USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 839 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 Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 30:sc= -0.606 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -106:sc= 1.71 (180deg=-2.08!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN :FLIP amide:sc= -2.44! C(o=-5.5!,f=-2.4!) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 49 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.256) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -163:sc= -0.0353 (180deg=-0.407) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HE2:sc= 0.97 K(o=0.97,f=-3.8!) USER MOD Single : A 75 ASN :FLIP amide:sc= -3.34! C(o=-7.7!,f=-3.3!) USER MOD Single : A 82 GLN : amide:sc=-0.00962 K(o=-0.0096,f=-1.5) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -2.51 K(o=-2.5,f=-3) USER MOD Single : A 91 LYS NZ :NH3+ 168:sc= 0.224 (180deg=0.158) USER MOD Single : A 97 HIS : no HD1:sc= -0.221 X(o=-0.22,f=-0.084) USER MOD Single : A 99 MET CE :methyl 157:sc= -0.106 (180deg=-0.86) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 15 -18.796 -18.567 3.762 1.00 0.00 N ATOM 2 CA LYS A 15 -17.717 -18.360 2.758 1.00 0.00 C ATOM 3 C LYS A 15 -18.347 -18.232 1.376 1.00 0.00 C ATOM 4 O LYS A 15 -18.404 -17.142 0.823 1.00 0.00 O ATOM 5 CB LYS A 15 -16.743 -19.543 2.813 1.00 0.00 C ATOM 6 CG LYS A 15 -15.556 -19.297 1.875 1.00 0.00 C ATOM 7 CD LYS A 15 -14.574 -20.466 1.990 1.00 0.00 C ATOM 8 CE LYS A 15 -13.383 -20.234 1.061 1.00 0.00 C ATOM 9 NZ LYS A 15 -12.428 -21.366 1.210 1.00 0.00 N ATOM 0 HA LYS A 15 -17.162 -17.447 2.975 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -16.386 -19.682 3.834 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -17.258 -20.460 2.527 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.904 -19.198 0.847 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -15.059 -18.362 2.135 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.230 -20.564 3.020 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.073 -21.399 1.730 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -13.720 -20.159 0.027 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.892 -19.292 1.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.613 -21.218 0.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.100 -21.416 2.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -12.903 -22.256 0.957 1.00 0.00 H new ATOM 23 N GLU A 16 -18.949 -19.318 0.906 1.00 0.00 N ATOM 24 CA GLU A 16 -19.596 -19.329 -0.407 1.00 0.00 C ATOM 25 C GLU A 16 -20.814 -18.404 -0.437 1.00 0.00 C ATOM 26 O GLU A 16 -21.011 -17.664 -1.403 1.00 0.00 O ATOM 27 CB GLU A 16 -20.011 -20.763 -0.749 1.00 0.00 C ATOM 28 CG GLU A 16 -20.613 -20.836 -2.155 1.00 0.00 C ATOM 29 CD GLU A 16 -20.981 -22.274 -2.531 1.00 0.00 C ATOM 30 OE1 GLU A 16 -21.190 -23.081 -1.638 1.00 0.00 O ATOM 31 OE2 GLU A 16 -21.249 -22.491 -3.699 1.00 0.00 O ATOM 0 H GLU A 16 -19.004 -20.203 1.411 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.887 -18.961 -1.149 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -19.145 -21.422 -0.685 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -20.737 -21.120 -0.019 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -21.501 -20.206 -2.205 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.900 -20.440 -2.879 1.00 0.00 H new ATOM 38 N ARG A 17 -21.593 -18.412 0.643 1.00 0.00 N ATOM 39 CA ARG A 17 -22.805 -17.605 0.717 1.00 0.00 C ATOM 40 C ARG A 17 -22.506 -16.114 0.656 1.00 0.00 C ATOM 41 O ARG A 17 -23.156 -15.362 -0.074 1.00 0.00 O ATOM 42 CB ARG A 17 -23.539 -17.891 2.029 1.00 0.00 C ATOM 43 CG ARG A 17 -24.853 -17.109 2.087 1.00 0.00 C ATOM 44 CD ARG A 17 -25.557 -17.403 3.412 1.00 0.00 C ATOM 45 NE ARG A 17 -26.799 -16.648 3.498 1.00 0.00 N ATOM 46 CZ ARG A 17 -27.986 -17.204 3.243 1.00 0.00 C ATOM 47 NH1 ARG A 17 -28.067 -18.435 2.801 1.00 0.00 N ATOM 48 NH2 ARG A 17 -29.030 -16.424 3.165 1.00 0.00 N ATOM 0 H ARG A 17 -21.405 -18.968 1.477 1.00 0.00 H new ATOM 0 HA ARG A 17 -23.420 -17.873 -0.142 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -23.740 -18.959 2.115 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -22.907 -17.616 2.874 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -24.658 -16.041 1.995 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -25.494 -17.390 1.251 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -25.765 -18.470 3.493 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -24.905 -17.141 4.245 1.00 0.00 H new ATOM 0 HE ARG A 17 -26.761 -15.663 3.761 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -27.218 -18.979 2.648 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -28.979 -18.849 2.610 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -28.926 -15.418 3.298 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -29.950 -16.821 2.971 1.00 0.00 H new ATOM 62 N ILE A 18 -21.497 -15.679 1.401 1.00 0.00 N ATOM 63 CA ILE A 18 -21.087 -14.278 1.410 1.00 0.00 C ATOM 64 C ILE A 18 -20.490 -13.889 0.057 1.00 0.00 C ATOM 65 O ILE A 18 -20.550 -12.722 -0.348 1.00 0.00 O ATOM 66 CB ILE A 18 -20.158 -13.982 2.597 1.00 0.00 C ATOM 67 CG1 ILE A 18 -19.949 -12.467 2.734 1.00 0.00 C ATOM 68 CG2 ILE A 18 -18.813 -14.690 2.435 1.00 0.00 C ATOM 69 CD1 ILE A 18 -19.313 -12.148 4.090 1.00 0.00 C ATOM 0 H ILE A 18 -20.944 -16.280 2.011 1.00 0.00 H new ATOM 0 HA ILE A 18 -21.965 -13.648 1.555 1.00 0.00 H new ATOM 0 HB ILE A 18 -20.630 -14.362 3.503 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -19.310 -12.105 1.929 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -20.904 -11.950 2.640 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -18.176 -14.462 3.290 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -18.973 -15.767 2.379 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -18.329 -14.347 1.521 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -19.168 -11.071 4.180 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -19.968 -12.494 4.890 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -18.349 -12.652 4.167 1.00 0.00 H new ATOM 81 N ASP A 19 -19.731 -14.831 -0.510 1.00 0.00 N ATOM 82 CA ASP A 19 -18.990 -14.622 -1.753 1.00 0.00 C ATOM 83 C ASP A 19 -19.944 -14.317 -2.897 1.00 0.00 C ATOM 84 O ASP A 19 -19.629 -13.514 -3.761 1.00 0.00 O ATOM 85 CB ASP A 19 -18.182 -15.882 -2.070 1.00 0.00 C ATOM 86 CG ASP A 19 -16.855 -15.901 -1.330 1.00 0.00 C ATOM 87 OD1 ASP A 19 -16.488 -14.899 -0.723 1.00 0.00 O ATOM 88 OD2 ASP A 19 -16.279 -16.973 -1.220 1.00 0.00 O ATOM 0 H ASP A 19 -19.614 -15.764 -0.116 1.00 0.00 H new ATOM 0 HA ASP A 19 -18.318 -13.773 -1.632 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -18.762 -16.764 -1.799 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -18.001 -15.937 -3.143 1.00 0.00 H new ATOM 93 N ILE A 20 -21.078 -15.016 -2.915 1.00 0.00 N ATOM 94 CA ILE A 20 -22.106 -14.781 -3.925 1.00 0.00 C ATOM 95 C ILE A 20 -22.673 -13.368 -3.800 1.00 0.00 C ATOM 96 O ILE A 20 -22.725 -12.622 -4.775 1.00 0.00 O ATOM 97 CB ILE A 20 -23.228 -15.800 -3.752 1.00 0.00 C ATOM 98 CG1 ILE A 20 -22.714 -17.204 -4.096 1.00 0.00 C ATOM 99 CG2 ILE A 20 -24.413 -15.452 -4.670 1.00 0.00 C ATOM 100 CD1 ILE A 20 -23.740 -18.246 -3.631 1.00 0.00 C ATOM 0 H ILE A 20 -21.307 -15.748 -2.243 1.00 0.00 H new ATOM 0 HA ILE A 20 -21.658 -14.888 -4.913 1.00 0.00 H new ATOM 0 HB ILE A 20 -23.562 -15.777 -2.715 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -22.551 -17.291 -5.170 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -21.753 -17.381 -3.612 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -25.206 -16.188 -4.536 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -24.791 -14.461 -4.417 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -24.083 -15.460 -5.709 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -23.379 -19.245 -3.873 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -23.881 -18.162 -2.553 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -24.690 -18.071 -4.135 1.00 0.00 H new ATOM 112 N LEU A 21 -22.934 -12.974 -2.559 1.00 0.00 N ATOM 113 CA LEU A 21 -23.459 -11.649 -2.263 1.00 0.00 C ATOM 114 C LEU A 21 -22.451 -10.580 -2.685 1.00 0.00 C ATOM 115 O LEU A 21 -22.835 -9.479 -3.086 1.00 0.00 O ATOM 116 CB LEU A 21 -23.835 -11.549 -0.783 1.00 0.00 C ATOM 117 CG LEU A 21 -24.411 -10.165 -0.463 1.00 0.00 C ATOM 118 CD1 LEU A 21 -25.622 -9.867 -1.353 1.00 0.00 C ATOM 119 CD2 LEU A 21 -24.869 -10.138 0.997 1.00 0.00 C ATOM 0 H LEU A 21 -22.789 -13.560 -1.737 1.00 0.00 H new ATOM 0 HA LEU A 21 -24.370 -11.478 -2.837 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -24.566 -12.319 -0.535 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -22.956 -11.734 -0.166 1.00 0.00 H new ATOM 0 HG LEU A 21 -23.638 -9.417 -0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -26.017 -8.880 -1.111 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -25.319 -9.890 -2.400 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -26.393 -10.618 -1.182 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -25.280 -9.156 1.231 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -25.635 -10.898 1.152 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -24.019 -10.341 1.649 1.00 0.00 H new ATOM 131 N PHE A 22 -21.173 -10.851 -2.429 1.00 0.00 N ATOM 132 CA PHE A 22 -20.100 -9.929 -2.781 1.00 0.00 C ATOM 133 C PHE A 22 -20.125 -9.644 -4.279 1.00 0.00 C ATOM 134 O PHE A 22 -19.862 -8.519 -4.692 1.00 0.00 O ATOM 135 CB PHE A 22 -18.756 -10.561 -2.410 1.00 0.00 C ATOM 136 CG PHE A 22 -17.616 -9.626 -2.749 1.00 0.00 C ATOM 137 CD1 PHE A 22 -17.097 -8.778 -1.761 1.00 0.00 C ATOM 138 CD2 PHE A 22 -16.867 -9.849 -3.914 1.00 0.00 C ATOM 139 CE1 PHE A 22 -16.011 -7.945 -2.066 1.00 0.00 C ATOM 140 CE2 PHE A 22 -15.766 -9.036 -4.204 1.00 0.00 C ATOM 141 CZ PHE A 22 -15.263 -8.173 -3.224 1.00 0.00 C ATOM 0 H PHE A 22 -20.856 -11.708 -1.976 1.00 0.00 H new ATOM 0 HA PHE A 22 -20.237 -8.994 -2.238 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -18.739 -10.793 -1.345 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -18.632 -11.503 -2.944 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -17.530 -8.766 -0.772 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -17.140 -10.648 -4.587 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -15.753 -7.129 -1.407 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -15.306 -9.074 -5.180 1.00 0.00 H new ATOM 0 HZ PHE A 22 -14.307 -7.689 -3.361 1.00 0.00 H new ATOM 151 N SER A 23 -20.282 -10.695 -5.076 1.00 0.00 N ATOM 152 CA SER A 23 -20.389 -10.532 -6.523 1.00 0.00 C ATOM 153 C SER A 23 -21.597 -9.665 -6.876 1.00 0.00 C ATOM 154 O SER A 23 -21.487 -8.767 -7.710 1.00 0.00 O ATOM 155 CB SER A 23 -20.521 -11.902 -7.196 1.00 0.00 C ATOM 156 OG SER A 23 -20.582 -11.747 -8.607 1.00 0.00 O ATOM 0 H SER A 23 -20.338 -11.660 -4.750 1.00 0.00 H new ATOM 0 HA SER A 23 -19.486 -10.039 -6.884 1.00 0.00 H new ATOM 0 HB2 SER A 23 -19.673 -12.531 -6.927 1.00 0.00 H new ATOM 0 HB3 SER A 23 -21.418 -12.407 -6.838 1.00 0.00 H new ATOM 0 HG SER A 23 -20.665 -12.627 -9.030 1.00 0.00 H new ATOM 162 N LEU A 24 -22.727 -9.907 -6.213 1.00 0.00 N ATOM 163 CA LEU A 24 -23.937 -9.119 -6.452 1.00 0.00 C ATOM 164 C LEU A 24 -23.707 -7.659 -6.084 1.00 0.00 C ATOM 165 O LEU A 24 -23.968 -6.770 -6.891 1.00 0.00 O ATOM 166 CB LEU A 24 -25.106 -9.657 -5.618 1.00 0.00 C ATOM 167 CG LEU A 24 -25.557 -11.024 -6.141 1.00 0.00 C ATOM 168 CD1 LEU A 24 -26.542 -11.640 -5.146 1.00 0.00 C ATOM 169 CD2 LEU A 24 -26.244 -10.867 -7.502 1.00 0.00 C ATOM 0 H LEU A 24 -22.831 -10.638 -5.510 1.00 0.00 H new ATOM 0 HA LEU A 24 -24.178 -9.196 -7.512 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -24.806 -9.742 -4.574 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -25.939 -8.955 -5.654 1.00 0.00 H new ATOM 0 HG LEU A 24 -24.687 -11.670 -6.254 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -26.868 -12.614 -5.512 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -26.055 -11.760 -4.179 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -27.407 -10.985 -5.038 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -26.561 -11.845 -7.865 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -27.114 -10.219 -7.398 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -25.546 -10.425 -8.213 1.00 0.00 H new ATOM 181 N ALA A 25 -23.024 -7.452 -4.962 1.00 0.00 N ATOM 182 CA ALA A 25 -22.692 -6.106 -4.514 1.00 0.00 C ATOM 183 C ALA A 25 -21.766 -5.426 -5.518 1.00 0.00 C ATOM 184 O ALA A 25 -21.760 -4.201 -5.635 1.00 0.00 O ATOM 185 CB ALA A 25 -22.021 -6.164 -3.138 1.00 0.00 C ATOM 0 H ALA A 25 -22.691 -8.197 -4.349 1.00 0.00 H new ATOM 0 HA ALA A 25 -23.611 -5.525 -4.438 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -21.776 -5.154 -2.810 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -22.701 -6.624 -2.421 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -21.108 -6.756 -3.203 1.00 0.00 H new ATOM 191 N GLU A 26 -20.845 -6.207 -6.075 1.00 0.00 N ATOM 192 CA GLU A 26 -19.880 -5.681 -7.032 1.00 0.00 C ATOM 193 C GLU A 26 -20.549 -5.237 -8.332 1.00 0.00 C ATOM 194 O GLU A 26 -20.077 -4.296 -8.964 1.00 0.00 O ATOM 195 CB GLU A 26 -18.831 -6.759 -7.322 1.00 0.00 C ATOM 196 CG GLU A 26 -17.749 -6.233 -8.273 1.00 0.00 C ATOM 197 CD GLU A 26 -16.666 -7.288 -8.520 1.00 0.00 C ATOM 198 OE1 GLU A 26 -16.927 -8.466 -8.318 1.00 0.00 O ATOM 199 OE2 GLU A 26 -15.642 -6.914 -9.070 1.00 0.00 O ATOM 0 H GLU A 26 -20.748 -7.203 -5.880 1.00 0.00 H new ATOM 0 HA GLU A 26 -19.408 -4.801 -6.596 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -18.372 -7.085 -6.389 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -19.314 -7.632 -7.762 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -18.203 -5.946 -9.221 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -17.296 -5.335 -7.852 1.00 0.00 H new ATOM 206 N ARG A 27 -21.482 -6.048 -8.834 1.00 0.00 N ATOM 207 CA ARG A 27 -22.189 -5.722 -10.072 1.00 0.00 C ATOM 208 C ARG A 27 -23.060 -4.474 -9.945 1.00 0.00 C ATOM 209 O ARG A 27 -23.159 -3.672 -10.876 1.00 0.00 O ATOM 210 CB ARG A 27 -23.057 -6.905 -10.510 1.00 0.00 C ATOM 211 CG ARG A 27 -23.724 -6.573 -11.851 1.00 0.00 C ATOM 212 CD ARG A 27 -24.615 -7.731 -12.307 1.00 0.00 C ATOM 213 NE ARG A 27 -25.125 -7.465 -13.647 1.00 0.00 N ATOM 214 CZ ARG A 27 -26.245 -6.769 -13.851 1.00 0.00 C ATOM 215 NH1 ARG A 27 -26.875 -6.206 -12.846 1.00 0.00 N ATOM 216 NH2 ARG A 27 -26.563 -6.419 -15.071 1.00 0.00 N ATOM 0 H ARG A 27 -21.764 -6.930 -8.405 1.00 0.00 H new ATOM 0 HA ARG A 27 -21.427 -5.514 -10.823 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -22.447 -7.803 -10.606 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -23.815 -7.114 -9.755 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -24.319 -5.665 -11.753 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -22.961 -6.375 -12.604 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -24.048 -8.662 -12.302 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -25.444 -7.859 -11.611 1.00 0.00 H new ATOM 0 HE ARG A 27 -24.610 -7.822 -14.452 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -26.509 -6.299 -11.898 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -27.730 -5.676 -13.013 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -25.958 -6.678 -15.850 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -27.416 -5.887 -15.243 1.00 0.00 H new ATOM 230 N VAL A 28 -23.781 -4.392 -8.832 1.00 0.00 N ATOM 231 CA VAL A 28 -24.645 -3.248 -8.556 1.00 0.00 C ATOM 232 C VAL A 28 -23.795 -1.993 -8.388 1.00 0.00 C ATOM 233 O VAL A 28 -24.295 -0.878 -8.544 1.00 0.00 O ATOM 234 CB VAL A 28 -25.522 -3.523 -7.328 1.00 0.00 C ATOM 235 CG1 VAL A 28 -24.638 -3.751 -6.102 1.00 0.00 C ATOM 236 CG2 VAL A 28 -26.464 -2.346 -7.064 1.00 0.00 C ATOM 0 H VAL A 28 -23.785 -5.106 -8.104 1.00 0.00 H new ATOM 0 HA VAL A 28 -25.318 -3.085 -9.398 1.00 0.00 H new ATOM 0 HB VAL A 28 -26.118 -4.415 -7.522 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -25.265 -3.946 -5.232 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -23.986 -4.606 -6.278 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -24.032 -2.864 -5.920 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -27.078 -2.560 -6.189 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -25.878 -1.444 -6.884 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -27.108 -2.194 -7.930 1.00 0.00 H new ATOM 246 N PHE A 29 -22.639 -2.190 -7.758 1.00 0.00 N ATOM 247 CA PHE A 29 -21.770 -1.094 -7.356 1.00 0.00 C ATOM 248 C PHE A 29 -21.625 -0.044 -8.460 1.00 0.00 C ATOM 249 O PHE A 29 -21.882 1.128 -8.203 1.00 0.00 O ATOM 250 CB PHE A 29 -20.400 -1.680 -6.993 1.00 0.00 C ATOM 251 CG PHE A 29 -19.914 -1.087 -5.697 1.00 0.00 C ATOM 252 CD1 PHE A 29 -19.166 0.086 -5.730 1.00 0.00 C ATOM 253 CD2 PHE A 29 -20.465 -1.511 -4.495 1.00 0.00 C ATOM 254 CE1 PHE A 29 -18.987 0.815 -4.569 1.00 0.00 C ATOM 255 CE2 PHE A 29 -20.547 -0.624 -3.425 1.00 0.00 C ATOM 256 CZ PHE A 29 -19.748 0.517 -3.430 1.00 0.00 C ATOM 0 H PHE A 29 -22.282 -3.114 -7.514 1.00 0.00 H new ATOM 0 HA PHE A 29 -22.211 -0.587 -6.498 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -20.471 -2.764 -6.903 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -19.684 -1.473 -7.788 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -18.728 0.425 -6.657 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -20.828 -2.523 -4.391 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -18.261 1.614 -4.540 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -21.220 -0.818 -2.603 1.00 0.00 H new ATOM 0 HZ PHE A 29 -19.715 1.165 -2.566 1.00 0.00 H new ATOM 266 N PRO A 30 -21.126 -0.397 -9.661 1.00 0.00 N ATOM 267 CA PRO A 30 -21.060 0.560 -10.804 1.00 0.00 C ATOM 268 C PRO A 30 -22.428 1.055 -11.270 1.00 0.00 C ATOM 269 O PRO A 30 -22.519 2.117 -11.884 1.00 0.00 O ATOM 270 CB PRO A 30 -20.372 -0.240 -11.915 1.00 0.00 C ATOM 271 CG PRO A 30 -20.619 -1.671 -11.584 1.00 0.00 C ATOM 272 CD PRO A 30 -20.683 -1.743 -10.060 1.00 0.00 C ATOM 0 HA PRO A 30 -20.529 1.468 -10.518 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -20.782 0.013 -12.893 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -19.304 -0.024 -11.951 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -21.550 -2.020 -12.031 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -19.822 -2.305 -11.972 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -21.382 -2.509 -9.725 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -19.712 -1.988 -9.630 1.00 0.00 H new ATOM 280 N TYR A 31 -23.448 0.207 -11.148 1.00 0.00 N ATOM 281 CA TYR A 31 -24.801 0.586 -11.556 1.00 0.00 C ATOM 282 C TYR A 31 -25.340 1.755 -10.742 1.00 0.00 C ATOM 283 O TYR A 31 -26.009 2.641 -11.275 1.00 0.00 O ATOM 284 CB TYR A 31 -25.749 -0.606 -11.393 1.00 0.00 C ATOM 285 CG TYR A 31 -25.717 -1.515 -12.603 1.00 0.00 C ATOM 286 CD1 TYR A 31 -24.497 -1.969 -13.137 1.00 0.00 C ATOM 287 CD2 TYR A 31 -26.910 -2.127 -13.019 1.00 0.00 C ATOM 288 CE1 TYR A 31 -24.507 -2.765 -14.292 1.00 0.00 C ATOM 289 CE2 TYR A 31 -26.927 -2.885 -14.194 1.00 0.00 C ATOM 290 CZ TYR A 31 -25.722 -3.215 -14.826 1.00 0.00 C ATOM 291 OH TYR A 31 -25.730 -3.997 -15.966 1.00 0.00 O ATOM 0 H TYR A 31 -23.366 -0.738 -10.774 1.00 0.00 H new ATOM 0 HA TYR A 31 -24.746 0.892 -12.601 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -25.472 -1.173 -10.504 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -26.765 -0.244 -11.236 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -23.563 -1.707 -12.663 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -27.811 -2.013 -12.434 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -23.576 -3.032 -14.771 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -27.866 -3.215 -14.613 1.00 0.00 H new ATOM 0 HH TYR A 31 -24.906 -4.527 -16.005 1.00 0.00 H new ATOM 301 N SER A 32 -25.168 1.661 -9.430 1.00 0.00 N ATOM 302 CA SER A 32 -25.600 2.713 -8.521 1.00 0.00 C ATOM 303 C SER A 32 -24.963 2.494 -7.152 1.00 0.00 C ATOM 304 O SER A 32 -25.115 1.420 -6.561 1.00 0.00 O ATOM 305 CB SER A 32 -27.124 2.723 -8.374 1.00 0.00 C ATOM 306 OG SER A 32 -27.521 3.817 -7.558 1.00 0.00 O ATOM 0 H SER A 32 -24.730 0.863 -8.970 1.00 0.00 H new ATOM 0 HA SER A 32 -25.286 3.672 -8.933 1.00 0.00 H new ATOM 0 HB2 SER A 32 -27.593 2.800 -9.355 1.00 0.00 H new ATOM 0 HB3 SER A 32 -27.462 1.786 -7.932 1.00 0.00 H new ATOM 0 HG SER A 32 -28.497 3.821 -7.468 1.00 0.00 H new ATOM 312 N PRO A 33 -24.298 3.512 -6.595 1.00 0.00 N ATOM 313 CA PRO A 33 -23.785 3.454 -5.195 1.00 0.00 C ATOM 314 C PRO A 33 -24.890 3.158 -4.183 1.00 0.00 C ATOM 315 O PRO A 33 -24.733 2.293 -3.326 1.00 0.00 O ATOM 316 CB PRO A 33 -23.204 4.855 -4.977 1.00 0.00 C ATOM 317 CG PRO A 33 -22.865 5.343 -6.345 1.00 0.00 C ATOM 318 CD PRO A 33 -23.949 4.781 -7.259 1.00 0.00 C ATOM 0 HA PRO A 33 -23.059 2.653 -5.054 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -23.925 5.511 -4.490 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -22.321 4.822 -4.338 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -22.848 6.432 -6.380 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -21.877 4.999 -6.651 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -24.806 5.450 -7.332 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -23.583 4.621 -8.273 1.00 0.00 H new ATOM 326 N GLU A 34 -26.056 3.754 -4.423 1.00 0.00 N ATOM 327 CA GLU A 34 -27.208 3.592 -3.542 1.00 0.00 C ATOM 328 C GLU A 34 -27.755 2.165 -3.547 1.00 0.00 C ATOM 329 O GLU A 34 -28.120 1.643 -2.495 1.00 0.00 O ATOM 330 CB GLU A 34 -28.298 4.577 -3.966 1.00 0.00 C ATOM 331 CG GLU A 34 -29.482 4.449 -3.008 1.00 0.00 C ATOM 332 CD GLU A 34 -30.601 5.436 -3.340 1.00 0.00 C ATOM 333 OE1 GLU A 34 -30.548 6.049 -4.395 1.00 0.00 O ATOM 334 OE2 GLU A 34 -31.608 5.392 -2.651 1.00 0.00 O ATOM 0 H GLU A 34 -26.227 4.358 -5.227 1.00 0.00 H new ATOM 0 HA GLU A 34 -26.883 3.798 -2.522 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -27.911 5.596 -3.953 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -28.616 4.370 -4.988 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -29.872 3.432 -3.049 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -29.141 4.619 -1.987 1.00 0.00 H new ATOM 341 N LEU A 35 -27.852 1.557 -4.727 1.00 0.00 N ATOM 342 CA LEU A 35 -28.328 0.179 -4.821 1.00 0.00 C ATOM 343 C LEU A 35 -27.362 -0.753 -4.096 1.00 0.00 C ATOM 344 O LEU A 35 -27.761 -1.395 -3.128 1.00 0.00 O ATOM 345 CB LEU A 35 -28.492 -0.234 -6.288 1.00 0.00 C ATOM 346 CG LEU A 35 -29.664 0.525 -6.924 1.00 0.00 C ATOM 347 CD1 LEU A 35 -29.651 0.325 -8.444 1.00 0.00 C ATOM 348 CD2 LEU A 35 -30.992 0.006 -6.357 1.00 0.00 C ATOM 0 H LEU A 35 -27.611 1.989 -5.619 1.00 0.00 H new ATOM 0 HA LEU A 35 -29.305 0.107 -4.342 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -27.574 -0.026 -6.837 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -28.666 -1.308 -6.354 1.00 0.00 H new ATOM 0 HG LEU A 35 -29.561 1.586 -6.696 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -30.486 0.866 -8.889 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -28.714 0.703 -8.853 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -29.744 -0.737 -8.672 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -31.820 0.549 -6.813 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -31.091 -1.057 -6.577 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -31.010 0.156 -5.278 1.00 0.00 H new ATOM 360 N ALA A 36 -26.074 -0.484 -4.298 1.00 0.00 N ATOM 361 CA ALA A 36 -25.000 -1.257 -3.676 1.00 0.00 C ATOM 362 C ALA A 36 -25.027 -1.128 -2.156 1.00 0.00 C ATOM 363 O ALA A 36 -24.865 -2.111 -1.440 1.00 0.00 O ATOM 364 CB ALA A 36 -23.649 -0.789 -4.213 1.00 0.00 C ATOM 0 H ALA A 36 -25.745 0.274 -4.896 1.00 0.00 H new ATOM 0 HA ALA A 36 -25.151 -2.307 -3.926 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -22.852 -1.368 -3.747 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -23.617 -0.932 -5.293 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -23.512 0.268 -3.983 1.00 0.00 H new ATOM 370 N LYS A 37 -25.366 0.067 -1.684 1.00 0.00 N ATOM 371 CA LYS A 37 -25.401 0.367 -0.255 1.00 0.00 C ATOM 372 C LYS A 37 -26.400 -0.496 0.511 1.00 0.00 C ATOM 373 O LYS A 37 -26.091 -0.964 1.606 1.00 0.00 O ATOM 374 CB LYS A 37 -25.759 1.851 -0.116 1.00 0.00 C ATOM 375 CG LYS A 37 -25.875 2.289 1.349 1.00 0.00 C ATOM 376 CD LYS A 37 -24.548 2.183 2.100 1.00 0.00 C ATOM 377 CE LYS A 37 -24.684 2.974 3.402 1.00 0.00 C ATOM 378 NZ LYS A 37 -23.964 2.281 4.502 1.00 0.00 N ATOM 0 H LYS A 37 -25.624 0.854 -2.279 1.00 0.00 H new ATOM 0 HA LYS A 37 -24.427 0.145 0.180 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -24.999 2.454 -0.614 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -26.703 2.044 -0.626 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -26.230 3.319 1.390 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -26.622 1.674 1.850 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -24.310 1.140 2.310 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -23.733 2.581 1.495 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -24.281 3.978 3.270 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -25.737 3.085 3.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -24.653 1.834 5.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -23.339 1.552 4.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -23.396 2.971 5.034 1.00 0.00 H new ATOM 392 N ARG A 38 -27.609 -0.643 -0.024 1.00 0.00 N ATOM 393 CA ARG A 38 -28.598 -1.512 0.605 1.00 0.00 C ATOM 394 C ARG A 38 -28.181 -2.982 0.602 1.00 0.00 C ATOM 395 O ARG A 38 -28.217 -3.624 1.655 1.00 0.00 O ATOM 396 CB ARG A 38 -29.971 -1.331 -0.047 1.00 0.00 C ATOM 397 CG ARG A 38 -30.528 0.040 0.351 1.00 0.00 C ATOM 398 CD ARG A 38 -31.905 0.255 -0.290 1.00 0.00 C ATOM 399 NE ARG A 38 -31.776 0.365 -1.739 1.00 0.00 N ATOM 400 CZ ARG A 38 -31.458 1.523 -2.314 1.00 0.00 C ATOM 401 NH1 ARG A 38 -31.577 2.642 -1.642 1.00 0.00 N ATOM 402 NH2 ARG A 38 -31.319 1.570 -3.610 1.00 0.00 N ATOM 0 H ARG A 38 -27.924 -0.180 -0.877 1.00 0.00 H new ATOM 0 HA ARG A 38 -28.663 -1.210 1.650 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -29.887 -1.404 -1.131 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -30.649 -2.122 0.274 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -30.609 0.108 1.436 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -29.843 0.826 0.033 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -32.565 -0.576 -0.039 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -32.364 1.159 0.111 1.00 0.00 H new ATOM 0 HE ARG A 38 -31.932 -0.458 -2.321 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -31.913 2.625 -0.679 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -31.334 3.529 -2.082 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -31.454 0.727 -4.168 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -31.076 2.450 -4.065 1.00 0.00 H new ATOM 416 N TYR A 39 -27.586 -3.442 -0.498 1.00 0.00 N ATOM 417 CA TYR A 39 -27.033 -4.796 -0.543 1.00 0.00 C ATOM 418 C TYR A 39 -25.903 -4.950 0.474 1.00 0.00 C ATOM 419 O TYR A 39 -25.597 -6.066 0.895 1.00 0.00 O ATOM 420 CB TYR A 39 -26.524 -5.151 -1.945 1.00 0.00 C ATOM 421 CG TYR A 39 -27.680 -5.248 -2.916 1.00 0.00 C ATOM 422 CD1 TYR A 39 -28.639 -6.258 -2.750 1.00 0.00 C ATOM 423 CD2 TYR A 39 -27.928 -4.202 -3.816 1.00 0.00 C ATOM 424 CE1 TYR A 39 -29.825 -6.221 -3.488 1.00 0.00 C ATOM 425 CE2 TYR A 39 -29.031 -4.265 -4.674 1.00 0.00 C ATOM 426 CZ TYR A 39 -29.997 -5.261 -4.492 1.00 0.00 C ATOM 427 OH TYR A 39 -31.084 -5.335 -5.340 1.00 0.00 O ATOM 0 H TYR A 39 -27.475 -2.906 -1.359 1.00 0.00 H new ATOM 0 HA TYR A 39 -27.839 -5.485 -0.290 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -25.818 -4.394 -2.285 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -25.986 -6.098 -1.915 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -28.461 -7.063 -2.053 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -27.268 -3.348 -3.847 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -30.610 -6.934 -3.283 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -29.137 -3.547 -5.474 1.00 0.00 H new ATOM 0 HH TYR A 39 -31.053 -4.591 -5.978 1.00 0.00 H new ATOM 437 N VAL A 40 -25.084 -3.907 0.544 1.00 0.00 N ATOM 438 CA VAL A 40 -23.887 -3.896 1.377 1.00 0.00 C ATOM 439 C VAL A 40 -24.212 -4.043 2.864 1.00 0.00 C ATOM 440 O VAL A 40 -23.646 -4.906 3.533 1.00 0.00 O ATOM 441 CB VAL A 40 -23.146 -2.583 1.106 1.00 0.00 C ATOM 442 CG1 VAL A 40 -22.347 -2.126 2.327 1.00 0.00 C ATOM 443 CG2 VAL A 40 -22.203 -2.774 -0.088 1.00 0.00 C ATOM 0 H VAL A 40 -25.232 -3.043 0.023 1.00 0.00 H new ATOM 0 HA VAL A 40 -23.262 -4.752 1.122 1.00 0.00 H new ATOM 0 HB VAL A 40 -23.884 -1.812 0.884 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.835 -1.192 2.098 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -23.023 -1.972 3.168 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -21.612 -2.888 2.587 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -21.673 -1.842 -0.286 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -21.483 -3.560 0.139 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -22.782 -3.055 -0.968 1.00 0.00 H new ATOM 453 N GLU A 41 -25.209 -3.297 3.333 1.00 0.00 N ATOM 454 CA GLU A 41 -25.571 -3.303 4.749 1.00 0.00 C ATOM 455 C GLU A 41 -26.089 -4.678 5.145 1.00 0.00 C ATOM 456 O GLU A 41 -25.535 -5.299 6.052 1.00 0.00 O ATOM 457 CB GLU A 41 -26.619 -2.228 5.057 1.00 0.00 C ATOM 458 CG GLU A 41 -25.976 -0.848 4.908 1.00 0.00 C ATOM 459 CD GLU A 41 -26.984 0.285 5.129 1.00 0.00 C ATOM 460 OE1 GLU A 41 -28.145 0.001 5.389 1.00 0.00 O ATOM 461 OE2 GLU A 41 -26.539 1.419 5.231 1.00 0.00 O ATOM 0 H GLU A 41 -25.780 -2.681 2.755 1.00 0.00 H new ATOM 0 HA GLU A 41 -24.679 -3.075 5.332 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -27.467 -2.323 4.379 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -27.004 -2.357 6.069 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -25.159 -0.750 5.623 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -25.541 -0.757 3.913 1.00 0.00 H new ATOM 468 N LEU A 42 -26.765 -5.275 4.172 1.00 0.00 N ATOM 469 CA LEU A 42 -27.187 -6.661 4.259 1.00 0.00 C ATOM 470 C LEU A 42 -25.985 -7.600 4.363 1.00 0.00 C ATOM 471 O LEU A 42 -25.947 -8.444 5.256 1.00 0.00 O ATOM 472 CB LEU A 42 -28.015 -6.974 3.003 1.00 0.00 C ATOM 473 CG LEU A 42 -28.480 -8.438 2.982 1.00 0.00 C ATOM 474 CD1 LEU A 42 -29.306 -8.777 4.228 1.00 0.00 C ATOM 475 CD2 LEU A 42 -29.336 -8.670 1.733 1.00 0.00 C ATOM 0 H LEU A 42 -27.034 -4.811 3.304 1.00 0.00 H new ATOM 0 HA LEU A 42 -27.785 -6.813 5.158 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -28.883 -6.316 2.965 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -27.420 -6.768 2.113 1.00 0.00 H new ATOM 0 HG LEU A 42 -27.600 -9.081 2.970 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -29.620 -9.820 4.184 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -28.700 -8.618 5.120 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -30.186 -8.134 4.267 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -29.671 -9.707 1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -30.202 -8.009 1.758 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -28.744 -8.459 0.842 1.00 0.00 H new ATOM 487 N ALA A 43 -24.948 -7.343 3.568 1.00 0.00 N ATOM 488 CA ALA A 43 -23.774 -8.215 3.537 1.00 0.00 C ATOM 489 C ALA A 43 -23.036 -8.225 4.875 1.00 0.00 C ATOM 490 O ALA A 43 -22.484 -9.250 5.271 1.00 0.00 O ATOM 491 CB ALA A 43 -22.820 -7.760 2.427 1.00 0.00 C ATOM 0 H ALA A 43 -24.896 -6.542 2.939 1.00 0.00 H new ATOM 0 HA ALA A 43 -24.120 -9.229 3.339 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -21.947 -8.412 2.408 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -23.331 -7.809 1.465 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -22.503 -6.735 2.618 1.00 0.00 H new ATOM 497 N LEU A 44 -22.934 -7.061 5.510 1.00 0.00 N ATOM 498 CA LEU A 44 -22.323 -6.974 6.838 1.00 0.00 C ATOM 499 C LEU A 44 -23.113 -7.764 7.881 1.00 0.00 C ATOM 500 O LEU A 44 -22.538 -8.535 8.652 1.00 0.00 O ATOM 501 CB LEU A 44 -22.193 -5.508 7.277 1.00 0.00 C ATOM 502 CG LEU A 44 -20.947 -4.838 6.676 1.00 0.00 C ATOM 503 CD1 LEU A 44 -19.716 -5.180 7.523 1.00 0.00 C ATOM 504 CD2 LEU A 44 -20.704 -5.277 5.225 1.00 0.00 C ATOM 0 H LEU A 44 -23.262 -6.172 5.133 1.00 0.00 H new ATOM 0 HA LEU A 44 -21.329 -7.416 6.766 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -23.083 -4.958 6.973 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -22.143 -5.458 8.365 1.00 0.00 H new ATOM 0 HG LEU A 44 -21.119 -3.762 6.678 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -18.835 -4.703 7.094 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -19.863 -4.820 8.541 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -19.573 -6.260 7.537 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -19.814 -4.780 4.839 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -20.560 -6.357 5.191 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -21.565 -5.006 4.614 1.00 0.00 H new ATOM 516 N LEU A 45 -24.440 -7.657 7.816 1.00 0.00 N ATOM 517 CA LEU A 45 -25.328 -8.470 8.639 1.00 0.00 C ATOM 518 C LEU A 45 -25.174 -9.949 8.309 1.00 0.00 C ATOM 519 O LEU A 45 -25.304 -10.798 9.187 1.00 0.00 O ATOM 520 CB LEU A 45 -26.794 -8.040 8.493 1.00 0.00 C ATOM 521 CG LEU A 45 -27.112 -6.853 9.411 1.00 0.00 C ATOM 522 CD1 LEU A 45 -26.327 -5.606 8.998 1.00 0.00 C ATOM 523 CD2 LEU A 45 -28.611 -6.552 9.336 1.00 0.00 C ATOM 0 H LEU A 45 -24.925 -7.009 7.195 1.00 0.00 H new ATOM 0 HA LEU A 45 -25.037 -8.312 9.678 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -26.995 -7.767 7.457 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -27.448 -8.877 8.735 1.00 0.00 H new ATOM 0 HG LEU A 45 -26.825 -7.117 10.429 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -26.574 -4.782 9.668 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -25.258 -5.813 9.056 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -26.589 -5.333 7.976 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -28.846 -5.709 9.986 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -28.882 -6.305 8.309 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -29.174 -7.427 9.659 1.00 0.00 H new ATOM 535 N VAL A 46 -25.050 -10.250 7.020 1.00 0.00 N ATOM 536 CA VAL A 46 -24.881 -11.631 6.581 1.00 0.00 C ATOM 537 C VAL A 46 -23.591 -12.193 7.167 1.00 0.00 C ATOM 538 O VAL A 46 -23.576 -13.319 7.651 1.00 0.00 O ATOM 539 CB VAL A 46 -24.874 -11.714 5.048 1.00 0.00 C ATOM 540 CG1 VAL A 46 -24.478 -13.122 4.584 1.00 0.00 C ATOM 541 CG2 VAL A 46 -26.273 -11.381 4.516 1.00 0.00 C ATOM 0 H VAL A 46 -25.063 -9.563 6.267 1.00 0.00 H new ATOM 0 HA VAL A 46 -25.720 -12.229 6.938 1.00 0.00 H new ATOM 0 HB VAL A 46 -24.146 -11.000 4.662 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -24.479 -13.160 3.495 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -23.481 -13.360 4.954 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -25.192 -13.848 4.973 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -26.272 -11.439 3.428 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -26.994 -12.094 4.916 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -26.549 -10.373 4.825 1.00 0.00 H new ATOM 551 N GLN A 47 -22.514 -11.415 7.110 1.00 0.00 N ATOM 552 CA GLN A 47 -21.206 -11.922 7.508 1.00 0.00 C ATOM 553 C GLN A 47 -21.188 -12.312 8.983 1.00 0.00 C ATOM 554 O GLN A 47 -20.619 -13.343 9.336 1.00 0.00 O ATOM 555 CB GLN A 47 -20.159 -10.826 7.282 1.00 0.00 C ATOM 556 CG GLN A 47 -18.768 -11.336 7.672 1.00 0.00 C ATOM 557 CD GLN A 47 -17.740 -10.220 7.492 1.00 0.00 C ATOM 558 OE1 GLN A 47 -16.637 -10.471 6.843 1.00 0.00 O flip ATOM 559 NE2 GLN A 47 -17.837 -9.183 8.148 1.00 0.00 N flip ATOM 0 H GLN A 47 -22.520 -10.444 6.797 1.00 0.00 H new ATOM 0 HA GLN A 47 -20.985 -12.806 6.910 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -20.162 -10.520 6.236 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -20.410 -9.945 7.873 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -18.772 -11.676 8.708 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -18.499 -12.194 7.056 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -18.697 -8.981 8.658 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -17.057 -8.526 8.182 1.00 0.00 H new ATOM 568 N GLN A 48 -21.726 -11.450 9.844 1.00 0.00 N ATOM 569 CA GLN A 48 -21.773 -11.766 11.270 1.00 0.00 C ATOM 570 C GLN A 48 -22.700 -12.949 11.546 1.00 0.00 C ATOM 571 O GLN A 48 -22.360 -13.840 12.320 1.00 0.00 O ATOM 572 CB GLN A 48 -22.198 -10.533 12.080 1.00 0.00 C ATOM 573 CG GLN A 48 -23.656 -10.160 11.793 1.00 0.00 C ATOM 574 CD GLN A 48 -24.061 -8.914 12.578 1.00 0.00 C ATOM 575 OE1 GLN A 48 -23.208 -8.182 13.071 1.00 0.00 O ATOM 576 NE2 GLN A 48 -25.330 -8.655 12.750 1.00 0.00 N ATOM 0 H GLN A 48 -22.127 -10.548 9.588 1.00 0.00 H new ATOM 0 HA GLN A 48 -20.770 -12.055 11.585 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -22.073 -10.733 13.144 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -21.549 -9.692 11.835 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -23.787 -9.982 10.726 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -24.308 -10.992 12.060 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -26.036 -9.266 12.339 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -25.615 -7.842 13.296 1.00 0.00 H new ATOM 585 N LYS A 49 -23.870 -12.934 10.911 1.00 0.00 N ATOM 586 CA LYS A 49 -24.854 -14.001 11.071 1.00 0.00 C ATOM 587 C LYS A 49 -24.335 -15.329 10.538 1.00 0.00 C ATOM 588 O LYS A 49 -24.538 -16.371 11.155 1.00 0.00 O ATOM 589 CB LYS A 49 -26.158 -13.598 10.382 1.00 0.00 C ATOM 590 CG LYS A 49 -26.780 -12.429 11.151 1.00 0.00 C ATOM 591 CD LYS A 49 -28.065 -11.982 10.451 1.00 0.00 C ATOM 592 CE LYS A 49 -28.644 -10.760 11.165 1.00 0.00 C ATOM 593 NZ LYS A 49 -29.105 -11.147 12.527 1.00 0.00 N ATOM 0 H LYS A 49 -24.160 -12.189 10.277 1.00 0.00 H new ATOM 0 HA LYS A 49 -25.043 -14.143 12.135 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -25.966 -13.310 9.348 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -26.847 -14.442 10.355 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -26.997 -12.729 12.176 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -26.075 -11.599 11.205 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -27.857 -11.741 9.408 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -28.792 -12.794 10.452 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -27.890 -9.976 11.235 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -29.476 -10.352 10.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -29.718 -10.400 12.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -29.638 -12.039 12.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -28.281 -11.273 13.149 1.00 0.00 H new ATOM 607 N ALA A 50 -23.687 -15.272 9.377 1.00 0.00 N ATOM 608 CA ALA A 50 -23.067 -16.459 8.795 1.00 0.00 C ATOM 609 C ALA A 50 -21.751 -16.793 9.491 1.00 0.00 C ATOM 610 O ALA A 50 -21.315 -17.942 9.466 1.00 0.00 O ATOM 611 CB ALA A 50 -22.812 -16.230 7.306 1.00 0.00 C ATOM 0 H ALA A 50 -23.578 -14.422 8.824 1.00 0.00 H new ATOM 0 HA ALA A 50 -23.749 -17.298 8.930 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -22.349 -17.118 6.875 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -23.758 -16.032 6.801 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -22.147 -15.376 7.178 1.00 0.00 H new ATOM 617 N LYS A 51 -21.253 -15.841 10.280 1.00 0.00 N ATOM 618 CA LYS A 51 -20.038 -16.050 11.069 1.00 0.00 C ATOM 619 C LYS A 51 -18.876 -16.549 10.211 1.00 0.00 C ATOM 620 O LYS A 51 -18.148 -17.459 10.614 1.00 0.00 O ATOM 621 CB LYS A 51 -20.310 -17.033 12.213 1.00 0.00 C ATOM 622 CG LYS A 51 -19.484 -16.634 13.439 1.00 0.00 C ATOM 623 CD LYS A 51 -19.872 -17.518 14.626 1.00 0.00 C ATOM 624 CE LYS A 51 -19.038 -17.115 15.843 1.00 0.00 C ATOM 625 NZ LYS A 51 -19.414 -17.951 17.016 1.00 0.00 N ATOM 0 H LYS A 51 -21.672 -14.917 10.390 1.00 0.00 H new ATOM 0 HA LYS A 51 -19.749 -15.084 11.483 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -21.371 -17.033 12.461 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -20.055 -18.047 11.904 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -18.421 -16.741 13.225 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -19.656 -15.585 13.681 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -20.934 -17.409 14.845 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -19.703 -18.567 14.385 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -17.977 -17.237 15.624 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -19.197 -16.061 16.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -18.843 -17.671 17.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -20.422 -17.814 17.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -19.240 -18.953 16.798 1.00 0.00 H new ATOM 639 N VAL A 52 -18.536 -15.775 9.184 1.00 0.00 N ATOM 640 CA VAL A 52 -17.493 -16.172 8.238 1.00 0.00 C ATOM 641 C VAL A 52 -16.374 -15.140 8.256 1.00 0.00 C ATOM 642 O VAL A 52 -16.634 -13.938 8.228 1.00 0.00 O ATOM 643 CB VAL A 52 -18.062 -16.291 6.817 1.00 0.00 C ATOM 644 CG1 VAL A 52 -19.081 -17.432 6.768 1.00 0.00 C ATOM 645 CG2 VAL A 52 -18.748 -14.986 6.394 1.00 0.00 C ATOM 0 H VAL A 52 -18.965 -14.871 8.984 1.00 0.00 H new ATOM 0 HA VAL A 52 -17.104 -17.145 8.536 1.00 0.00 H new ATOM 0 HB VAL A 52 -17.239 -16.494 6.132 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -19.485 -17.516 5.759 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -18.593 -18.367 7.043 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -19.892 -17.226 7.467 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -19.144 -15.094 5.384 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -19.564 -14.765 7.082 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -18.024 -14.171 6.415 1.00 0.00 H new ATOM 655 N LYS A 53 -15.136 -15.612 8.384 1.00 0.00 N ATOM 656 CA LYS A 53 -13.998 -14.710 8.533 1.00 0.00 C ATOM 657 C LYS A 53 -13.295 -14.503 7.196 1.00 0.00 C ATOM 658 O LYS A 53 -12.816 -15.459 6.588 1.00 0.00 O ATOM 659 CB LYS A 53 -13.004 -15.261 9.560 1.00 0.00 C ATOM 660 CG LYS A 53 -13.639 -15.244 10.954 1.00 0.00 C ATOM 661 CD LYS A 53 -12.641 -15.792 11.978 1.00 0.00 C ATOM 662 CE LYS A 53 -13.258 -15.769 13.378 1.00 0.00 C ATOM 663 NZ LYS A 53 -12.283 -16.312 14.363 1.00 0.00 N ATOM 0 H LYS A 53 -14.897 -16.604 8.388 1.00 0.00 H new ATOM 0 HA LYS A 53 -14.375 -13.750 8.885 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -12.717 -16.278 9.293 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.094 -14.662 9.557 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -13.928 -14.228 11.221 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -14.548 -15.846 10.958 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -12.359 -16.811 11.713 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.729 -15.195 11.964 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.534 -14.750 13.648 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -14.173 -16.361 13.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.704 -16.295 15.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.041 -17.291 14.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.421 -15.729 14.356 1.00 0.00 H new ATOM 677 N ILE A 54 -12.939 -13.245 6.954 1.00 0.00 N ATOM 678 CA ILE A 54 -12.221 -12.848 5.747 1.00 0.00 C ATOM 679 C ILE A 54 -11.274 -11.706 6.097 1.00 0.00 C ATOM 680 O ILE A 54 -11.728 -10.671 6.579 1.00 0.00 O ATOM 681 CB ILE A 54 -13.203 -12.390 4.662 1.00 0.00 C ATOM 682 CG1 ILE A 54 -14.470 -11.819 5.309 1.00 0.00 C ATOM 683 CG2 ILE A 54 -13.591 -13.582 3.784 1.00 0.00 C ATOM 684 CD1 ILE A 54 -15.088 -10.741 4.422 1.00 0.00 C ATOM 0 H ILE A 54 -13.140 -12.472 7.589 1.00 0.00 H new ATOM 0 HA ILE A 54 -11.660 -13.700 5.364 1.00 0.00 H new ATOM 0 HB ILE A 54 -12.724 -11.621 4.056 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -15.192 -12.619 5.475 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.229 -11.400 6.286 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -14.289 -13.254 3.014 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -12.698 -13.993 3.313 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -14.063 -14.348 4.399 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -15.986 -10.348 4.899 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -14.371 -9.933 4.278 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -15.349 -11.171 3.455 1.00 0.00 H new ATOM 696 N PRO A 55 -9.953 -11.921 6.015 1.00 0.00 N ATOM 697 CA PRO A 55 -8.962 -10.875 6.396 1.00 0.00 C ATOM 698 C PRO A 55 -9.141 -9.565 5.634 1.00 0.00 C ATOM 699 O PRO A 55 -8.892 -8.499 6.194 1.00 0.00 O ATOM 700 CB PRO A 55 -7.605 -11.523 6.109 1.00 0.00 C ATOM 701 CG PRO A 55 -7.849 -12.991 6.214 1.00 0.00 C ATOM 702 CD PRO A 55 -9.298 -13.219 5.782 1.00 0.00 C ATOM 0 HA PRO A 55 -9.077 -10.580 7.439 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.240 -11.253 5.118 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -6.852 -11.196 6.826 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.161 -13.546 5.576 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.688 -13.340 7.234 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.360 -13.514 4.734 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.767 -14.012 6.364 1.00 0.00 H new ATOM 710 N ARG A 56 -9.496 -9.641 4.350 1.00 0.00 N ATOM 711 CA ARG A 56 -9.446 -8.443 3.512 1.00 0.00 C ATOM 712 C ARG A 56 -10.691 -8.250 2.640 1.00 0.00 C ATOM 713 O ARG A 56 -10.926 -7.133 2.179 1.00 0.00 O ATOM 714 CB ARG A 56 -8.183 -8.463 2.644 1.00 0.00 C ATOM 715 CG ARG A 56 -6.940 -8.383 3.539 1.00 0.00 C ATOM 716 CD ARG A 56 -5.659 -8.480 2.707 1.00 0.00 C ATOM 717 NE ARG A 56 -5.537 -7.309 1.847 1.00 0.00 N ATOM 718 CZ ARG A 56 -4.550 -7.184 0.957 1.00 0.00 C ATOM 719 NH1 ARG A 56 -3.601 -8.086 0.888 1.00 0.00 N ATOM 720 NH2 ARG A 56 -4.426 -6.062 0.294 1.00 0.00 N ATOM 0 H ARG A 56 -9.811 -10.490 3.880 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.419 -7.591 4.191 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.155 -9.374 2.047 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.196 -7.625 1.947 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.947 -7.445 4.095 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.963 -9.189 4.273 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.792 -8.551 3.364 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.676 -9.386 2.102 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.227 -6.562 1.928 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.614 -8.889 1.517 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.850 -7.985 0.206 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.079 -5.296 0.460 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.676 -5.953 -0.389 1.00 0.00 H new ATOM 734 N LYS A 57 -11.452 -9.305 2.343 1.00 0.00 N ATOM 735 CA LYS A 57 -12.426 -9.207 1.255 1.00 0.00 C ATOM 736 C LYS A 57 -13.530 -8.177 1.490 1.00 0.00 C ATOM 737 O LYS A 57 -14.027 -7.617 0.513 1.00 0.00 O ATOM 738 CB LYS A 57 -13.100 -10.555 0.975 1.00 0.00 C ATOM 739 CG LYS A 57 -12.128 -11.551 0.340 1.00 0.00 C ATOM 740 CD LYS A 57 -12.878 -12.871 0.119 1.00 0.00 C ATOM 741 CE LYS A 57 -11.939 -13.929 -0.464 1.00 0.00 C ATOM 742 NZ LYS A 57 -11.446 -13.466 -1.793 1.00 0.00 N ATOM 0 H LYS A 57 -11.417 -10.206 2.820 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.832 -8.882 0.401 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -13.488 -10.968 1.906 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.953 -10.405 0.312 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.751 -11.164 -0.607 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.265 -11.707 0.987 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.291 -13.224 1.064 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.718 -12.710 -0.556 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.099 -14.099 0.210 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.462 -14.880 -0.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.053 -14.273 -2.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.235 -13.054 -2.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.706 -12.747 -1.658 1.00 0.00 H new ATOM 756 N TRP A 58 -14.107 -8.128 2.691 1.00 0.00 N ATOM 757 CA TRP A 58 -15.009 -7.025 3.018 1.00 0.00 C ATOM 758 C TRP A 58 -14.359 -5.990 3.926 1.00 0.00 C ATOM 759 O TRP A 58 -14.651 -4.798 3.817 1.00 0.00 O ATOM 760 CB TRP A 58 -16.308 -7.540 3.650 1.00 0.00 C ATOM 761 CG TRP A 58 -17.388 -7.608 2.609 1.00 0.00 C ATOM 762 CD1 TRP A 58 -17.860 -8.742 2.041 1.00 0.00 C ATOM 763 CD2 TRP A 58 -17.966 -6.510 1.838 1.00 0.00 C ATOM 764 NE1 TRP A 58 -18.848 -8.406 1.136 1.00 0.00 N ATOM 765 CE2 TRP A 58 -18.866 -7.050 0.884 1.00 0.00 C ATOM 766 CE3 TRP A 58 -17.665 -5.138 1.762 1.00 0.00 C ATOM 767 CZ2 TRP A 58 -19.443 -6.256 -0.115 1.00 0.00 C ATOM 768 CZ3 TRP A 58 -18.186 -4.355 0.719 1.00 0.00 C ATOM 769 CH2 TRP A 58 -19.117 -4.894 -0.177 1.00 0.00 C ATOM 0 H TRP A 58 -13.972 -8.816 3.432 1.00 0.00 H new ATOM 0 HA TRP A 58 -15.246 -6.532 2.075 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -16.146 -8.527 4.084 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -16.614 -6.881 4.462 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -17.520 -9.744 2.259 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -19.485 -9.077 0.707 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -17.030 -4.685 2.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -20.130 -6.687 -0.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -17.866 -3.330 0.607 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -19.584 -4.260 -0.916 1.00 0.00 H new ATOM 780 N LYS A 59 -13.447 -6.442 4.783 1.00 0.00 N ATOM 781 CA LYS A 59 -12.865 -5.562 5.790 1.00 0.00 C ATOM 782 C LYS A 59 -12.069 -4.432 5.143 1.00 0.00 C ATOM 783 O LYS A 59 -11.936 -3.362 5.737 1.00 0.00 O ATOM 784 CB LYS A 59 -11.977 -6.358 6.749 1.00 0.00 C ATOM 785 CG LYS A 59 -12.847 -7.290 7.598 1.00 0.00 C ATOM 786 CD LYS A 59 -11.963 -8.099 8.551 1.00 0.00 C ATOM 787 CE LYS A 59 -12.835 -9.015 9.409 1.00 0.00 C ATOM 788 NZ LYS A 59 -11.983 -9.807 10.337 1.00 0.00 N ATOM 0 H LYS A 59 -13.099 -7.401 4.800 1.00 0.00 H new ATOM 0 HA LYS A 59 -13.682 -5.116 6.357 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.245 -6.938 6.187 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.418 -5.678 7.393 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -13.573 -6.708 8.166 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.413 -7.962 6.953 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.246 -8.691 7.983 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.388 -7.427 9.188 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.551 -8.421 9.977 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.411 -9.685 8.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.584 -10.427 10.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.316 -10.386 9.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.452 -9.162 10.957 1.00 0.00 H new ATOM 802 N ARG A 60 -11.302 -4.782 4.112 1.00 0.00 N ATOM 803 CA ARG A 60 -10.382 -3.836 3.481 1.00 0.00 C ATOM 804 C ARG A 60 -10.952 -3.246 2.191 1.00 0.00 C ATOM 805 O ARG A 60 -10.289 -2.439 1.535 1.00 0.00 O ATOM 806 CB ARG A 60 -9.035 -4.515 3.206 1.00 0.00 C ATOM 807 CG ARG A 60 -8.382 -4.962 4.520 1.00 0.00 C ATOM 808 CD ARG A 60 -7.957 -3.767 5.378 1.00 0.00 C ATOM 809 NE ARG A 60 -7.448 -4.245 6.655 1.00 0.00 N ATOM 810 CZ ARG A 60 -7.650 -3.568 7.786 1.00 0.00 C ATOM 811 NH1 ARG A 60 -8.141 -2.351 7.754 1.00 0.00 N ATOM 812 NH2 ARG A 60 -7.132 -4.024 8.895 1.00 0.00 N ATOM 0 H ARG A 60 -11.299 -5.713 3.696 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.237 -3.009 4.176 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.181 -5.376 2.554 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.374 -3.826 2.680 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.081 -5.582 5.081 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.512 -5.581 4.302 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -7.190 -3.189 4.862 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -8.805 -3.101 5.538 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.924 -5.119 6.686 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -8.371 -1.917 6.860 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -8.293 -1.839 8.623 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -6.584 -4.884 8.886 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -7.276 -3.520 9.770 1.00 0.00 H new ATOM 826 N ARG A 61 -12.166 -3.656 1.823 1.00 0.00 N ATOM 827 CA ARG A 61 -12.762 -3.253 0.551 1.00 0.00 C ATOM 828 C ARG A 61 -13.995 -2.375 0.728 1.00 0.00 C ATOM 829 O ARG A 61 -14.745 -2.200 -0.224 1.00 0.00 O ATOM 830 CB ARG A 61 -13.106 -4.448 -0.345 1.00 0.00 C ATOM 831 CG ARG A 61 -11.811 -5.098 -0.858 1.00 0.00 C ATOM 832 CD ARG A 61 -12.126 -6.308 -1.746 1.00 0.00 C ATOM 833 NE ARG A 61 -10.895 -6.904 -2.243 1.00 0.00 N ATOM 834 CZ ARG A 61 -10.902 -8.023 -2.970 1.00 0.00 C ATOM 835 NH1 ARG A 61 -12.021 -8.649 -3.248 1.00 0.00 N ATOM 836 NH2 ARG A 61 -9.760 -8.524 -3.353 1.00 0.00 N ATOM 0 H ARG A 61 -12.755 -4.267 2.388 1.00 0.00 H new ATOM 0 HA ARG A 61 -11.991 -2.662 0.056 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.694 -5.177 0.213 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.718 -4.121 -1.185 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.231 -4.368 -1.422 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.196 -5.410 -0.014 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.692 -7.046 -1.179 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.753 -6.000 -2.583 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.004 -6.455 -2.030 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.909 -8.282 -2.907 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.003 -9.503 -3.806 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.888 -8.061 -3.096 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.739 -9.379 -3.909 1.00 0.00 H new ATOM 850 N TYR A 62 -14.158 -1.760 1.898 1.00 0.00 N ATOM 851 CA TYR A 62 -15.345 -0.946 2.161 1.00 0.00 C ATOM 852 C TYR A 62 -15.000 0.409 2.773 1.00 0.00 C ATOM 853 O TYR A 62 -13.831 0.686 3.042 1.00 0.00 O ATOM 854 CB TYR A 62 -16.353 -1.672 3.062 1.00 0.00 C ATOM 855 CG TYR A 62 -15.777 -2.158 4.376 1.00 0.00 C ATOM 856 CD1 TYR A 62 -14.608 -1.582 4.923 1.00 0.00 C ATOM 857 CD2 TYR A 62 -16.645 -2.880 5.217 1.00 0.00 C ATOM 858 CE1 TYR A 62 -14.310 -1.761 6.280 1.00 0.00 C ATOM 859 CE2 TYR A 62 -16.401 -2.936 6.594 1.00 0.00 C ATOM 860 CZ TYR A 62 -15.177 -2.491 7.100 1.00 0.00 C ATOM 861 OH TYR A 62 -14.745 -2.921 8.339 1.00 0.00 O ATOM 0 H TYR A 62 -13.493 -1.808 2.670 1.00 0.00 H new ATOM 0 HA TYR A 62 -15.803 -0.775 1.187 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -17.186 -1.001 3.270 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -16.759 -2.525 2.519 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -13.945 -1.005 4.296 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -17.500 -3.391 4.799 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -13.408 -1.334 6.694 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -17.156 -3.322 7.263 1.00 0.00 H new ATOM 0 HH TYR A 62 -15.466 -3.413 8.784 1.00 0.00 H new ATOM 871 N CYS A 63 -15.945 1.332 2.594 1.00 0.00 N ATOM 872 CA CYS A 63 -15.856 2.664 3.180 1.00 0.00 C ATOM 873 C CYS A 63 -16.066 2.593 4.685 1.00 0.00 C ATOM 874 O CYS A 63 -16.864 1.793 5.168 1.00 0.00 O ATOM 875 CB CYS A 63 -16.926 3.590 2.589 1.00 0.00 C ATOM 876 SG CYS A 63 -17.176 5.010 3.689 1.00 0.00 S ATOM 0 H CYS A 63 -16.788 1.176 2.041 1.00 0.00 H new ATOM 0 HA CYS A 63 -14.865 3.058 2.957 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -16.619 3.932 1.601 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -17.862 3.046 2.462 1.00 0.00 H new ATOM 881 N LYS A 64 -15.588 3.637 5.353 1.00 0.00 N ATOM 882 CA LYS A 64 -15.722 3.747 6.794 1.00 0.00 C ATOM 883 C LYS A 64 -17.194 3.835 7.180 1.00 0.00 C ATOM 884 O LYS A 64 -17.584 3.322 8.231 1.00 0.00 O ATOM 885 CB LYS A 64 -15.004 5.019 7.243 1.00 0.00 C ATOM 886 CG LYS A 64 -15.006 5.137 8.769 1.00 0.00 C ATOM 887 CD LYS A 64 -14.244 6.400 9.180 1.00 0.00 C ATOM 888 CE LYS A 64 -14.212 6.518 10.707 1.00 0.00 C ATOM 889 NZ LYS A 64 -13.458 7.745 11.098 1.00 0.00 N ATOM 0 H LYS A 64 -15.103 4.420 4.914 1.00 0.00 H new ATOM 0 HA LYS A 64 -15.288 2.870 7.274 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -13.978 5.011 6.876 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -15.492 5.890 6.806 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -16.030 5.179 9.141 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -14.541 4.257 9.214 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.227 6.365 8.788 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.722 7.280 8.749 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -15.228 6.562 11.100 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.741 5.636 11.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.437 7.824 12.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.485 7.685 10.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.926 8.583 10.696 1.00 0.00 H new ATOM 903 N LYS A 65 -17.983 4.562 6.384 1.00 0.00 N ATOM 904 CA LYS A 65 -19.426 4.644 6.620 1.00 0.00 C ATOM 905 C LYS A 65 -20.297 4.016 5.528 1.00 0.00 C ATOM 906 O LYS A 65 -21.350 3.490 5.886 1.00 0.00 O ATOM 907 CB LYS A 65 -19.859 6.084 6.917 1.00 0.00 C ATOM 908 CG LYS A 65 -21.366 6.092 7.193 1.00 0.00 C ATOM 909 CD LYS A 65 -21.871 7.495 7.524 1.00 0.00 C ATOM 910 CE LYS A 65 -23.372 7.406 7.799 1.00 0.00 C ATOM 911 NZ LYS A 65 -23.913 8.753 8.125 1.00 0.00 N ATOM 0 H LYS A 65 -17.652 5.096 5.580 1.00 0.00 H new ATOM 0 HA LYS A 65 -19.600 4.029 7.503 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -19.314 6.473 7.777 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -19.625 6.732 6.072 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -21.898 5.710 6.322 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -21.588 5.420 8.022 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -21.348 7.893 8.393 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -21.675 8.175 6.695 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -23.886 7.000 6.927 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -23.558 6.721 8.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -24.934 8.682 8.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -23.433 9.125 8.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -23.751 9.396 7.324 1.00 0.00 H new ATOM 925 N CYS A 66 -19.848 3.888 4.271 1.00 0.00 N ATOM 926 CA CYS A 66 -20.785 3.310 3.308 1.00 0.00 C ATOM 927 C CYS A 66 -20.973 1.847 3.688 1.00 0.00 C ATOM 928 O CYS A 66 -21.886 1.199 3.180 1.00 0.00 O ATOM 929 CB CYS A 66 -20.333 3.287 1.838 1.00 0.00 C ATOM 930 SG CYS A 66 -19.845 4.834 1.028 1.00 0.00 S ATOM 0 H CYS A 66 -18.927 4.151 3.921 1.00 0.00 H new ATOM 0 HA CYS A 66 -21.670 3.944 3.360 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -19.489 2.601 1.767 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -21.145 2.855 1.254 1.00 0.00 H new ATOM 935 N HIS A 67 -19.890 1.271 4.208 1.00 0.00 N ATOM 936 CA HIS A 67 -19.770 -0.176 4.347 1.00 0.00 C ATOM 937 C HIS A 67 -19.724 -0.819 2.963 1.00 0.00 C ATOM 938 O HIS A 67 -19.339 -1.975 2.807 1.00 0.00 O ATOM 939 CB HIS A 67 -20.931 -0.723 5.179 1.00 0.00 C ATOM 940 CG HIS A 67 -20.766 -0.253 6.597 1.00 0.00 C ATOM 941 ND1 HIS A 67 -21.092 1.037 6.977 1.00 0.00 N ATOM 942 CD2 HIS A 67 -20.106 -0.799 7.670 1.00 0.00 C ATOM 943 CE1 HIS A 67 -20.734 1.188 8.260 1.00 0.00 C ATOM 944 NE2 HIS A 67 -20.077 0.121 8.719 1.00 0.00 N ATOM 0 H HIS A 67 -19.078 1.791 4.542 1.00 0.00 H new ATOM 0 HA HIS A 67 -18.845 -0.419 4.869 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -21.882 -0.378 4.774 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -20.944 -1.812 5.140 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -21.527 1.746 6.387 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -19.675 -1.789 7.698 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -20.951 2.066 8.850 1.00 0.00 H new ATOM 953 N ALA A 68 -19.737 0.067 1.976 1.00 0.00 N ATOM 954 CA ALA A 68 -19.917 -0.282 0.578 1.00 0.00 C ATOM 955 C ALA A 68 -18.555 -0.436 -0.071 1.00 0.00 C ATOM 956 O ALA A 68 -17.633 0.291 0.290 1.00 0.00 O ATOM 957 CB ALA A 68 -20.705 0.821 -0.128 1.00 0.00 C ATOM 0 H ALA A 68 -19.620 1.068 2.131 1.00 0.00 H new ATOM 0 HA ALA A 68 -20.468 -1.219 0.499 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -20.839 0.558 -1.177 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -21.680 0.932 0.346 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -20.158 1.761 -0.057 1.00 0.00 H new ATOM 963 N PHE A 69 -18.520 -1.148 -1.193 1.00 0.00 N ATOM 964 CA PHE A 69 -17.250 -1.541 -1.783 1.00 0.00 C ATOM 965 C PHE A 69 -16.477 -0.280 -2.161 1.00 0.00 C ATOM 966 O PHE A 69 -17.077 0.686 -2.622 1.00 0.00 O ATOM 967 CB PHE A 69 -17.525 -2.345 -3.056 1.00 0.00 C ATOM 968 CG PHE A 69 -16.398 -3.312 -3.348 1.00 0.00 C ATOM 969 CD1 PHE A 69 -15.119 -2.810 -3.640 1.00 0.00 C ATOM 970 CD2 PHE A 69 -16.731 -4.604 -3.783 1.00 0.00 C ATOM 971 CE1 PHE A 69 -14.120 -3.657 -4.133 1.00 0.00 C ATOM 972 CE2 PHE A 69 -15.809 -5.332 -4.548 1.00 0.00 C ATOM 973 CZ PHE A 69 -14.481 -4.906 -4.640 1.00 0.00 C ATOM 0 H PHE A 69 -19.346 -1.460 -1.704 1.00 0.00 H new ATOM 0 HA PHE A 69 -16.676 -2.140 -1.076 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -18.460 -2.895 -2.947 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -17.651 -1.665 -3.898 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -14.905 -1.763 -3.483 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -17.689 -5.034 -3.531 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.085 -3.349 -4.121 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -16.126 -6.224 -5.068 1.00 0.00 H new ATOM 0 HZ PHE A 69 -13.738 -5.540 -5.101 1.00 0.00 H new ATOM 983 N LEU A 70 -15.212 -0.195 -1.764 1.00 0.00 N ATOM 984 CA LEU A 70 -14.525 1.084 -1.881 1.00 0.00 C ATOM 985 C LEU A 70 -13.746 1.049 -3.188 1.00 0.00 C ATOM 986 O LEU A 70 -12.865 0.212 -3.378 1.00 0.00 O ATOM 987 CB LEU A 70 -13.588 1.292 -0.679 1.00 0.00 C ATOM 988 CG LEU A 70 -13.160 2.761 -0.520 1.00 0.00 C ATOM 989 CD1 LEU A 70 -12.541 3.295 -1.813 1.00 0.00 C ATOM 990 CD2 LEU A 70 -14.358 3.632 -0.130 1.00 0.00 C ATOM 0 H LEU A 70 -14.662 -0.960 -1.375 1.00 0.00 H new ATOM 0 HA LEU A 70 -15.230 1.915 -1.884 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -14.089 0.961 0.231 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.702 0.669 -0.800 1.00 0.00 H new ATOM 0 HG LEU A 70 -12.412 2.803 0.272 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -12.247 4.335 -1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.663 2.701 -2.068 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.271 3.229 -2.620 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -14.035 4.668 -0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -15.122 3.569 -0.905 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -14.771 3.280 0.815 1.00 0.00 H new ATOM 1002 N VAL A 71 -14.326 1.737 -4.167 1.00 0.00 N ATOM 1003 CA VAL A 71 -13.754 1.860 -5.501 1.00 0.00 C ATOM 1004 C VAL A 71 -13.878 3.317 -5.939 1.00 0.00 C ATOM 1005 O VAL A 71 -14.979 3.867 -5.900 1.00 0.00 O ATOM 1006 CB VAL A 71 -14.510 0.970 -6.498 1.00 0.00 C ATOM 1007 CG1 VAL A 71 -13.633 0.718 -7.729 1.00 0.00 C ATOM 1008 CG2 VAL A 71 -14.873 -0.377 -5.862 1.00 0.00 C ATOM 0 H VAL A 71 -15.213 2.228 -4.054 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.710 1.546 -5.479 1.00 0.00 H new ATOM 0 HB VAL A 71 -15.427 1.483 -6.787 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -14.171 0.086 -8.436 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -13.391 1.669 -8.204 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.713 0.220 -7.424 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -15.408 -0.990 -6.588 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -13.963 -0.891 -5.554 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -15.507 -0.209 -4.991 1.00 0.00 H new ATOM 1018 N PRO A 72 -12.768 4.000 -6.259 1.00 0.00 N ATOM 1019 CA PRO A 72 -12.835 5.396 -6.777 1.00 0.00 C ATOM 1020 C PRO A 72 -13.586 5.494 -8.102 1.00 0.00 C ATOM 1021 O PRO A 72 -13.320 4.736 -9.036 1.00 0.00 O ATOM 1022 CB PRO A 72 -11.373 5.819 -6.929 1.00 0.00 C ATOM 1023 CG PRO A 72 -10.577 4.858 -6.110 1.00 0.00 C ATOM 1024 CD PRO A 72 -11.378 3.559 -6.057 1.00 0.00 C ATOM 0 HA PRO A 72 -13.390 6.046 -6.101 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -11.065 5.789 -7.974 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.225 6.842 -6.583 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -9.596 4.690 -6.555 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -10.409 5.250 -5.107 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -11.062 2.861 -6.833 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -11.254 3.050 -5.101 1.00 0.00 H new ATOM 1032 N GLY A 73 -14.315 6.599 -8.243 1.00 0.00 N ATOM 1033 CA GLY A 73 -15.129 6.859 -9.423 1.00 0.00 C ATOM 1034 C GLY A 73 -16.490 6.170 -9.362 1.00 0.00 C ATOM 1035 O GLY A 73 -17.304 6.365 -10.263 1.00 0.00 O ATOM 0 H GLY A 73 -14.356 7.338 -7.541 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -15.275 7.934 -9.529 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.594 6.520 -10.310 1.00 0.00 H new ATOM 1039 N ILE A 74 -16.748 5.357 -8.334 1.00 0.00 N ATOM 1040 CA ILE A 74 -17.848 4.405 -8.444 1.00 0.00 C ATOM 1041 C ILE A 74 -18.972 4.724 -7.452 1.00 0.00 C ATOM 1042 O ILE A 74 -19.903 5.453 -7.806 1.00 0.00 O ATOM 1043 CB ILE A 74 -17.341 2.974 -8.212 1.00 0.00 C ATOM 1044 CG1 ILE A 74 -16.122 2.665 -9.097 1.00 0.00 C ATOM 1045 CG2 ILE A 74 -18.466 1.995 -8.569 1.00 0.00 C ATOM 1046 CD1 ILE A 74 -16.451 2.805 -10.587 1.00 0.00 C ATOM 0 H ILE A 74 -16.234 5.338 -7.453 1.00 0.00 H new ATOM 0 HA ILE A 74 -18.253 4.487 -9.453 1.00 0.00 H new ATOM 0 HB ILE A 74 -17.046 2.873 -7.168 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -15.306 3.340 -8.840 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -15.774 1.652 -8.895 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -18.123 0.973 -8.410 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -19.332 2.190 -7.936 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -18.744 2.126 -9.615 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -15.564 2.578 -11.178 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -17.249 2.111 -10.850 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -16.774 3.825 -10.794 1.00 0.00 H new ATOM 1058 N ASN A 75 -18.741 4.431 -6.167 1.00 0.00 N ATOM 1059 CA ASN A 75 -19.573 4.976 -5.097 1.00 0.00 C ATOM 1060 C ASN A 75 -18.822 6.086 -4.382 1.00 0.00 C ATOM 1061 O ASN A 75 -19.321 6.685 -3.430 1.00 0.00 O ATOM 1062 CB ASN A 75 -19.903 3.886 -4.072 1.00 0.00 C ATOM 1063 CG ASN A 75 -18.672 3.509 -3.245 1.00 0.00 C ATOM 1064 OD1 ASN A 75 -17.485 3.561 -3.785 1.00 0.00 O flip ATOM 1065 ND2 ASN A 75 -18.768 3.402 -2.024 1.00 0.00 N flip ATOM 0 H ASN A 75 -17.988 3.822 -5.847 1.00 0.00 H new ATOM 0 HA ASN A 75 -20.493 5.359 -5.538 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -20.696 4.234 -3.410 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -20.282 3.003 -4.586 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -19.688 3.360 -1.587 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -17.927 3.355 -1.448 1.00 0.00 H new ATOM 1072 N ALA A 76 -17.619 6.351 -4.868 1.00 0.00 N ATOM 1073 CA ALA A 76 -16.715 7.259 -4.182 1.00 0.00 C ATOM 1074 C ALA A 76 -15.707 7.764 -5.193 1.00 0.00 C ATOM 1075 O ALA A 76 -15.643 7.213 -6.280 1.00 0.00 O ATOM 1076 CB ALA A 76 -15.993 6.538 -3.041 1.00 0.00 C ATOM 0 H ALA A 76 -17.248 5.952 -5.730 1.00 0.00 H new ATOM 0 HA ALA A 76 -17.276 8.089 -3.753 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -15.320 7.234 -2.539 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -16.726 6.162 -2.327 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -15.418 5.704 -3.444 1.00 0.00 H new ATOM 1082 N ARG A 77 -15.178 8.959 -4.955 1.00 0.00 N ATOM 1083 CA ARG A 77 -14.284 9.574 -5.924 1.00 0.00 C ATOM 1084 C ARG A 77 -13.006 10.029 -5.233 1.00 0.00 C ATOM 1085 O ARG A 77 -13.057 10.680 -4.197 1.00 0.00 O ATOM 1086 CB ARG A 77 -14.957 10.747 -6.643 1.00 0.00 C ATOM 1087 CG ARG A 77 -13.994 11.277 -7.709 1.00 0.00 C ATOM 1088 CD ARG A 77 -14.642 12.437 -8.463 1.00 0.00 C ATOM 1089 NE ARG A 77 -13.789 12.880 -9.557 1.00 0.00 N ATOM 1090 CZ ARG A 77 -13.876 12.344 -10.773 1.00 0.00 C ATOM 1091 NH1 ARG A 77 -14.732 11.382 -11.019 1.00 0.00 N ATOM 1092 NH2 ARG A 77 -12.963 12.640 -11.658 1.00 0.00 N ATOM 0 H ARG A 77 -15.349 9.511 -4.115 1.00 0.00 H new ATOM 0 HA ARG A 77 -14.035 8.829 -6.679 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -15.891 10.424 -7.103 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -15.207 11.535 -5.932 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -13.067 11.608 -7.242 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -13.733 10.480 -8.405 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -15.611 12.127 -8.854 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -14.824 13.266 -7.779 1.00 0.00 H new ATOM 0 HE ARG A 77 -13.107 13.620 -9.388 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -15.339 11.037 -10.276 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -14.791 10.978 -11.954 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -12.201 13.272 -11.413 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -13.012 12.240 -12.595 1.00 0.00 H new ATOM 1106 N VAL A 78 -11.896 9.871 -5.944 1.00 0.00 N ATOM 1107 CA VAL A 78 -10.585 10.184 -5.392 1.00 0.00 C ATOM 1108 C VAL A 78 -9.883 11.194 -6.294 1.00 0.00 C ATOM 1109 O VAL A 78 -10.024 11.153 -7.516 1.00 0.00 O ATOM 1110 CB VAL A 78 -9.742 8.906 -5.255 1.00 0.00 C ATOM 1111 CG1 VAL A 78 -9.286 8.413 -6.632 1.00 0.00 C ATOM 1112 CG2 VAL A 78 -8.504 9.178 -4.395 1.00 0.00 C ATOM 0 H VAL A 78 -11.878 9.528 -6.904 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.707 10.617 -4.399 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.361 8.143 -4.782 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.690 7.508 -6.515 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.159 8.197 -7.248 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.684 9.184 -7.113 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.915 8.265 -4.306 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.900 9.955 -4.863 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.815 9.508 -3.404 1.00 0.00 H new ATOM 1122 N ARG A 79 -9.344 12.228 -5.660 1.00 0.00 N ATOM 1123 CA ARG A 79 -8.496 13.191 -6.353 1.00 0.00 C ATOM 1124 C ARG A 79 -7.068 12.980 -5.875 1.00 0.00 C ATOM 1125 O ARG A 79 -6.840 12.751 -4.689 1.00 0.00 O ATOM 1126 CB ARG A 79 -8.922 14.628 -6.026 1.00 0.00 C ATOM 1127 CG ARG A 79 -8.095 15.635 -6.829 1.00 0.00 C ATOM 1128 CD ARG A 79 -8.474 17.055 -6.402 1.00 0.00 C ATOM 1129 NE ARG A 79 -9.858 17.349 -6.746 1.00 0.00 N ATOM 1130 CZ ARG A 79 -10.207 17.771 -7.960 1.00 0.00 C ATOM 1131 NH1 ARG A 79 -9.354 17.748 -8.956 1.00 0.00 N ATOM 1132 NH2 ARG A 79 -11.449 18.103 -8.187 1.00 0.00 N ATOM 0 H ARG A 79 -9.479 12.422 -4.668 1.00 0.00 H new ATOM 0 HA ARG A 79 -8.582 13.043 -7.430 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.981 14.758 -6.251 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -8.797 14.816 -4.960 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -7.031 15.464 -6.663 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -8.276 15.503 -7.896 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -8.331 17.166 -5.327 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -7.814 17.774 -6.888 1.00 0.00 H new ATOM 0 HE ARG A 79 -10.581 17.228 -6.037 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -8.406 17.403 -8.807 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -9.639 18.075 -9.879 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -12.139 18.038 -7.439 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -11.729 18.428 -9.112 1.00 0.00 H new ATOM 1146 N LEU A 80 -6.138 12.912 -6.818 1.00 0.00 N ATOM 1147 CA LEU A 80 -4.743 12.699 -6.464 1.00 0.00 C ATOM 1148 C LEU A 80 -4.006 14.018 -6.659 1.00 0.00 C ATOM 1149 O LEU A 80 -4.094 14.627 -7.723 1.00 0.00 O ATOM 1150 CB LEU A 80 -4.147 11.627 -7.386 1.00 0.00 C ATOM 1151 CG LEU A 80 -5.019 10.362 -7.375 1.00 0.00 C ATOM 1152 CD1 LEU A 80 -6.189 10.515 -8.359 1.00 0.00 C ATOM 1153 CD2 LEU A 80 -4.183 9.140 -7.768 1.00 0.00 C ATOM 0 H LEU A 80 -6.320 13.000 -7.818 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.651 12.366 -5.430 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.071 12.014 -8.402 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.136 11.381 -7.062 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.411 10.223 -6.368 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.799 9.612 -8.342 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.799 11.371 -8.069 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.800 10.671 -9.365 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.812 8.250 -7.757 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.776 9.284 -8.769 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.365 9.015 -7.058 1.00 0.00 H new ATOM 1165 N ARG A 81 -3.393 14.505 -5.582 1.00 0.00 N ATOM 1166 CA ARG A 81 -2.726 15.803 -5.605 1.00 0.00 C ATOM 1167 C ARG A 81 -1.214 15.627 -5.659 1.00 0.00 C ATOM 1168 O ARG A 81 -0.638 15.003 -4.767 1.00 0.00 O ATOM 1169 CB ARG A 81 -3.125 16.648 -4.389 1.00 0.00 C ATOM 1170 CG ARG A 81 -4.597 17.059 -4.518 1.00 0.00 C ATOM 1171 CD ARG A 81 -5.007 17.876 -3.287 1.00 0.00 C ATOM 1172 NE ARG A 81 -6.399 18.285 -3.398 1.00 0.00 N ATOM 1173 CZ ARG A 81 -7.021 18.926 -2.408 1.00 0.00 C ATOM 1174 NH1 ARG A 81 -6.384 19.205 -1.295 1.00 0.00 N ATOM 1175 NH2 ARG A 81 -8.215 19.424 -2.620 1.00 0.00 N ATOM 0 H ARG A 81 -3.345 14.021 -4.685 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.046 16.330 -6.504 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.973 16.080 -3.471 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.493 17.533 -4.324 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.744 17.647 -5.424 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.227 16.174 -4.607 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.865 17.283 -2.384 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.368 18.754 -3.195 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.912 18.076 -4.255 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.408 18.931 -1.184 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.865 19.696 -0.541 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.657 19.319 -3.533 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -8.702 19.917 -1.872 1.00 0.00 H new ATOM 1189 N GLN A 82 -0.579 16.417 -6.522 1.00 0.00 N ATOM 1190 CA GLN A 82 0.838 16.250 -6.818 1.00 0.00 C ATOM 1191 C GLN A 82 1.619 17.463 -6.317 1.00 0.00 C ATOM 1192 O GLN A 82 1.748 18.457 -7.030 1.00 0.00 O ATOM 1193 CB GLN A 82 1.035 16.061 -8.324 1.00 0.00 C ATOM 1194 CG GLN A 82 2.523 15.825 -8.628 1.00 0.00 C ATOM 1195 CD GLN A 82 2.709 15.458 -10.102 1.00 0.00 C ATOM 1196 OE1 GLN A 82 1.755 15.082 -10.787 1.00 0.00 O ATOM 1197 NE2 GLN A 82 3.904 15.496 -10.622 1.00 0.00 N ATOM 0 H GLN A 82 -1.027 17.181 -7.029 1.00 0.00 H new ATOM 0 HA GLN A 82 1.213 15.363 -6.307 1.00 0.00 H new ATOM 0 HB2 GLN A 82 0.444 15.215 -8.674 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.680 16.941 -8.860 1.00 0.00 H new ATOM 0 HG2 GLN A 82 3.096 16.722 -8.394 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.909 15.026 -7.995 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.696 15.806 -10.059 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.047 15.215 -11.592 1.00 0.00 H new ATOM 1206 N LYS A 83 1.655 17.523 -4.991 1.00 0.00 N ATOM 1207 CA LYS A 83 2.576 18.357 -4.233 1.00 0.00 C ATOM 1208 C LYS A 83 3.754 17.470 -3.849 1.00 0.00 C ATOM 1209 O LYS A 83 3.640 16.248 -3.977 1.00 0.00 O ATOM 1210 CB LYS A 83 1.866 18.849 -2.968 1.00 0.00 C ATOM 1211 CG LYS A 83 0.690 19.756 -3.358 1.00 0.00 C ATOM 1212 CD LYS A 83 -0.049 20.230 -2.101 1.00 0.00 C ATOM 1213 CE LYS A 83 -1.223 21.130 -2.502 1.00 0.00 C ATOM 1214 NZ LYS A 83 -1.962 21.567 -1.283 1.00 0.00 N ATOM 0 H LYS A 83 1.028 16.978 -4.399 1.00 0.00 H new ATOM 0 HA LYS A 83 2.910 19.220 -4.809 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.506 18.000 -2.387 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.565 19.395 -2.335 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.054 20.615 -3.921 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.004 19.215 -4.010 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -0.412 19.372 -1.536 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.634 20.775 -1.449 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.857 21.999 -3.048 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -1.894 20.592 -3.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -2.757 22.177 -1.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.325 20.733 -0.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -1.320 22.096 -0.659 1.00 0.00 H new ATOM 1228 N ARG A 84 4.909 18.029 -3.487 1.00 0.00 N ATOM 1229 CA ARG A 84 5.909 17.119 -2.935 1.00 0.00 C ATOM 1230 C ARG A 84 5.491 16.938 -1.475 1.00 0.00 C ATOM 1231 O ARG A 84 6.326 16.904 -0.574 1.00 0.00 O ATOM 1232 CB ARG A 84 7.272 17.833 -3.009 1.00 0.00 C ATOM 1233 CG ARG A 84 8.438 16.921 -2.606 1.00 0.00 C ATOM 1234 CD ARG A 84 9.715 17.768 -2.581 1.00 0.00 C ATOM 1235 NE ARG A 84 10.085 18.246 -3.908 1.00 0.00 N ATOM 1236 CZ ARG A 84 11.143 19.049 -4.088 1.00 0.00 C ATOM 1237 NH1 ARG A 84 11.880 19.416 -3.063 1.00 0.00 N ATOM 1238 NH2 ARG A 84 11.261 19.705 -5.218 1.00 0.00 N ATOM 0 H ARG A 84 5.162 19.015 -3.555 1.00 0.00 H new ATOM 0 HA ARG A 84 5.981 16.164 -3.456 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.433 18.196 -4.024 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.256 18.706 -2.357 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.255 16.479 -1.627 1.00 0.00 H new ATOM 0 HG3 ARG A 84 8.540 16.098 -3.313 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.571 18.620 -1.917 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.533 17.177 -2.168 1.00 0.00 H new ATOM 0 HE ARG A 84 9.528 17.964 -4.715 1.00 0.00 H new ATOM 0 HH11 ARG A 84 11.648 19.089 -2.125 1.00 0.00 H new ATOM 0 HH12 ARG A 84 12.684 20.027 -3.206 1.00 0.00 H new ATOM 0 HH21 ARG A 84 10.553 19.600 -5.945 1.00 0.00 H new ATOM 0 HH22 ARG A 84 12.061 20.320 -5.370 1.00 0.00 H new ATOM 1252 N MET A 85 4.275 16.403 -1.344 1.00 0.00 N ATOM 1253 CA MET A 85 3.892 15.259 -0.521 1.00 0.00 C ATOM 1254 C MET A 85 2.791 14.529 -1.290 1.00 0.00 C ATOM 1255 O MET A 85 1.840 15.197 -1.684 1.00 0.00 O ATOM 1256 CB MET A 85 3.283 15.794 0.783 1.00 0.00 C ATOM 1257 CG MET A 85 4.352 16.062 1.845 1.00 0.00 C ATOM 1258 SD MET A 85 3.921 15.159 3.356 1.00 0.00 S ATOM 1259 CE MET A 85 3.343 16.565 4.341 1.00 0.00 C ATOM 0 H MET A 85 3.476 16.788 -1.848 1.00 0.00 H new ATOM 0 HA MET A 85 4.740 14.610 -0.305 1.00 0.00 H new ATOM 0 HB2 MET A 85 2.737 16.715 0.578 1.00 0.00 H new ATOM 0 HB3 MET A 85 2.561 15.074 1.168 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.330 15.745 1.483 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.419 17.130 2.051 1.00 0.00 H new ATOM 0 HE1 MET A 85 3.027 16.215 5.324 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.152 17.286 4.455 1.00 0.00 H new ATOM 0 HE3 MET A 85 2.501 17.041 3.837 1.00 0.00 H new ATOM 1269 N PRO A 86 2.849 13.218 -1.583 1.00 0.00 N ATOM 1270 CA PRO A 86 1.671 12.576 -2.226 1.00 0.00 C ATOM 1271 C PRO A 86 0.467 12.663 -1.295 1.00 0.00 C ATOM 1272 O PRO A 86 0.552 12.199 -0.163 1.00 0.00 O ATOM 1273 CB PRO A 86 2.113 11.127 -2.454 1.00 0.00 C ATOM 1274 CG PRO A 86 3.605 11.126 -2.355 1.00 0.00 C ATOM 1275 CD PRO A 86 4.004 12.316 -1.479 1.00 0.00 C ATOM 0 HA PRO A 86 1.368 13.053 -3.158 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.673 10.464 -1.709 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.787 10.770 -3.431 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.961 10.192 -1.920 1.00 0.00 H new ATOM 0 HG3 PRO A 86 4.056 11.209 -3.344 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.185 12.013 -0.448 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.918 12.790 -1.837 1.00 0.00 H new ATOM 1283 N HIS A 87 -0.702 12.928 -1.868 1.00 0.00 N ATOM 1284 CA HIS A 87 -1.944 12.947 -1.104 1.00 0.00 C ATOM 1285 C HIS A 87 -3.086 12.510 -2.010 1.00 0.00 C ATOM 1286 O HIS A 87 -3.159 12.947 -3.157 1.00 0.00 O ATOM 1287 CB HIS A 87 -2.207 14.358 -0.557 1.00 0.00 C ATOM 1288 CG HIS A 87 -1.150 14.744 0.448 1.00 0.00 C ATOM 1289 ND1 HIS A 87 -0.739 16.063 0.597 1.00 0.00 N ATOM 1290 CD2 HIS A 87 -0.641 14.083 1.545 1.00 0.00 C ATOM 1291 CE1 HIS A 87 -0.011 16.140 1.727 1.00 0.00 C ATOM 1292 NE2 HIS A 87 0.204 14.935 2.253 1.00 0.00 N ATOM 0 H HIS A 87 -0.815 13.133 -2.861 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.867 12.262 -0.259 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -2.216 15.076 -1.377 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -3.191 14.395 -0.090 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -0.863 13.061 1.815 1.00 0.00 H new ATOM 0 HE1 HIS A 87 0.353 17.063 2.154 1.00 0.00 H new ATOM 0 HE2 HIS A 87 0.845 14.690 3.007 1.00 0.00 H new ATOM 1301 N ILE A 88 -4.047 11.775 -1.455 1.00 0.00 N ATOM 1302 CA ILE A 88 -5.311 11.536 -2.148 1.00 0.00 C ATOM 1303 C ILE A 88 -6.483 11.868 -1.235 1.00 0.00 C ATOM 1304 O ILE A 88 -6.375 11.736 -0.017 1.00 0.00 O ATOM 1305 CB ILE A 88 -5.412 10.085 -2.637 1.00 0.00 C ATOM 1306 CG1 ILE A 88 -5.372 9.103 -1.459 1.00 0.00 C ATOM 1307 CG2 ILE A 88 -4.243 9.790 -3.583 1.00 0.00 C ATOM 1308 CD1 ILE A 88 -5.680 7.690 -1.963 1.00 0.00 C ATOM 0 H ILE A 88 -3.976 11.338 -0.536 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.345 12.188 -3.021 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.361 9.960 -3.158 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.391 9.126 -0.985 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.098 9.397 -0.701 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -4.310 8.760 -3.934 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.285 10.467 -4.436 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.301 9.933 -3.053 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.652 6.991 -1.127 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.671 7.673 -2.417 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.937 7.398 -2.705 1.00 0.00 H new ATOM 1320 N VAL A 89 -7.550 12.400 -1.822 1.00 0.00 N ATOM 1321 CA VAL A 89 -8.776 12.673 -1.076 1.00 0.00 C ATOM 1322 C VAL A 89 -9.947 11.892 -1.660 1.00 0.00 C ATOM 1323 O VAL A 89 -10.331 12.125 -2.800 1.00 0.00 O ATOM 1324 CB VAL A 89 -9.089 14.176 -1.084 1.00 0.00 C ATOM 1325 CG1 VAL A 89 -8.103 14.924 -0.182 1.00 0.00 C ATOM 1326 CG2 VAL A 89 -8.987 14.750 -2.501 1.00 0.00 C ATOM 0 H VAL A 89 -7.592 12.651 -2.810 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.623 12.353 -0.045 1.00 0.00 H new ATOM 0 HB VAL A 89 -10.107 14.305 -0.716 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -8.334 15.989 -0.195 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.185 14.547 0.838 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.087 14.769 -0.546 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.213 15.816 -2.479 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.977 14.601 -2.882 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -9.698 14.241 -3.152 1.00 0.00 H new ATOM 1336 N VAL A 90 -10.677 11.215 -0.777 1.00 0.00 N ATOM 1337 CA VAL A 90 -11.730 10.303 -1.201 1.00 0.00 C ATOM 1338 C VAL A 90 -13.052 10.756 -0.594 1.00 0.00 C ATOM 1339 O VAL A 90 -13.207 10.691 0.620 1.00 0.00 O ATOM 1340 CB VAL A 90 -11.402 8.884 -0.724 1.00 0.00 C ATOM 1341 CG1 VAL A 90 -12.610 7.964 -0.907 1.00 0.00 C ATOM 1342 CG2 VAL A 90 -10.218 8.327 -1.521 1.00 0.00 C ATOM 0 H VAL A 90 -10.557 11.282 0.234 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.805 10.305 -2.288 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.145 8.928 0.334 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -12.359 6.961 -0.563 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.450 8.347 -0.327 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.884 7.928 -1.962 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.990 7.318 -1.177 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -10.473 8.300 -2.580 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.347 8.966 -1.374 1.00 0.00 H new ATOM 1352 N LYS A 91 -14.068 10.834 -1.450 1.00 0.00 N ATOM 1353 CA LYS A 91 -15.419 11.156 -1.008 1.00 0.00 C ATOM 1354 C LYS A 91 -16.351 10.060 -1.500 1.00 0.00 C ATOM 1355 O LYS A 91 -16.390 9.809 -2.699 1.00 0.00 O ATOM 1356 CB LYS A 91 -15.945 12.510 -1.520 1.00 0.00 C ATOM 1357 CG LYS A 91 -15.382 12.939 -2.883 1.00 0.00 C ATOM 1358 CD LYS A 91 -13.895 13.307 -2.804 1.00 0.00 C ATOM 1359 CE LYS A 91 -13.397 13.735 -4.183 1.00 0.00 C ATOM 1360 NZ LYS A 91 -11.957 14.102 -4.078 1.00 0.00 N ATOM 0 H LYS A 91 -13.979 10.678 -2.454 1.00 0.00 H new ATOM 0 HA LYS A 91 -15.388 11.227 0.079 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -17.032 12.460 -1.590 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -15.708 13.279 -0.785 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -15.517 12.130 -3.601 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -15.947 13.794 -3.255 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -13.748 14.114 -2.087 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -13.318 12.454 -2.447 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -13.529 12.925 -4.901 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -13.977 14.582 -4.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.553 14.199 -5.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.865 15.005 -3.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.446 13.359 -3.559 1.00 0.00 H new ATOM 1374 N CYS A 92 -17.297 9.665 -0.650 1.00 0.00 N ATOM 1375 CA CYS A 92 -18.249 8.635 -1.033 1.00 0.00 C ATOM 1376 C CYS A 92 -19.654 9.212 -1.080 1.00 0.00 C ATOM 1377 O CYS A 92 -20.153 9.726 -0.085 1.00 0.00 O ATOM 1378 CB CYS A 92 -18.237 7.455 -0.061 1.00 0.00 C ATOM 1379 SG CYS A 92 -18.077 8.014 1.650 1.00 0.00 S ATOM 0 H CYS A 92 -17.421 10.037 0.292 1.00 0.00 H new ATOM 0 HA CYS A 92 -17.952 8.276 -2.018 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -19.156 6.880 -0.173 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -17.411 6.788 -0.306 1.00 0.00 H new ATOM 1384 N LEU A 93 -20.355 8.867 -2.151 1.00 0.00 N ATOM 1385 CA LEU A 93 -21.701 9.364 -2.382 1.00 0.00 C ATOM 1386 C LEU A 93 -22.663 8.895 -1.292 1.00 0.00 C ATOM 1387 O LEU A 93 -23.518 9.666 -0.846 1.00 0.00 O ATOM 1388 CB LEU A 93 -22.178 8.938 -3.772 1.00 0.00 C ATOM 1389 CG LEU A 93 -21.381 9.712 -4.830 1.00 0.00 C ATOM 1390 CD1 LEU A 93 -21.610 9.136 -6.229 1.00 0.00 C ATOM 1391 CD2 LEU A 93 -21.816 11.181 -4.830 1.00 0.00 C ATOM 0 H LEU A 93 -20.009 8.240 -2.878 1.00 0.00 H new ATOM 0 HA LEU A 93 -21.683 10.453 -2.340 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -22.039 7.865 -3.906 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -23.244 9.138 -3.882 1.00 0.00 H new ATOM 0 HG LEU A 93 -20.323 9.626 -4.581 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -21.032 9.706 -6.956 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -21.292 8.093 -6.250 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -22.669 9.198 -6.479 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -21.248 11.729 -5.582 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -22.880 11.246 -5.060 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -21.630 11.616 -3.848 1.00 0.00 H new ATOM 1403 N GLU A 94 -22.546 7.630 -0.886 1.00 0.00 N ATOM 1404 CA GLU A 94 -23.511 7.046 0.042 1.00 0.00 C ATOM 1405 C GLU A 94 -23.458 7.690 1.426 1.00 0.00 C ATOM 1406 O GLU A 94 -24.503 8.041 1.981 1.00 0.00 O ATOM 1407 CB GLU A 94 -23.248 5.546 0.200 1.00 0.00 C ATOM 1408 CG GLU A 94 -23.531 4.840 -1.128 1.00 0.00 C ATOM 1409 CD GLU A 94 -24.998 5.033 -1.513 1.00 0.00 C ATOM 1410 OE1 GLU A 94 -25.851 4.779 -0.676 1.00 0.00 O ATOM 1411 OE2 GLU A 94 -25.221 5.718 -2.497 1.00 0.00 O ATOM 0 H GLU A 94 -21.802 6.998 -1.181 1.00 0.00 H new ATOM 0 HA GLU A 94 -24.498 7.226 -0.384 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -22.215 5.376 0.502 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -23.882 5.135 0.986 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -22.885 5.241 -1.909 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -23.305 3.777 -1.041 1.00 0.00 H new ATOM 1418 N CYS A 95 -22.255 7.930 1.943 1.00 0.00 N ATOM 1419 CA CYS A 95 -22.105 8.743 3.148 1.00 0.00 C ATOM 1420 C CYS A 95 -22.234 10.236 2.855 1.00 0.00 C ATOM 1421 O CYS A 95 -22.607 11.015 3.731 1.00 0.00 O ATOM 1422 CB CYS A 95 -20.767 8.455 3.834 1.00 0.00 C ATOM 1423 SG CYS A 95 -20.602 6.674 4.109 1.00 0.00 S ATOM 0 H CYS A 95 -21.381 7.579 1.553 1.00 0.00 H new ATOM 0 HA CYS A 95 -22.917 8.467 3.820 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -19.944 8.816 3.217 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -20.711 8.987 4.784 1.00 0.00 H new ATOM 1428 N GLY A 96 -21.774 10.640 1.673 1.00 0.00 N ATOM 1429 CA GLY A 96 -21.716 12.051 1.318 1.00 0.00 C ATOM 1430 C GLY A 96 -20.491 12.742 1.916 1.00 0.00 C ATOM 1431 O GLY A 96 -20.408 13.969 1.895 1.00 0.00 O ATOM 0 H GLY A 96 -21.437 10.008 0.947 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -21.695 12.151 0.233 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -22.620 12.550 1.667 1.00 0.00 H new ATOM 1435 N HIS A 97 -19.519 11.954 2.374 1.00 0.00 N ATOM 1436 CA HIS A 97 -18.431 12.467 3.206 1.00 0.00 C ATOM 1437 C HIS A 97 -17.055 12.240 2.590 1.00 0.00 C ATOM 1438 O HIS A 97 -16.874 11.347 1.768 1.00 0.00 O ATOM 1439 CB HIS A 97 -18.483 11.853 4.607 1.00 0.00 C ATOM 1440 CG HIS A 97 -19.733 12.325 5.295 1.00 0.00 C ATOM 1441 ND1 HIS A 97 -19.876 13.648 5.683 1.00 0.00 N ATOM 1442 CD2 HIS A 97 -20.722 11.649 5.965 1.00 0.00 C ATOM 1443 CE1 HIS A 97 -21.066 13.758 6.301 1.00 0.00 C ATOM 1444 NE2 HIS A 97 -21.653 12.567 6.449 1.00 0.00 N ATOM 0 H HIS A 97 -19.463 10.954 2.182 1.00 0.00 H new ATOM 0 HA HIS A 97 -18.580 13.545 3.275 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -18.475 10.765 4.543 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -17.603 12.145 5.180 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -20.771 10.578 6.096 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -21.493 14.692 6.635 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -22.578 12.372 6.832 1.00 0.00 H new ATOM 1453 N ILE A 98 -16.158 13.180 2.890 1.00 0.00 N ATOM 1454 CA ILE A 98 -14.792 13.174 2.371 1.00 0.00 C ATOM 1455 C ILE A 98 -13.819 12.658 3.428 1.00 0.00 C ATOM 1456 O ILE A 98 -13.971 12.948 4.613 1.00 0.00 O ATOM 1457 CB ILE A 98 -14.401 14.594 1.928 1.00 0.00 C ATOM 1458 CG1 ILE A 98 -12.960 14.651 1.399 1.00 0.00 C ATOM 1459 CG2 ILE A 98 -14.542 15.579 3.091 1.00 0.00 C ATOM 1460 CD1 ILE A 98 -12.780 13.758 0.172 1.00 0.00 C ATOM 0 H ILE A 98 -16.361 13.970 3.503 1.00 0.00 H new ATOM 0 HA ILE A 98 -14.743 12.506 1.511 1.00 0.00 H new ATOM 0 HB ILE A 98 -15.079 14.872 1.121 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -12.705 15.679 1.143 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -12.270 14.338 2.183 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -14.261 16.578 2.758 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -15.576 15.589 3.436 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -13.890 15.272 3.909 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -11.749 13.822 -0.177 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -13.010 12.726 0.436 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -13.452 14.088 -0.620 1.00 0.00 H new ATOM 1472 N MET A 99 -13.037 11.658 3.025 1.00 0.00 N ATOM 1473 CA MET A 99 -11.947 11.126 3.833 1.00 0.00 C ATOM 1474 C MET A 99 -10.624 11.318 3.094 1.00 0.00 C ATOM 1475 O MET A 99 -10.520 10.979 1.916 1.00 0.00 O ATOM 1476 CB MET A 99 -12.198 9.638 4.090 1.00 0.00 C ATOM 1477 CG MET A 99 -11.102 9.081 5.000 1.00 0.00 C ATOM 1478 SD MET A 99 -11.453 7.346 5.386 1.00 0.00 S ATOM 1479 CE MET A 99 -11.206 6.647 3.733 1.00 0.00 C ATOM 0 H MET A 99 -13.144 11.193 2.123 1.00 0.00 H new ATOM 0 HA MET A 99 -11.897 11.653 4.786 1.00 0.00 H new ATOM 0 HB2 MET A 99 -13.175 9.499 4.553 1.00 0.00 H new ATOM 0 HB3 MET A 99 -12.212 9.093 3.146 1.00 0.00 H new ATOM 0 HG2 MET A 99 -10.132 9.166 4.511 1.00 0.00 H new ATOM 0 HG3 MET A 99 -11.048 9.664 5.919 1.00 0.00 H new ATOM 0 HE1 MET A 99 -10.973 5.586 3.818 1.00 0.00 H new ATOM 0 HE2 MET A 99 -12.115 6.773 3.145 1.00 0.00 H new ATOM 0 HE3 MET A 99 -10.381 7.161 3.240 1.00 0.00 H new ATOM 1489 N ARG A 100 -9.664 11.955 3.761 1.00 0.00 N ATOM 1490 CA ARG A 100 -8.351 12.200 3.175 1.00 0.00 C ATOM 1491 C ARG A 100 -7.379 11.094 3.578 1.00 0.00 C ATOM 1492 O ARG A 100 -7.282 10.744 4.755 1.00 0.00 O ATOM 1493 CB ARG A 100 -7.824 13.560 3.647 1.00 0.00 C ATOM 1494 CG ARG A 100 -6.486 13.883 2.978 1.00 0.00 C ATOM 1495 CD ARG A 100 -5.988 15.236 3.490 1.00 0.00 C ATOM 1496 NE ARG A 100 -4.795 15.647 2.755 1.00 0.00 N ATOM 1497 CZ ARG A 100 -3.995 16.617 3.194 1.00 0.00 C ATOM 1498 NH1 ARG A 100 -4.396 17.430 4.141 1.00 0.00 N ATOM 1499 NH2 ARG A 100 -2.949 16.938 2.478 1.00 0.00 N ATOM 0 H ARG A 100 -9.773 12.311 4.711 1.00 0.00 H new ATOM 0 HA ARG A 100 -8.441 12.206 2.089 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -8.550 14.338 3.413 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -7.702 13.553 4.730 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -5.756 13.104 3.200 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -6.603 13.910 1.895 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.770 15.986 3.376 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -5.763 15.169 4.554 1.00 0.00 H new ATOM 0 HE ARG A 100 -4.568 15.177 1.879 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -5.326 17.322 4.546 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -3.778 18.171 4.473 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.760 16.449 1.603 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -2.322 17.678 2.794 1.00 0.00 H new ATOM 1513 N TYR A 101 -6.645 10.576 2.598 1.00 0.00 N ATOM 1514 CA TYR A 101 -5.625 9.567 2.855 1.00 0.00 C ATOM 1515 C TYR A 101 -4.257 10.101 2.441 1.00 0.00 C ATOM 1516 O TYR A 101 -4.017 10.302 1.252 1.00 0.00 O ATOM 1517 CB TYR A 101 -5.942 8.291 2.065 1.00 0.00 C ATOM 1518 CG TYR A 101 -5.956 7.098 2.993 1.00 0.00 C ATOM 1519 CD1 TYR A 101 -4.772 6.666 3.607 1.00 0.00 C ATOM 1520 CD2 TYR A 101 -7.128 6.344 3.153 1.00 0.00 C ATOM 1521 CE1 TYR A 101 -4.827 5.666 4.585 1.00 0.00 C ATOM 1522 CE2 TYR A 101 -7.118 5.194 3.954 1.00 0.00 C ATOM 1523 CZ TYR A 101 -5.974 4.870 4.693 1.00 0.00 C ATOM 1524 OH TYR A 101 -6.003 3.817 5.585 1.00 0.00 O ATOM 0 H TYR A 101 -6.738 10.839 1.617 1.00 0.00 H new ATOM 0 HA TYR A 101 -5.614 9.334 3.920 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -6.909 8.390 1.572 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -5.198 8.144 1.282 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.824 7.102 3.327 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -8.038 6.650 2.659 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -3.991 5.510 5.251 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -7.991 4.559 4.001 1.00 0.00 H new ATOM 0 HH TYR A 101 -6.873 3.369 5.534 1.00 0.00 H new ATOM 1534 N PRO A 102 -3.450 10.576 3.402 1.00 0.00 N ATOM 1535 CA PRO A 102 -2.033 10.956 3.135 1.00 0.00 C ATOM 1536 C PRO A 102 -1.207 9.762 2.672 1.00 0.00 C ATOM 1537 O PRO A 102 -1.425 8.644 3.140 1.00 0.00 O ATOM 1538 CB PRO A 102 -1.522 11.494 4.479 1.00 0.00 C ATOM 1539 CG PRO A 102 -2.740 11.765 5.298 1.00 0.00 C ATOM 1540 CD PRO A 102 -3.804 10.781 4.815 1.00 0.00 C ATOM 0 HA PRO A 102 -1.953 11.690 2.334 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -0.874 10.768 4.970 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -0.935 12.402 4.339 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -2.534 11.626 6.359 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.075 12.794 5.170 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.775 9.848 5.377 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.809 11.188 4.924 1.00 0.00 H new ATOM 1548 N TYR A 103 -0.273 10.001 1.751 1.00 0.00 N ATOM 1549 CA TYR A 103 0.677 8.970 1.347 1.00 0.00 C ATOM 1550 C TYR A 103 2.088 9.539 1.253 1.00 0.00 C ATOM 1551 O TYR A 103 2.320 10.501 0.528 1.00 0.00 O ATOM 1552 CB TYR A 103 0.219 8.379 0.008 1.00 0.00 C ATOM 1553 CG TYR A 103 1.174 7.304 -0.462 1.00 0.00 C ATOM 1554 CD1 TYR A 103 1.340 6.130 0.290 1.00 0.00 C ATOM 1555 CD2 TYR A 103 2.054 7.574 -1.516 1.00 0.00 C ATOM 1556 CE1 TYR A 103 2.349 5.222 -0.055 1.00 0.00 C ATOM 1557 CE2 TYR A 103 2.871 6.555 -2.011 1.00 0.00 C ATOM 1558 CZ TYR A 103 3.088 5.414 -1.230 1.00 0.00 C ATOM 1559 OH TYR A 103 4.023 4.478 -1.620 1.00 0.00 O ATOM 0 H TYR A 103 -0.156 10.895 1.274 1.00 0.00 H new ATOM 0 HA TYR A 103 0.704 8.179 2.096 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -0.782 7.961 0.114 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.157 9.169 -0.741 1.00 0.00 H new ATOM 0 HD1 TYR A 103 0.693 5.928 1.131 1.00 0.00 H new ATOM 0 HD2 TYR A 103 2.101 8.564 -1.944 1.00 0.00 H new ATOM 0 HE1 TYR A 103 2.557 4.376 0.583 1.00 0.00 H new ATOM 0 HE2 TYR A 103 3.330 6.646 -2.984 1.00 0.00 H new ATOM 0 HH TYR A 103 4.444 4.765 -2.457 1.00 0.00 H new ATOM 1569 N ILE A 104 3.015 8.939 1.999 1.00 0.00 N ATOM 1570 CA ILE A 104 4.420 9.341 1.949 1.00 0.00 C ATOM 1571 C ILE A 104 5.295 8.139 1.599 1.00 0.00 C ATOM 1572 O ILE A 104 5.044 7.030 2.064 1.00 0.00 O ATOM 1573 CB ILE A 104 4.844 9.975 3.282 1.00 0.00 C ATOM 1574 CG1 ILE A 104 4.031 11.256 3.510 1.00 0.00 C ATOM 1575 CG2 ILE A 104 6.343 10.313 3.262 1.00 0.00 C ATOM 1576 CD1 ILE A 104 4.227 11.768 4.939 1.00 0.00 C ATOM 0 H ILE A 104 2.819 8.174 2.644 1.00 0.00 H new ATOM 0 HA ILE A 104 4.550 10.092 1.170 1.00 0.00 H new ATOM 0 HB ILE A 104 4.657 9.267 4.089 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.340 12.021 2.798 1.00 0.00 H new ATOM 0 HG13 ILE A 104 2.974 11.060 3.329 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.628 10.762 4.214 1.00 0.00 H new ATOM 0 HG22 ILE A 104 6.919 9.402 3.104 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.547 11.016 2.454 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.643 12.677 5.083 1.00 0.00 H new ATOM 0 HD12 ILE A 104 3.896 11.008 5.646 1.00 0.00 H new ATOM 0 HD13 ILE A 104 5.282 11.984 5.107 1.00 0.00 H new ATOM 1588 N LYS A 105 6.169 8.335 0.612 1.00 0.00 N ATOM 1589 CA LYS A 105 7.147 7.318 0.236 1.00 0.00 C ATOM 1590 C LYS A 105 8.340 7.338 1.194 1.00 0.00 C ATOM 1591 O LYS A 105 9.394 6.857 0.812 1.00 0.00 O ATOM 1592 CB LYS A 105 7.619 7.571 -1.201 1.00 0.00 C ATOM 1593 CG LYS A 105 6.464 7.336 -2.180 1.00 0.00 C ATOM 1594 CD LYS A 105 6.959 7.604 -3.606 1.00 0.00 C ATOM 1595 CE LYS A 105 5.829 7.383 -4.613 1.00 0.00 C ATOM 1596 NZ LYS A 105 6.332 7.652 -5.989 1.00 0.00 N ATOM 0 H LYS A 105 6.219 9.190 0.059 1.00 0.00 H new ATOM 0 HA LYS A 105 6.678 6.336 0.296 1.00 0.00 H new ATOM 0 HB2 LYS A 105 7.986 8.593 -1.297 1.00 0.00 H new ATOM 0 HB3 LYS A 105 8.451 6.909 -1.441 1.00 0.00 H new ATOM 0 HG2 LYS A 105 6.099 6.312 -2.094 1.00 0.00 H new ATOM 0 HG3 LYS A 105 5.628 7.993 -1.941 1.00 0.00 H new ATOM 0 HD2 LYS A 105 7.329 8.626 -3.683 1.00 0.00 H new ATOM 0 HD3 LYS A 105 7.795 6.944 -3.838 1.00 0.00 H new ATOM 0 HE2 LYS A 105 5.459 6.360 -4.543 1.00 0.00 H new ATOM 0 HE3 LYS A 105 4.990 8.041 -4.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 5.565 7.502 -6.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 6.664 8.635 -6.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 7.119 7.006 -6.203 1.00 0.00 H new TER 1610 LYS A 105 HETATM 1611 ZN ZN A 124 -18.907 6.128 2.658 1.00 0.00 ZN