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 180:sc= 0 USER MOD Single : A 32 SER OG : rot 140:sc= 0.903 USER MOD Single : A 37 LYS NZ :NH3+ -127:sc= 0.39 (180deg=-1.08) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN :FLIP amide:sc= -0.732 F(o=-4.1!,f=-0.73) USER MOD Single : A 48 GLN : amide:sc= -0.337 X(o=-0.34,f=-0.38) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -169:sc= -0.141 (180deg=-0.307) 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= 0.96 K(o=0.96,f=-4.4!) USER MOD Single : A 75 ASN : amide:sc= -4.91! C(o=-4.9!,f=-9.1!) USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-1!) 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 :FLIP no HD1:sc= -1.39 F(o=-2.8,f=-1.4) USER MOD Single : A 91 LYS NZ :NH3+ 155:sc= -1.08! (180deg=-2.36!) USER MOD Single : A 97 HIS : no HE2:sc= 0.354 K(o=0.35,f=-4.4!) USER MOD Single : A 99 MET CE :methyl -174:sc= -0.418 (180deg=-0.546) 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 -19.184 -17.375 4.167 1.00 0.00 N ATOM 2 CA LYS A 15 -18.102 -17.718 3.200 1.00 0.00 C ATOM 3 C LYS A 15 -18.646 -17.583 1.777 1.00 0.00 C ATOM 4 O LYS A 15 -18.792 -16.468 1.279 1.00 0.00 O ATOM 5 CB LYS A 15 -17.608 -19.145 3.472 1.00 0.00 C ATOM 6 CG LYS A 15 -16.882 -19.195 4.822 1.00 0.00 C ATOM 7 CD LYS A 15 -16.391 -20.620 5.095 1.00 0.00 C ATOM 8 CE LYS A 15 -15.603 -20.658 6.408 1.00 0.00 C ATOM 9 NZ LYS A 15 -16.550 -20.663 7.558 1.00 0.00 N ATOM 0 HA LYS A 15 -17.258 -17.038 3.316 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -18.450 -19.837 3.476 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -16.936 -19.465 2.675 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -16.039 -18.505 4.817 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -17.553 -18.873 5.618 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -17.240 -21.302 5.150 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.761 -20.961 4.273 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -14.972 -21.546 6.440 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.941 -19.794 6.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.014 -20.689 8.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -17.134 -19.803 7.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -17.164 -21.501 7.499 1.00 0.00 H new ATOM 23 N GLU A 16 -19.197 -18.671 1.245 1.00 0.00 N ATOM 24 CA GLU A 16 -19.713 -18.686 -0.122 1.00 0.00 C ATOM 25 C GLU A 16 -20.928 -17.770 -0.275 1.00 0.00 C ATOM 26 O GLU A 16 -21.104 -17.145 -1.316 1.00 0.00 O ATOM 27 CB GLU A 16 -20.054 -20.119 -0.539 1.00 0.00 C ATOM 28 CG GLU A 16 -18.758 -20.932 -0.656 1.00 0.00 C ATOM 29 CD GLU A 16 -19.028 -22.403 -0.980 1.00 0.00 C ATOM 30 OE1 GLU A 16 -20.181 -22.778 -1.129 1.00 0.00 O ATOM 31 OE2 GLU A 16 -18.061 -23.132 -1.136 1.00 0.00 O ATOM 0 H GLU A 16 -19.298 -19.556 1.741 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.935 -18.303 -0.782 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -20.719 -20.575 0.194 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -20.584 -20.117 -1.492 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -18.128 -20.500 -1.434 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -18.202 -20.863 0.279 1.00 0.00 H new ATOM 38 N ARG A 17 -21.775 -17.719 0.751 1.00 0.00 N ATOM 39 CA ARG A 17 -22.938 -16.831 0.742 1.00 0.00 C ATOM 40 C ARG A 17 -22.526 -15.364 0.626 1.00 0.00 C ATOM 41 O ARG A 17 -22.870 -14.710 -0.356 1.00 0.00 O ATOM 42 CB ARG A 17 -23.710 -17.022 2.052 1.00 0.00 C ATOM 43 CG ARG A 17 -24.980 -16.164 2.053 1.00 0.00 C ATOM 44 CD ARG A 17 -25.707 -16.353 3.386 1.00 0.00 C ATOM 45 NE ARG A 17 -26.993 -15.671 3.352 1.00 0.00 N ATOM 46 CZ ARG A 17 -27.675 -15.412 4.471 1.00 0.00 C ATOM 47 NH1 ARG A 17 -27.157 -15.687 5.641 1.00 0.00 N ATOM 48 NH2 ARG A 17 -28.799 -14.747 4.405 1.00 0.00 N ATOM 0 H ARG A 17 -21.679 -18.280 1.597 1.00 0.00 H new ATOM 0 HA ARG A 17 -23.554 -17.082 -0.121 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -23.973 -18.072 2.177 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -23.078 -16.749 2.897 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -24.725 -15.114 1.909 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -25.629 -16.451 1.226 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -25.854 -17.415 3.582 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -25.099 -15.960 4.201 1.00 0.00 H new ATOM 0 HE ARG A 17 -27.382 -15.385 2.454 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -26.227 -16.102 5.702 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -27.683 -15.487 6.492 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -29.151 -14.429 3.502 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -29.324 -14.547 5.256 1.00 0.00 H new ATOM 62 N ILE A 18 -21.507 -15.007 1.391 1.00 0.00 N ATOM 63 CA ILE A 18 -20.907 -13.676 1.335 1.00 0.00 C ATOM 64 C ILE A 18 -20.315 -13.442 -0.051 1.00 0.00 C ATOM 65 O ILE A 18 -20.301 -12.318 -0.547 1.00 0.00 O ATOM 66 CB ILE A 18 -19.862 -13.537 2.440 1.00 0.00 C ATOM 67 CG1 ILE A 18 -20.576 -13.552 3.799 1.00 0.00 C ATOM 68 CG2 ILE A 18 -19.087 -12.223 2.285 1.00 0.00 C ATOM 69 CD1 ILE A 18 -19.570 -13.697 4.943 1.00 0.00 C ATOM 0 H ILE A 18 -21.069 -15.630 2.070 1.00 0.00 H new ATOM 0 HA ILE A 18 -21.666 -12.912 1.503 1.00 0.00 H new ATOM 0 HB ILE A 18 -19.157 -14.365 2.374 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -21.146 -12.631 3.925 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -21.290 -14.375 3.830 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -18.347 -12.141 3.081 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -18.583 -12.209 1.318 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -19.779 -11.383 2.345 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -20.100 -13.705 5.895 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -19.019 -14.630 4.827 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -18.873 -12.859 4.923 1.00 0.00 H new ATOM 81 N ASP A 19 -19.622 -14.466 -0.542 1.00 0.00 N ATOM 82 CA ASP A 19 -18.930 -14.407 -1.825 1.00 0.00 C ATOM 83 C ASP A 19 -19.923 -14.169 -2.963 1.00 0.00 C ATOM 84 O ASP A 19 -19.701 -13.298 -3.800 1.00 0.00 O ATOM 85 CB ASP A 19 -18.186 -15.736 -2.018 1.00 0.00 C ATOM 86 CG ASP A 19 -17.376 -15.803 -3.315 1.00 0.00 C ATOM 87 OD1 ASP A 19 -17.469 -14.900 -4.129 1.00 0.00 O ATOM 88 OD2 ASP A 19 -16.710 -16.807 -3.511 1.00 0.00 O ATOM 0 H ASP A 19 -19.525 -15.360 -0.061 1.00 0.00 H new ATOM 0 HA ASP A 19 -18.223 -13.577 -1.835 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -17.516 -15.894 -1.173 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -18.909 -16.552 -2.008 1.00 0.00 H new ATOM 93 N ILE A 20 -21.087 -14.813 -2.894 1.00 0.00 N ATOM 94 CA ILE A 20 -22.160 -14.570 -3.859 1.00 0.00 C ATOM 95 C ILE A 20 -22.665 -13.128 -3.773 1.00 0.00 C ATOM 96 O ILE A 20 -22.780 -12.457 -4.797 1.00 0.00 O ATOM 97 CB ILE A 20 -23.312 -15.556 -3.630 1.00 0.00 C ATOM 98 CG1 ILE A 20 -22.872 -16.987 -3.976 1.00 0.00 C ATOM 99 CG2 ILE A 20 -24.522 -15.166 -4.489 1.00 0.00 C ATOM 100 CD1 ILE A 20 -22.511 -17.135 -5.461 1.00 0.00 C ATOM 0 H ILE A 20 -21.312 -15.507 -2.181 1.00 0.00 H new ATOM 0 HA ILE A 20 -21.757 -14.724 -4.860 1.00 0.00 H new ATOM 0 HB ILE A 20 -23.592 -15.518 -2.577 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -22.011 -17.259 -3.365 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -23.673 -17.683 -3.727 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -25.333 -15.874 -4.318 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -24.852 -14.163 -4.219 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -24.241 -15.184 -5.542 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -22.206 -18.162 -5.661 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -23.379 -16.889 -6.073 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -21.692 -16.459 -5.705 1.00 0.00 H new ATOM 112 N LEU A 21 -22.857 -12.628 -2.552 1.00 0.00 N ATOM 113 CA LEU A 21 -23.239 -11.232 -2.342 1.00 0.00 C ATOM 114 C LEU A 21 -22.163 -10.284 -2.860 1.00 0.00 C ATOM 115 O LEU A 21 -22.476 -9.180 -3.287 1.00 0.00 O ATOM 116 CB LEU A 21 -23.545 -10.927 -0.874 1.00 0.00 C ATOM 117 CG LEU A 21 -24.983 -11.328 -0.513 1.00 0.00 C ATOM 118 CD1 LEU A 21 -25.169 -12.848 -0.549 1.00 0.00 C ATOM 119 CD2 LEU A 21 -25.322 -10.796 0.881 1.00 0.00 C ATOM 0 H LEU A 21 -22.754 -13.169 -1.694 1.00 0.00 H new ATOM 0 HA LEU A 21 -24.155 -11.073 -2.911 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -22.844 -11.463 -0.234 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -23.402 -9.863 -0.683 1.00 0.00 H new ATOM 0 HG LEU A 21 -25.655 -10.893 -1.253 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -26.198 -13.095 -0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -24.950 -13.218 -1.551 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -24.492 -13.314 0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -26.342 -11.079 1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -24.631 -11.220 1.610 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -25.234 -9.710 0.887 1.00 0.00 H new ATOM 131 N PHE A 22 -20.903 -10.639 -2.619 1.00 0.00 N ATOM 132 CA PHE A 22 -19.774 -9.822 -3.053 1.00 0.00 C ATOM 133 C PHE A 22 -19.796 -9.635 -4.569 1.00 0.00 C ATOM 134 O PHE A 22 -19.554 -8.532 -5.056 1.00 0.00 O ATOM 135 CB PHE A 22 -18.480 -10.526 -2.626 1.00 0.00 C ATOM 136 CG PHE A 22 -17.261 -9.779 -3.112 1.00 0.00 C ATOM 137 CD1 PHE A 22 -16.815 -8.621 -2.456 1.00 0.00 C ATOM 138 CD2 PHE A 22 -16.650 -10.194 -4.303 1.00 0.00 C ATOM 139 CE1 PHE A 22 -15.684 -7.951 -2.942 1.00 0.00 C ATOM 140 CE2 PHE A 22 -15.569 -9.477 -4.818 1.00 0.00 C ATOM 141 CZ PHE A 22 -15.012 -8.436 -4.073 1.00 0.00 C ATOM 0 H PHE A 22 -20.638 -11.490 -2.124 1.00 0.00 H new ATOM 0 HA PHE A 22 -19.835 -8.835 -2.594 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -18.450 -10.607 -1.539 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -18.468 -11.541 -3.022 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -17.338 -8.250 -1.586 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -17.015 -11.068 -4.822 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -15.330 -7.060 -2.445 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -15.165 -9.726 -5.788 1.00 0.00 H new ATOM 0 HZ PHE A 22 -14.066 -8.005 -4.367 1.00 0.00 H new ATOM 151 N SER A 23 -20.020 -10.721 -5.307 1.00 0.00 N ATOM 152 CA SER A 23 -20.169 -10.632 -6.759 1.00 0.00 C ATOM 153 C SER A 23 -21.360 -9.762 -7.159 1.00 0.00 C ATOM 154 O SER A 23 -21.301 -9.070 -8.176 1.00 0.00 O ATOM 155 CB SER A 23 -20.338 -12.043 -7.333 1.00 0.00 C ATOM 156 OG SER A 23 -20.813 -11.987 -8.672 1.00 0.00 O ATOM 0 H SER A 23 -20.102 -11.665 -4.928 1.00 0.00 H new ATOM 0 HA SER A 23 -19.273 -10.163 -7.165 1.00 0.00 H new ATOM 0 HB2 SER A 23 -19.385 -12.570 -7.302 1.00 0.00 H new ATOM 0 HB3 SER A 23 -21.036 -12.610 -6.718 1.00 0.00 H new ATOM 0 HG SER A 23 -20.913 -12.897 -9.022 1.00 0.00 H new ATOM 162 N LEU A 24 -22.492 -9.952 -6.482 1.00 0.00 N ATOM 163 CA LEU A 24 -23.681 -9.139 -6.730 1.00 0.00 C ATOM 164 C LEU A 24 -23.417 -7.676 -6.399 1.00 0.00 C ATOM 165 O LEU A 24 -23.886 -6.784 -7.102 1.00 0.00 O ATOM 166 CB LEU A 24 -24.856 -9.640 -5.883 1.00 0.00 C ATOM 167 CG LEU A 24 -25.336 -11.003 -6.398 1.00 0.00 C ATOM 168 CD1 LEU A 24 -26.319 -11.601 -5.388 1.00 0.00 C ATOM 169 CD2 LEU A 24 -26.033 -10.833 -7.752 1.00 0.00 C ATOM 0 H LEU A 24 -22.610 -10.661 -5.758 1.00 0.00 H new ATOM 0 HA LEU A 24 -23.929 -9.226 -7.788 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -24.552 -9.724 -4.840 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -25.674 -8.920 -5.920 1.00 0.00 H new ATOM 0 HG LEU A 24 -24.480 -11.667 -6.520 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -26.665 -12.570 -5.747 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -25.821 -11.727 -4.426 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -27.172 -10.932 -5.270 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -26.371 -11.805 -8.112 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -26.890 -10.169 -7.639 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -25.334 -10.404 -8.470 1.00 0.00 H new ATOM 181 N ALA A 25 -22.722 -7.451 -5.289 1.00 0.00 N ATOM 182 CA ALA A 25 -22.455 -6.099 -4.815 1.00 0.00 C ATOM 183 C ALA A 25 -21.613 -5.347 -5.837 1.00 0.00 C ATOM 184 O ALA A 25 -21.666 -4.123 -5.894 1.00 0.00 O ATOM 185 CB ALA A 25 -21.714 -6.145 -3.477 1.00 0.00 C ATOM 0 H ALA A 25 -22.333 -8.188 -4.701 1.00 0.00 H new ATOM 0 HA ALA A 25 -23.405 -5.583 -4.679 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -21.520 -5.129 -3.133 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -22.325 -6.667 -2.740 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -20.768 -6.672 -3.603 1.00 0.00 H new ATOM 191 N GLU A 26 -20.686 -6.064 -6.468 1.00 0.00 N ATOM 192 CA GLU A 26 -19.820 -5.448 -7.464 1.00 0.00 C ATOM 193 C GLU A 26 -20.605 -4.987 -8.694 1.00 0.00 C ATOM 194 O GLU A 26 -20.138 -4.079 -9.376 1.00 0.00 O ATOM 195 CB GLU A 26 -18.743 -6.460 -7.873 1.00 0.00 C ATOM 196 CG GLU A 26 -17.757 -5.835 -8.868 1.00 0.00 C ATOM 197 CD GLU A 26 -16.643 -6.815 -9.247 1.00 0.00 C ATOM 198 OE1 GLU A 26 -16.865 -8.013 -9.155 1.00 0.00 O ATOM 199 OE2 GLU A 26 -15.683 -6.364 -9.848 1.00 0.00 O ATOM 0 H GLU A 26 -20.518 -7.057 -6.309 1.00 0.00 H new ATOM 0 HA GLU A 26 -19.361 -4.562 -7.026 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -18.206 -6.803 -6.989 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -19.212 -7.336 -8.321 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -18.292 -5.526 -9.766 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -17.320 -4.937 -8.432 1.00 0.00 H new ATOM 206 N ARG A 27 -21.546 -5.801 -9.180 1.00 0.00 N ATOM 207 CA ARG A 27 -22.334 -5.403 -10.349 1.00 0.00 C ATOM 208 C ARG A 27 -23.232 -4.199 -10.066 1.00 0.00 C ATOM 209 O ARG A 27 -23.394 -3.324 -10.916 1.00 0.00 O ATOM 210 CB ARG A 27 -23.214 -6.566 -10.814 1.00 0.00 C ATOM 211 CG ARG A 27 -23.954 -6.157 -12.093 1.00 0.00 C ATOM 212 CD ARG A 27 -24.861 -7.293 -12.565 1.00 0.00 C ATOM 213 NE ARG A 27 -25.916 -7.516 -11.581 1.00 0.00 N ATOM 214 CZ ARG A 27 -27.055 -6.826 -11.618 1.00 0.00 C ATOM 215 NH1 ARG A 27 -27.195 -5.817 -12.440 1.00 0.00 N ATOM 216 NH2 ARG A 27 -28.010 -7.103 -10.771 1.00 0.00 N ATOM 0 H ARG A 27 -21.777 -6.717 -8.794 1.00 0.00 H new ATOM 0 HA ARG A 27 -21.621 -5.125 -11.125 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -22.602 -7.449 -11.000 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -23.929 -6.831 -10.035 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -24.547 -5.261 -11.908 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -23.235 -5.908 -12.874 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -25.298 -7.045 -13.532 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -24.279 -8.204 -12.702 1.00 0.00 H new ATOM 0 HE ARG A 27 -25.778 -8.214 -10.850 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -26.428 -5.553 -13.059 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -28.071 -5.294 -12.461 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -27.883 -7.846 -10.084 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -28.883 -6.576 -10.797 1.00 0.00 H new ATOM 230 N VAL A 28 -23.900 -4.217 -8.913 1.00 0.00 N ATOM 231 CA VAL A 28 -24.773 -3.118 -8.507 1.00 0.00 C ATOM 232 C VAL A 28 -23.941 -1.860 -8.277 1.00 0.00 C ATOM 233 O VAL A 28 -24.406 -0.742 -8.486 1.00 0.00 O ATOM 234 CB VAL A 28 -25.590 -3.514 -7.266 1.00 0.00 C ATOM 235 CG1 VAL A 28 -24.661 -3.823 -6.089 1.00 0.00 C ATOM 236 CG2 VAL A 28 -26.557 -2.392 -6.872 1.00 0.00 C ATOM 0 H VAL A 28 -23.852 -4.984 -8.242 1.00 0.00 H new ATOM 0 HA VAL A 28 -25.487 -2.902 -9.301 1.00 0.00 H new ATOM 0 HB VAL A 28 -26.165 -4.406 -7.514 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -25.256 -4.101 -5.219 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -23.999 -4.647 -6.355 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -24.066 -2.941 -5.854 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -27.125 -2.693 -5.992 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -25.992 -1.487 -6.647 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -27.243 -2.196 -7.697 1.00 0.00 H new ATOM 246 N PHE A 29 -22.767 -2.070 -7.692 1.00 0.00 N ATOM 247 CA PHE A 29 -21.893 -0.988 -7.258 1.00 0.00 C ATOM 248 C PHE A 29 -21.773 0.123 -8.306 1.00 0.00 C ATOM 249 O PHE A 29 -22.068 1.274 -7.995 1.00 0.00 O ATOM 250 CB PHE A 29 -20.547 -1.629 -6.895 1.00 0.00 C ATOM 251 CG PHE A 29 -19.412 -0.638 -6.833 1.00 0.00 C ATOM 252 CD1 PHE A 29 -19.566 0.505 -6.047 1.00 0.00 C ATOM 253 CD2 PHE A 29 -18.118 -1.130 -7.060 1.00 0.00 C ATOM 254 CE1 PHE A 29 -18.468 1.337 -5.843 1.00 0.00 C ATOM 255 CE2 PHE A 29 -17.017 -0.444 -6.548 1.00 0.00 C ATOM 256 CZ PHE A 29 -17.190 0.802 -5.946 1.00 0.00 C ATOM 0 H PHE A 29 -22.394 -3.001 -7.505 1.00 0.00 H new ATOM 0 HA PHE A 29 -22.308 -0.480 -6.388 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -20.638 -2.127 -5.930 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -20.309 -2.398 -7.630 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -20.522 0.741 -5.604 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -17.975 -2.037 -7.629 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -18.608 2.382 -5.608 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -16.030 -0.878 -6.618 1.00 0.00 H new ATOM 0 HZ PHE A 29 -16.339 1.346 -5.564 1.00 0.00 H new ATOM 266 N PRO A 30 -21.310 -0.165 -9.540 1.00 0.00 N ATOM 267 CA PRO A 30 -21.345 0.828 -10.659 1.00 0.00 C ATOM 268 C PRO A 30 -22.745 1.298 -11.057 1.00 0.00 C ATOM 269 O PRO A 30 -22.884 2.371 -11.643 1.00 0.00 O ATOM 270 CB PRO A 30 -20.697 0.078 -11.828 1.00 0.00 C ATOM 271 CG PRO A 30 -20.890 -1.367 -11.522 1.00 0.00 C ATOM 272 CD PRO A 30 -20.848 -1.484 -9.999 1.00 0.00 C ATOM 0 HA PRO A 30 -20.836 1.745 -10.361 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -21.165 0.346 -12.775 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -19.639 0.324 -11.915 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -21.842 -1.725 -11.915 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -20.108 -1.971 -11.982 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -21.496 -2.283 -9.640 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -19.842 -1.704 -9.641 1.00 0.00 H new ATOM 280 N TYR A 31 -23.729 0.408 -10.944 1.00 0.00 N ATOM 281 CA TYR A 31 -25.102 0.744 -11.321 1.00 0.00 C ATOM 282 C TYR A 31 -25.680 1.856 -10.451 1.00 0.00 C ATOM 283 O TYR A 31 -26.535 2.613 -10.905 1.00 0.00 O ATOM 284 CB TYR A 31 -25.985 -0.505 -11.238 1.00 0.00 C ATOM 285 CG TYR A 31 -25.863 -1.341 -12.495 1.00 0.00 C ATOM 286 CD1 TYR A 31 -24.638 -1.472 -13.171 1.00 0.00 C ATOM 287 CD2 TYR A 31 -27.014 -1.929 -13.032 1.00 0.00 C ATOM 288 CE1 TYR A 31 -24.570 -2.199 -14.364 1.00 0.00 C ATOM 289 CE2 TYR A 31 -26.931 -2.702 -14.197 1.00 0.00 C ATOM 290 CZ TYR A 31 -25.700 -2.876 -14.837 1.00 0.00 C ATOM 291 OH TYR A 31 -25.652 -3.519 -16.058 1.00 0.00 O ATOM 0 H TYR A 31 -23.604 -0.543 -10.598 1.00 0.00 H new ATOM 0 HA TYR A 31 -25.083 1.112 -12.347 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -25.698 -1.101 -10.372 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -27.024 -0.211 -11.092 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -23.748 -1.011 -12.769 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -27.968 -1.786 -12.547 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -23.645 -2.238 -14.920 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -27.819 -3.164 -14.602 1.00 0.00 H new ATOM 0 HH TYR A 31 -26.518 -3.941 -16.240 1.00 0.00 H new ATOM 301 N SER A 32 -25.456 1.711 -9.149 1.00 0.00 N ATOM 302 CA SER A 32 -25.994 2.631 -8.156 1.00 0.00 C ATOM 303 C SER A 32 -25.263 2.407 -6.840 1.00 0.00 C ATOM 304 O SER A 32 -25.253 1.289 -6.327 1.00 0.00 O ATOM 305 CB SER A 32 -27.496 2.407 -7.962 1.00 0.00 C ATOM 306 OG SER A 32 -27.900 2.945 -6.711 1.00 0.00 O ATOM 0 H SER A 32 -24.898 0.954 -8.754 1.00 0.00 H new ATOM 0 HA SER A 32 -25.848 3.655 -8.499 1.00 0.00 H new ATOM 0 HB2 SER A 32 -28.052 2.882 -8.770 1.00 0.00 H new ATOM 0 HB3 SER A 32 -27.723 1.342 -8.002 1.00 0.00 H new ATOM 0 HG SER A 32 -28.769 3.387 -6.810 1.00 0.00 H new ATOM 312 N PRO A 33 -24.528 3.404 -6.350 1.00 0.00 N ATOM 313 CA PRO A 33 -23.937 3.336 -4.987 1.00 0.00 C ATOM 314 C PRO A 33 -24.990 3.090 -3.910 1.00 0.00 C ATOM 315 O PRO A 33 -24.897 2.097 -3.195 1.00 0.00 O ATOM 316 CB PRO A 33 -23.275 4.707 -4.822 1.00 0.00 C ATOM 317 CG PRO A 33 -22.988 5.168 -6.210 1.00 0.00 C ATOM 318 CD PRO A 33 -24.134 4.632 -7.062 1.00 0.00 C ATOM 0 HA PRO A 33 -23.239 2.506 -4.877 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -23.934 5.403 -4.303 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -22.361 4.635 -4.233 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -22.937 6.256 -6.260 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -22.028 4.788 -6.559 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -24.957 5.344 -7.126 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -23.814 4.422 -8.083 1.00 0.00 H new ATOM 326 N GLU A 34 -26.145 3.728 -4.066 1.00 0.00 N ATOM 327 CA GLU A 34 -27.211 3.585 -3.079 1.00 0.00 C ATOM 328 C GLU A 34 -27.784 2.170 -3.057 1.00 0.00 C ATOM 329 O GLU A 34 -28.120 1.665 -1.989 1.00 0.00 O ATOM 330 CB GLU A 34 -28.329 4.593 -3.357 1.00 0.00 C ATOM 331 CG GLU A 34 -27.821 6.016 -3.083 1.00 0.00 C ATOM 332 CD GLU A 34 -28.865 7.082 -3.426 1.00 0.00 C ATOM 333 OE1 GLU A 34 -29.882 6.750 -4.017 1.00 0.00 O ATOM 334 OE2 GLU A 34 -28.552 8.248 -3.241 1.00 0.00 O ATOM 0 H GLU A 34 -26.366 4.339 -4.852 1.00 0.00 H new ATOM 0 HA GLU A 34 -26.775 3.783 -2.100 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -28.660 4.507 -4.392 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -29.192 4.377 -2.727 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -27.546 6.105 -2.032 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -26.917 6.195 -3.665 1.00 0.00 H new ATOM 341 N LEU A 35 -27.978 1.567 -4.232 1.00 0.00 N ATOM 342 CA LEU A 35 -28.380 0.163 -4.298 1.00 0.00 C ATOM 343 C LEU A 35 -27.300 -0.748 -3.713 1.00 0.00 C ATOM 344 O LEU A 35 -27.576 -1.516 -2.791 1.00 0.00 O ATOM 345 CB LEU A 35 -28.667 -0.254 -5.745 1.00 0.00 C ATOM 346 CG LEU A 35 -29.943 0.426 -6.260 1.00 0.00 C ATOM 347 CD1 LEU A 35 -30.088 0.168 -7.765 1.00 0.00 C ATOM 348 CD2 LEU A 35 -31.169 -0.118 -5.514 1.00 0.00 C ATOM 0 H LEU A 35 -27.865 2.022 -5.138 1.00 0.00 H new ATOM 0 HA LEU A 35 -29.290 0.057 -3.707 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -27.823 0.015 -6.381 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -28.777 -1.337 -5.802 1.00 0.00 H new ATOM 0 HG LEU A 35 -29.874 1.499 -6.083 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -30.994 0.651 -8.131 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -29.223 0.575 -8.289 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -30.150 -0.905 -7.946 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -32.069 0.371 -5.887 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -31.246 -1.193 -5.677 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -31.064 0.081 -4.447 1.00 0.00 H new ATOM 360 N ALA A 36 -26.047 -0.438 -4.042 1.00 0.00 N ATOM 361 CA ALA A 36 -24.901 -1.221 -3.585 1.00 0.00 C ATOM 362 C ALA A 36 -24.797 -1.154 -2.066 1.00 0.00 C ATOM 363 O ALA A 36 -24.184 -2.015 -1.444 1.00 0.00 O ATOM 364 CB ALA A 36 -23.616 -0.689 -4.225 1.00 0.00 C ATOM 0 H ALA A 36 -25.799 0.358 -4.629 1.00 0.00 H new ATOM 0 HA ALA A 36 -25.039 -2.260 -3.883 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -22.766 -1.278 -3.879 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -23.692 -0.764 -5.310 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -23.473 0.354 -3.942 1.00 0.00 H new ATOM 370 N LYS A 37 -25.146 0.018 -1.548 1.00 0.00 N ATOM 371 CA LYS A 37 -25.071 0.296 -0.122 1.00 0.00 C ATOM 372 C LYS A 37 -25.969 -0.679 0.630 1.00 0.00 C ATOM 373 O LYS A 37 -25.475 -1.444 1.456 1.00 0.00 O ATOM 374 CB LYS A 37 -25.575 1.738 0.050 1.00 0.00 C ATOM 375 CG LYS A 37 -25.131 2.397 1.360 1.00 0.00 C ATOM 376 CD LYS A 37 -25.835 1.793 2.578 1.00 0.00 C ATOM 377 CE LYS A 37 -25.359 2.524 3.842 1.00 0.00 C ATOM 378 NZ LYS A 37 -26.076 1.983 5.028 1.00 0.00 N ATOM 0 H LYS A 37 -25.488 0.800 -2.106 1.00 0.00 H new ATOM 0 HA LYS A 37 -24.060 0.184 0.269 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -25.220 2.339 -0.787 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -26.664 1.740 0.004 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -24.053 2.286 1.473 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -25.338 3.466 1.316 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -26.916 1.886 2.473 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -25.613 0.728 2.652 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -24.283 2.397 3.965 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -25.545 3.594 3.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -26.512 2.765 5.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -26.815 1.322 4.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -25.402 1.483 5.643 1.00 0.00 H new ATOM 392 N ARG A 38 -27.187 -0.860 0.119 1.00 0.00 N ATOM 393 CA ARG A 38 -28.111 -1.817 0.719 1.00 0.00 C ATOM 394 C ARG A 38 -27.629 -3.265 0.584 1.00 0.00 C ATOM 395 O ARG A 38 -27.683 -4.010 1.564 1.00 0.00 O ATOM 396 CB ARG A 38 -29.481 -1.659 0.052 1.00 0.00 C ATOM 397 CG ARG A 38 -30.103 -0.335 0.511 1.00 0.00 C ATOM 398 CD ARG A 38 -31.466 -0.132 -0.157 1.00 0.00 C ATOM 399 NE ARG A 38 -32.038 1.135 0.284 1.00 0.00 N ATOM 400 CZ ARG A 38 -33.326 1.435 0.103 1.00 0.00 C ATOM 401 NH1 ARG A 38 -34.073 0.694 -0.673 1.00 0.00 N ATOM 402 NH2 ARG A 38 -33.780 2.597 0.496 1.00 0.00 N ATOM 0 H ARG A 38 -27.551 -0.365 -0.695 1.00 0.00 H new ATOM 0 HA ARG A 38 -28.172 -1.604 1.786 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -29.376 -1.671 -1.033 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -30.129 -2.493 0.319 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -30.217 -0.335 1.595 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -29.440 0.493 0.260 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -31.356 -0.136 -1.241 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -32.135 -0.954 0.099 1.00 0.00 H new ATOM 0 HE ARG A 38 -31.434 1.814 0.746 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -33.672 -0.117 -1.143 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -35.057 0.927 -0.808 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -33.151 3.267 0.938 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -34.763 2.833 0.361 1.00 0.00 H new ATOM 416 N TYR A 39 -27.115 -3.649 -0.588 1.00 0.00 N ATOM 417 CA TYR A 39 -26.663 -5.029 -0.794 1.00 0.00 C ATOM 418 C TYR A 39 -25.498 -5.437 0.106 1.00 0.00 C ATOM 419 O TYR A 39 -25.395 -6.606 0.473 1.00 0.00 O ATOM 420 CB TYR A 39 -26.283 -5.294 -2.255 1.00 0.00 C ATOM 421 CG TYR A 39 -27.520 -5.338 -3.125 1.00 0.00 C ATOM 422 CD1 TYR A 39 -28.387 -6.435 -3.029 1.00 0.00 C ATOM 423 CD2 TYR A 39 -27.861 -4.253 -3.944 1.00 0.00 C ATOM 424 CE1 TYR A 39 -29.607 -6.423 -3.709 1.00 0.00 C ATOM 425 CE2 TYR A 39 -28.963 -4.362 -4.804 1.00 0.00 C ATOM 426 CZ TYR A 39 -29.864 -5.425 -4.655 1.00 0.00 C ATOM 427 OH TYR A 39 -30.935 -5.548 -5.518 1.00 0.00 O ATOM 0 H TYR A 39 -27.002 -3.037 -1.396 1.00 0.00 H new ATOM 0 HA TYR A 39 -27.522 -5.642 -0.520 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -25.610 -4.513 -2.609 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -25.744 -6.238 -2.331 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -28.112 -7.290 -2.429 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -27.281 -3.342 -3.913 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -30.349 -7.181 -3.505 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -29.117 -3.627 -5.581 1.00 0.00 H new ATOM 0 HH TYR A 39 -30.970 -4.767 -6.109 1.00 0.00 H new ATOM 437 N VAL A 40 -24.486 -4.575 0.184 1.00 0.00 N ATOM 438 CA VAL A 40 -23.311 -4.835 1.013 1.00 0.00 C ATOM 439 C VAL A 40 -23.692 -4.873 2.490 1.00 0.00 C ATOM 440 O VAL A 40 -23.136 -5.644 3.261 1.00 0.00 O ATOM 441 CB VAL A 40 -22.226 -3.790 0.745 1.00 0.00 C ATOM 442 CG1 VAL A 40 -21.088 -3.949 1.763 1.00 0.00 C ATOM 443 CG2 VAL A 40 -21.659 -3.984 -0.664 1.00 0.00 C ATOM 0 H VAL A 40 -24.456 -3.688 -0.319 1.00 0.00 H new ATOM 0 HA VAL A 40 -22.908 -5.813 0.749 1.00 0.00 H new ATOM 0 HB VAL A 40 -22.664 -2.796 0.834 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -20.318 -3.203 1.568 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -21.480 -3.811 2.771 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.657 -4.946 1.674 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -20.887 -3.238 -0.851 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -21.228 -4.982 -0.749 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -22.458 -3.871 -1.397 1.00 0.00 H new ATOM 453 N GLU A 41 -24.517 -3.914 2.900 1.00 0.00 N ATOM 454 CA GLU A 41 -24.819 -3.695 4.312 1.00 0.00 C ATOM 455 C GLU A 41 -25.531 -4.933 4.847 1.00 0.00 C ATOM 456 O GLU A 41 -25.113 -5.504 5.853 1.00 0.00 O ATOM 457 CB GLU A 41 -25.742 -2.478 4.421 1.00 0.00 C ATOM 458 CG GLU A 41 -26.034 -2.139 5.886 1.00 0.00 C ATOM 459 CD GLU A 41 -26.957 -0.920 5.996 1.00 0.00 C ATOM 460 OE1 GLU A 41 -27.539 -0.556 4.981 1.00 0.00 O ATOM 461 OE2 GLU A 41 -27.431 -0.716 7.102 1.00 0.00 O ATOM 0 H GLU A 41 -24.993 -3.270 2.268 1.00 0.00 H new ATOM 0 HA GLU A 41 -23.909 -3.519 4.886 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -25.279 -1.621 3.931 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -26.677 -2.678 3.897 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -26.498 -2.996 6.375 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -25.099 -1.940 6.410 1.00 0.00 H new ATOM 468 N LEU A 42 -26.289 -5.527 3.931 1.00 0.00 N ATOM 469 CA LEU A 42 -26.743 -6.906 4.051 1.00 0.00 C ATOM 470 C LEU A 42 -25.596 -7.916 4.097 1.00 0.00 C ATOM 471 O LEU A 42 -25.632 -8.811 4.935 1.00 0.00 O ATOM 472 CB LEU A 42 -27.644 -7.167 2.838 1.00 0.00 C ATOM 473 CG LEU A 42 -28.070 -8.635 2.713 1.00 0.00 C ATOM 474 CD1 LEU A 42 -28.895 -9.095 3.917 1.00 0.00 C ATOM 475 CD2 LEU A 42 -28.898 -8.786 1.432 1.00 0.00 C ATOM 0 H LEU A 42 -26.607 -5.062 3.081 1.00 0.00 H new ATOM 0 HA LEU A 42 -27.273 -7.036 4.994 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -28.533 -6.541 2.912 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -27.118 -6.868 1.931 1.00 0.00 H new ATOM 0 HG LEU A 42 -27.176 -9.257 2.677 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -29.176 -10.140 3.788 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -28.303 -8.988 4.826 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -29.795 -8.485 3.996 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -29.212 -9.824 1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -29.777 -8.145 1.489 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -28.294 -8.497 0.572 1.00 0.00 H new ATOM 487 N ALA A 43 -24.572 -7.775 3.256 1.00 0.00 N ATOM 488 CA ALA A 43 -23.445 -8.707 3.314 1.00 0.00 C ATOM 489 C ALA A 43 -22.677 -8.617 4.635 1.00 0.00 C ATOM 490 O ALA A 43 -22.257 -9.639 5.172 1.00 0.00 O ATOM 491 CB ALA A 43 -22.480 -8.445 2.152 1.00 0.00 C ATOM 0 H ALA A 43 -24.498 -7.047 2.546 1.00 0.00 H new ATOM 0 HA ALA A 43 -23.863 -9.711 3.238 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -21.646 -9.145 2.207 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -23.005 -8.579 1.206 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -22.102 -7.425 2.216 1.00 0.00 H new ATOM 497 N LEU A 44 -22.472 -7.400 5.136 1.00 0.00 N ATOM 498 CA LEU A 44 -21.899 -7.189 6.464 1.00 0.00 C ATOM 499 C LEU A 44 -22.793 -7.738 7.575 1.00 0.00 C ATOM 500 O LEU A 44 -22.301 -8.316 8.544 1.00 0.00 O ATOM 501 CB LEU A 44 -21.610 -5.697 6.667 1.00 0.00 C ATOM 502 CG LEU A 44 -20.253 -5.327 6.046 1.00 0.00 C ATOM 503 CD1 LEU A 44 -20.197 -5.704 4.560 1.00 0.00 C ATOM 504 CD2 LEU A 44 -20.025 -3.818 6.182 1.00 0.00 C ATOM 0 H LEU A 44 -22.696 -6.539 4.637 1.00 0.00 H new ATOM 0 HA LEU A 44 -20.964 -7.746 6.522 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -22.401 -5.101 6.211 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -21.607 -5.462 7.731 1.00 0.00 H new ATOM 0 HG LEU A 44 -19.478 -5.881 6.575 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -19.225 -5.429 4.151 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -20.346 -6.778 4.451 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -20.981 -5.173 4.020 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -19.063 -3.554 5.742 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -20.820 -3.282 5.664 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -20.029 -3.543 7.237 1.00 0.00 H new ATOM 516 N LEU A 45 -24.099 -7.528 7.439 1.00 0.00 N ATOM 517 CA LEU A 45 -25.070 -8.090 8.372 1.00 0.00 C ATOM 518 C LEU A 45 -25.021 -9.618 8.318 1.00 0.00 C ATOM 519 O LEU A 45 -25.084 -10.290 9.343 1.00 0.00 O ATOM 520 CB LEU A 45 -26.477 -7.575 8.049 1.00 0.00 C ATOM 521 CG LEU A 45 -27.502 -8.148 9.036 1.00 0.00 C ATOM 522 CD1 LEU A 45 -27.116 -7.788 10.476 1.00 0.00 C ATOM 523 CD2 LEU A 45 -28.884 -7.567 8.727 1.00 0.00 C ATOM 0 H LEU A 45 -24.510 -6.971 6.690 1.00 0.00 H new ATOM 0 HA LEU A 45 -24.818 -7.773 9.384 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -26.491 -6.486 8.094 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -26.748 -7.856 7.031 1.00 0.00 H new ATOM 0 HG LEU A 45 -27.521 -9.233 8.933 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -27.853 -8.202 11.164 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -26.134 -8.202 10.704 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -27.086 -6.704 10.585 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -29.614 -7.973 9.427 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -28.852 -6.482 8.824 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -29.171 -7.832 7.709 1.00 0.00 H new ATOM 535 N VAL A 46 -24.905 -10.158 7.109 1.00 0.00 N ATOM 536 CA VAL A 46 -24.708 -11.591 6.919 1.00 0.00 C ATOM 537 C VAL A 46 -23.400 -12.021 7.579 1.00 0.00 C ATOM 538 O VAL A 46 -23.328 -13.110 8.140 1.00 0.00 O ATOM 539 CB VAL A 46 -24.707 -11.926 5.422 1.00 0.00 C ATOM 540 CG1 VAL A 46 -24.282 -13.379 5.193 1.00 0.00 C ATOM 541 CG2 VAL A 46 -26.117 -11.731 4.857 1.00 0.00 C ATOM 0 H VAL A 46 -24.944 -9.622 6.242 1.00 0.00 H new ATOM 0 HA VAL A 46 -25.527 -12.138 7.387 1.00 0.00 H new ATOM 0 HB VAL A 46 -24.001 -11.264 4.920 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -24.288 -13.596 4.125 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -23.278 -13.531 5.588 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -24.977 -14.046 5.703 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -26.119 -11.968 3.793 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -26.812 -12.390 5.377 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -26.425 -10.695 4.998 1.00 0.00 H new ATOM 551 N GLN A 47 -22.339 -11.242 7.381 1.00 0.00 N ATOM 552 CA GLN A 47 -21.017 -11.632 7.861 1.00 0.00 C ATOM 553 C GLN A 47 -20.993 -11.775 9.382 1.00 0.00 C ATOM 554 O GLN A 47 -20.305 -12.653 9.900 1.00 0.00 O ATOM 555 CB GLN A 47 -20.024 -10.534 7.466 1.00 0.00 C ATOM 556 CG GLN A 47 -18.607 -10.878 7.930 1.00 0.00 C ATOM 557 CD GLN A 47 -17.661 -9.739 7.565 1.00 0.00 C ATOM 558 OE1 GLN A 47 -16.622 -9.973 6.814 1.00 0.00 O flip ATOM 559 NE2 GLN A 47 -17.831 -8.617 8.043 1.00 0.00 N flip ATOM 0 H GLN A 47 -22.368 -10.345 6.896 1.00 0.00 H new ATOM 0 HA GLN A 47 -20.756 -12.594 7.419 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -20.034 -10.403 6.384 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -20.333 -9.585 7.905 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -18.596 -11.043 9.007 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -18.275 -11.805 7.462 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -18.643 -8.431 8.631 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -17.160 -7.874 7.851 1.00 0.00 H new ATOM 568 N GLN A 48 -21.596 -10.826 10.097 1.00 0.00 N ATOM 569 CA GLN A 48 -21.696 -10.945 11.549 1.00 0.00 C ATOM 570 C GLN A 48 -22.592 -12.108 11.971 1.00 0.00 C ATOM 571 O GLN A 48 -22.208 -12.900 12.834 1.00 0.00 O ATOM 572 CB GLN A 48 -22.169 -9.626 12.172 1.00 0.00 C ATOM 573 CG GLN A 48 -23.588 -9.269 11.722 1.00 0.00 C ATOM 574 CD GLN A 48 -24.012 -7.933 12.325 1.00 0.00 C ATOM 575 OE1 GLN A 48 -23.283 -6.950 12.200 1.00 0.00 O ATOM 576 NE2 GLN A 48 -24.964 -7.925 13.220 1.00 0.00 N ATOM 0 H GLN A 48 -22.015 -9.983 9.704 1.00 0.00 H new ATOM 0 HA GLN A 48 -20.697 -11.163 11.926 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -22.140 -9.705 13.259 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -21.485 -8.825 11.892 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -23.629 -9.215 10.634 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -24.282 -10.051 12.029 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -25.571 -8.738 13.327 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -25.101 -7.106 13.812 1.00 0.00 H new ATOM 585 N LYS A 49 -23.719 -12.287 11.282 1.00 0.00 N ATOM 586 CA LYS A 49 -24.607 -13.413 11.562 1.00 0.00 C ATOM 587 C LYS A 49 -23.923 -14.745 11.270 1.00 0.00 C ATOM 588 O LYS A 49 -24.233 -15.747 11.909 1.00 0.00 O ATOM 589 CB LYS A 49 -25.888 -13.305 10.726 1.00 0.00 C ATOM 590 CG LYS A 49 -26.721 -12.079 11.118 1.00 0.00 C ATOM 591 CD LYS A 49 -27.245 -12.203 12.553 1.00 0.00 C ATOM 592 CE LYS A 49 -28.075 -10.963 12.904 1.00 0.00 C ATOM 593 NZ LYS A 49 -28.601 -11.093 14.291 1.00 0.00 N ATOM 0 H LYS A 49 -24.036 -11.672 10.532 1.00 0.00 H new ATOM 0 HA LYS A 49 -24.859 -13.376 12.622 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -25.628 -13.245 9.669 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -26.485 -14.207 10.857 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -26.114 -11.179 11.026 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -27.559 -11.970 10.430 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -27.854 -13.101 12.652 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -26.412 -12.304 13.248 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -27.462 -10.066 12.819 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -28.900 -10.853 12.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -29.164 -10.252 14.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -29.200 -11.941 14.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -27.807 -11.178 14.957 1.00 0.00 H new ATOM 607 N ALA A 50 -23.207 -14.797 10.148 1.00 0.00 N ATOM 608 CA ALA A 50 -22.409 -15.970 9.806 1.00 0.00 C ATOM 609 C ALA A 50 -21.158 -16.068 10.675 1.00 0.00 C ATOM 610 O ALA A 50 -20.466 -17.081 10.648 1.00 0.00 O ATOM 611 CB ALA A 50 -22.001 -15.893 8.332 1.00 0.00 C ATOM 0 H ALA A 50 -23.164 -14.042 9.463 1.00 0.00 H new ATOM 0 HA ALA A 50 -23.015 -16.858 9.985 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -21.405 -16.768 8.073 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -22.894 -15.865 7.708 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -21.413 -14.991 8.164 1.00 0.00 H new ATOM 617 N LYS A 51 -20.802 -14.961 11.325 1.00 0.00 N ATOM 618 CA LYS A 51 -19.654 -14.926 12.226 1.00 0.00 C ATOM 619 C LYS A 51 -18.389 -15.458 11.556 1.00 0.00 C ATOM 620 O LYS A 51 -17.747 -16.373 12.076 1.00 0.00 O ATOM 621 CB LYS A 51 -19.941 -15.687 13.523 1.00 0.00 C ATOM 622 CG LYS A 51 -19.053 -15.115 14.635 1.00 0.00 C ATOM 623 CD LYS A 51 -19.408 -15.752 15.980 1.00 0.00 C ATOM 624 CE LYS A 51 -18.506 -15.165 17.070 1.00 0.00 C ATOM 625 NZ LYS A 51 -18.860 -15.765 18.385 1.00 0.00 N ATOM 0 H LYS A 51 -21.296 -14.072 11.243 1.00 0.00 H new ATOM 0 HA LYS A 51 -19.479 -13.880 12.477 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.993 -15.591 13.792 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.742 -16.750 13.389 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -18.004 -15.300 14.403 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -19.181 -14.034 14.692 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -20.455 -15.566 16.219 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -19.280 -16.833 15.929 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -17.460 -15.364 16.837 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -18.623 -14.082 17.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -18.247 -15.366 19.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -19.854 -15.553 18.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -18.727 -16.796 18.344 1.00 0.00 H new ATOM 639 N VAL A 52 -17.925 -14.762 10.521 1.00 0.00 N ATOM 640 CA VAL A 52 -16.704 -15.172 9.834 1.00 0.00 C ATOM 641 C VAL A 52 -15.756 -13.986 9.714 1.00 0.00 C ATOM 642 O VAL A 52 -16.193 -12.840 9.615 1.00 0.00 O ATOM 643 CB VAL A 52 -17.022 -15.705 8.430 1.00 0.00 C ATOM 644 CG1 VAL A 52 -17.899 -16.959 8.518 1.00 0.00 C ATOM 645 CG2 VAL A 52 -17.757 -14.639 7.608 1.00 0.00 C ATOM 0 H VAL A 52 -18.368 -13.924 10.144 1.00 0.00 H new ATOM 0 HA VAL A 52 -16.235 -15.965 10.416 1.00 0.00 H new ATOM 0 HB VAL A 52 -16.079 -15.955 7.943 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -18.115 -17.323 7.514 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -17.374 -17.732 9.079 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -18.833 -16.715 9.024 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -17.976 -15.032 6.615 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -18.689 -14.374 8.107 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -17.129 -13.753 7.517 1.00 0.00 H new ATOM 655 N LYS A 53 -14.474 -14.301 9.555 1.00 0.00 N ATOM 656 CA LYS A 53 -13.447 -13.276 9.428 1.00 0.00 C ATOM 657 C LYS A 53 -12.812 -13.383 8.048 1.00 0.00 C ATOM 658 O LYS A 53 -12.089 -14.341 7.772 1.00 0.00 O ATOM 659 CB LYS A 53 -12.410 -13.470 10.541 1.00 0.00 C ATOM 660 CG LYS A 53 -11.348 -12.363 10.517 1.00 0.00 C ATOM 661 CD LYS A 53 -10.385 -12.577 11.689 1.00 0.00 C ATOM 662 CE LYS A 53 -9.319 -11.478 11.711 1.00 0.00 C ATOM 663 NZ LYS A 53 -8.415 -11.701 12.874 1.00 0.00 N ATOM 0 H LYS A 53 -14.123 -15.258 9.511 1.00 0.00 H new ATOM 0 HA LYS A 53 -13.876 -12.279 9.531 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -12.910 -13.475 11.509 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -11.928 -14.441 10.426 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -10.804 -12.383 9.573 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.822 -11.384 10.592 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.939 -12.574 12.628 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.908 -13.553 11.603 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.748 -11.489 10.783 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.790 -10.498 11.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.688 -10.958 12.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.968 -11.670 13.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.958 -12.631 12.785 1.00 0.00 H new ATOM 677 N ILE A 54 -12.842 -12.263 7.332 1.00 0.00 N ATOM 678 CA ILE A 54 -12.163 -12.150 6.047 1.00 0.00 C ATOM 679 C ILE A 54 -11.327 -10.875 6.043 1.00 0.00 C ATOM 680 O ILE A 54 -11.880 -9.776 6.056 1.00 0.00 O ATOM 681 CB ILE A 54 -13.196 -12.095 4.911 1.00 0.00 C ATOM 682 CG1 ILE A 54 -14.493 -11.446 5.410 1.00 0.00 C ATOM 683 CG2 ILE A 54 -13.480 -13.519 4.414 1.00 0.00 C ATOM 684 CD1 ILE A 54 -15.489 -11.273 4.261 1.00 0.00 C ATOM 0 H ILE A 54 -13.332 -11.417 7.623 1.00 0.00 H new ATOM 0 HA ILE A 54 -11.520 -13.017 5.895 1.00 0.00 H new ATOM 0 HB ILE A 54 -12.799 -11.497 4.091 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.936 -12.062 6.192 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.272 -10.476 5.855 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -14.213 -13.484 3.608 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -12.557 -13.967 4.046 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -13.872 -14.119 5.235 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -16.402 -10.811 4.637 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -15.051 -10.637 3.492 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -15.725 -12.248 3.834 1.00 0.00 H new ATOM 696 N PRO A 55 -9.996 -10.997 6.172 1.00 0.00 N ATOM 697 CA PRO A 55 -9.108 -9.806 6.277 1.00 0.00 C ATOM 698 C PRO A 55 -9.252 -8.847 5.098 1.00 0.00 C ATOM 699 O PRO A 55 -8.918 -7.672 5.239 1.00 0.00 O ATOM 700 CB PRO A 55 -7.699 -10.403 6.346 1.00 0.00 C ATOM 701 CG PRO A 55 -7.884 -11.773 6.908 1.00 0.00 C ATOM 702 CD PRO A 55 -9.264 -12.246 6.454 1.00 0.00 C ATOM 0 HA PRO A 55 -9.357 -9.195 7.145 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.238 -10.441 5.359 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.047 -9.802 6.979 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.106 -12.447 6.550 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.818 -11.758 7.996 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.198 -12.878 5.568 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.759 -12.833 7.228 1.00 0.00 H new ATOM 710 N ARG A 56 -9.396 -9.417 3.902 1.00 0.00 N ATOM 711 CA ARG A 56 -9.357 -8.624 2.674 1.00 0.00 C ATOM 712 C ARG A 56 -10.733 -8.466 2.020 1.00 0.00 C ATOM 713 O ARG A 56 -10.963 -7.446 1.372 1.00 0.00 O ATOM 714 CB ARG A 56 -8.291 -9.194 1.732 1.00 0.00 C ATOM 715 CG ARG A 56 -6.922 -8.890 2.356 1.00 0.00 C ATOM 716 CD ARG A 56 -5.773 -9.441 1.508 1.00 0.00 C ATOM 717 NE ARG A 56 -4.512 -9.112 2.168 1.00 0.00 N ATOM 718 CZ ARG A 56 -3.331 -9.199 1.558 1.00 0.00 C ATOM 719 NH1 ARG A 56 -3.245 -9.704 0.356 1.00 0.00 N ATOM 720 NH2 ARG A 56 -2.236 -9.028 2.251 1.00 0.00 N ATOM 0 H ARG A 56 -9.540 -10.416 3.758 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.068 -7.604 2.928 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.425 -10.268 1.605 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.371 -8.743 0.743 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.806 -7.812 2.468 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.875 -9.322 3.356 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.870 -10.521 1.393 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.800 -9.010 0.507 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.537 -8.802 3.139 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.085 -10.034 -0.120 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.338 -9.768 -0.107 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.290 -8.830 3.250 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.327 -9.093 1.793 1.00 0.00 H new ATOM 734 N LYS A 57 -11.534 -9.534 1.960 1.00 0.00 N ATOM 735 CA LYS A 57 -12.580 -9.609 0.939 1.00 0.00 C ATOM 736 C LYS A 57 -13.647 -8.522 1.077 1.00 0.00 C ATOM 737 O LYS A 57 -14.222 -8.117 0.067 1.00 0.00 O ATOM 738 CB LYS A 57 -13.293 -10.966 0.958 1.00 0.00 C ATOM 739 CG LYS A 57 -12.373 -12.091 0.476 1.00 0.00 C ATOM 740 CD LYS A 57 -13.149 -13.410 0.517 1.00 0.00 C ATOM 741 CE LYS A 57 -12.267 -14.556 0.018 1.00 0.00 C ATOM 742 NZ LYS A 57 -13.040 -15.825 0.068 1.00 0.00 N ATOM 0 H LYS A 57 -11.482 -10.337 2.587 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.052 -9.464 -0.004 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -13.636 -11.184 1.969 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -14.178 -10.922 0.324 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.026 -11.888 -0.537 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.488 -12.153 1.109 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.481 -13.614 1.535 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.044 -13.334 -0.101 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.935 -14.358 -1.001 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.372 -14.637 0.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.445 -16.608 -0.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.336 -16.013 1.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.881 -15.743 -0.538 1.00 0.00 H new ATOM 756 N TRP A 58 -14.117 -8.260 2.296 1.00 0.00 N ATOM 757 CA TRP A 58 -15.037 -7.144 2.501 1.00 0.00 C ATOM 758 C TRP A 58 -14.402 -5.984 3.257 1.00 0.00 C ATOM 759 O TRP A 58 -14.515 -4.846 2.805 1.00 0.00 O ATOM 760 CB TRP A 58 -16.285 -7.633 3.246 1.00 0.00 C ATOM 761 CG TRP A 58 -17.410 -7.817 2.276 1.00 0.00 C ATOM 762 CD1 TRP A 58 -17.872 -9.010 1.837 1.00 0.00 C ATOM 763 CD2 TRP A 58 -17.968 -6.811 1.376 1.00 0.00 C ATOM 764 NE1 TRP A 58 -18.806 -8.785 0.846 1.00 0.00 N ATOM 765 CE2 TRP A 58 -18.824 -7.463 0.454 1.00 0.00 C ATOM 766 CE3 TRP A 58 -17.612 -5.478 1.110 1.00 0.00 C ATOM 767 CZ2 TRP A 58 -19.332 -6.799 -0.665 1.00 0.00 C ATOM 768 CZ3 TRP A 58 -17.999 -4.869 -0.088 1.00 0.00 C ATOM 769 CH2 TRP A 58 -18.854 -5.528 -0.979 1.00 0.00 C ATOM 0 H TRP A 58 -13.884 -8.790 3.136 1.00 0.00 H new ATOM 0 HA TRP A 58 -15.310 -6.768 1.515 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -16.072 -8.574 3.754 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -16.568 -6.913 4.014 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -17.562 -9.978 2.201 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -19.409 -9.508 0.452 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -17.037 -4.921 1.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -20.087 -7.266 -1.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -17.635 -3.881 -0.328 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -19.142 -5.054 -1.906 1.00 0.00 H new ATOM 780 N LYS A 59 -13.479 -6.306 4.156 1.00 0.00 N ATOM 781 CA LYS A 59 -12.873 -5.300 5.020 1.00 0.00 C ATOM 782 C LYS A 59 -12.066 -4.276 4.225 1.00 0.00 C ATOM 783 O LYS A 59 -11.821 -3.182 4.731 1.00 0.00 O ATOM 784 CB LYS A 59 -12.033 -5.985 6.103 1.00 0.00 C ATOM 785 CG LYS A 59 -12.975 -6.722 7.064 1.00 0.00 C ATOM 786 CD LYS A 59 -12.181 -7.446 8.155 1.00 0.00 C ATOM 787 CE LYS A 59 -13.154 -8.163 9.096 1.00 0.00 C ATOM 788 NZ LYS A 59 -12.383 -8.884 10.145 1.00 0.00 N ATOM 0 H LYS A 59 -13.134 -7.254 4.305 1.00 0.00 H new ATOM 0 HA LYS A 59 -13.669 -4.738 5.509 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.331 -6.686 5.650 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.442 -5.247 6.645 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -13.665 -6.012 7.520 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.578 -7.441 6.509 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.495 -8.164 7.706 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.575 -6.733 8.714 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.830 -7.443 9.556 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.770 -8.865 8.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.019 -9.518 10.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.628 -9.443 9.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.962 -8.196 10.801 1.00 0.00 H new ATOM 802 N ARG A 60 -11.333 -4.771 3.232 1.00 0.00 N ATOM 803 CA ARG A 60 -10.399 -3.941 2.475 1.00 0.00 C ATOM 804 C ARG A 60 -11.027 -3.419 1.184 1.00 0.00 C ATOM 805 O ARG A 60 -10.421 -2.617 0.477 1.00 0.00 O ATOM 806 CB ARG A 60 -9.131 -4.751 2.179 1.00 0.00 C ATOM 807 CG ARG A 60 -8.446 -5.106 3.503 1.00 0.00 C ATOM 808 CD ARG A 60 -7.885 -3.840 4.162 1.00 0.00 C ATOM 809 NE ARG A 60 -7.335 -4.168 5.469 1.00 0.00 N ATOM 810 CZ ARG A 60 -8.032 -3.955 6.587 1.00 0.00 C ATOM 811 NH1 ARG A 60 -9.253 -3.480 6.533 1.00 0.00 N ATOM 812 NH2 ARG A 60 -7.506 -4.243 7.750 1.00 0.00 N ATOM 0 H ARG A 60 -11.367 -5.745 2.932 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.141 -3.069 3.076 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.383 -5.658 1.630 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.455 -4.175 1.548 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.158 -5.588 4.172 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.642 -5.820 3.325 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -7.111 -3.403 3.531 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -8.672 -3.093 4.265 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.399 -4.568 5.532 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -9.679 -3.270 5.630 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -9.777 -3.321 7.394 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -6.564 -4.630 7.802 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -8.038 -4.080 8.605 1.00 0.00 H new ATOM 826 N ARG A 61 -12.288 -3.776 0.958 1.00 0.00 N ATOM 827 CA ARG A 61 -12.978 -3.425 -0.278 1.00 0.00 C ATOM 828 C ARG A 61 -14.168 -2.494 -0.047 1.00 0.00 C ATOM 829 O ARG A 61 -15.106 -2.533 -0.835 1.00 0.00 O ATOM 830 CB ARG A 61 -13.400 -4.678 -1.053 1.00 0.00 C ATOM 831 CG ARG A 61 -12.142 -5.366 -1.593 1.00 0.00 C ATOM 832 CD ARG A 61 -12.515 -6.636 -2.362 1.00 0.00 C ATOM 833 NE ARG A 61 -11.304 -7.283 -2.856 1.00 0.00 N ATOM 834 CZ ARG A 61 -10.796 -7.016 -4.060 1.00 0.00 C ATOM 835 NH1 ARG A 61 -11.219 -5.987 -4.745 1.00 0.00 N ATOM 836 NH2 ARG A 61 -9.764 -7.690 -4.491 1.00 0.00 N ATOM 0 H ARG A 61 -12.854 -4.310 1.618 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.262 -2.871 -0.886 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.953 -5.356 -0.403 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -14.066 -4.409 -1.873 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.599 -4.684 -2.247 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.474 -5.616 -0.768 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.065 -7.318 -1.713 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.173 -6.389 -3.195 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.830 -7.962 -2.261 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -11.943 -5.381 -4.360 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.825 -5.790 -5.665 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.350 -8.417 -3.908 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.372 -7.489 -5.411 1.00 0.00 H new ATOM 850 N TYR A 62 -14.243 -1.818 1.102 1.00 0.00 N ATOM 851 CA TYR A 62 -15.456 -1.065 1.432 1.00 0.00 C ATOM 852 C TYR A 62 -15.116 0.209 2.201 1.00 0.00 C ATOM 853 O TYR A 62 -13.956 0.441 2.534 1.00 0.00 O ATOM 854 CB TYR A 62 -16.413 -1.927 2.266 1.00 0.00 C ATOM 855 CG TYR A 62 -16.079 -1.856 3.742 1.00 0.00 C ATOM 856 CD1 TYR A 62 -14.882 -2.398 4.223 1.00 0.00 C ATOM 857 CD2 TYR A 62 -17.124 -1.637 4.653 1.00 0.00 C ATOM 858 CE1 TYR A 62 -14.551 -2.194 5.568 1.00 0.00 C ATOM 859 CE2 TYR A 62 -16.852 -1.608 6.023 1.00 0.00 C ATOM 860 CZ TYR A 62 -15.560 -1.881 6.484 1.00 0.00 C ATOM 861 OH TYR A 62 -15.309 -1.950 7.840 1.00 0.00 O ATOM 0 H TYR A 62 -13.502 -1.775 1.802 1.00 0.00 H new ATOM 0 HA TYR A 62 -15.942 -0.791 0.496 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -17.438 -1.592 2.107 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -16.360 -2.962 1.929 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -14.229 -2.960 3.572 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -18.133 -1.492 4.297 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -13.525 -2.278 5.895 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -17.639 -1.375 6.725 1.00 0.00 H new ATOM 0 HH TYR A 62 -16.117 -1.700 8.335 1.00 0.00 H new ATOM 871 N CYS A 63 -16.072 1.138 2.207 1.00 0.00 N ATOM 872 CA CYS A 63 -15.955 2.362 2.998 1.00 0.00 C ATOM 873 C CYS A 63 -16.396 2.092 4.431 1.00 0.00 C ATOM 874 O CYS A 63 -17.421 1.443 4.643 1.00 0.00 O ATOM 875 CB CYS A 63 -16.813 3.484 2.397 1.00 0.00 C ATOM 876 SG CYS A 63 -17.170 4.787 3.611 1.00 0.00 S ATOM 0 H CYS A 63 -16.937 1.065 1.672 1.00 0.00 H new ATOM 0 HA CYS A 63 -14.913 2.680 2.989 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -16.296 3.917 1.541 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -17.749 3.066 2.027 1.00 0.00 H new ATOM 881 N LYS A 64 -15.859 2.909 5.330 1.00 0.00 N ATOM 882 CA LYS A 64 -16.162 2.793 6.749 1.00 0.00 C ATOM 883 C LYS A 64 -17.651 3.048 6.980 1.00 0.00 C ATOM 884 O LYS A 64 -18.226 2.509 7.921 1.00 0.00 O ATOM 885 CB LYS A 64 -15.345 3.844 7.508 1.00 0.00 C ATOM 886 CG LYS A 64 -13.848 3.520 7.438 1.00 0.00 C ATOM 887 CD LYS A 64 -13.064 4.605 8.183 1.00 0.00 C ATOM 888 CE LYS A 64 -11.564 4.301 8.130 1.00 0.00 C ATOM 889 NZ LYS A 64 -10.823 5.378 8.845 1.00 0.00 N ATOM 0 H LYS A 64 -15.210 3.661 5.099 1.00 0.00 H new ATOM 0 HA LYS A 64 -15.912 1.792 7.101 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -15.529 4.831 7.084 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -15.666 3.880 8.549 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.654 2.544 7.882 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.523 3.468 6.399 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.261 5.579 7.736 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.396 4.657 9.220 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.360 3.334 8.591 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.229 4.238 7.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.803 5.178 8.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -11.011 6.292 8.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -11.137 5.417 9.836 1.00 0.00 H new ATOM 903 N LYS A 65 -18.198 4.030 6.260 1.00 0.00 N ATOM 904 CA LYS A 65 -19.625 4.342 6.328 1.00 0.00 C ATOM 905 C LYS A 65 -20.435 3.917 5.101 1.00 0.00 C ATOM 906 O LYS A 65 -21.636 3.703 5.263 1.00 0.00 O ATOM 907 CB LYS A 65 -19.863 5.828 6.609 1.00 0.00 C ATOM 908 CG LYS A 65 -21.372 6.052 6.765 1.00 0.00 C ATOM 909 CD LYS A 65 -21.673 7.513 7.099 1.00 0.00 C ATOM 910 CE LYS A 65 -23.186 7.683 7.269 1.00 0.00 C ATOM 911 NZ LYS A 65 -23.495 9.102 7.601 1.00 0.00 N ATOM 0 H LYS A 65 -17.670 4.624 5.621 1.00 0.00 H new ATOM 0 HA LYS A 65 -19.990 3.741 7.161 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -19.338 6.132 7.515 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -19.471 6.436 5.794 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -21.883 5.772 5.844 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -21.760 5.407 7.553 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -21.156 7.805 8.013 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -21.308 8.164 6.305 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -23.700 7.393 6.353 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -23.549 7.026 8.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -24.522 9.216 7.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -23.016 9.364 8.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -23.162 9.719 6.832 1.00 0.00 H new ATOM 925 N CYS A 66 -19.851 3.665 3.924 1.00 0.00 N ATOM 926 CA CYS A 66 -20.762 3.276 2.846 1.00 0.00 C ATOM 927 C CYS A 66 -21.340 1.909 3.177 1.00 0.00 C ATOM 928 O CYS A 66 -22.436 1.596 2.729 1.00 0.00 O ATOM 929 CB CYS A 66 -20.180 3.121 1.431 1.00 0.00 C ATOM 930 SG CYS A 66 -19.337 4.538 0.680 1.00 0.00 S ATOM 0 H CYS A 66 -18.856 3.715 3.705 1.00 0.00 H new ATOM 0 HA CYS A 66 -21.465 4.108 2.808 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -19.475 2.290 1.452 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -20.995 2.831 0.768 1.00 0.00 H new ATOM 935 N HIS A 67 -20.527 1.047 3.782 1.00 0.00 N ATOM 936 CA HIS A 67 -20.920 -0.346 3.960 1.00 0.00 C ATOM 937 C HIS A 67 -21.025 -0.981 2.574 1.00 0.00 C ATOM 938 O HIS A 67 -22.115 -1.454 2.274 1.00 0.00 O ATOM 939 CB HIS A 67 -22.239 -0.458 4.738 1.00 0.00 C ATOM 940 CG HIS A 67 -22.041 0.085 6.128 1.00 0.00 C ATOM 941 ND1 HIS A 67 -22.196 1.434 6.406 1.00 0.00 N ATOM 942 CD2 HIS A 67 -21.636 -0.496 7.307 1.00 0.00 C ATOM 943 CE1 HIS A 67 -22.079 1.579 7.737 1.00 0.00 C ATOM 944 NE2 HIS A 67 -21.566 0.482 8.299 1.00 0.00 N ATOM 0 H HIS A 67 -19.606 1.284 4.152 1.00 0.00 H new ATOM 0 HA HIS A 67 -20.174 -0.875 4.552 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -23.025 0.097 4.226 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -22.561 -1.498 4.783 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -22.367 2.177 5.728 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -21.408 -1.543 7.443 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -22.363 2.468 8.281 1.00 0.00 H new ATOM 953 N ALA A 68 -20.314 -0.317 1.660 1.00 0.00 N ATOM 954 CA ALA A 68 -20.410 -0.557 0.218 1.00 0.00 C ATOM 955 C ALA A 68 -19.026 -0.732 -0.404 1.00 0.00 C ATOM 956 O ALA A 68 -18.057 -0.156 0.078 1.00 0.00 O ATOM 957 CB ALA A 68 -21.145 0.583 -0.487 1.00 0.00 C ATOM 0 H ALA A 68 -19.645 0.413 1.904 1.00 0.00 H new ATOM 0 HA ALA A 68 -20.978 -1.477 0.084 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -21.200 0.375 -1.556 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -22.153 0.671 -0.082 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -20.607 1.517 -0.326 1.00 0.00 H new ATOM 963 N PHE A 69 -18.987 -1.357 -1.580 1.00 0.00 N ATOM 964 CA PHE A 69 -17.726 -1.681 -2.246 1.00 0.00 C ATOM 965 C PHE A 69 -16.931 -0.410 -2.547 1.00 0.00 C ATOM 966 O PHE A 69 -17.466 0.525 -3.137 1.00 0.00 O ATOM 967 CB PHE A 69 -18.025 -2.381 -3.578 1.00 0.00 C ATOM 968 CG PHE A 69 -16.870 -3.270 -3.980 1.00 0.00 C ATOM 969 CD1 PHE A 69 -15.652 -2.701 -4.380 1.00 0.00 C ATOM 970 CD2 PHE A 69 -17.043 -4.661 -4.053 1.00 0.00 C ATOM 971 CE1 PHE A 69 -14.620 -3.528 -4.828 1.00 0.00 C ATOM 972 CE2 PHE A 69 -16.135 -5.418 -4.812 1.00 0.00 C ATOM 973 CZ PHE A 69 -14.895 -4.864 -5.157 1.00 0.00 C ATOM 0 H PHE A 69 -19.818 -1.650 -2.093 1.00 0.00 H new ATOM 0 HA PHE A 69 -17.145 -2.326 -1.587 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -18.934 -2.975 -3.487 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -18.206 -1.637 -4.354 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -15.513 -1.631 -4.342 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -17.860 -5.141 -3.535 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.616 -3.142 -4.921 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -16.391 -6.419 -5.127 1.00 0.00 H new ATOM 0 HZ PHE A 69 -14.157 -5.461 -5.672 1.00 0.00 H new ATOM 983 N LEU A 70 -15.642 -0.405 -2.208 1.00 0.00 N ATOM 984 CA LEU A 70 -14.836 0.805 -2.341 1.00 0.00 C ATOM 985 C LEU A 70 -13.954 0.654 -3.580 1.00 0.00 C ATOM 986 O LEU A 70 -12.906 0.012 -3.541 1.00 0.00 O ATOM 987 CB LEU A 70 -13.964 0.939 -1.083 1.00 0.00 C ATOM 988 CG LEU A 70 -13.407 2.355 -0.864 1.00 0.00 C ATOM 989 CD1 LEU A 70 -12.981 3.038 -2.169 1.00 0.00 C ATOM 990 CD2 LEU A 70 -14.467 3.209 -0.163 1.00 0.00 C ATOM 0 H LEU A 70 -15.140 -1.215 -1.844 1.00 0.00 H new ATOM 0 HA LEU A 70 -15.461 1.692 -2.446 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -14.552 0.651 -0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -13.132 0.238 -1.152 1.00 0.00 H new ATOM 0 HG LEU A 70 -12.513 2.261 -0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -12.596 4.034 -1.950 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.203 2.447 -2.652 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.840 3.119 -2.834 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -14.078 4.215 -0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -15.362 3.260 -0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -14.717 2.761 0.799 1.00 0.00 H new ATOM 1002 N VAL A 71 -14.324 1.394 -4.621 1.00 0.00 N ATOM 1003 CA VAL A 71 -13.442 1.704 -5.740 1.00 0.00 C ATOM 1004 C VAL A 71 -13.619 3.184 -6.072 1.00 0.00 C ATOM 1005 O VAL A 71 -14.751 3.666 -6.078 1.00 0.00 O ATOM 1006 CB VAL A 71 -13.815 0.816 -6.938 1.00 0.00 C ATOM 1007 CG1 VAL A 71 -13.028 1.213 -8.189 1.00 0.00 C ATOM 1008 CG2 VAL A 71 -13.515 -0.649 -6.606 1.00 0.00 C ATOM 0 H VAL A 71 -15.255 1.800 -4.712 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.399 1.510 -5.492 1.00 0.00 H new ATOM 0 HB VAL A 71 -14.878 0.949 -7.137 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.314 0.567 -9.019 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -13.248 2.250 -8.444 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -11.961 1.106 -7.997 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.780 -1.277 -7.457 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -12.453 -0.763 -6.388 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -14.098 -0.952 -5.736 1.00 0.00 H new ATOM 1018 N PRO A 72 -12.548 3.943 -6.343 1.00 0.00 N ATOM 1019 CA PRO A 72 -12.701 5.347 -6.811 1.00 0.00 C ATOM 1020 C PRO A 72 -13.438 5.419 -8.146 1.00 0.00 C ATOM 1021 O PRO A 72 -13.066 4.732 -9.096 1.00 0.00 O ATOM 1022 CB PRO A 72 -11.267 5.874 -6.914 1.00 0.00 C ATOM 1023 CG PRO A 72 -10.424 4.927 -6.128 1.00 0.00 C ATOM 1024 CD PRO A 72 -11.132 3.574 -6.183 1.00 0.00 C ATOM 0 HA PRO A 72 -13.305 5.947 -6.130 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -10.941 5.917 -7.953 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.193 6.886 -6.515 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -9.421 4.858 -6.549 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -10.315 5.267 -5.098 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -10.777 2.967 -7.016 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.967 2.995 -5.274 1.00 0.00 H new ATOM 1032 N GLY A 73 -14.244 6.467 -8.281 1.00 0.00 N ATOM 1033 CA GLY A 73 -14.948 6.770 -9.521 1.00 0.00 C ATOM 1034 C GLY A 73 -16.405 6.310 -9.492 1.00 0.00 C ATOM 1035 O GLY A 73 -17.176 6.712 -10.363 1.00 0.00 O ATOM 0 H GLY A 73 -14.428 7.132 -7.530 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.913 7.844 -9.702 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.435 6.289 -10.354 1.00 0.00 H new ATOM 1039 N ILE A 74 -16.745 5.362 -8.614 1.00 0.00 N ATOM 1040 CA ILE A 74 -18.059 4.721 -8.700 1.00 0.00 C ATOM 1041 C ILE A 74 -19.019 5.163 -7.590 1.00 0.00 C ATOM 1042 O ILE A 74 -19.796 6.093 -7.794 1.00 0.00 O ATOM 1043 CB ILE A 74 -17.890 3.198 -8.663 1.00 0.00 C ATOM 1044 CG1 ILE A 74 -17.101 2.741 -9.898 1.00 0.00 C ATOM 1045 CG2 ILE A 74 -19.277 2.550 -8.673 1.00 0.00 C ATOM 1046 CD1 ILE A 74 -16.691 1.275 -9.751 1.00 0.00 C ATOM 0 H ILE A 74 -16.148 5.029 -7.857 1.00 0.00 H new ATOM 0 HA ILE A 74 -18.505 5.034 -9.644 1.00 0.00 H new ATOM 0 HB ILE A 74 -17.349 2.904 -7.763 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -17.709 2.868 -10.794 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -16.215 3.363 -10.023 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -19.172 1.465 -8.647 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -19.840 2.881 -7.800 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -19.808 2.841 -9.579 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -16.132 0.963 -10.633 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -16.066 1.159 -8.866 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -17.583 0.656 -9.649 1.00 0.00 H new ATOM 1058 N ASN A 75 -18.804 4.662 -6.369 1.00 0.00 N ATOM 1059 CA ASN A 75 -19.593 5.093 -5.213 1.00 0.00 C ATOM 1060 C ASN A 75 -18.840 6.149 -4.423 1.00 0.00 C ATOM 1061 O ASN A 75 -19.391 6.804 -3.538 1.00 0.00 O ATOM 1062 CB ASN A 75 -19.892 3.915 -4.279 1.00 0.00 C ATOM 1063 CG ASN A 75 -18.622 3.354 -3.636 1.00 0.00 C ATOM 1064 OD1 ASN A 75 -17.507 3.664 -4.057 1.00 0.00 O ATOM 1065 ND2 ASN A 75 -18.726 2.689 -2.519 1.00 0.00 N ATOM 0 H ASN A 75 -18.094 3.961 -6.157 1.00 0.00 H new ATOM 0 HA ASN A 75 -20.529 5.503 -5.592 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -20.581 4.238 -3.498 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -20.393 3.126 -4.840 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -17.887 2.429 -2.000 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -19.646 2.429 -2.164 1.00 0.00 H new ATOM 1072 N ALA A 76 -17.623 6.398 -4.887 1.00 0.00 N ATOM 1073 CA ALA A 76 -16.692 7.262 -4.188 1.00 0.00 C ATOM 1074 C ALA A 76 -15.676 7.757 -5.197 1.00 0.00 C ATOM 1075 O ALA A 76 -15.306 7.020 -6.103 1.00 0.00 O ATOM 1076 CB ALA A 76 -15.998 6.508 -3.048 1.00 0.00 C ATOM 0 H ALA A 76 -17.258 6.007 -5.755 1.00 0.00 H new ATOM 0 HA ALA A 76 -17.223 8.102 -3.741 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -15.304 7.177 -2.539 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -16.746 6.152 -2.339 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -15.450 5.658 -3.455 1.00 0.00 H new ATOM 1082 N ARG A 77 -15.151 8.950 -4.968 1.00 0.00 N ATOM 1083 CA ARG A 77 -14.277 9.560 -5.954 1.00 0.00 C ATOM 1084 C ARG A 77 -13.035 10.095 -5.263 1.00 0.00 C ATOM 1085 O ARG A 77 -13.128 10.651 -4.170 1.00 0.00 O ATOM 1086 CB ARG A 77 -15.005 10.664 -6.720 1.00 0.00 C ATOM 1087 CG ARG A 77 -14.075 11.203 -7.809 1.00 0.00 C ATOM 1088 CD ARG A 77 -14.794 12.275 -8.629 1.00 0.00 C ATOM 1089 NE ARG A 77 -13.958 12.634 -9.765 1.00 0.00 N ATOM 1090 CZ ARG A 77 -14.350 13.513 -10.685 1.00 0.00 C ATOM 1091 NH1 ARG A 77 -15.393 14.270 -10.456 1.00 0.00 N ATOM 1092 NH2 ARG A 77 -13.941 13.341 -11.915 1.00 0.00 N ATOM 0 H ARG A 77 -15.310 9.504 -4.127 1.00 0.00 H new ATOM 0 HA ARG A 77 -13.977 8.807 -6.682 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -15.921 10.274 -7.164 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -15.296 11.466 -6.041 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -13.176 11.622 -7.356 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -13.755 10.390 -8.460 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -15.759 11.903 -8.973 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -14.991 13.152 -8.013 1.00 0.00 H new ATOM 0 HE ARG A 77 -13.041 12.198 -9.860 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -15.901 14.185 -9.576 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -15.697 14.945 -11.158 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -13.339 12.551 -12.147 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -14.224 13.997 -12.643 1.00 0.00 H new ATOM 1106 N VAL A 78 -11.894 9.976 -5.934 1.00 0.00 N ATOM 1107 CA VAL A 78 -10.624 10.312 -5.314 1.00 0.00 C ATOM 1108 C VAL A 78 -9.899 11.354 -6.158 1.00 0.00 C ATOM 1109 O VAL A 78 -10.071 11.408 -7.375 1.00 0.00 O ATOM 1110 CB VAL A 78 -9.773 9.050 -5.132 1.00 0.00 C ATOM 1111 CG1 VAL A 78 -9.227 8.564 -6.479 1.00 0.00 C ATOM 1112 CG2 VAL A 78 -8.598 9.334 -4.190 1.00 0.00 C ATOM 0 H VAL A 78 -11.826 9.652 -6.899 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.803 10.737 -4.326 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.409 8.276 -4.703 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.626 7.668 -6.326 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.057 8.335 -7.147 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.609 9.344 -6.924 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -8.002 8.430 -4.069 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.977 10.125 -4.611 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.979 9.650 -3.219 1.00 0.00 H new ATOM 1122 N ARG A 79 -9.433 12.371 -5.445 1.00 0.00 N ATOM 1123 CA ARG A 79 -8.517 13.360 -5.994 1.00 0.00 C ATOM 1124 C ARG A 79 -7.116 13.128 -5.455 1.00 0.00 C ATOM 1125 O ARG A 79 -6.943 12.809 -4.281 1.00 0.00 O ATOM 1126 CB ARG A 79 -8.999 14.762 -5.596 1.00 0.00 C ATOM 1127 CG ARG A 79 -10.052 15.295 -6.571 1.00 0.00 C ATOM 1128 CD ARG A 79 -9.338 15.747 -7.851 1.00 0.00 C ATOM 1129 NE ARG A 79 -10.265 16.396 -8.771 1.00 0.00 N ATOM 1130 CZ ARG A 79 -10.550 15.913 -9.985 1.00 0.00 C ATOM 1131 NH1 ARG A 79 -10.049 14.776 -10.403 1.00 0.00 N ATOM 1132 NH2 ARG A 79 -11.126 16.709 -10.852 1.00 0.00 N ATOM 0 H ARG A 79 -9.680 12.533 -4.469 1.00 0.00 H new ATOM 0 HA ARG A 79 -8.494 13.271 -7.080 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.417 14.731 -4.590 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -8.150 15.445 -5.568 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -10.785 14.521 -6.798 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -10.595 16.128 -6.125 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -8.532 16.435 -7.597 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -8.880 14.886 -8.339 1.00 0.00 H new ATOM 0 HE ARG A 79 -10.718 17.260 -8.474 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -9.427 14.240 -9.798 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -10.281 14.428 -11.333 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.346 17.671 -10.594 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -11.355 16.367 -11.785 1.00 0.00 H new ATOM 1146 N LEU A 80 -6.143 13.222 -6.356 1.00 0.00 N ATOM 1147 CA LEU A 80 -4.752 12.990 -5.998 1.00 0.00 C ATOM 1148 C LEU A 80 -4.024 14.327 -6.078 1.00 0.00 C ATOM 1149 O LEU A 80 -3.977 14.940 -7.143 1.00 0.00 O ATOM 1150 CB LEU A 80 -4.145 11.999 -6.999 1.00 0.00 C ATOM 1151 CG LEU A 80 -4.986 10.713 -7.043 1.00 0.00 C ATOM 1152 CD1 LEU A 80 -6.071 10.842 -8.120 1.00 0.00 C ATOM 1153 CD2 LEU A 80 -4.097 9.508 -7.368 1.00 0.00 C ATOM 0 H LEU A 80 -6.294 13.457 -7.337 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.665 12.577 -4.993 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.104 12.450 -7.990 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.120 11.763 -6.713 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.449 10.565 -6.067 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.665 9.929 -8.149 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.717 11.688 -7.886 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.602 11.001 -9.091 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.705 8.604 -7.396 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.623 9.657 -8.338 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.329 9.405 -6.601 1.00 0.00 H new ATOM 1165 N ARG A 81 -3.381 14.726 -4.986 1.00 0.00 N ATOM 1166 CA ARG A 81 -2.736 16.034 -4.941 1.00 0.00 C ATOM 1167 C ARG A 81 -1.224 15.861 -4.909 1.00 0.00 C ATOM 1168 O ARG A 81 -0.710 15.102 -4.088 1.00 0.00 O ATOM 1169 CB ARG A 81 -3.208 16.831 -3.722 1.00 0.00 C ATOM 1170 CG ARG A 81 -4.711 17.103 -3.839 1.00 0.00 C ATOM 1171 CD ARG A 81 -5.209 17.849 -2.600 1.00 0.00 C ATOM 1172 NE ARG A 81 -4.604 19.174 -2.539 1.00 0.00 N ATOM 1173 CZ ARG A 81 -5.158 20.216 -3.158 1.00 0.00 C ATOM 1174 NH1 ARG A 81 -6.159 20.037 -3.981 1.00 0.00 N ATOM 1175 NH2 ARG A 81 -4.576 21.383 -3.089 1.00 0.00 N ATOM 0 H ARG A 81 -3.293 14.174 -4.133 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.013 16.591 -5.836 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.998 16.276 -2.808 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.662 17.772 -3.656 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.913 17.692 -4.733 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.251 16.163 -3.948 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.295 17.937 -2.631 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.960 17.285 -1.701 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.740 19.306 -2.013 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -6.518 19.097 -4.151 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.581 20.837 -4.453 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.707 21.489 -2.566 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.990 22.188 -3.559 1.00 0.00 H new ATOM 1189 N GLN A 82 -0.516 16.697 -5.665 1.00 0.00 N ATOM 1190 CA GLN A 82 0.933 16.575 -5.745 1.00 0.00 C ATOM 1191 C GLN A 82 1.598 17.698 -4.952 1.00 0.00 C ATOM 1192 O GLN A 82 1.925 18.754 -5.490 1.00 0.00 O ATOM 1193 CB GLN A 82 1.384 16.571 -7.208 1.00 0.00 C ATOM 1194 CG GLN A 82 0.892 15.281 -7.878 1.00 0.00 C ATOM 1195 CD GLN A 82 1.258 15.254 -9.360 1.00 0.00 C ATOM 1196 OE1 GLN A 82 1.936 16.149 -9.854 1.00 0.00 O ATOM 1197 NE2 GLN A 82 0.883 14.244 -10.096 1.00 0.00 N ATOM 0 H GLN A 82 -0.915 17.453 -6.221 1.00 0.00 H new ATOM 0 HA GLN A 82 1.240 15.628 -5.302 1.00 0.00 H new ATOM 0 HB2 GLN A 82 0.984 17.442 -7.728 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.470 16.636 -7.267 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.330 14.418 -7.377 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -0.189 15.200 -7.766 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.319 13.498 -9.689 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.154 14.201 -11.078 1.00 0.00 H new ATOM 1206 N LYS A 83 2.148 17.240 -3.836 1.00 0.00 N ATOM 1207 CA LYS A 83 2.984 18.004 -2.915 1.00 0.00 C ATOM 1208 C LYS A 83 4.173 17.094 -2.617 1.00 0.00 C ATOM 1209 O LYS A 83 4.111 15.924 -3.006 1.00 0.00 O ATOM 1210 CB LYS A 83 2.182 18.288 -1.640 1.00 0.00 C ATOM 1211 CG LYS A 83 1.016 19.227 -1.970 1.00 0.00 C ATOM 1212 CD LYS A 83 0.188 19.487 -0.709 1.00 0.00 C ATOM 1213 CE LYS A 83 -0.983 20.416 -1.039 1.00 0.00 C ATOM 1214 NZ LYS A 83 -1.788 20.636 0.194 1.00 0.00 N ATOM 0 H LYS A 83 2.017 16.275 -3.531 1.00 0.00 H new ATOM 0 HA LYS A 83 3.309 18.962 -3.321 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.805 17.356 -1.219 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.826 18.741 -0.886 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.396 20.168 -2.367 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.388 18.785 -2.744 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -0.185 18.545 -0.308 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.814 19.936 0.062 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.613 21.367 -1.422 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -1.603 19.977 -1.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -2.587 21.267 -0.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.150 19.724 0.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -1.190 21.071 0.926 1.00 0.00 H new ATOM 1228 N ARG A 84 5.261 17.547 -1.987 1.00 0.00 N ATOM 1229 CA ARG A 84 6.192 16.503 -1.562 1.00 0.00 C ATOM 1230 C ARG A 84 5.648 15.968 -0.236 1.00 0.00 C ATOM 1231 O ARG A 84 6.426 15.556 0.627 1.00 0.00 O ATOM 1232 CB ARG A 84 7.515 17.210 -1.242 1.00 0.00 C ATOM 1233 CG ARG A 84 8.147 17.847 -2.482 1.00 0.00 C ATOM 1234 CD ARG A 84 9.403 18.596 -2.028 1.00 0.00 C ATOM 1235 NE ARG A 84 10.022 19.275 -3.158 1.00 0.00 N ATOM 1236 CZ ARG A 84 11.049 20.115 -3.002 1.00 0.00 C ATOM 1237 NH1 ARG A 84 11.384 20.513 -1.799 1.00 0.00 N ATOM 1238 NH2 ARG A 84 11.388 20.877 -4.009 1.00 0.00 N ATOM 0 H ARG A 84 5.503 18.516 -1.778 1.00 0.00 H new ATOM 0 HA ARG A 84 6.315 15.718 -2.308 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.341 17.979 -0.490 1.00 0.00 H new ATOM 0 HB3 ARG A 84 8.212 16.493 -0.809 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.401 17.084 -3.217 1.00 0.00 H new ATOM 0 HG3 ARG A 84 7.446 18.530 -2.961 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.143 19.321 -1.257 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.111 17.897 -1.583 1.00 0.00 H new ATOM 0 HE ARG A 84 9.661 19.104 -4.096 1.00 0.00 H new ATOM 0 HH11 ARG A 84 10.862 20.181 -0.988 1.00 0.00 H new ATOM 0 HH12 ARG A 84 12.167 21.154 -1.674 1.00 0.00 H new ATOM 0 HH21 ARG A 84 10.872 20.821 -4.887 1.00 0.00 H new ATOM 0 HH22 ARG A 84 12.168 21.527 -3.916 1.00 0.00 H new ATOM 1252 N MET A 85 4.402 15.505 -0.326 1.00 0.00 N ATOM 1253 CA MET A 85 3.823 14.392 0.410 1.00 0.00 C ATOM 1254 C MET A 85 2.775 13.787 -0.521 1.00 0.00 C ATOM 1255 O MET A 85 1.896 14.544 -0.935 1.00 0.00 O ATOM 1256 CB MET A 85 3.155 14.982 1.660 1.00 0.00 C ATOM 1257 CG MET A 85 3.318 14.077 2.881 1.00 0.00 C ATOM 1258 SD MET A 85 4.962 14.331 3.598 1.00 0.00 S ATOM 1259 CE MET A 85 4.441 15.101 5.152 1.00 0.00 C ATOM 0 H MET A 85 3.727 15.931 -0.961 1.00 0.00 H new ATOM 0 HA MET A 85 4.548 13.637 0.712 1.00 0.00 H new ATOM 0 HB2 MET A 85 3.587 15.960 1.874 1.00 0.00 H new ATOM 0 HB3 MET A 85 2.094 15.138 1.464 1.00 0.00 H new ATOM 0 HG2 MET A 85 2.548 14.301 3.619 1.00 0.00 H new ATOM 0 HG3 MET A 85 3.191 13.033 2.594 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.319 15.340 5.752 1.00 0.00 H new ATOM 0 HE2 MET A 85 3.888 16.015 4.937 1.00 0.00 H new ATOM 0 HE3 MET A 85 3.802 14.411 5.703 1.00 0.00 H new ATOM 1269 N PRO A 86 2.785 12.509 -0.934 1.00 0.00 N ATOM 1270 CA PRO A 86 1.591 12.010 -1.670 1.00 0.00 C ATOM 1271 C PRO A 86 0.359 12.087 -0.772 1.00 0.00 C ATOM 1272 O PRO A 86 0.321 11.371 0.224 1.00 0.00 O ATOM 1273 CB PRO A 86 1.960 10.568 -2.040 1.00 0.00 C ATOM 1274 CG PRO A 86 3.450 10.484 -1.951 1.00 0.00 C ATOM 1275 CD PRO A 86 3.908 11.557 -0.956 1.00 0.00 C ATOM 0 HA PRO A 86 1.343 12.594 -2.556 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.489 9.859 -1.360 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.615 10.323 -3.045 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.760 9.494 -1.618 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.903 10.648 -2.929 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.095 11.135 0.031 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.833 12.035 -1.279 1.00 0.00 H new ATOM 1283 N HIS A 87 -0.751 12.543 -1.348 1.00 0.00 N ATOM 1284 CA HIS A 87 -2.019 12.589 -0.623 1.00 0.00 C ATOM 1285 C HIS A 87 -3.184 12.377 -1.587 1.00 0.00 C ATOM 1286 O HIS A 87 -3.254 13.030 -2.631 1.00 0.00 O ATOM 1287 CB HIS A 87 -2.169 13.927 0.115 1.00 0.00 C ATOM 1288 CG HIS A 87 -1.116 14.062 1.187 1.00 0.00 C ATOM 1289 ND1 HIS A 87 -0.675 13.167 2.137 1.00 0.00 N flip ATOM 1290 CD2 HIS A 87 -0.740 15.308 1.666 1.00 0.00 C flip ATOM 1291 CE1 HIS A 87 0.012 13.838 3.144 1.00 0.00 C flip ATOM 1292 NE2 HIS A 87 -0.118 15.131 2.846 1.00 0.00 N flip ATOM 0 H HIS A 87 -0.799 12.884 -2.308 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.027 11.788 0.116 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -2.083 14.751 -0.593 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -3.161 13.993 0.562 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -0.916 16.255 1.177 1.00 0.00 H new ATOM 0 HE1 HIS A 87 0.536 13.406 3.984 1.00 0.00 H new ATOM 0 HE2 HIS A 87 0.213 15.892 3.439 1.00 0.00 H new ATOM 1301 N ILE A 88 -4.183 11.621 -1.140 1.00 0.00 N ATOM 1302 CA ILE A 88 -5.441 11.494 -1.871 1.00 0.00 C ATOM 1303 C ILE A 88 -6.630 11.759 -0.951 1.00 0.00 C ATOM 1304 O ILE A 88 -6.570 11.449 0.238 1.00 0.00 O ATOM 1305 CB ILE A 88 -5.545 10.108 -2.517 1.00 0.00 C ATOM 1306 CG1 ILE A 88 -5.525 9.011 -1.446 1.00 0.00 C ATOM 1307 CG2 ILE A 88 -4.361 9.914 -3.471 1.00 0.00 C ATOM 1308 CD1 ILE A 88 -5.813 7.645 -2.077 1.00 0.00 C ATOM 0 H ILE A 88 -4.146 11.086 -0.273 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.458 12.242 -2.663 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.485 10.039 -3.065 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.553 8.993 -0.952 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.268 9.229 -0.679 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -4.426 8.930 -3.936 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.386 10.683 -4.243 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.428 9.991 -2.913 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.795 6.876 -1.304 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.795 7.662 -2.549 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.054 7.423 -2.827 1.00 0.00 H new ATOM 1320 N VAL A 89 -7.683 12.379 -1.482 1.00 0.00 N ATOM 1321 CA VAL A 89 -8.886 12.625 -0.690 1.00 0.00 C ATOM 1322 C VAL A 89 -10.067 11.882 -1.314 1.00 0.00 C ATOM 1323 O VAL A 89 -10.343 12.029 -2.503 1.00 0.00 O ATOM 1324 CB VAL A 89 -9.198 14.129 -0.614 1.00 0.00 C ATOM 1325 CG1 VAL A 89 -7.987 14.892 -0.065 1.00 0.00 C ATOM 1326 CG2 VAL A 89 -9.582 14.683 -1.991 1.00 0.00 C ATOM 0 H VAL A 89 -7.728 12.716 -2.444 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.715 12.261 0.323 1.00 0.00 H new ATOM 0 HB VAL A 89 -10.045 14.265 0.059 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -8.219 15.956 -0.016 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -7.748 14.526 0.934 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.131 14.738 -0.722 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.797 15.748 -1.907 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -8.756 14.533 -2.687 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -10.466 14.162 -2.359 1.00 0.00 H new ATOM 1336 N VAL A 90 -10.798 11.145 -0.481 1.00 0.00 N ATOM 1337 CA VAL A 90 -11.812 10.216 -0.968 1.00 0.00 C ATOM 1338 C VAL A 90 -13.161 10.605 -0.374 1.00 0.00 C ATOM 1339 O VAL A 90 -13.357 10.455 0.828 1.00 0.00 O ATOM 1340 CB VAL A 90 -11.453 8.784 -0.543 1.00 0.00 C ATOM 1341 CG1 VAL A 90 -12.629 7.832 -0.800 1.00 0.00 C ATOM 1342 CG2 VAL A 90 -10.223 8.299 -1.318 1.00 0.00 C ATOM 0 H VAL A 90 -10.706 11.174 0.534 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.860 10.260 -2.056 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.231 8.789 0.524 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -12.354 6.823 -0.492 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.496 8.162 -0.228 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.873 7.834 -1.862 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.976 7.283 -1.010 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -10.438 8.312 -2.387 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.379 8.957 -1.109 1.00 0.00 H new ATOM 1352 N LYS A 91 -14.155 10.694 -1.251 1.00 0.00 N ATOM 1353 CA LYS A 91 -15.508 11.030 -0.830 1.00 0.00 C ATOM 1354 C LYS A 91 -16.470 10.034 -1.451 1.00 0.00 C ATOM 1355 O LYS A 91 -16.392 9.772 -2.646 1.00 0.00 O ATOM 1356 CB LYS A 91 -15.942 12.457 -1.212 1.00 0.00 C ATOM 1357 CG LYS A 91 -15.430 12.937 -2.582 1.00 0.00 C ATOM 1358 CD LYS A 91 -13.909 13.143 -2.612 1.00 0.00 C ATOM 1359 CE LYS A 91 -13.477 13.651 -3.992 1.00 0.00 C ATOM 1360 NZ LYS A 91 -12.001 13.844 -3.997 1.00 0.00 N ATOM 0 H LYS A 91 -14.049 10.539 -2.254 1.00 0.00 H new ATOM 0 HA LYS A 91 -15.523 10.984 0.259 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -17.031 12.505 -1.209 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -15.590 13.147 -0.445 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -15.708 12.209 -3.344 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -15.924 13.874 -2.841 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -13.615 13.858 -1.844 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -13.402 12.205 -2.385 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -13.766 12.937 -4.763 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -13.980 14.590 -4.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.645 13.770 -4.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.773 14.784 -3.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.553 13.113 -3.408 1.00 0.00 H new ATOM 1374 N CYS A 92 -17.441 9.589 -0.657 1.00 0.00 N ATOM 1375 CA CYS A 92 -18.424 8.638 -1.153 1.00 0.00 C ATOM 1376 C CYS A 92 -19.776 9.320 -1.311 1.00 0.00 C ATOM 1377 O CYS A 92 -20.339 9.785 -0.327 1.00 0.00 O ATOM 1378 CB CYS A 92 -18.562 7.438 -0.215 1.00 0.00 C ATOM 1379 SG CYS A 92 -17.907 7.798 1.433 1.00 0.00 S ATOM 0 H CYS A 92 -17.565 9.868 0.316 1.00 0.00 H new ATOM 0 HA CYS A 92 -18.079 8.277 -2.122 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -19.612 7.157 -0.136 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -18.034 6.583 -0.638 1.00 0.00 H new ATOM 1384 N LEU A 93 -20.420 9.012 -2.431 1.00 0.00 N ATOM 1385 CA LEU A 93 -21.755 9.514 -2.725 1.00 0.00 C ATOM 1386 C LEU A 93 -22.752 8.995 -1.693 1.00 0.00 C ATOM 1387 O LEU A 93 -23.799 9.608 -1.489 1.00 0.00 O ATOM 1388 CB LEU A 93 -22.144 9.106 -4.153 1.00 0.00 C ATOM 1389 CG LEU A 93 -21.273 9.889 -5.146 1.00 0.00 C ATOM 1390 CD1 LEU A 93 -21.427 9.317 -6.559 1.00 0.00 C ATOM 1391 CD2 LEU A 93 -21.676 11.368 -5.154 1.00 0.00 C ATOM 0 H LEU A 93 -20.033 8.410 -3.157 1.00 0.00 H new ATOM 0 HA LEU A 93 -21.766 10.602 -2.666 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -22.003 8.034 -4.291 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -23.199 9.314 -4.331 1.00 0.00 H new ATOM 0 HG LEU A 93 -20.233 9.798 -4.832 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -20.803 9.883 -7.251 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -21.118 8.272 -6.564 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -22.470 9.389 -6.869 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -21.051 11.912 -5.862 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -22.721 11.459 -5.449 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -21.543 11.787 -4.157 1.00 0.00 H new ATOM 1403 N GLU A 94 -22.590 7.718 -1.349 1.00 0.00 N ATOM 1404 CA GLU A 94 -23.551 7.023 -0.497 1.00 0.00 C ATOM 1405 C GLU A 94 -23.567 7.619 0.912 1.00 0.00 C ATOM 1406 O GLU A 94 -24.608 8.084 1.374 1.00 0.00 O ATOM 1407 CB GLU A 94 -23.088 5.572 -0.348 1.00 0.00 C ATOM 1408 CG GLU A 94 -23.157 4.840 -1.692 1.00 0.00 C ATOM 1409 CD GLU A 94 -22.612 3.421 -1.534 1.00 0.00 C ATOM 1410 OE1 GLU A 94 -22.870 2.872 -0.480 1.00 0.00 O ATOM 1411 OE2 GLU A 94 -22.443 2.768 -2.550 1.00 0.00 O ATOM 0 H GLU A 94 -21.801 7.144 -1.648 1.00 0.00 H new ATOM 0 HA GLU A 94 -24.539 7.109 -0.949 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -22.067 5.548 0.032 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -23.713 5.059 0.383 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -24.187 4.807 -2.047 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -22.579 5.381 -2.442 1.00 0.00 H new ATOM 1418 N CYS A 95 -22.371 7.846 1.457 1.00 0.00 N ATOM 1419 CA CYS A 95 -22.219 8.557 2.723 1.00 0.00 C ATOM 1420 C CYS A 95 -22.392 10.064 2.563 1.00 0.00 C ATOM 1421 O CYS A 95 -23.032 10.701 3.395 1.00 0.00 O ATOM 1422 CB CYS A 95 -20.863 8.229 3.371 1.00 0.00 C ATOM 1423 SG CYS A 95 -20.682 6.435 3.598 1.00 0.00 S ATOM 0 H CYS A 95 -21.491 7.545 1.038 1.00 0.00 H new ATOM 0 HA CYS A 95 -23.015 8.212 3.383 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -20.054 8.606 2.745 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -20.782 8.733 4.334 1.00 0.00 H new ATOM 1428 N GLY A 96 -21.956 10.595 1.425 1.00 0.00 N ATOM 1429 CA GLY A 96 -21.958 12.038 1.194 1.00 0.00 C ATOM 1430 C GLY A 96 -20.784 12.721 1.895 1.00 0.00 C ATOM 1431 O GLY A 96 -20.780 13.940 2.057 1.00 0.00 O ATOM 0 H GLY A 96 -21.595 10.046 0.645 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -21.908 12.236 0.123 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -22.895 12.463 1.554 1.00 0.00 H new ATOM 1435 N HIS A 97 -19.828 11.916 2.355 1.00 0.00 N ATOM 1436 CA HIS A 97 -18.770 12.371 3.258 1.00 0.00 C ATOM 1437 C HIS A 97 -17.383 12.110 2.681 1.00 0.00 C ATOM 1438 O HIS A 97 -17.218 11.257 1.809 1.00 0.00 O ATOM 1439 CB HIS A 97 -18.890 11.738 4.647 1.00 0.00 C ATOM 1440 CG HIS A 97 -20.069 12.319 5.377 1.00 0.00 C ATOM 1441 ND1 HIS A 97 -21.369 11.900 5.154 1.00 0.00 N ATOM 1442 CD2 HIS A 97 -20.136 13.190 6.438 1.00 0.00 C ATOM 1443 CE1 HIS A 97 -22.132 12.407 6.137 1.00 0.00 C ATOM 1444 NE2 HIS A 97 -21.452 13.276 6.893 1.00 0.00 N ATOM 0 H HIS A 97 -19.764 10.927 2.112 1.00 0.00 H new ATOM 0 HA HIS A 97 -18.900 13.448 3.364 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -19.005 10.658 4.555 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -17.977 11.914 5.216 1.00 0.00 H new ATOM 0 HD1 HIS A 97 -21.690 11.313 4.384 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -19.297 13.727 6.856 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -23.167 12.145 6.297 1.00 0.00 H new ATOM 1453 N ILE A 98 -16.452 12.989 3.049 1.00 0.00 N ATOM 1454 CA ILE A 98 -15.110 13.029 2.475 1.00 0.00 C ATOM 1455 C ILE A 98 -14.061 12.630 3.512 1.00 0.00 C ATOM 1456 O ILE A 98 -14.198 12.938 4.696 1.00 0.00 O ATOM 1457 CB ILE A 98 -14.828 14.446 1.949 1.00 0.00 C ATOM 1458 CG1 ILE A 98 -13.344 14.638 1.589 1.00 0.00 C ATOM 1459 CG2 ILE A 98 -15.236 15.487 2.999 1.00 0.00 C ATOM 1460 CD1 ILE A 98 -12.841 13.547 0.642 1.00 0.00 C ATOM 0 H ILE A 98 -16.611 13.701 3.762 1.00 0.00 H new ATOM 0 HA ILE A 98 -15.055 12.316 1.653 1.00 0.00 H new ATOM 0 HB ILE A 98 -15.417 14.581 1.042 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -13.207 15.614 1.124 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -12.746 14.632 2.500 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -15.033 16.488 2.618 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -16.300 15.390 3.213 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -14.665 15.324 3.913 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -11.789 13.720 0.413 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -12.953 12.573 1.117 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -13.421 13.570 -0.280 1.00 0.00 H new ATOM 1472 N MET A 99 -13.206 11.698 3.101 1.00 0.00 N ATOM 1473 CA MET A 99 -12.161 11.151 3.961 1.00 0.00 C ATOM 1474 C MET A 99 -10.792 11.355 3.316 1.00 0.00 C ATOM 1475 O MET A 99 -10.644 11.179 2.109 1.00 0.00 O ATOM 1476 CB MET A 99 -12.386 9.650 4.180 1.00 0.00 C ATOM 1477 CG MET A 99 -13.673 9.428 4.981 1.00 0.00 C ATOM 1478 SD MET A 99 -13.892 7.661 5.313 1.00 0.00 S ATOM 1479 CE MET A 99 -14.339 7.134 3.639 1.00 0.00 C ATOM 0 H MET A 99 -13.218 11.300 2.162 1.00 0.00 H new ATOM 0 HA MET A 99 -12.198 11.670 4.919 1.00 0.00 H new ATOM 0 HB2 MET A 99 -12.452 9.139 3.219 1.00 0.00 H new ATOM 0 HB3 MET A 99 -11.537 9.220 4.712 1.00 0.00 H new ATOM 0 HG2 MET A 99 -13.628 9.981 5.919 1.00 0.00 H new ATOM 0 HG3 MET A 99 -14.529 9.812 4.426 1.00 0.00 H new ATOM 0 HE1 MET A 99 -14.621 6.081 3.652 1.00 0.00 H new ATOM 0 HE2 MET A 99 -15.179 7.730 3.282 1.00 0.00 H new ATOM 0 HE3 MET A 99 -13.487 7.273 2.974 1.00 0.00 H new ATOM 1489 N ARG A 100 -9.768 11.532 4.149 1.00 0.00 N ATOM 1490 CA ARG A 100 -8.407 11.751 3.664 1.00 0.00 C ATOM 1491 C ARG A 100 -7.590 10.467 3.778 1.00 0.00 C ATOM 1492 O ARG A 100 -7.532 9.864 4.851 1.00 0.00 O ATOM 1493 CB ARG A 100 -7.755 12.860 4.496 1.00 0.00 C ATOM 1494 CG ARG A 100 -8.463 14.187 4.199 1.00 0.00 C ATOM 1495 CD ARG A 100 -7.871 15.297 5.068 1.00 0.00 C ATOM 1496 NE ARG A 100 -8.550 16.556 4.789 1.00 0.00 N ATOM 1497 CZ ARG A 100 -8.301 17.663 5.493 1.00 0.00 C ATOM 1498 NH1 ARG A 100 -7.459 17.644 6.499 1.00 0.00 N ATOM 1499 NH2 ARG A 100 -8.953 18.761 5.213 1.00 0.00 N ATOM 0 H ARG A 100 -9.856 11.528 5.165 1.00 0.00 H new ATOM 0 HA ARG A 100 -8.440 12.046 2.615 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -7.825 12.625 5.558 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.695 12.937 4.256 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -8.353 14.440 3.145 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -9.531 14.091 4.394 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -7.977 15.042 6.122 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -6.804 15.397 4.870 1.00 0.00 H new ATOM 0 HE ARG A 100 -9.235 16.593 4.034 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -6.986 16.777 6.752 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -7.278 18.497 7.029 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -9.644 18.766 4.463 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -8.770 19.612 5.745 1.00 0.00 H new ATOM 1513 N TYR A 101 -6.822 10.168 2.731 1.00 0.00 N ATOM 1514 CA TYR A 101 -5.943 9.002 2.729 1.00 0.00 C ATOM 1515 C TYR A 101 -4.515 9.428 2.386 1.00 0.00 C ATOM 1516 O TYR A 101 -4.256 9.849 1.262 1.00 0.00 O ATOM 1517 CB TYR A 101 -6.444 7.977 1.704 1.00 0.00 C ATOM 1518 CG TYR A 101 -6.967 6.748 2.411 1.00 0.00 C ATOM 1519 CD1 TYR A 101 -6.066 5.859 3.010 1.00 0.00 C ATOM 1520 CD2 TYR A 101 -8.324 6.406 2.322 1.00 0.00 C ATOM 1521 CE1 TYR A 101 -6.538 4.707 3.644 1.00 0.00 C ATOM 1522 CE2 TYR A 101 -8.796 5.248 2.946 1.00 0.00 C ATOM 1523 CZ TYR A 101 -7.906 4.409 3.628 1.00 0.00 C ATOM 1524 OH TYR A 101 -8.361 3.240 4.206 1.00 0.00 O ATOM 0 H TYR A 101 -6.792 10.719 1.873 1.00 0.00 H new ATOM 0 HA TYR A 101 -5.949 8.548 3.720 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -7.232 8.417 1.093 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -5.634 7.701 1.029 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -5.006 6.064 2.982 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -9.005 7.038 1.771 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -5.847 4.046 4.147 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -9.846 5.000 2.902 1.00 0.00 H new ATOM 0 HH TYR A 101 -9.335 3.185 4.110 1.00 0.00 H new ATOM 1534 N PRO A 102 -3.650 9.585 3.403 1.00 0.00 N ATOM 1535 CA PRO A 102 -2.207 9.890 3.175 1.00 0.00 C ATOM 1536 C PRO A 102 -1.434 8.720 2.569 1.00 0.00 C ATOM 1537 O PRO A 102 -1.723 7.564 2.870 1.00 0.00 O ATOM 1538 CB PRO A 102 -1.706 10.215 4.582 1.00 0.00 C ATOM 1539 CG PRO A 102 -2.546 9.383 5.492 1.00 0.00 C ATOM 1540 CD PRO A 102 -3.914 9.257 4.818 1.00 0.00 C ATOM 0 HA PRO A 102 -2.065 10.696 2.455 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -0.649 9.974 4.690 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -1.815 11.276 4.805 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -2.097 8.402 5.647 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -2.637 9.850 6.473 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.320 8.251 4.925 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.639 9.942 5.257 1.00 0.00 H new ATOM 1548 N TYR A 103 -0.424 9.032 1.757 1.00 0.00 N ATOM 1549 CA TYR A 103 0.430 8.002 1.168 1.00 0.00 C ATOM 1550 C TYR A 103 1.857 8.524 0.995 1.00 0.00 C ATOM 1551 O TYR A 103 2.088 9.721 1.137 1.00 0.00 O ATOM 1552 CB TYR A 103 -0.159 7.564 -0.177 1.00 0.00 C ATOM 1553 CG TYR A 103 0.615 6.388 -0.730 1.00 0.00 C ATOM 1554 CD1 TYR A 103 0.342 5.093 -0.263 1.00 0.00 C ATOM 1555 CD2 TYR A 103 1.586 6.581 -1.721 1.00 0.00 C ATOM 1556 CE1 TYR A 103 0.919 3.990 -0.902 1.00 0.00 C ATOM 1557 CE2 TYR A 103 2.324 5.486 -2.188 1.00 0.00 C ATOM 1558 CZ TYR A 103 1.954 4.186 -1.824 1.00 0.00 C ATOM 1559 OH TYR A 103 2.740 3.119 -2.211 1.00 0.00 O ATOM 0 H TYR A 103 -0.178 9.986 1.493 1.00 0.00 H new ATOM 0 HA TYR A 103 0.470 7.140 1.835 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -1.207 7.292 -0.052 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -0.127 8.394 -0.883 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -0.310 4.948 0.586 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.764 7.568 -2.122 1.00 0.00 H new ATOM 0 HE1 TYR A 103 0.568 2.992 -0.685 1.00 0.00 H new ATOM 0 HE2 TYR A 103 3.179 5.645 -2.829 1.00 0.00 H new ATOM 0 HH TYR A 103 3.411 3.424 -2.856 1.00 0.00 H new ATOM 1569 N ILE A 104 2.826 7.607 0.978 1.00 0.00 N ATOM 1570 CA ILE A 104 4.231 7.986 0.848 1.00 0.00 C ATOM 1571 C ILE A 104 4.898 7.202 -0.283 1.00 0.00 C ATOM 1572 O ILE A 104 4.592 6.030 -0.490 1.00 0.00 O ATOM 1573 CB ILE A 104 4.969 7.743 2.172 1.00 0.00 C ATOM 1574 CG1 ILE A 104 6.397 8.296 2.097 1.00 0.00 C ATOM 1575 CG2 ILE A 104 5.026 6.246 2.485 1.00 0.00 C ATOM 1576 CD1 ILE A 104 6.376 9.822 1.972 1.00 0.00 C ATOM 0 H ILE A 104 2.664 6.603 1.052 1.00 0.00 H new ATOM 0 HA ILE A 104 4.282 9.048 0.606 1.00 0.00 H new ATOM 0 HB ILE A 104 4.423 8.257 2.963 1.00 0.00 H new ATOM 0 HG12 ILE A 104 6.953 8.006 2.989 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.917 7.862 1.243 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.552 6.091 3.427 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.013 5.853 2.567 1.00 0.00 H new ATOM 0 HG23 ILE A 104 5.553 5.727 1.685 1.00 0.00 H new ATOM 0 HD11 ILE A 104 7.398 10.197 1.920 1.00 0.00 H new ATOM 0 HD12 ILE A 104 5.839 10.106 1.067 1.00 0.00 H new ATOM 0 HD13 ILE A 104 5.876 10.251 2.840 1.00 0.00 H new ATOM 1588 N LYS A 105 5.636 7.921 -1.128 1.00 0.00 N ATOM 1589 CA LYS A 105 6.276 7.328 -2.304 1.00 0.00 C ATOM 1590 C LYS A 105 6.944 5.994 -1.966 1.00 0.00 C ATOM 1591 O LYS A 105 6.898 5.106 -2.801 1.00 0.00 O ATOM 1592 CB LYS A 105 7.336 8.281 -2.866 1.00 0.00 C ATOM 1593 CG LYS A 105 6.687 9.540 -3.450 1.00 0.00 C ATOM 1594 CD LYS A 105 7.795 10.454 -3.984 1.00 0.00 C ATOM 1595 CE LYS A 105 7.195 11.727 -4.587 1.00 0.00 C ATOM 1596 NZ LYS A 105 8.299 12.595 -5.085 1.00 0.00 N ATOM 0 H LYS A 105 5.807 8.921 -1.020 1.00 0.00 H new ATOM 0 HA LYS A 105 5.496 7.153 -3.045 1.00 0.00 H new ATOM 0 HB2 LYS A 105 8.034 8.560 -2.077 1.00 0.00 H new ATOM 0 HB3 LYS A 105 7.914 7.773 -3.638 1.00 0.00 H new ATOM 0 HG2 LYS A 105 5.997 9.274 -4.250 1.00 0.00 H new ATOM 0 HG3 LYS A 105 6.106 10.056 -2.686 1.00 0.00 H new ATOM 0 HD2 LYS A 105 8.480 10.714 -3.177 1.00 0.00 H new ATOM 0 HD3 LYS A 105 8.378 9.926 -4.739 1.00 0.00 H new ATOM 0 HE2 LYS A 105 6.518 11.474 -5.403 1.00 0.00 H new ATOM 0 HE3 LYS A 105 6.608 12.258 -3.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 7.900 13.463 -5.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 8.928 12.844 -4.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 8.841 12.085 -5.811 1.00 0.00 H new TER 1610 LYS A 105 HETATM 1611 ZN ZN A 124 -18.774 5.916 2.410 1.00 0.00 ZN