2.628 2.771 -9.324 1.00 25.00 H new ATOM 1312 N GLN A 678 0.249 6.677 -7.339 1.00 25.00 N ATOM 1313 CA GLN A 678 1.293 6.935 -6.348 1.00 25.00 C ATOM 1314 C GLN A 678 2.242 5.747 -6.053 1.00 25.00 C ATOM 1315 O GLN A 678 3.121 5.857 -5.206 1.00 25.00 O ATOM 1316 CB GLN A 678 0.650 7.490 -5.070 1.00 25.00 C ATOM 1317 CG GLN A 678 -0.329 6.551 -4.396 1.00 25.00 C ATOM 1318 CD GLN A 678 -0.957 7.173 -3.177 1.00 25.00 C ATOM 1319 OE1 GLN A 678 -1.873 7.974 -3.287 1.00 25.00 O ATOM 1320 NE2 GLN A 678 -0.482 6.807 -2.018 1.00 25.00 N ATOM 0 H GLN A 678 -0.699 6.708 -6.964 1.00 25.00 H new ATOM 0 HA GLN A 678 1.957 7.678 -6.789 1.00 25.00 H new ATOM 0 HB2 GLN A 678 1.439 7.740 -4.361 1.00 25.00 H new ATOM 0 HB3 GLN A 678 0.134 8.419 -5.313 1.00 25.00 H new ATOM 0 HG2 GLN A 678 -1.110 6.272 -5.104 1.00 25.00 H new ATOM 0 HG3 GLN A 678 0.186 5.634 -4.111 1.00 25.00 H new ATOM 0 HE21 GLN A 678 0.284 6.135 -1.970 1.00 25.00 H new ATOM 0 HE22 GLN A 678 -0.877 7.193 -1.160 1.00 25.00 H new ATOM 1329 N GLN A 679 2.059 4.622 -6.741 1.00 25.00 N ATOM 1330 CA GLN A 679 2.942 3.459 -6.601 1.00 25.00 C ATOM 1331 C GLN A 679 3.754 3.182 -7.878 1.00 25.00 C ATOM 1332 O GLN A 679 4.723 2.431 -7.831 1.00 25.00 O ATOM 1333 CB GLN A 679 2.132 2.203 -6.275 1.00 25.00 C ATOM 1334 CG GLN A 679 1.988 1.914 -4.781 1.00 25.00 C ATOM 1335 CD GLN A 679 0.961 2.775 -4.060 1.00 25.00 C ATOM 1336 OE1 GLN A 679 1.146 3.123 -2.900 1.00 25.00 O ATOM 1337 NE2 GLN A 679 -0.119 3.100 -4.721 1.00 25.00 N ATOM 0 H GLN A 679 1.300 4.488 -7.409 1.00 25.00 H new ATOM 0 HA GLN A 679 3.630 3.696 -5.789 1.00 25.00 H new ATOM 0 HB2 GLN A 679 1.138 2.303 -6.711 1.00 25.00 H new ATOM 0 HB3 GLN A 679 2.605 1.346 -6.754 1.00 25.00 H new ATOM 0 HG2 GLN A 679 1.717 0.866 -4.653 1.00 25.00 H new ATOM 0 HG3 GLN A 679 2.958 2.053 -4.303 1.00 25.00 H new ATOM 0 HE21 GLN A 679 -0.238 2.792 -5.686 1.00 25.00 H new ATOM 0 HE22 GLN A 679 -0.842 3.662 -4.272 1.00 25.00 H new ATOM 1346 N GLY A 680 3.365 3.764 -9.007 1.00 25.00 N ATOM 1347 CA GLY A 680 4.068 3.512 -10.256 1.00 25.00 C ATOM 1348 C GLY A 680 3.268 3.931 -11.475 1.00 25.00 C ATOM 1349 O GLY A 680 2.253 4.618 -11.345 1.00 25.00 O ATOM 0 H GLY A 680 2.576 4.406 -9.082 1.00 25.00 H new ATOM 0 HA2 GLY A 680 5.017 4.048 -10.248 1.00 25.00 H new ATOM 0 HA3 GLY A 680 4.302 2.450 -10.328 1.00 25.00 H new ATOM 1353 N LYS A 681 3.711 3.543 -12.666 1.00 25.00 N ATOM 1354 CA LYS A 681 3.061 3.989 -13.908 1.00 25.00 C ATOM 1355 C LYS A 681 2.680 2.849 -14.829 1.00 25.00 C ATOM 1356 O LYS A 681 3.204 1.754 -14.746 1.00 25.00 O ATOM 1357 CB LYS A 681 3.955 4.972 -14.663 1.00 25.00 C ATOM 1358 CG LYS A 681 4.299 6.203 -13.840 1.00 25.00 C ATOM 1359 CD LYS A 681 4.596 7.424 -14.702 1.00 25.00 C ATOM 1360 CE LYS A 681 5.831 7.224 -15.562 1.00 25.00 C ATOM 1361 NZ LYS A 681 6.254 8.527 -16.180 1.00 25.00 N ATOM 0 H LYS A 681 4.511 2.925 -12.805 1.00 25.00 H new ATOM 0 HA LYS A 681 2.138 4.481 -13.601 1.00 25.00 H new ATOM 0 HB2 LYS A 681 4.875 4.468 -14.957 1.00 25.00 H new ATOM 0 HB3 LYS A 681 3.454 5.282 -15.580 1.00 25.00 H new ATOM 0 HG2 LYS A 681 3.470 6.430 -13.170 1.00 25.00 H new ATOM 0 HG3 LYS A 681 5.165 5.986 -13.214 1.00 25.00 H new ATOM 0 HD2 LYS A 681 3.739 7.634 -15.341 1.00 25.00 H new ATOM 0 HD3 LYS A 681 4.737 8.295 -14.062 1.00 25.00 H new ATOM 0 HE2 LYS A 681 6.643 6.821 -14.956 1.00 25.00 H new ATOM 0 HE3 LYS A 681 5.623 6.493 -16.344 1.00 25.00 H new ATOM 0 HZ1 LYS A 681 7.100 8.375 -16.766 1.00 25.00 H new ATOM 0 HZ2 LYS A 681 5.484 8.896 -16.774 1.00 25.00 H new ATOM 0 HZ3 LYS A 681 6.471 9.213 -15.429 1.00 25.00 H new ATOM 1375 N SER A 682 1.740 3.137 -15.707 1.00 25.00 N ATOM 1376 CA SER A 682 1.209 2.143 -16.619 1.00 25.00 C ATOM 1377 C SER A 682 2.083 1.969 -17.836 1.00 25.00 C ATOM 1378 O SER A 682 2.908 2.828 -18.164 1.00 25.00 O ATOM 1379 CB SER A 682 -0.185 2.563 -17.084 1.00 25.00 C ATOM 1380 OG SER A 682 -0.114 3.450 -18.191 1.00 25.00 O ATOM 0 H SER A 682 1.324 4.063 -15.809 1.00 25.00 H new ATOM 0 HA SER A 682 1.171 1.197 -16.079 1.00 25.00 H new ATOM 0 HB2 SER A 682 -0.760 1.679 -17.360 1.00 25.00 H new ATOM 0 HB3 SER A 682 -0.715 3.045 -16.262 1.00 25.00 H new ATOM 0 HG SER A 682 0.005 2.935 -19.016 1.00 25.00 H new ATOM 1386 N LYS A 683 1.880 0.865 -18.537 1.00 25.00 N ATOM 1387 CA LYS A 683 2.577 0.655 -19.802 1.00 25.00 C ATOM 1388 C LYS A 683 1.938 1.631 -20.778 1.00 25.00 C ATOM 1389 O LYS A 683 0.744 1.902 -20.680 1.00 25.00 O ATOM 1390 CB LYS A 683 2.401 -0.776 -20.312 1.00 25.00 C ATOM 1391 CG LYS A 683 3.418 -1.160 -21.399 1.00 25.00 C ATOM 1392 CD LYS A 683 3.126 -2.522 -22.031 1.00 25.00 C ATOM 1393 CE LYS A 683 3.400 -3.676 -21.063 1.00 25.00 C ATOM 1394 NZ LYS A 683 3.268 -5.003 -21.761 1.00 25.00 N ATOM 0 H LYS A 683 1.251 0.111 -18.261 1.00 25.00 H new ATOM 0 HA LYS A 683 3.649 0.814 -19.687 1.00 25.00 H new ATOM 0 HB2 LYS A 683 2.495 -1.468 -19.475 1.00 25.00 H new ATOM 0 HB3 LYS A 683 1.393 -0.892 -20.709 1.00 25.00 H new ATOM 0 HG2 LYS A 683 3.417 -0.396 -22.177 1.00 25.00 H new ATOM 0 HG3 LYS A 683 4.418 -1.173 -20.966 1.00 25.00 H new ATOM 0 HD2 LYS A 683 2.085 -2.557 -22.351 1.00 25.00 H new ATOM 0 HD3 LYS A 683 3.738 -2.645 -22.924 1.00 25.00 H new ATOM 0 HE2 LYS A 683 4.403 -3.577 -20.647 1.00 25.00 H new ATOM 0 HE3 LYS A 683 2.702 -3.629 -20.227 1.00 25.00 H new ATOM 0 HZ1 LYS A 683 3.458 -5.771 -21.086 1.00 25.00 H new ATOM 0 HZ2 LYS A 683 2.303 -5.103 -22.137 1.00 25.00 H new ATOM 0 HZ3 LYS A 683 3.951 -5.053 -22.543 1.00 25.00 H new ATOM 1408 N ALA A 684 2.714 2.147 -21.713 1.00 25.00 N ATOM 1409 CA ALA A 684 2.184 3.049 -22.722 1.00 25.00 C ATOM 1410 C ALA A 684 1.305 2.285 -23.703 1.00 25.00 C ATOM 1411 O ALA A 684 1.540 1.104 -23.970 1.00 25.00 O ATOM 1412 CB ALA A 684 3.342 3.711 -23.476 1.00 25.00 C ATOM 0 H ALA A 684 3.713 1.958 -21.796 1.00 25.00 H new ATOM 0 HA ALA A 684 1.582 3.814 -22.232 1.00 25.00 H new ATOM 0 HB1 ALA A 684 2.944 4.387 -24.233 1.00 25.00 H new ATOM 0 HB2 ALA A 684 3.959 4.273 -22.775 1.00 25.00 H new ATOM 0 HB3 ALA A 684 3.948 2.944 -23.958 1.00 25.00 H new ATOM 1418 N ALA A 685 0.326 2.978 -24.260 1.00 25.00 N ATOM 1419 CA ALA A 685 -0.483 2.444 -25.342 1.00 25.00 C ATOM 1420 C ALA A 685 -0.444 3.563 -26.366 1.00 25.00 C ATOM 1421 O ALA A 685 -0.328 4.732 -25.982 1.00 25.00 O ATOM 1422 CB ALA A 685 -1.912 2.149 -24.887 1.00 25.00 C ATOM 0 H ALA A 685 0.070 3.924 -23.976 1.00 25.00 H new ATOM 0 HA ALA A 685 -0.115 1.492 -25.726 1.00 25.00 H new ATOM 0 HB1 ALA A 685 -2.486 1.751 -25.724 1.00 25.00 H new ATOM 0 HB2 ALA A 685 -1.893 1.417 -24.080 1.00 25.00 H new ATOM 0 HB3 ALA A 685 -2.378 3.068 -24.532 1.00 25.00 H new ATOM 1428 N HIS A 686 -0.518 3.217 -27.640 1.00 25.00 N ATOM 1429 CA HIS A 686 -0.452 4.204 -28.702 1.00 25.00 C ATOM 1430 C HIS A 686 -1.409 3.889 -29.835 1.00 25.00 C ATOM 1431 O HIS A 686 -1.701 2.723 -30.097 1.00 25.00 O ATOM 1432 CB HIS A 686 0.972 4.327 -29.246 1.00 25.00 C ATOM 1433 CG HIS A 686 1.493 3.073 -29.876 1.00 25.00 C ATOM 1434 ND1 HIS A 686 2.183 2.098 -29.201 1.00 25.00 N ATOM 1435 CD2 HIS A 686 1.431 2.634 -31.164 1.00 25.00 C ATOM 1436 CE1 HIS A 686 2.495 1.136 -30.063 1.00 25.00 C ATOM 1437 NE2 HIS A 686 2.057 1.408 -31.274 1.00 25.00 N ATOM 0 H HIS A 686 -0.624 2.256 -27.964 1.00 25.00 H new ATOM 0 HA HIS A 686 -0.752 5.156 -28.264 1.00 25.00 H new ATOM 0 HB2 HIS A 686 1.001 5.130 -29.982 1.00 25.00 H new ATOM 0 HB3 HIS A 686 1.637 4.616 -28.432 1.00 25.00 H new ATOM 0 HD2 HIS A 686 0.962 3.166 -31.978 1.00 25.00 H new ATOM 0 HE1 HIS A 686 3.041 0.241 -29.802 1.00 25.00 H new ATOM 0 HE2 HIS A 686 2.158 0.837 -32.113 1.00 25.00 H new ATOM 1445 N PHE A 687 -1.905 4.928 -30.490 1.00 25.00 N ATOM 1446 CA PHE A 687 -2.777 4.761 -31.648 1.00 25.00 C ATOM 1447 C PHE A 687 -2.442 5.849 -32.663 1.00 25.00 C ATOM 1448 O PHE A 687 -1.869 6.879 -32.299 1.00 25.00 O ATOM 1449 CB PHE A 687 -4.264 4.764 -31.245 1.00 25.00 C ATOM 1450 CG PHE A 687 -4.891 6.134 -31.154 1.00 25.00 C ATOM 1451 CD1 PHE A 687 -4.736 6.929 -30.003 1.00 25.00 C ATOM 1452 CD2 PHE A 687 -5.670 6.624 -32.219 1.00 25.00 C ATOM 1453 CE1 PHE A 687 -5.368 8.203 -29.911 1.00 25.00 C ATOM 1454 CE2 PHE A 687 -6.301 7.885 -32.138 1.00 25.00 C ATOM 1455 CZ PHE A 687 -6.158 8.675 -30.983 1.00 25.00 C ATOM 0 H PHE A 687 -1.719 5.899 -30.240 1.00 25.00 H new ATOM 0 HA PHE A 687 -2.603 3.787 -32.105 1.00 25.00 H new ATOM 0 HB2 PHE A 687 -4.823 4.171 -31.968 1.00 25.00 H new ATOM 0 HB3 PHE A 687 -4.366 4.268 -30.280 1.00 25.00 H new ATOM 0 HD1 PHE A 687 -4.133 6.570 -29.182 1.00 25.00 H new ATOM 0 HD2 PHE A 687 -5.787 6.027 -33.111 1.00 25.00 H new ATOM 0 HE1 PHE A 687 -5.243 8.806 -29.024 1.00 25.00 H new ATOM 0 HE2 PHE A 687 -6.895 8.244 -32.965 1.00 25.00 H new ATOM 0 HZ PHE A 687 -6.648 9.635 -30.916 1.00 25.00 H new ATOM 1465 N VAL A 688 -2.771 5.601 -33.923 1.00 25.00 N ATOM 1466 CA VAL A 688 -2.450 6.509 -35.026 1.00 25.00 C ATOM 1467 C VAL A 688 -3.755 6.845 -35.737 1.00 25.00 C ATOM 1468 O VAL A 688 -4.594 5.963 -35.919 1.00 25.00 O ATOM 1469 CB VAL A 688 -1.449 5.827 -36.026 1.00 25.00 C ATOM 1470 CG1 VAL A 688 -1.106 6.752 -37.211 1.00 25.00 C ATOM 1471 CG2 VAL A 688 -0.153 5.428 -35.296 1.00 25.00 C ATOM 0 H VAL A 688 -3.271 4.761 -34.215 1.00 25.00 H new ATOM 0 HA VAL A 688 -1.974 7.413 -34.646 1.00 25.00 H new ATOM 0 HB VAL A 688 -1.939 4.936 -36.419 1.00 25.00 H new ATOM 0 HG11 VAL A 688 -0.411 6.244 -37.880 1.00 25.00 H new ATOM 0 HG12 VAL A 688 -2.018 7.000 -37.755 1.00 25.00 H new ATOM 0 HG13 VAL A 688 -0.646 7.667 -36.837 1.00 25.00 H new ATOM 0 HG21 VAL A 688 0.531 4.957 -36.001 1.00 25.00 H new ATOM 0 HG22 VAL A 688 0.316 6.317 -34.875 1.00 25.00 H new ATOM 0 HG23 VAL A 688 -0.388 4.727 -34.495 1.00 25.00 H new ATOM 1481 N PHE A 689 -3.941 8.101 -36.126 1.00 25.00 N ATOM 1482 CA PHE A 689 -5.178 8.520 -36.790 1.00 25.00 C ATOM 1483 C PHE A 689 -4.941 9.661 -37.782 1.00 25.00 C ATOM 1484 O PHE A 689 -3.952 10.378 -37.683 1.00 25.00 O ATOM 1485 CB PHE A 689 -6.190 8.960 -35.726 1.00 25.00 C ATOM 1486 CG PHE A 689 -7.556 9.272 -36.275 1.00 25.00 C ATOM 1487 CD1 PHE A 689 -7.939 10.605 -36.524 1.00 25.00 C ATOM 1488 CD2 PHE A 689 -8.465 8.238 -36.557 1.00 25.00 C ATOM 1489 CE1 PHE A 689 -9.219 10.908 -37.038 1.00 25.00 C ATOM 1490 CE2 PHE A 689 -9.745 8.528 -37.085 1.00 25.00 C ATOM 1491 CZ PHE A 689 -10.123 9.868 -37.322 1.00 25.00 C ATOM 0 H PHE A 689 -3.257 8.847 -35.996 1.00 25.00 H new ATOM 0 HA PHE A 689 -5.563 7.672 -37.357 1.00 25.00 H new ATOM 0 HB2 PHE A 689 -6.281 8.173 -34.978 1.00 25.00 H new ATOM 0 HB3 PHE A 689 -5.804 9.842 -35.215 1.00 25.00 H new ATOM 0 HD1 PHE A 689 -7.244 11.406 -36.319 1.00 25.00 H new ATOM 0 HD2 PHE A 689 -8.184 7.212 -36.369 1.00 25.00 H new ATOM 0 HE1 PHE A 689 -9.503 11.935 -37.213 1.00 25.00 H new ATOM 0 HE2 PHE A 689 -10.433 7.725 -37.307 1.00 25.00 H new ATOM 0 HZ PHE A 689 -11.102 10.093 -37.719 1.00 25.00 H new ATOM 1501 N ARG A 690 -5.872 9.810 -38.722 1.00 25.00 N ATOM 1502 CA ARG A 690 -5.897 10.894 -39.713 1.00 25.00 C ATOM 1503 C ARG A 690 -7.329 10.931 -40.209 1.00 25.00 C ATOM 1504 O ARG A 690 -8.012 9.911 -40.151 1.00 25.00 O ATOM 1505 CB ARG A 690 -4.938 10.661 -40.896 1.00 25.00 C ATOM 1506 CG ARG A 690 -4.542 9.210 -41.215 1.00 25.00 C ATOM 1507 CD ARG A 690 -5.313 8.613 -42.376 1.00 25.00 C ATOM 1508 NE ARG A 690 -4.346 8.041 -43.321 1.00 25.00 N ATOM 1509 CZ ARG A 690 -4.623 7.290 -44.373 1.00 25.00 C ATOM 1510 NH1 ARG A 690 -5.846 6.947 -44.697 1.00 25.00 N ATOM 1511 NH2 ARG A 690 -3.631 6.876 -45.106 1.00 25.00 N ATOM 0 H ARG A 690 -6.654 9.163 -38.822 1.00 25.00 H new ATOM 0 HA ARG A 690 -5.567 11.828 -39.259 1.00 25.00 H new ATOM 0 HB2 ARG A 690 -5.395 11.089 -41.788 1.00 25.00 H new ATOM 0 HB3 ARG A 690 -4.025 11.224 -40.704 1.00 25.00 H new ATOM 0 HG2 ARG A 690 -3.476 9.174 -41.440 1.00 25.00 H new ATOM 0 HG3 ARG A 690 -4.701 8.595 -40.329 1.00 25.00 H new ATOM 0 HD2 ARG A 690 -5.999 7.844 -42.022 1.00 25.00 H new ATOM 0 HD3 ARG A 690 -5.916 9.378 -42.865 1.00 25.00 H new ATOM 0 HE ARG A 690 -3.361 8.243 -43.148 1.00 25.00 H new ATOM 0 HH11 ARG A 690 -6.632 7.262 -44.128 1.00 25.00 H new ATOM 0 HH12 ARG A 690 -6.012 6.366 -45.518 1.00 25.00 H new ATOM 0 HH21 ARG A 690 -2.675 7.133 -44.862 1.00 25.00 H new ATOM 0 HH22 ARG A 690 -3.810 6.295 -45.925 1.00 25.00 H new ATOM 1525 N THR A 691 -7.788 12.076 -40.684 1.00 25.00 N ATOM 1526 CA THR A 691 -9.162 12.226 -41.169 1.00 25.00 C ATOM 1527 C THR A 691 -9.118 13.042 -42.463 1.00 25.00 C ATOM 1528 O THR A 691 -8.058 13.521 -42.848 1.00 25.00 O ATOM 1529 CB THR A 691 -10.071 12.886 -40.083 1.00 25.00 C ATOM 1530 OG1 THR A 691 -11.408 13.021 -40.574 1.00 25.00 O ATOM 1531 CG2 THR A 691 -9.555 14.251 -39.664 1.00 25.00 C ATOM 0 H THR A 691 -7.228 12.926 -40.747 1.00 25.00 H new ATOM 0 HA THR A 691 -9.602 11.250 -41.376 1.00 25.00 H new ATOM 0 HB THR A 691 -10.056 12.233 -39.211 1.00 25.00 H new ATOM 0 HG1 THR A 691 -11.969 13.434 -39.885 1.00 25.00 H new ATOM 0 HG21 THR A 691 -10.217 14.674 -38.908 1.00 25.00 H new ATOM 0 HG22 THR A 691 -8.551 14.150 -39.252 1.00 25.00 H new ATOM 0 HG23 THR A 691 -9.526 14.911 -40.531 1.00 25.00 H new ATOM 1539 N HIS A 692 -10.263 13.161 -43.132 1.00 25.00 N ATOM 1540 CA HIS A 692 -10.405 13.874 -44.417 1.00 25.00 C ATOM 1541 C HIS A 692 -9.466 13.342 -45.512 1.00 25.00 C ATOM 1542 O HIS A 692 -9.215 14.011 -46.518 1.00 25.00 O ATOM 1543 CB HIS A 692 -10.217 15.388 -44.230 1.00 25.00 C ATOM 1544 CG HIS A 692 -11.174 15.993 -43.249 1.00 25.00 C ATOM 1545 ND1 HIS A 692 -12.510 16.196 -43.493 1.00 25.00 N ATOM 1546 CD2 HIS A 692 -10.974 16.453 -41.985 1.00 25.00 C ATOM 1547 CE1 HIS A 692 -13.051 16.742 -42.405 1.00 25.00 C ATOM 1548 NE2 HIS A 692 -12.159 16.916 -41.453 1.00 25.00 N ATOM 0 H HIS A 692 -11.139 12.760 -42.797 1.00 25.00 H new ATOM 0 HA HIS A 692 -11.422 13.683 -44.760 1.00 25.00 H new ATOM 0 HB2 HIS A 692 -9.197 15.581 -43.897 1.00 25.00 H new ATOM 0 HB3 HIS A 692 -10.336 15.883 -45.194 1.00 25.00 H new ATOM 0 HD2 HIS A 692 -10.024 16.455 -41.472 1.00 25.00 H new ATOM 0 HE1 HIS A 692 -14.094 17.009 -42.315 1.00 25.00 H new ATOM 0 HE2 HIS A 692 -12.311 17.308 -40.524 1.00 25.00 H new ATOM 1556 N HIS A 693 -8.957 12.132 -45.323 1.00 25.00 N ATOM 1557 CA HIS A 693 -8.075 11.526 -46.307 1.00 25.00 C ATOM 1558 C HIS A 693 -8.907 11.281 -47.560 1.00 25.00 C ATOM 1559 O HIS A 693 -10.030 10.785 -47.484 1.00 25.00 O ATOM 1560 CB HIS A 693 -7.474 10.228 -45.775 1.00 25.00 C ATOM 1561 CG HIS A 693 -6.263 9.779 -46.531 1.00 25.00 C ATOM 1562 ND1 HIS A 693 -4.977 10.163 -46.231 1.00 25.00 N ATOM 1563 CD2 HIS A 693 -6.141 8.953 -47.610 1.00 25.00 C ATOM 1564 CE1 HIS A 693 -4.156 9.579 -47.094 1.00 25.00 C ATOM 1565 NE2 HIS A 693 -4.809 8.822 -47.954 1.00 25.00 N ATOM 0 H HIS A 693 -9.139 11.555 -44.502 1.00 25.00 H new ATOM 0 HA HIS A 693 -7.235 12.184 -46.532 1.00 25.00 H new ATOM 0 HB2 HIS A 693 -7.209 10.362 -44.726 1.00 25.00 H new ATOM 0 HB3 HIS A 693 -8.230 9.443 -45.815 1.00 25.00 H new ATOM 0 HD1 HIS A 693 -4.702 10.789 -45.475 1.00 25.00 H new ATOM 0 HD2 HIS A 693 -6.963 8.473 -48.120 1.00 25.00 H new ATOM 0 HE1 HIS A 693 -3.084 9.708 -47.092 1.00 25.00 H new ATOM 1573 N HIS A 694 -8.366 11.662 -48.701 1.00 25.00 N ATOM 1574 CA HIS A 694 -9.102 11.599 -49.956 1.00 25.00 C ATOM 1575 C HIS A 694 -9.247 10.167 -50.471 1.00 25.00 C ATOM 1576 O HIS A 694 -8.468 9.283 -50.132 1.00 25.00 O ATOM 1577 CB HIS A 694 -8.391 12.463 -51.000 1.00 25.00 C ATOM 1578 CG HIS A 694 -8.503 13.939 -50.746 1.00 25.00 C ATOM 1579 ND1 HIS A 694 -8.787 14.514 -49.525 1.00 25.00 N ATOM 1580 CD2 HIS A 694 -8.372 14.991 -51.603 1.00 25.00 C ATOM 1581 CE1 HIS A 694 -8.810 15.832 -49.681 1.00 25.00 C ATOM 1582 NE2 HIS A 694 -8.572 16.180 -50.929 1.00 25.00 N ATOM 0 H HIS A 694 -7.415 12.021 -48.788 1.00 25.00 H new ATOM 0 HA HIS A 694 -10.108 11.977 -49.775 1.00 25.00 H new ATOM 0 HB2 HIS A 694 -7.337 12.188 -51.028 1.00 25.00 H new ATOM 0 HB3 HIS A 694 -8.805 12.241 -51.984 1.00 25.00 H new ATOM 0 HD1 HIS A 694 -8.951 14.013 -48.652 1.00 25.00 H new ATOM 0 HD2 HIS A 694 -8.145 14.907 -52.656 1.00 25.00 H new ATOM 0 HE1 HIS A 694 -9.001 16.533 -48.882 1.00 25.00 H new ATOM 1590 N HIS A 695 -10.254 9.960 -51.315 1.00 25.00 N ATOM 1591 CA HIS A 695 -10.530 8.656 -51.933 1.00 25.00 C ATOM 1592 C HIS A 695 -9.590 8.398 -53.134 1.00 25.00 C ATOM 1593 O HIS A 695 -9.847 7.542 -53.982 1.00 25.00 O ATOM 1594 CB HIS A 695 -11.996 8.631 -52.399 1.00 25.00 C ATOM 1595 CG HIS A 695 -12.617 7.265 -52.382 1.00 25.00 C ATOM 1596 ND1 HIS A 695 -12.191 6.212 -53.148 1.00 25.00 N ATOM 1597 CD2 HIS A 695 -13.673 6.780 -51.671 1.00 25.00 C ATOM 1598 CE1 HIS A 695 -12.971 5.167 -52.893 1.00 25.00 C ATOM 1599 NE2 HIS A 695 -13.894 5.457 -52.000 1.00 25.00 N ATOM 0 H HIS A 695 -10.907 10.692 -51.594 1.00 25.00 H new ATOM 0 HA HIS A 695 -10.355 7.870 -51.198 1.00 25.00 H new ATOM 0 HB2 HIS A 695 -12.581 9.293 -51.761 1.00 25.00 H new ATOM 0 HB3 HIS A 695 -12.052 9.032 -53.411 1.00 25.00 H new ATOM 0 HD1 HIS A 695 -11.409 6.228 -53.802 1.00 25.00 H new ATOM 0 HD2 HIS A 695 -14.252 7.346 -50.956 1.00 25.00 H new ATOM 0 HE1 HIS A 695 -12.861 4.200 -53.360 1.00 25.00 H new ATOM 1607 N HIS A 696 -8.510 9.158 -53.201 1.00 25.00 N ATOM 1608 CA HIS A 696 -7.537 9.062 -54.277 1.00 25.00 C ATOM 1609 C HIS A 696 -6.238 9.537 -53.652 1.00 25.00 C ATOM 1610 O HIS A 696 -6.277 10.377 -52.751 1.00 25.00 O ATOM 1611 CB HIS A 696 -7.941 9.963 -55.447 1.00 25.00 C ATOM 1612 CG HIS A 696 -7.291 9.590 -56.742 1.00 25.00 C ATOM 1613 ND1 HIS A 696 -7.744 8.593 -57.570 1.00 25.00 N ATOM 1614 CD2 HIS A 696 -6.193 10.098 -57.368 1.00 25.00 C ATOM 1615 CE1 HIS A 696 -6.942 8.535 -58.628 1.00 25.00 C ATOM 1616 NE2 HIS A 696 -5.984 9.434 -58.562 1.00 25.00 N ATOM 0 H HIS A 696 -8.281 9.866 -52.503 1.00 25.00 H new ATOM 0 HA HIS A 696 -7.456 8.053 -54.681 1.00 25.00 H new ATOM 0 HB2 HIS A 696 -9.023 9.923 -55.569 1.00 25.00 H new ATOM 0 HB3 HIS A 696 -7.685 10.995 -55.205 1.00 25.00 H new ATOM 0 HD2 HIS A 696 -5.578 10.900 -56.988 1.00 25.00 H new ATOM 0 HE1 HIS A 696 -7.062 7.836 -59.442 1.00 25.00 H new ATOM 0 HE2 HIS A 696 -5.246 9.604 -59.245 1.00 25.00 H new ATOM 1624 N HIS A 697 -5.116 9.000 -54.103 1.00 25.00 N ATOM 1625 CA HIS A 697 -3.813 9.319 -53.537 1.00 25.00 C ATOM 1626 C HIS A 697 -2.830 9.386 -54.694 1.00 25.00 C ATOM 1627 O HIS A 697 -1.987 10.299 -54.733 1.00 25.00 O ATOM 1628 CB HIS A 697 -3.406 8.219 -52.551 1.00 25.00 C ATOM 1629 CG HIS A 697 -2.342 8.637 -51.585 1.00 25.00 C ATOM 1630 ND1 HIS A 697 -2.579 8.972 -50.277 1.00 25.00 N ATOM 1631 CD2 HIS A 697 -0.997 8.773 -51.748 1.00 25.00 C ATOM 1632 CE1 HIS A 697 -1.418 9.281 -49.709 1.00 25.00 C ATOM 1633 NE2 HIS A 697 -0.415 9.170 -50.556 1.00 25.00 N ATOM 1634 OXT HIS A 697 -2.945 8.494 -55.563 1.00 25.00 O ATOM 0 H HIS A 697 -5.082 8.331 -54.872 1.00 25.00 H new ATOM 0 HA HIS A 697 -3.832 10.267 -52.999 1.00 25.00 H new ATOM 0 HB2 HIS A 697 -4.286 7.901 -51.992 1.00 25.00 H new ATOM 0 HB3 HIS A 697 -3.054 7.353 -53.112 1.00 25.00 H new ATOM 0 HD1 HIS A 697 -3.490 8.982 -49.818 1.00 25.00 H new ATOM 0 HD2 HIS A 697 -0.463 8.597 -52.670 1.00 25.00 H new ATOM 0 HE1 HIS A 697 -1.310 9.586 -48.679 1.00 25.00 H new TER 1642 HIS A 697