USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 748 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 TYR OH : rot -131:sc= 0.946 USER MOD Set 1.2: A 102 HIS : no HE2:sc= -0.329 K(o=1.5,f=2.4) USER MOD Set 1.3: A 105 SER OG : rot -88:sc= 0.845 USER MOD Set 2.1: A 89 HIS : no HD1:sc= 1.08 K(o=2.4,f=-5!) USER MOD Set 2.2: A 119 THR OG1 : rot 82:sc= 1.31 USER MOD Set 3.1: A 64 MET CE :methyl -170:sc= -0.365 (180deg=-0.462) USER MOD Set 3.2: A 67 GLN : amide:sc= 1.09 K(o=0.72,f=-0.6) USER MOD Set 4.1: A 28 HIS : no HD1:sc= 1.08 K(o=2.4,f=-5!) USER MOD Set 4.2: A 40 SER OG : rot -97:sc= 1.33 USER MOD Single : A 21 LYS NZ :NH3+ -157:sc= 1.22 (180deg=1.03) USER MOD Single : A 29 SER OG : rot -170:sc=-0.000389 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 140:sc= 2.97 (180deg=0.748) USER MOD Single : A 47 TYR OH : rot 175:sc= 1.27 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HE2:sc= -1.22 K(o=-1.2,f=-4!) USER MOD Single : A 57 TYR OH : rot 5:sc= 0.00016 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 90:sc= 1.1 USER MOD Single : A 65 GLN : amide:sc= 0.704 K(o=0.7,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 147:sc= 1.22 (180deg=1.05) USER MOD Single : A 69 CYS SG : rot 170:sc= -0.0531 USER MOD Single : A 71 CYS SG : rot 100:sc= -1.13 USER MOD Single : A 73 CYS SG : rot 148:sc= 2.38 USER MOD Single : A 80 SER OG : rot 112:sc= 0.0267 USER MOD Single : A 91 TYR OH : rot 180:sc= 0.278 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot -52:sc= 1.43 USER MOD Single : A 95 MET CE :methyl -173:sc= 0 (180deg=-0.0648) USER MOD Single : A 97 TYR OH : rot 80:sc= -0.0169 USER MOD Single : A 101 GLN : amide:sc= -0.225 X(o=-0.22,f=-0.22) USER MOD Single : A 106 THR OG1 : rot 21:sc= 0.0951 USER MOD Single : A 108 LYS NZ :NH3+ -115:sc= 1.15 (180deg=-0.31) USER MOD Single : A 110 LYS NZ :NH3+ 156:sc= 1.28 (180deg=0.663) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 56 N ASP A 5 8.201 11.279 4.099 1.00 0.00 N ATOM 57 CA ASP A 5 7.013 10.933 3.324 1.00 0.00 C ATOM 58 C ASP A 5 7.425 10.896 1.855 1.00 0.00 C ATOM 59 O ASP A 5 8.394 11.561 1.481 1.00 0.00 O ATOM 60 CB ASP A 5 5.914 11.981 3.546 1.00 0.00 C ATOM 61 CG ASP A 5 4.689 11.682 2.669 1.00 0.00 C ATOM 62 OD1 ASP A 5 3.878 10.810 3.047 1.00 0.00 O ATOM 63 OD2 ASP A 5 4.566 12.292 1.585 1.00 0.00 O ATOM 0 HA ASP A 5 6.616 9.966 3.634 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.621 11.991 4.596 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.300 12.974 3.313 1.00 0.00 H new ATOM 68 N LEU A 6 6.707 10.149 1.013 1.00 0.00 N ATOM 69 CA LEU A 6 7.013 10.013 -0.407 1.00 0.00 C ATOM 70 C LEU A 6 7.120 11.364 -1.117 1.00 0.00 C ATOM 71 O LEU A 6 7.944 11.497 -2.022 1.00 0.00 O ATOM 72 CB LEU A 6 5.938 9.164 -1.104 1.00 0.00 C ATOM 73 CG LEU A 6 5.871 7.679 -0.705 1.00 0.00 C ATOM 74 CD1 LEU A 6 4.754 7.004 -1.504 1.00 0.00 C ATOM 75 CD2 LEU A 6 7.189 6.933 -0.943 1.00 0.00 C ATOM 0 H LEU A 6 5.888 9.616 1.305 1.00 0.00 H new ATOM 0 HA LEU A 6 7.984 9.522 -0.472 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.966 9.615 -0.906 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.103 9.221 -2.180 1.00 0.00 H new ATOM 0 HG LEU A 6 5.673 7.637 0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.696 5.951 -1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.804 7.489 -1.282 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.965 7.091 -2.570 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.077 5.891 -0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.447 6.979 -2.001 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.981 7.397 -0.355 1.00 0.00 H new ATOM 87 N ALA A 7 6.336 12.372 -0.722 1.00 0.00 N ATOM 88 CA ALA A 7 6.398 13.698 -1.321 1.00 0.00 C ATOM 89 C ALA A 7 7.731 14.406 -1.033 1.00 0.00 C ATOM 90 O ALA A 7 8.124 15.295 -1.789 1.00 0.00 O ATOM 91 CB ALA A 7 5.230 14.552 -0.811 1.00 0.00 C ATOM 0 H ALA A 7 5.643 12.286 0.022 1.00 0.00 H new ATOM 0 HA ALA A 7 6.324 13.574 -2.401 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.280 15.543 -1.262 1.00 0.00 H new ATOM 0 HB2 ALA A 7 4.287 14.078 -1.082 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.292 14.643 0.273 1.00 0.00 H new ATOM 97 N LEU A 8 8.418 14.032 0.052 1.00 0.00 N ATOM 98 CA LEU A 8 9.670 14.651 0.482 1.00 0.00 C ATOM 99 C LEU A 8 10.880 13.953 -0.142 1.00 0.00 C ATOM 100 O LEU A 8 11.954 14.552 -0.190 1.00 0.00 O ATOM 101 CB LEU A 8 9.789 14.616 2.019 1.00 0.00 C ATOM 102 CG LEU A 8 8.653 15.328 2.783 1.00 0.00 C ATOM 103 CD1 LEU A 8 8.869 15.174 4.292 1.00 0.00 C ATOM 104 CD2 LEU A 8 8.555 16.818 2.434 1.00 0.00 C ATOM 0 H LEU A 8 8.111 13.277 0.665 1.00 0.00 H new ATOM 0 HA LEU A 8 9.657 15.687 0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.825 13.575 2.341 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.738 15.071 2.304 1.00 0.00 H new ATOM 0 HG LEU A 8 7.718 14.857 2.481 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.065 15.678 4.828 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.871 14.116 4.553 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.825 15.618 4.570 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.740 17.271 2.999 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.492 17.314 2.688 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.363 16.930 1.367 1.00 0.00 H new ATOM 116 N ILE A 9 10.733 12.708 -0.613 1.00 0.00 N ATOM 117 CA ILE A 9 11.809 11.974 -1.276 1.00 0.00 C ATOM 118 C ILE A 9 12.203 12.757 -2.543 1.00 0.00 C ATOM 119 O ILE A 9 11.302 13.013 -3.353 1.00 0.00 O ATOM 120 CB ILE A 9 11.354 10.532 -1.603 1.00 0.00 C ATOM 121 CG1 ILE A 9 11.038 9.789 -0.289 1.00 0.00 C ATOM 122 CG2 ILE A 9 12.427 9.782 -2.409 1.00 0.00 C ATOM 123 CD1 ILE A 9 10.612 8.334 -0.465 1.00 0.00 C ATOM 0 H ILE A 9 9.861 12.184 -0.543 1.00 0.00 H new ATOM 0 HA ILE A 9 12.679 11.886 -0.625 1.00 0.00 H new ATOM 0 HB ILE A 9 10.455 10.575 -2.218 1.00 0.00 H new ATOM 0 HG12 ILE A 9 11.920 9.820 0.351 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.246 10.325 0.234 1.00 0.00 H new ATOM 0 HG21 ILE A 9 12.080 8.771 -2.625 1.00 0.00 H new ATOM 0 HG22 ILE A 9 12.614 10.309 -3.345 1.00 0.00 H new ATOM 0 HG23 ILE A 9 13.349 9.733 -1.830 1.00 0.00 H new ATOM 0 HD11 ILE A 9 10.411 7.893 0.511 1.00 0.00 H new ATOM 0 HD12 ILE A 9 9.710 8.290 -1.076 1.00 0.00 H new ATOM 0 HD13 ILE A 9 11.410 7.778 -0.956 1.00 0.00 H new ATOM 135 N PRO A 10 13.495 13.106 -2.750 1.00 0.00 N ATOM 136 CA PRO A 10 13.989 13.748 -3.967 1.00 0.00 C ATOM 137 C PRO A 10 13.484 13.006 -5.204 1.00 0.00 C ATOM 138 O PRO A 10 13.848 11.851 -5.449 1.00 0.00 O ATOM 139 CB PRO A 10 15.517 13.786 -3.856 1.00 0.00 C ATOM 140 CG PRO A 10 15.752 13.762 -2.347 1.00 0.00 C ATOM 141 CD PRO A 10 14.600 12.906 -1.822 1.00 0.00 C ATOM 0 HA PRO A 10 13.617 14.767 -4.075 1.00 0.00 H new ATOM 0 HB2 PRO A 10 15.979 12.931 -4.350 1.00 0.00 H new ATOM 0 HB3 PRO A 10 15.933 14.683 -4.315 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.721 13.328 -2.098 1.00 0.00 H new ATOM 0 HG3 PRO A 10 15.733 14.765 -1.922 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.885 11.855 -1.775 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.320 13.206 -0.812 1.00 0.00 H new ATOM 149 N ASP A 11 12.606 13.666 -5.955 1.00 0.00 N ATOM 150 CA ASP A 11 11.839 13.042 -7.024 1.00 0.00 C ATOM 151 C ASP A 11 12.677 12.685 -8.252 1.00 0.00 C ATOM 152 O ASP A 11 12.473 11.639 -8.868 1.00 0.00 O ATOM 153 CB ASP A 11 10.683 13.974 -7.391 1.00 0.00 C ATOM 154 CG ASP A 11 9.526 13.178 -7.981 1.00 0.00 C ATOM 155 OD1 ASP A 11 8.761 12.575 -7.193 1.00 0.00 O ATOM 156 OD2 ASP A 11 9.352 13.157 -9.214 1.00 0.00 O ATOM 0 H ASP A 11 12.407 14.659 -5.835 1.00 0.00 H new ATOM 0 HA ASP A 11 11.461 12.088 -6.657 1.00 0.00 H new ATOM 0 HB2 ASP A 11 10.347 14.514 -6.505 1.00 0.00 H new ATOM 0 HB3 ASP A 11 11.023 14.720 -8.109 1.00 0.00 H new ATOM 161 N VAL A 12 13.663 13.519 -8.584 1.00 0.00 N ATOM 162 CA VAL A 12 14.530 13.354 -9.742 1.00 0.00 C ATOM 163 C VAL A 12 15.910 13.867 -9.338 1.00 0.00 C ATOM 164 O VAL A 12 16.015 14.916 -8.699 1.00 0.00 O ATOM 165 CB VAL A 12 13.979 14.160 -10.944 1.00 0.00 C ATOM 166 CG1 VAL A 12 14.876 14.032 -12.185 1.00 0.00 C ATOM 167 CG2 VAL A 12 12.557 13.747 -11.352 1.00 0.00 C ATOM 0 H VAL A 12 13.884 14.351 -8.036 1.00 0.00 H new ATOM 0 HA VAL A 12 14.581 12.309 -10.048 1.00 0.00 H new ATOM 0 HB VAL A 12 13.963 15.192 -10.593 1.00 0.00 H new ATOM 0 HG11 VAL A 12 14.451 14.613 -13.003 1.00 0.00 H new ATOM 0 HG12 VAL A 12 15.873 14.407 -11.954 1.00 0.00 H new ATOM 0 HG13 VAL A 12 14.942 12.985 -12.480 1.00 0.00 H new ATOM 0 HG21 VAL A 12 12.232 14.351 -12.199 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.550 12.694 -11.633 1.00 0.00 H new ATOM 0 HG23 VAL A 12 11.878 13.903 -10.514 1.00 0.00 H new ATOM 177 N ASP A 13 16.963 13.145 -9.724 1.00 0.00 N ATOM 178 CA ASP A 13 18.343 13.606 -9.614 1.00 0.00 C ATOM 179 C ASP A 13 19.164 12.835 -10.642 1.00 0.00 C ATOM 180 O ASP A 13 19.235 11.608 -10.574 1.00 0.00 O ATOM 181 CB ASP A 13 18.899 13.392 -8.200 1.00 0.00 C ATOM 182 CG ASP A 13 20.369 13.828 -8.117 1.00 0.00 C ATOM 183 OD1 ASP A 13 20.696 14.962 -8.537 1.00 0.00 O ATOM 184 OD2 ASP A 13 21.196 13.048 -7.599 1.00 0.00 O ATOM 0 H ASP A 13 16.878 12.212 -10.127 1.00 0.00 H new ATOM 0 HA ASP A 13 18.393 14.678 -9.806 1.00 0.00 H new ATOM 0 HB2 ASP A 13 18.306 13.959 -7.482 1.00 0.00 H new ATOM 0 HB3 ASP A 13 18.811 12.341 -7.926 1.00 0.00 H new ATOM 189 N ILE A 14 19.727 13.537 -11.624 1.00 0.00 N ATOM 190 CA ILE A 14 20.446 12.949 -12.751 1.00 0.00 C ATOM 191 C ILE A 14 21.727 13.751 -13.013 1.00 0.00 C ATOM 192 O ILE A 14 21.850 14.906 -12.591 1.00 0.00 O ATOM 193 CB ILE A 14 19.530 12.805 -14.001 1.00 0.00 C ATOM 194 CG1 ILE A 14 18.628 14.008 -14.371 1.00 0.00 C ATOM 195 CG2 ILE A 14 18.605 11.584 -13.838 1.00 0.00 C ATOM 196 CD1 ILE A 14 19.370 15.282 -14.782 1.00 0.00 C ATOM 0 H ILE A 14 19.694 14.556 -11.658 1.00 0.00 H new ATOM 0 HA ILE A 14 20.746 11.931 -12.504 1.00 0.00 H new ATOM 0 HB ILE A 14 20.251 12.712 -14.813 1.00 0.00 H new ATOM 0 HG12 ILE A 14 17.971 13.710 -15.189 1.00 0.00 H new ATOM 0 HG13 ILE A 14 17.990 14.238 -13.518 1.00 0.00 H new ATOM 0 HG21 ILE A 14 17.967 11.491 -14.717 1.00 0.00 H new ATOM 0 HG22 ILE A 14 19.208 10.683 -13.730 1.00 0.00 H new ATOM 0 HG23 ILE A 14 17.984 11.714 -12.952 1.00 0.00 H new ATOM 0 HD11 ILE A 14 18.648 16.063 -15.021 1.00 0.00 H new ATOM 0 HD12 ILE A 14 20.005 15.614 -13.961 1.00 0.00 H new ATOM 0 HD13 ILE A 14 19.986 15.078 -15.658 1.00 0.00 H new ATOM 266 N PHE A 20 24.453 8.632 -20.254 1.00 0.00 N ATOM 267 CA PHE A 20 24.569 7.728 -19.112 1.00 0.00 C ATOM 268 C PHE A 20 23.277 6.933 -18.938 1.00 0.00 C ATOM 269 O PHE A 20 22.212 7.336 -19.404 1.00 0.00 O ATOM 270 CB PHE A 20 24.881 8.517 -17.829 1.00 0.00 C ATOM 271 CG PHE A 20 23.965 9.701 -17.561 1.00 0.00 C ATOM 272 CD1 PHE A 20 22.744 9.522 -16.883 1.00 0.00 C ATOM 273 CD2 PHE A 20 24.320 10.987 -18.017 1.00 0.00 C ATOM 274 CE1 PHE A 20 21.890 10.614 -16.655 1.00 0.00 C ATOM 275 CE2 PHE A 20 23.458 12.075 -17.802 1.00 0.00 C ATOM 276 CZ PHE A 20 22.249 11.894 -17.112 1.00 0.00 C ATOM 0 HA PHE A 20 25.389 7.035 -19.301 1.00 0.00 H new ATOM 0 HB2 PHE A 20 24.827 7.836 -16.980 1.00 0.00 H new ATOM 0 HB3 PHE A 20 25.908 8.877 -17.883 1.00 0.00 H new ATOM 0 HD1 PHE A 20 22.462 8.539 -16.536 1.00 0.00 H new ATOM 0 HD2 PHE A 20 25.257 11.136 -18.533 1.00 0.00 H new ATOM 0 HE1 PHE A 20 20.958 10.470 -16.129 1.00 0.00 H new ATOM 0 HE2 PHE A 20 23.726 13.055 -18.169 1.00 0.00 H new ATOM 0 HZ PHE A 20 21.597 12.736 -16.933 1.00 0.00 H new ATOM 286 N LYS A 21 23.366 5.786 -18.265 1.00 0.00 N ATOM 287 CA LYS A 21 22.214 4.929 -18.004 1.00 0.00 C ATOM 288 C LYS A 21 21.420 5.479 -16.826 1.00 0.00 C ATOM 289 O LYS A 21 21.968 6.173 -15.965 1.00 0.00 O ATOM 290 CB LYS A 21 22.681 3.493 -17.729 1.00 0.00 C ATOM 291 CG LYS A 21 23.267 2.837 -18.989 1.00 0.00 C ATOM 292 CD LYS A 21 23.887 1.478 -18.654 1.00 0.00 C ATOM 293 CE LYS A 21 24.520 0.856 -19.907 1.00 0.00 C ATOM 294 NZ LYS A 21 25.214 -0.422 -19.610 1.00 0.00 N ATOM 0 H LYS A 21 24.242 5.426 -17.885 1.00 0.00 H new ATOM 0 HA LYS A 21 21.566 4.915 -18.880 1.00 0.00 H new ATOM 0 HB2 LYS A 21 23.432 3.499 -16.939 1.00 0.00 H new ATOM 0 HB3 LYS A 21 21.841 2.900 -17.366 1.00 0.00 H new ATOM 0 HG2 LYS A 21 22.484 2.711 -19.737 1.00 0.00 H new ATOM 0 HG3 LYS A 21 24.023 3.489 -19.426 1.00 0.00 H new ATOM 0 HD2 LYS A 21 24.643 1.597 -17.878 1.00 0.00 H new ATOM 0 HD3 LYS A 21 23.123 0.811 -18.255 1.00 0.00 H new ATOM 0 HE2 LYS A 21 23.746 0.682 -20.654 1.00 0.00 H new ATOM 0 HE3 LYS A 21 25.230 1.560 -20.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 25.930 -0.606 -20.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 25.677 -0.358 -18.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 24.522 -1.198 -19.600 1.00 0.00 H new ATOM 308 N TYR A 22 20.137 5.137 -16.769 1.00 0.00 N ATOM 309 CA TYR A 22 19.231 5.551 -15.711 1.00 0.00 C ATOM 310 C TYR A 22 18.309 4.372 -15.363 1.00 0.00 C ATOM 311 O TYR A 22 18.277 3.360 -16.079 1.00 0.00 O ATOM 312 CB TYR A 22 18.489 6.839 -16.134 1.00 0.00 C ATOM 313 CG TYR A 22 17.046 6.622 -16.514 1.00 0.00 C ATOM 314 CD1 TYR A 22 16.744 6.025 -17.746 1.00 0.00 C ATOM 315 CD2 TYR A 22 16.029 6.879 -15.576 1.00 0.00 C ATOM 316 CE1 TYR A 22 15.437 5.598 -18.011 1.00 0.00 C ATOM 317 CE2 TYR A 22 14.717 6.464 -15.839 1.00 0.00 C ATOM 318 CZ TYR A 22 14.427 5.794 -17.043 1.00 0.00 C ATOM 319 OH TYR A 22 13.174 5.321 -17.245 1.00 0.00 O ATOM 0 H TYR A 22 19.691 4.551 -17.475 1.00 0.00 H new ATOM 0 HA TYR A 22 19.769 5.808 -14.798 1.00 0.00 H new ATOM 0 HB2 TYR A 22 18.534 7.557 -15.315 1.00 0.00 H new ATOM 0 HB3 TYR A 22 19.013 7.286 -16.979 1.00 0.00 H new ATOM 0 HD1 TYR A 22 17.517 5.895 -18.489 1.00 0.00 H new ATOM 0 HD2 TYR A 22 16.259 7.395 -14.656 1.00 0.00 H new ATOM 0 HE1 TYR A 22 15.202 5.121 -18.951 1.00 0.00 H new ATOM 0 HE2 TYR A 22 13.932 6.657 -15.122 1.00 0.00 H new ATOM 0 HH TYR A 22 12.523 6.030 -17.061 1.00 0.00 H new ATOM 329 N VAL A 23 17.556 4.495 -14.272 1.00 0.00 N ATOM 330 CA VAL A 23 16.549 3.533 -13.854 1.00 0.00 C ATOM 331 C VAL A 23 15.350 4.314 -13.291 1.00 0.00 C ATOM 332 O VAL A 23 15.508 5.415 -12.746 1.00 0.00 O ATOM 333 CB VAL A 23 17.203 2.523 -12.878 1.00 0.00 C ATOM 334 CG1 VAL A 23 17.509 3.122 -11.500 1.00 0.00 C ATOM 335 CG2 VAL A 23 16.378 1.242 -12.702 1.00 0.00 C ATOM 0 H VAL A 23 17.635 5.291 -13.639 1.00 0.00 H new ATOM 0 HA VAL A 23 16.160 2.932 -14.676 1.00 0.00 H new ATOM 0 HB VAL A 23 18.149 2.265 -13.355 1.00 0.00 H new ATOM 0 HG11 VAL A 23 17.966 2.362 -10.866 1.00 0.00 H new ATOM 0 HG12 VAL A 23 18.196 3.961 -11.612 1.00 0.00 H new ATOM 0 HG13 VAL A 23 16.584 3.470 -11.041 1.00 0.00 H new ATOM 0 HG21 VAL A 23 16.887 0.574 -12.007 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.394 1.494 -12.307 1.00 0.00 H new ATOM 0 HG23 VAL A 23 16.266 0.746 -13.666 1.00 0.00 H new ATOM 345 N LEU A 24 14.155 3.731 -13.420 1.00 0.00 N ATOM 346 CA LEU A 24 12.901 4.271 -12.909 1.00 0.00 C ATOM 347 C LEU A 24 12.511 3.339 -11.774 1.00 0.00 C ATOM 348 O LEU A 24 12.285 2.150 -12.021 1.00 0.00 O ATOM 349 CB LEU A 24 11.831 4.264 -14.019 1.00 0.00 C ATOM 350 CG LEU A 24 10.443 4.787 -13.590 1.00 0.00 C ATOM 351 CD1 LEU A 24 10.482 6.271 -13.217 1.00 0.00 C ATOM 352 CD2 LEU A 24 9.445 4.583 -14.733 1.00 0.00 C ATOM 0 H LEU A 24 14.034 2.839 -13.900 1.00 0.00 H new ATOM 0 HA LEU A 24 12.995 5.303 -12.571 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.189 4.869 -14.852 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.720 3.245 -14.390 1.00 0.00 H new ATOM 0 HG LEU A 24 10.135 4.225 -12.708 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.485 6.598 -12.921 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.174 6.420 -12.388 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.815 6.853 -14.076 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.465 4.952 -14.431 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.783 5.130 -15.613 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.376 3.521 -14.970 1.00 0.00 H new ATOM 364 N ILE A 25 12.468 3.832 -10.538 1.00 0.00 N ATOM 365 CA ILE A 25 12.268 2.982 -9.371 1.00 0.00 C ATOM 366 C ILE A 25 11.109 3.524 -8.542 1.00 0.00 C ATOM 367 O ILE A 25 11.027 4.716 -8.254 1.00 0.00 O ATOM 368 CB ILE A 25 13.610 2.663 -8.649 1.00 0.00 C ATOM 369 CG1 ILE A 25 13.459 2.150 -7.203 1.00 0.00 C ATOM 370 CG2 ILE A 25 14.755 3.691 -8.730 1.00 0.00 C ATOM 371 CD1 ILE A 25 13.380 3.226 -6.117 1.00 0.00 C ATOM 0 H ILE A 25 12.570 4.823 -10.320 1.00 0.00 H new ATOM 0 HA ILE A 25 11.942 1.981 -9.653 1.00 0.00 H new ATOM 0 HB ILE A 25 13.939 1.844 -9.289 1.00 0.00 H new ATOM 0 HG12 ILE A 25 12.559 1.538 -7.147 1.00 0.00 H new ATOM 0 HG13 ILE A 25 14.303 1.497 -6.980 1.00 0.00 H new ATOM 0 HG21 ILE A 25 15.617 3.319 -8.177 1.00 0.00 H new ATOM 0 HG22 ILE A 25 15.032 3.846 -9.773 1.00 0.00 H new ATOM 0 HG23 ILE A 25 14.427 4.636 -8.298 1.00 0.00 H new ATOM 0 HD11 ILE A 25 13.275 2.751 -5.141 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.290 3.826 -6.133 1.00 0.00 H new ATOM 0 HD13 ILE A 25 12.519 3.868 -6.303 1.00 0.00 H new ATOM 383 N ARG A 26 10.165 2.634 -8.240 1.00 0.00 N ATOM 384 CA ARG A 26 9.034 2.872 -7.361 1.00 0.00 C ATOM 385 C ARG A 26 9.514 2.763 -5.924 1.00 0.00 C ATOM 386 O ARG A 26 10.395 1.957 -5.623 1.00 0.00 O ATOM 387 CB ARG A 26 7.948 1.832 -7.677 1.00 0.00 C ATOM 388 CG ARG A 26 6.712 1.928 -6.764 1.00 0.00 C ATOM 389 CD ARG A 26 5.483 1.256 -7.391 1.00 0.00 C ATOM 390 NE ARG A 26 4.966 2.071 -8.500 1.00 0.00 N ATOM 391 CZ ARG A 26 4.091 1.710 -9.444 1.00 0.00 C ATOM 392 NH1 ARG A 26 3.538 0.499 -9.434 1.00 0.00 N ATOM 393 NH2 ARG A 26 3.782 2.579 -10.397 1.00 0.00 N ATOM 0 H ARG A 26 10.173 1.688 -8.621 1.00 0.00 H new ATOM 0 HA ARG A 26 8.611 3.866 -7.508 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.633 1.953 -8.713 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.377 0.834 -7.588 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.932 1.459 -5.805 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.490 2.976 -6.563 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.748 0.263 -7.754 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.708 1.123 -6.636 1.00 0.00 H new ATOM 0 HE ARG A 26 5.317 3.027 -8.556 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.781 -0.166 -8.700 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.872 0.237 -10.160 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.210 3.505 -10.401 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.116 2.321 -11.126 1.00 0.00 H new ATOM 407 N VAL A 27 8.873 3.513 -5.046 1.00 0.00 N ATOM 408 CA VAL A 27 9.092 3.560 -3.618 1.00 0.00 C ATOM 409 C VAL A 27 7.691 3.490 -3.009 1.00 0.00 C ATOM 410 O VAL A 27 6.784 4.172 -3.492 1.00 0.00 O ATOM 411 CB VAL A 27 9.803 4.884 -3.251 1.00 0.00 C ATOM 412 CG1 VAL A 27 10.296 4.818 -1.804 1.00 0.00 C ATOM 413 CG2 VAL A 27 11.006 5.234 -4.145 1.00 0.00 C ATOM 0 H VAL A 27 8.132 4.151 -5.337 1.00 0.00 H new ATOM 0 HA VAL A 27 9.724 2.751 -3.251 1.00 0.00 H new ATOM 0 HB VAL A 27 9.055 5.663 -3.399 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.797 5.752 -1.547 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.447 4.666 -1.137 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.996 3.989 -1.695 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.442 6.177 -3.815 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.754 4.444 -4.075 1.00 0.00 H new ATOM 0 HG23 VAL A 27 10.675 5.329 -5.179 1.00 0.00 H new ATOM 423 N HIS A 28 7.500 2.670 -1.979 1.00 0.00 N ATOM 424 CA HIS A 28 6.236 2.533 -1.258 1.00 0.00 C ATOM 425 C HIS A 28 6.348 3.293 0.065 1.00 0.00 C ATOM 426 O HIS A 28 7.441 3.356 0.638 1.00 0.00 O ATOM 427 CB HIS A 28 5.961 1.044 -1.008 1.00 0.00 C ATOM 428 CG HIS A 28 5.964 0.208 -2.268 1.00 0.00 C ATOM 429 ND1 HIS A 28 5.061 0.277 -3.304 1.00 0.00 N ATOM 430 CD2 HIS A 28 6.883 -0.751 -2.605 1.00 0.00 C ATOM 431 CE1 HIS A 28 5.415 -0.629 -4.228 1.00 0.00 C ATOM 432 NE2 HIS A 28 6.529 -1.282 -3.852 1.00 0.00 N ATOM 0 H HIS A 28 8.237 2.067 -1.613 1.00 0.00 H new ATOM 0 HA HIS A 28 5.411 2.946 -1.839 1.00 0.00 H new ATOM 0 HB2 HIS A 28 6.713 0.654 -0.322 1.00 0.00 H new ATOM 0 HB3 HIS A 28 4.995 0.939 -0.515 1.00 0.00 H new ATOM 0 HD2 HIS A 28 7.735 -1.047 -2.011 1.00 0.00 H new ATOM 0 HE1 HIS A 28 4.879 -0.809 -5.148 1.00 0.00 H new ATOM 0 HE2 HIS A 28 7.016 -2.014 -4.369 1.00 0.00 H new ATOM 440 N SER A 29 5.245 3.861 0.562 1.00 0.00 N ATOM 441 CA SER A 29 5.214 4.575 1.833 1.00 0.00 C ATOM 442 C SER A 29 5.569 3.625 2.986 1.00 0.00 C ATOM 443 O SER A 29 4.726 2.851 3.444 1.00 0.00 O ATOM 444 CB SER A 29 3.834 5.199 2.088 1.00 0.00 C ATOM 445 OG SER A 29 3.302 5.882 0.974 1.00 0.00 O ATOM 0 H SER A 29 4.343 3.835 0.086 1.00 0.00 H new ATOM 0 HA SER A 29 5.951 5.376 1.781 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.140 4.413 2.386 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.909 5.892 2.926 1.00 0.00 H new ATOM 0 HG SER A 29 2.506 6.384 1.248 1.00 0.00 H new ATOM 451 N ALA A 30 6.817 3.674 3.452 1.00 0.00 N ATOM 452 CA ALA A 30 7.270 3.015 4.668 1.00 0.00 C ATOM 453 C ALA A 30 8.430 3.735 5.404 1.00 0.00 C ATOM 454 O ALA A 30 9.057 3.059 6.223 1.00 0.00 O ATOM 455 CB ALA A 30 7.595 1.540 4.363 1.00 0.00 C ATOM 0 H ALA A 30 7.559 4.189 2.977 1.00 0.00 H new ATOM 0 HA ALA A 30 6.446 3.066 5.379 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.934 1.046 5.274 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.701 1.040 3.991 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.380 1.489 3.609 1.00 0.00 H new ATOM 461 N PRO A 31 8.772 5.036 5.199 1.00 0.00 N ATOM 462 CA PRO A 31 9.735 5.715 6.064 1.00 0.00 C ATOM 463 C PRO A 31 9.575 5.399 7.559 1.00 0.00 C ATOM 464 O PRO A 31 8.464 5.380 8.095 1.00 0.00 O ATOM 465 CB PRO A 31 9.592 7.209 5.782 1.00 0.00 C ATOM 466 CG PRO A 31 9.240 7.228 4.301 1.00 0.00 C ATOM 467 CD PRO A 31 8.358 5.983 4.159 1.00 0.00 C ATOM 0 HA PRO A 31 10.738 5.354 5.834 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.812 7.665 6.391 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.515 7.752 5.988 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.708 8.137 4.021 1.00 0.00 H new ATOM 0 HG3 PRO A 31 10.128 7.171 3.671 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.305 6.243 4.272 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.473 5.541 3.169 1.00 0.00 H new ATOM 475 N ARG A 32 10.714 5.131 8.208 1.00 0.00 N ATOM 476 CA ARG A 32 10.896 4.665 9.588 1.00 0.00 C ATOM 477 C ARG A 32 9.842 3.645 10.053 1.00 0.00 C ATOM 478 O ARG A 32 9.507 3.609 11.238 1.00 0.00 O ATOM 479 CB ARG A 32 11.058 5.869 10.541 1.00 0.00 C ATOM 480 CG ARG A 32 12.136 6.896 10.132 1.00 0.00 C ATOM 481 CD ARG A 32 13.530 6.310 9.845 1.00 0.00 C ATOM 482 NE ARG A 32 14.106 5.602 11.002 1.00 0.00 N ATOM 483 CZ ARG A 32 15.140 4.750 10.962 1.00 0.00 C ATOM 484 NH1 ARG A 32 15.771 4.478 9.819 1.00 0.00 N ATOM 485 NH2 ARG A 32 15.545 4.162 12.083 1.00 0.00 N ATOM 0 H ARG A 32 11.612 5.245 7.739 1.00 0.00 H new ATOM 0 HA ARG A 32 11.823 4.093 9.615 1.00 0.00 H new ATOM 0 HB2 ARG A 32 10.100 6.383 10.616 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.297 5.494 11.536 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.792 7.424 9.242 1.00 0.00 H new ATOM 0 HG3 ARG A 32 12.228 7.637 10.926 1.00 0.00 H new ATOM 0 HD2 ARG A 32 13.463 5.622 9.002 1.00 0.00 H new ATOM 0 HD3 ARG A 32 14.202 7.115 9.547 1.00 0.00 H new ATOM 0 HE ARG A 32 13.681 5.775 11.913 1.00 0.00 H new ATOM 0 HH11 ARG A 32 15.469 4.922 8.952 1.00 0.00 H new ATOM 0 HH12 ARG A 32 16.556 3.826 9.812 1.00 0.00 H new ATOM 0 HH21 ARG A 32 15.070 4.361 12.963 1.00 0.00 H new ATOM 0 HH22 ARG A 32 16.331 3.512 12.063 1.00 0.00 H new ATOM 499 N SER A 33 9.329 2.814 9.139 1.00 0.00 N ATOM 500 CA SER A 33 8.288 1.821 9.395 1.00 0.00 C ATOM 501 C SER A 33 7.055 2.424 10.099 1.00 0.00 C ATOM 502 O SER A 33 6.405 1.751 10.903 1.00 0.00 O ATOM 503 CB SER A 33 8.897 0.616 10.134 1.00 0.00 C ATOM 504 OG SER A 33 10.078 0.157 9.487 1.00 0.00 O ATOM 0 H SER A 33 9.640 2.817 8.168 1.00 0.00 H new ATOM 0 HA SER A 33 7.901 1.461 8.442 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.128 0.896 11.162 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.167 -0.192 10.180 1.00 0.00 H new ATOM 0 HG SER A 33 10.444 -0.608 9.979 1.00 0.00 H new ATOM 510 N GLY A 34 6.733 3.693 9.816 1.00 0.00 N ATOM 511 CA GLY A 34 5.673 4.437 10.492 1.00 0.00 C ATOM 512 C GLY A 34 5.076 5.520 9.597 1.00 0.00 C ATOM 513 O GLY A 34 4.661 6.570 10.094 1.00 0.00 O ATOM 0 H GLY A 34 7.212 4.237 9.098 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.887 3.748 10.802 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.071 4.894 11.398 1.00 0.00 H new ATOM 551 N ALA A 38 0.201 3.680 2.746 1.00 0.00 N ATOM 552 CA ALA A 38 0.921 2.701 1.929 1.00 0.00 C ATOM 553 C ALA A 38 0.678 3.020 0.450 1.00 0.00 C ATOM 554 O ALA A 38 0.234 2.169 -0.325 1.00 0.00 O ATOM 555 CB ALA A 38 0.533 1.271 2.317 1.00 0.00 C ATOM 0 HA ALA A 38 1.993 2.769 2.112 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.082 0.564 1.695 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.778 1.099 3.365 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.538 1.131 2.167 1.00 0.00 H new ATOM 561 N GLU A 39 0.897 4.283 0.081 1.00 0.00 N ATOM 562 CA GLU A 39 0.885 4.721 -1.308 1.00 0.00 C ATOM 563 C GLU A 39 2.221 4.341 -1.972 1.00 0.00 C ATOM 564 O GLU A 39 3.076 3.703 -1.346 1.00 0.00 O ATOM 565 CB GLU A 39 0.614 6.237 -1.375 1.00 0.00 C ATOM 566 CG GLU A 39 -0.771 6.608 -0.825 1.00 0.00 C ATOM 567 CD GLU A 39 -1.088 8.098 -1.047 1.00 0.00 C ATOM 568 OE1 GLU A 39 -0.775 8.936 -0.171 1.00 0.00 O ATOM 569 OE2 GLU A 39 -1.675 8.448 -2.096 1.00 0.00 O ATOM 0 H GLU A 39 1.089 5.033 0.745 1.00 0.00 H new ATOM 0 HA GLU A 39 0.085 4.223 -1.855 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.381 6.766 -0.809 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.693 6.572 -2.409 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.532 5.997 -1.311 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.813 6.381 0.240 1.00 0.00 H new ATOM 576 N SER A 40 2.412 4.737 -3.235 1.00 0.00 N ATOM 577 CA SER A 40 3.672 4.570 -3.951 1.00 0.00 C ATOM 578 C SER A 40 3.963 5.801 -4.821 1.00 0.00 C ATOM 579 O SER A 40 3.048 6.546 -5.184 1.00 0.00 O ATOM 580 CB SER A 40 3.662 3.300 -4.809 1.00 0.00 C ATOM 581 OG SER A 40 3.113 2.182 -4.131 1.00 0.00 O ATOM 0 H SER A 40 1.685 5.187 -3.791 1.00 0.00 H new ATOM 0 HA SER A 40 4.465 4.468 -3.210 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.089 3.485 -5.717 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.681 3.067 -5.117 1.00 0.00 H new ATOM 0 HG SER A 40 3.837 1.642 -3.751 1.00 0.00 H new ATOM 587 N LYS A 41 5.241 6.017 -5.137 1.00 0.00 N ATOM 588 CA LYS A 41 5.777 7.162 -5.878 1.00 0.00 C ATOM 589 C LYS A 41 7.032 6.676 -6.588 1.00 0.00 C ATOM 590 O LYS A 41 7.737 5.817 -6.065 1.00 0.00 O ATOM 591 CB LYS A 41 6.057 8.295 -4.868 1.00 0.00 C ATOM 592 CG LYS A 41 7.006 9.455 -5.233 1.00 0.00 C ATOM 593 CD LYS A 41 8.407 9.246 -4.633 1.00 0.00 C ATOM 594 CE LYS A 41 9.419 10.345 -4.990 1.00 0.00 C ATOM 595 NZ LYS A 41 9.024 11.717 -4.590 1.00 0.00 N ATOM 0 H LYS A 41 5.973 5.360 -4.867 1.00 0.00 H new ATOM 0 HA LYS A 41 5.088 7.557 -6.624 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.096 8.737 -4.606 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.451 7.830 -3.964 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.082 9.537 -6.317 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.590 10.395 -4.870 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.320 9.188 -3.548 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.796 8.286 -4.974 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.373 10.106 -4.519 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.583 10.330 -6.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.855 12.226 -4.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.642 12.222 -5.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.298 11.667 -3.847 1.00 0.00 H new ATOM 609 N GLU A 42 7.344 7.261 -7.738 1.00 0.00 N ATOM 610 CA GLU A 42 8.481 6.856 -8.559 1.00 0.00 C ATOM 611 C GLU A 42 9.553 7.932 -8.468 1.00 0.00 C ATOM 612 O GLU A 42 9.225 9.116 -8.340 1.00 0.00 O ATOM 613 CB GLU A 42 8.062 6.682 -10.031 1.00 0.00 C ATOM 614 CG GLU A 42 7.551 5.282 -10.385 1.00 0.00 C ATOM 615 CD GLU A 42 6.154 4.974 -9.831 1.00 0.00 C ATOM 616 OE1 GLU A 42 6.041 4.609 -8.643 1.00 0.00 O ATOM 617 OE2 GLU A 42 5.164 4.989 -10.597 1.00 0.00 O ATOM 0 H GLU A 42 6.811 8.037 -8.131 1.00 0.00 H new ATOM 0 HA GLU A 42 8.860 5.902 -8.194 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.283 7.408 -10.262 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.915 6.916 -10.668 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.533 5.176 -11.470 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.254 4.542 -10.004 1.00 0.00 H new ATOM 624 N ILE A 43 10.816 7.527 -8.608 1.00 0.00 N ATOM 625 CA ILE A 43 11.954 8.422 -8.717 1.00 0.00 C ATOM 626 C ILE A 43 12.782 8.039 -9.937 1.00 0.00 C ATOM 627 O ILE A 43 12.781 6.883 -10.375 1.00 0.00 O ATOM 628 CB ILE A 43 12.798 8.451 -7.421 1.00 0.00 C ATOM 629 CG1 ILE A 43 13.330 7.064 -7.004 1.00 0.00 C ATOM 630 CG2 ILE A 43 11.971 9.080 -6.300 1.00 0.00 C ATOM 631 CD1 ILE A 43 14.124 7.062 -5.692 1.00 0.00 C ATOM 0 H ILE A 43 11.076 6.541 -8.649 1.00 0.00 H new ATOM 0 HA ILE A 43 11.588 9.440 -8.851 1.00 0.00 H new ATOM 0 HB ILE A 43 13.683 9.055 -7.619 1.00 0.00 H new ATOM 0 HG12 ILE A 43 12.488 6.379 -6.907 1.00 0.00 H new ATOM 0 HG13 ILE A 43 13.965 6.677 -7.800 1.00 0.00 H new ATOM 0 HG21 ILE A 43 12.560 9.104 -5.383 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.693 10.096 -6.579 1.00 0.00 H new ATOM 0 HG23 ILE A 43 11.070 8.489 -6.137 1.00 0.00 H new ATOM 0 HD11 ILE A 43 14.461 6.049 -5.472 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.988 7.719 -5.789 1.00 0.00 H new ATOM 0 HD13 ILE A 43 13.488 7.416 -4.881 1.00 0.00 H new ATOM 643 N VAL A 44 13.493 9.030 -10.464 1.00 0.00 N ATOM 644 CA VAL A 44 14.247 8.941 -11.703 1.00 0.00 C ATOM 645 C VAL A 44 15.688 9.256 -11.322 1.00 0.00 C ATOM 646 O VAL A 44 15.969 10.375 -10.881 1.00 0.00 O ATOM 647 CB VAL A 44 13.674 9.953 -12.722 1.00 0.00 C ATOM 648 CG1 VAL A 44 14.354 9.842 -14.091 1.00 0.00 C ATOM 649 CG2 VAL A 44 12.158 9.806 -12.929 1.00 0.00 C ATOM 0 H VAL A 44 13.561 9.947 -10.023 1.00 0.00 H new ATOM 0 HA VAL A 44 14.187 7.960 -12.175 1.00 0.00 H new ATOM 0 HB VAL A 44 13.878 10.930 -12.284 1.00 0.00 H new ATOM 0 HG11 VAL A 44 13.919 10.572 -14.774 1.00 0.00 H new ATOM 0 HG12 VAL A 44 15.421 10.036 -13.984 1.00 0.00 H new ATOM 0 HG13 VAL A 44 14.206 8.839 -14.490 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.817 10.544 -13.655 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.937 8.805 -13.298 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.644 9.965 -11.981 1.00 0.00 H new ATOM 659 N ARG A 45 16.593 8.280 -11.453 1.00 0.00 N ATOM 660 CA ARG A 45 18.003 8.445 -11.097 1.00 0.00 C ATOM 661 C ARG A 45 18.844 7.856 -12.217 1.00 0.00 C ATOM 662 O ARG A 45 18.436 6.868 -12.829 1.00 0.00 O ATOM 663 CB ARG A 45 18.328 7.755 -9.755 1.00 0.00 C ATOM 664 CG ARG A 45 17.526 8.235 -8.531 1.00 0.00 C ATOM 665 CD ARG A 45 17.710 9.717 -8.177 1.00 0.00 C ATOM 666 NE ARG A 45 16.813 10.117 -7.074 1.00 0.00 N ATOM 667 CZ ARG A 45 17.054 9.960 -5.764 1.00 0.00 C ATOM 668 NH1 ARG A 45 18.223 9.483 -5.344 1.00 0.00 N ATOM 669 NH2 ARG A 45 16.114 10.275 -4.880 1.00 0.00 N ATOM 0 H ARG A 45 16.366 7.352 -11.810 1.00 0.00 H new ATOM 0 HA ARG A 45 18.226 9.505 -10.973 1.00 0.00 H new ATOM 0 HB2 ARG A 45 18.165 6.684 -9.872 1.00 0.00 H new ATOM 0 HB3 ARG A 45 19.389 7.895 -9.546 1.00 0.00 H new ATOM 0 HG2 ARG A 45 16.468 8.049 -8.713 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.812 7.633 -7.669 1.00 0.00 H new ATOM 0 HD2 ARG A 45 18.746 9.900 -7.891 1.00 0.00 H new ATOM 0 HD3 ARG A 45 17.508 10.331 -9.055 1.00 0.00 H new ATOM 0 HE ARG A 45 15.928 10.553 -7.333 1.00 0.00 H new ATOM 0 HH11 ARG A 45 18.945 9.233 -6.020 1.00 0.00 H new ATOM 0 HH12 ARG A 45 18.397 9.367 -4.346 1.00 0.00 H new ATOM 0 HH21 ARG A 45 15.214 10.634 -5.199 1.00 0.00 H new ATOM 0 HH22 ARG A 45 16.292 10.158 -3.883 1.00 0.00 H new ATOM 683 N GLY A 46 20.013 8.432 -12.482 1.00 0.00 N ATOM 684 CA GLY A 46 20.906 7.968 -13.529 1.00 0.00 C ATOM 685 C GLY A 46 22.146 8.833 -13.585 1.00 0.00 C ATOM 686 O GLY A 46 22.044 10.061 -13.513 1.00 0.00 O ATOM 0 H GLY A 46 20.366 9.240 -11.970 1.00 0.00 H new ATOM 0 HA2 GLY A 46 21.186 6.931 -13.344 1.00 0.00 H new ATOM 0 HA3 GLY A 46 20.393 7.993 -14.491 1.00 0.00 H new ATOM 690 N TYR A 47 23.308 8.190 -13.693 1.00 0.00 N ATOM 691 CA TYR A 47 24.604 8.853 -13.620 1.00 0.00 C ATOM 692 C TYR A 47 25.634 7.982 -14.326 1.00 0.00 C ATOM 693 O TYR A 47 25.499 6.756 -14.331 1.00 0.00 O ATOM 694 CB TYR A 47 25.049 9.033 -12.156 1.00 0.00 C ATOM 695 CG TYR A 47 23.989 9.466 -11.155 1.00 0.00 C ATOM 696 CD1 TYR A 47 23.153 8.490 -10.578 1.00 0.00 C ATOM 697 CD2 TYR A 47 23.863 10.812 -10.765 1.00 0.00 C ATOM 698 CE1 TYR A 47 22.220 8.844 -9.591 1.00 0.00 C ATOM 699 CE2 TYR A 47 22.924 11.177 -9.782 1.00 0.00 C ATOM 700 CZ TYR A 47 22.110 10.190 -9.177 1.00 0.00 C ATOM 701 OH TYR A 47 21.252 10.505 -8.170 1.00 0.00 O ATOM 0 H TYR A 47 23.374 7.182 -13.835 1.00 0.00 H new ATOM 0 HA TYR A 47 24.522 9.833 -14.090 1.00 0.00 H new ATOM 0 HB2 TYR A 47 25.472 8.089 -11.813 1.00 0.00 H new ATOM 0 HB3 TYR A 47 25.853 9.768 -12.135 1.00 0.00 H new ATOM 0 HD1 TYR A 47 23.231 7.461 -10.898 1.00 0.00 H new ATOM 0 HD2 TYR A 47 24.488 11.566 -11.221 1.00 0.00 H new ATOM 0 HE1 TYR A 47 21.587 8.089 -9.149 1.00 0.00 H new ATOM 0 HE2 TYR A 47 22.825 12.212 -9.489 1.00 0.00 H new ATOM 0 HH TYR A 47 21.349 11.453 -7.942 1.00 0.00 H new ATOM 711 N LYS A 48 26.699 8.586 -14.866 1.00 0.00 N ATOM 712 CA LYS A 48 27.750 7.840 -15.562 1.00 0.00 C ATOM 713 C LYS A 48 28.452 6.808 -14.674 1.00 0.00 C ATOM 714 O LYS A 48 28.941 5.811 -15.204 1.00 0.00 O ATOM 715 CB LYS A 48 28.753 8.796 -16.236 1.00 0.00 C ATOM 716 CG LYS A 48 29.467 9.753 -15.266 1.00 0.00 C ATOM 717 CD LYS A 48 30.457 10.659 -16.015 1.00 0.00 C ATOM 718 CE LYS A 48 30.890 11.849 -15.145 1.00 0.00 C ATOM 719 NZ LYS A 48 29.917 12.968 -15.200 1.00 0.00 N ATOM 0 H LYS A 48 26.855 9.594 -14.833 1.00 0.00 H new ATOM 0 HA LYS A 48 27.255 7.263 -16.343 1.00 0.00 H new ATOM 0 HB2 LYS A 48 29.503 8.205 -16.762 1.00 0.00 H new ATOM 0 HB3 LYS A 48 28.227 9.385 -16.987 1.00 0.00 H new ATOM 0 HG2 LYS A 48 28.731 10.365 -14.746 1.00 0.00 H new ATOM 0 HG3 LYS A 48 29.997 9.178 -14.507 1.00 0.00 H new ATOM 0 HD2 LYS A 48 31.334 10.081 -16.307 1.00 0.00 H new ATOM 0 HD3 LYS A 48 29.996 11.025 -16.933 1.00 0.00 H new ATOM 0 HE2 LYS A 48 31.004 11.519 -14.112 1.00 0.00 H new ATOM 0 HE3 LYS A 48 31.866 12.202 -15.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 30.251 13.748 -14.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 29.827 13.302 -16.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 28.991 12.640 -14.859 1.00 0.00 H new ATOM 733 N TRP A 49 28.502 7.009 -13.349 1.00 0.00 N ATOM 734 CA TRP A 49 29.107 6.026 -12.453 1.00 0.00 C ATOM 735 C TRP A 49 28.304 4.720 -12.404 1.00 0.00 C ATOM 736 O TRP A 49 28.900 3.662 -12.189 1.00 0.00 O ATOM 737 CB TRP A 49 29.375 6.615 -11.057 1.00 0.00 C ATOM 738 CG TRP A 49 28.287 7.384 -10.355 1.00 0.00 C ATOM 739 CD1 TRP A 49 28.298 8.719 -10.144 1.00 0.00 C ATOM 740 CD2 TRP A 49 27.075 6.898 -9.691 1.00 0.00 C ATOM 741 NE1 TRP A 49 27.202 9.090 -9.393 1.00 0.00 N ATOM 742 CE2 TRP A 49 26.412 8.006 -9.078 1.00 0.00 C ATOM 743 CE3 TRP A 49 26.465 5.637 -9.533 1.00 0.00 C ATOM 744 CZ2 TRP A 49 25.213 7.866 -8.360 1.00 0.00 C ATOM 745 CZ3 TRP A 49 25.231 5.495 -8.873 1.00 0.00 C ATOM 746 CH2 TRP A 49 24.597 6.606 -8.292 1.00 0.00 C ATOM 0 H TRP A 49 28.133 7.837 -12.882 1.00 0.00 H new ATOM 0 HA TRP A 49 30.080 5.766 -12.869 1.00 0.00 H new ATOM 0 HB2 TRP A 49 29.665 5.791 -10.405 1.00 0.00 H new ATOM 0 HB3 TRP A 49 30.239 7.274 -11.141 1.00 0.00 H new ATOM 0 HD1 TRP A 49 29.055 9.397 -10.510 1.00 0.00 H new ATOM 0 HE1 TRP A 49 27.001 10.048 -9.106 1.00 0.00 H new ATOM 0 HE3 TRP A 49 26.956 4.760 -9.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 24.770 8.718 -7.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 24.766 4.522 -8.812 1.00 0.00 H new ATOM 0 HH2 TRP A 49 23.644 6.492 -7.797 1.00 0.00 H new ATOM 757 N ALA A 50 26.985 4.751 -12.641 1.00 0.00 N ATOM 758 CA ALA A 50 26.187 3.545 -12.787 1.00 0.00 C ATOM 759 C ALA A 50 26.297 3.068 -14.233 1.00 0.00 C ATOM 760 O ALA A 50 25.411 3.298 -15.057 1.00 0.00 O ATOM 761 CB ALA A 50 24.742 3.774 -12.353 1.00 0.00 C ATOM 0 H ALA A 50 26.451 5.615 -12.735 1.00 0.00 H new ATOM 0 HA ALA A 50 26.568 2.764 -12.129 1.00 0.00 H new ATOM 0 HB1 ALA A 50 24.175 2.851 -12.476 1.00 0.00 H new ATOM 0 HB2 ALA A 50 24.720 4.077 -11.306 1.00 0.00 H new ATOM 0 HB3 ALA A 50 24.298 4.558 -12.967 1.00 0.00 H new ATOM 767 N GLU A 51 27.404 2.392 -14.542 1.00 0.00 N ATOM 768 CA GLU A 51 27.635 1.776 -15.847 1.00 0.00 C ATOM 769 C GLU A 51 26.638 0.636 -16.132 1.00 0.00 C ATOM 770 O GLU A 51 26.626 0.090 -17.237 1.00 0.00 O ATOM 771 CB GLU A 51 29.078 1.251 -15.934 1.00 0.00 C ATOM 772 CG GLU A 51 30.126 2.358 -15.777 1.00 0.00 C ATOM 773 CD GLU A 51 31.552 1.824 -16.001 1.00 0.00 C ATOM 774 OE1 GLU A 51 32.206 1.383 -15.028 1.00 0.00 O ATOM 775 OE2 GLU A 51 32.047 1.856 -17.152 1.00 0.00 O ATOM 0 H GLU A 51 28.173 2.256 -13.886 1.00 0.00 H new ATOM 0 HA GLU A 51 27.480 2.544 -16.605 1.00 0.00 H new ATOM 0 HB2 GLU A 51 29.233 0.499 -15.160 1.00 0.00 H new ATOM 0 HB3 GLU A 51 29.222 0.755 -16.894 1.00 0.00 H new ATOM 0 HG2 GLU A 51 29.920 3.158 -16.488 1.00 0.00 H new ATOM 0 HG3 GLU A 51 30.052 2.791 -14.780 1.00 0.00 H new ATOM 782 N TYR A 52 25.802 0.262 -15.158 1.00 0.00 N ATOM 783 CA TYR A 52 24.742 -0.728 -15.268 1.00 0.00 C ATOM 784 C TYR A 52 23.582 -0.260 -14.388 1.00 0.00 C ATOM 785 O TYR A 52 23.799 0.272 -13.298 1.00 0.00 O ATOM 786 CB TYR A 52 25.228 -2.138 -14.880 1.00 0.00 C ATOM 787 CG TYR A 52 26.313 -2.220 -13.820 1.00 0.00 C ATOM 788 CD1 TYR A 52 27.645 -1.940 -14.176 1.00 0.00 C ATOM 789 CD2 TYR A 52 26.006 -2.599 -12.501 1.00 0.00 C ATOM 790 CE1 TYR A 52 28.670 -2.014 -13.218 1.00 0.00 C ATOM 791 CE2 TYR A 52 27.027 -2.690 -11.536 1.00 0.00 C ATOM 792 CZ TYR A 52 28.364 -2.392 -11.889 1.00 0.00 C ATOM 793 OH TYR A 52 29.344 -2.479 -10.945 1.00 0.00 O ATOM 0 H TYR A 52 25.855 0.668 -14.224 1.00 0.00 H new ATOM 0 HA TYR A 52 24.414 -0.810 -16.304 1.00 0.00 H new ATOM 0 HB2 TYR A 52 24.368 -2.710 -14.531 1.00 0.00 H new ATOM 0 HB3 TYR A 52 25.595 -2.631 -15.780 1.00 0.00 H new ATOM 0 HD1 TYR A 52 27.881 -1.666 -15.194 1.00 0.00 H new ATOM 0 HD2 TYR A 52 24.985 -2.821 -12.228 1.00 0.00 H new ATOM 0 HE1 TYR A 52 29.688 -1.783 -13.495 1.00 0.00 H new ATOM 0 HE2 TYR A 52 26.789 -2.988 -10.525 1.00 0.00 H new ATOM 0 HH TYR A 52 28.951 -2.751 -10.089 1.00 0.00 H new ATOM 803 N HIS A 53 22.347 -0.470 -14.854 1.00 0.00 N ATOM 804 CA HIS A 53 21.123 0.018 -14.208 1.00 0.00 C ATOM 805 C HIS A 53 20.949 -0.580 -12.807 1.00 0.00 C ATOM 806 O HIS A 53 20.400 0.063 -11.911 1.00 0.00 O ATOM 807 CB HIS A 53 19.895 -0.314 -15.075 1.00 0.00 C ATOM 808 CG HIS A 53 20.080 -0.040 -16.550 1.00 0.00 C ATOM 809 ND1 HIS A 53 19.710 1.094 -17.239 1.00 0.00 N ATOM 810 CD2 HIS A 53 20.658 -0.891 -17.456 1.00 0.00 C ATOM 811 CE1 HIS A 53 20.074 0.926 -18.523 1.00 0.00 C ATOM 812 NE2 HIS A 53 20.662 -0.269 -18.705 1.00 0.00 N ATOM 0 H HIS A 53 22.166 -0.995 -15.709 1.00 0.00 H new ATOM 0 HA HIS A 53 21.212 1.099 -14.105 1.00 0.00 H new ATOM 0 HB2 HIS A 53 19.645 -1.367 -14.942 1.00 0.00 H new ATOM 0 HB3 HIS A 53 19.044 0.264 -14.714 1.00 0.00 H new ATOM 0 HD1 HIS A 53 19.245 1.912 -16.847 1.00 0.00 H new ATOM 0 HD2 HIS A 53 21.045 -1.876 -17.240 1.00 0.00 H new ATOM 0 HE1 HIS A 53 19.915 1.655 -19.304 1.00 0.00 H new ATOM 820 N ALA A 54 21.440 -1.806 -12.600 1.00 0.00 N ATOM 821 CA ALA A 54 21.420 -2.444 -11.292 1.00 0.00 C ATOM 822 C ALA A 54 22.199 -1.639 -10.244 1.00 0.00 C ATOM 823 O ALA A 54 21.841 -1.689 -9.069 1.00 0.00 O ATOM 824 CB ALA A 54 21.956 -3.874 -11.397 1.00 0.00 C ATOM 0 H ALA A 54 21.859 -2.377 -13.334 1.00 0.00 H new ATOM 0 HA ALA A 54 20.384 -2.478 -10.954 1.00 0.00 H new ATOM 0 HB1 ALA A 54 21.937 -4.343 -10.413 1.00 0.00 H new ATOM 0 HB2 ALA A 54 21.333 -4.447 -12.084 1.00 0.00 H new ATOM 0 HB3 ALA A 54 22.980 -3.852 -11.769 1.00 0.00 H new ATOM 830 N ASP A 55 23.236 -0.891 -10.645 1.00 0.00 N ATOM 831 CA ASP A 55 24.059 -0.141 -9.696 1.00 0.00 C ATOM 832 C ASP A 55 23.248 0.976 -9.041 1.00 0.00 C ATOM 833 O ASP A 55 23.244 1.101 -7.817 1.00 0.00 O ATOM 834 CB ASP A 55 25.284 0.477 -10.375 1.00 0.00 C ATOM 835 CG ASP A 55 26.268 0.992 -9.314 1.00 0.00 C ATOM 836 OD1 ASP A 55 26.903 0.164 -8.622 1.00 0.00 O ATOM 837 OD2 ASP A 55 26.425 2.224 -9.185 1.00 0.00 O ATOM 0 H ASP A 55 23.522 -0.791 -11.619 1.00 0.00 H new ATOM 0 HA ASP A 55 24.393 -0.851 -8.939 1.00 0.00 H new ATOM 0 HB2 ASP A 55 25.773 -0.265 -11.007 1.00 0.00 H new ATOM 0 HB3 ASP A 55 24.976 1.296 -11.025 1.00 0.00 H new ATOM 842 N ILE A 56 22.518 1.752 -9.853 1.00 0.00 N ATOM 843 CA ILE A 56 21.647 2.815 -9.359 1.00 0.00 C ATOM 844 C ILE A 56 20.489 2.218 -8.581 1.00 0.00 C ATOM 845 O ILE A 56 20.176 2.744 -7.517 1.00 0.00 O ATOM 846 CB ILE A 56 21.109 3.774 -10.457 1.00 0.00 C ATOM 847 CG1 ILE A 56 21.068 3.181 -11.889 1.00 0.00 C ATOM 848 CG2 ILE A 56 21.822 5.126 -10.321 1.00 0.00 C ATOM 849 CD1 ILE A 56 20.930 4.204 -13.011 1.00 0.00 C ATOM 0 H ILE A 56 22.518 1.657 -10.869 1.00 0.00 H new ATOM 0 HA ILE A 56 22.272 3.429 -8.711 1.00 0.00 H new ATOM 0 HB ILE A 56 20.045 3.935 -10.283 1.00 0.00 H new ATOM 0 HG12 ILE A 56 21.979 2.606 -12.053 1.00 0.00 H new ATOM 0 HG13 ILE A 56 20.234 2.482 -11.952 1.00 0.00 H new ATOM 0 HG21 ILE A 56 21.454 5.810 -11.086 1.00 0.00 H new ATOM 0 HG22 ILE A 56 21.623 5.544 -9.334 1.00 0.00 H new ATOM 0 HG23 ILE A 56 22.896 4.985 -10.446 1.00 0.00 H new ATOM 0 HD11 ILE A 56 20.911 3.690 -13.972 1.00 0.00 H new ATOM 0 HD12 ILE A 56 20.004 4.764 -12.881 1.00 0.00 H new ATOM 0 HD13 ILE A 56 21.776 4.890 -12.984 1.00 0.00 H new ATOM 861 N TYR A 57 19.864 1.140 -9.069 1.00 0.00 N ATOM 862 CA TYR A 57 18.744 0.551 -8.353 1.00 0.00 C ATOM 863 C TYR A 57 19.190 0.147 -6.943 1.00 0.00 C ATOM 864 O TYR A 57 18.517 0.498 -5.975 1.00 0.00 O ATOM 865 CB TYR A 57 18.181 -0.657 -9.111 1.00 0.00 C ATOM 866 CG TYR A 57 17.100 -1.369 -8.318 1.00 0.00 C ATOM 867 CD1 TYR A 57 15.961 -0.655 -7.905 1.00 0.00 C ATOM 868 CD2 TYR A 57 17.275 -2.704 -7.910 1.00 0.00 C ATOM 869 CE1 TYR A 57 15.002 -1.257 -7.074 1.00 0.00 C ATOM 870 CE2 TYR A 57 16.312 -3.324 -7.094 1.00 0.00 C ATOM 871 CZ TYR A 57 15.175 -2.601 -6.662 1.00 0.00 C ATOM 872 OH TYR A 57 14.275 -3.215 -5.843 1.00 0.00 O ATOM 0 H TYR A 57 20.114 0.671 -9.940 1.00 0.00 H new ATOM 0 HA TYR A 57 17.948 1.292 -8.276 1.00 0.00 H new ATOM 0 HB2 TYR A 57 17.773 -0.328 -10.067 1.00 0.00 H new ATOM 0 HB3 TYR A 57 18.988 -1.355 -9.332 1.00 0.00 H new ATOM 0 HD1 TYR A 57 15.822 0.366 -8.230 1.00 0.00 H new ATOM 0 HD2 TYR A 57 18.150 -3.253 -8.224 1.00 0.00 H new ATOM 0 HE1 TYR A 57 14.137 -0.698 -6.751 1.00 0.00 H new ATOM 0 HE2 TYR A 57 16.441 -4.354 -6.796 1.00 0.00 H new ATOM 0 HH TYR A 57 13.512 -2.620 -5.691 1.00 0.00 H new ATOM 882 N ASP A 58 20.335 -0.531 -6.811 1.00 0.00 N ATOM 883 CA ASP A 58 20.848 -0.970 -5.518 1.00 0.00 C ATOM 884 C ASP A 58 21.237 0.214 -4.632 1.00 0.00 C ATOM 885 O ASP A 58 20.818 0.273 -3.477 1.00 0.00 O ATOM 886 CB ASP A 58 22.053 -1.897 -5.704 1.00 0.00 C ATOM 887 CG ASP A 58 22.625 -2.315 -4.340 1.00 0.00 C ATOM 888 OD1 ASP A 58 22.017 -3.176 -3.665 1.00 0.00 O ATOM 889 OD2 ASP A 58 23.696 -1.804 -3.945 1.00 0.00 O ATOM 0 H ASP A 58 20.929 -0.789 -7.600 1.00 0.00 H new ATOM 0 HA ASP A 58 20.047 -1.516 -5.020 1.00 0.00 H new ATOM 0 HB2 ASP A 58 21.755 -2.782 -6.267 1.00 0.00 H new ATOM 0 HB3 ASP A 58 22.822 -1.391 -6.288 1.00 0.00 H new ATOM 894 N LYS A 59 21.997 1.178 -5.169 1.00 0.00 N ATOM 895 CA LYS A 59 22.437 2.363 -4.429 1.00 0.00 C ATOM 896 C LYS A 59 21.235 3.121 -3.883 1.00 0.00 C ATOM 897 O LYS A 59 21.161 3.398 -2.684 1.00 0.00 O ATOM 898 CB LYS A 59 23.307 3.239 -5.351 1.00 0.00 C ATOM 899 CG LYS A 59 23.582 4.655 -4.804 1.00 0.00 C ATOM 900 CD LYS A 59 25.021 5.085 -5.121 1.00 0.00 C ATOM 901 CE LYS A 59 25.292 6.567 -4.816 1.00 0.00 C ATOM 902 NZ LYS A 59 25.265 6.881 -3.364 1.00 0.00 N ATOM 0 H LYS A 59 22.324 1.155 -6.135 1.00 0.00 H new ATOM 0 HA LYS A 59 23.042 2.067 -3.572 1.00 0.00 H new ATOM 0 HB2 LYS A 59 24.259 2.736 -5.519 1.00 0.00 H new ATOM 0 HB3 LYS A 59 22.816 3.325 -6.320 1.00 0.00 H new ATOM 0 HG2 LYS A 59 22.880 5.363 -5.243 1.00 0.00 H new ATOM 0 HG3 LYS A 59 23.420 4.672 -3.726 1.00 0.00 H new ATOM 0 HD2 LYS A 59 25.712 4.470 -4.545 1.00 0.00 H new ATOM 0 HD3 LYS A 59 25.227 4.894 -6.174 1.00 0.00 H new ATOM 0 HE2 LYS A 59 26.265 6.843 -5.223 1.00 0.00 H new ATOM 0 HE3 LYS A 59 24.548 7.178 -5.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 25.454 7.894 -3.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 24.329 6.647 -2.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 25.993 6.322 -2.874 1.00 0.00 H new ATOM 916 N VAL A 60 20.296 3.458 -4.760 1.00 0.00 N ATOM 917 CA VAL A 60 19.170 4.295 -4.409 1.00 0.00 C ATOM 918 C VAL A 60 18.254 3.520 -3.468 1.00 0.00 C ATOM 919 O VAL A 60 17.873 4.075 -2.442 1.00 0.00 O ATOM 920 CB VAL A 60 18.477 4.795 -5.687 1.00 0.00 C ATOM 921 CG1 VAL A 60 17.230 5.612 -5.324 1.00 0.00 C ATOM 922 CG2 VAL A 60 19.434 5.672 -6.517 1.00 0.00 C ATOM 0 H VAL A 60 20.300 3.155 -5.734 1.00 0.00 H new ATOM 0 HA VAL A 60 19.490 5.189 -3.873 1.00 0.00 H new ATOM 0 HB VAL A 60 18.187 3.927 -6.279 1.00 0.00 H new ATOM 0 HG11 VAL A 60 16.746 5.962 -6.236 1.00 0.00 H new ATOM 0 HG12 VAL A 60 16.536 4.987 -4.762 1.00 0.00 H new ATOM 0 HG13 VAL A 60 17.521 6.469 -4.716 1.00 0.00 H new ATOM 0 HG21 VAL A 60 18.924 6.016 -7.417 1.00 0.00 H new ATOM 0 HG22 VAL A 60 19.745 6.533 -5.925 1.00 0.00 H new ATOM 0 HG23 VAL A 60 20.311 5.089 -6.797 1.00 0.00 H new ATOM 932 N SER A 61 17.941 2.250 -3.740 1.00 0.00 N ATOM 933 CA SER A 61 17.091 1.472 -2.844 1.00 0.00 C ATOM 934 C SER A 61 17.754 1.267 -1.481 1.00 0.00 C ATOM 935 O SER A 61 17.043 1.090 -0.494 1.00 0.00 O ATOM 936 CB SER A 61 16.699 0.134 -3.469 1.00 0.00 C ATOM 937 OG SER A 61 16.119 0.356 -4.735 1.00 0.00 O ATOM 0 H SER A 61 18.262 1.745 -4.566 1.00 0.00 H new ATOM 0 HA SER A 61 16.178 2.045 -2.686 1.00 0.00 H new ATOM 0 HB2 SER A 61 17.577 -0.504 -3.567 1.00 0.00 H new ATOM 0 HB3 SER A 61 15.995 -0.389 -2.822 1.00 0.00 H new ATOM 0 HG SER A 61 16.819 0.354 -5.421 1.00 0.00 H new ATOM 943 N GLY A 62 19.086 1.310 -1.389 1.00 0.00 N ATOM 944 CA GLY A 62 19.794 1.330 -0.121 1.00 0.00 C ATOM 945 C GLY A 62 19.412 2.572 0.679 1.00 0.00 C ATOM 946 O GLY A 62 19.013 2.453 1.837 1.00 0.00 O ATOM 0 H GLY A 62 19.701 1.332 -2.202 1.00 0.00 H new ATOM 0 HA2 GLY A 62 19.555 0.433 0.451 1.00 0.00 H new ATOM 0 HA3 GLY A 62 20.870 1.319 -0.297 1.00 0.00 H new ATOM 950 N ASP A 63 19.465 3.759 0.066 1.00 0.00 N ATOM 951 CA ASP A 63 19.063 4.991 0.741 1.00 0.00 C ATOM 952 C ASP A 63 17.563 5.005 1.028 1.00 0.00 C ATOM 953 O ASP A 63 17.169 5.346 2.138 1.00 0.00 O ATOM 954 CB ASP A 63 19.454 6.242 -0.042 1.00 0.00 C ATOM 955 CG ASP A 63 19.102 7.502 0.770 1.00 0.00 C ATOM 956 OD1 ASP A 63 19.940 7.915 1.604 1.00 0.00 O ATOM 957 OD2 ASP A 63 18.009 8.078 0.569 1.00 0.00 O ATOM 0 H ASP A 63 19.782 3.890 -0.895 1.00 0.00 H new ATOM 0 HA ASP A 63 19.605 5.009 1.687 1.00 0.00 H new ATOM 0 HB2 ASP A 63 20.522 6.226 -0.260 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.934 6.259 -1.000 1.00 0.00 H new ATOM 962 N MET A 64 16.714 4.566 0.096 1.00 0.00 N ATOM 963 CA MET A 64 15.283 4.450 0.370 1.00 0.00 C ATOM 964 C MET A 64 15.033 3.553 1.589 1.00 0.00 C ATOM 965 O MET A 64 14.270 3.929 2.475 1.00 0.00 O ATOM 966 CB MET A 64 14.547 3.915 -0.864 1.00 0.00 C ATOM 967 CG MET A 64 14.624 4.796 -2.118 1.00 0.00 C ATOM 968 SD MET A 64 13.866 6.433 -1.948 1.00 0.00 S ATOM 969 CE MET A 64 15.327 7.420 -1.539 1.00 0.00 C ATOM 0 H MET A 64 16.990 4.288 -0.846 1.00 0.00 H new ATOM 0 HA MET A 64 14.893 5.442 0.599 1.00 0.00 H new ATOM 0 HB2 MET A 64 14.951 2.932 -1.107 1.00 0.00 H new ATOM 0 HB3 MET A 64 13.498 3.774 -0.606 1.00 0.00 H new ATOM 0 HG2 MET A 64 15.672 4.923 -2.391 1.00 0.00 H new ATOM 0 HG3 MET A 64 14.141 4.272 -2.943 1.00 0.00 H new ATOM 0 HE1 MET A 64 15.017 8.417 -1.228 1.00 0.00 H new ATOM 0 HE2 MET A 64 15.875 6.940 -0.728 1.00 0.00 H new ATOM 0 HE3 MET A 64 15.971 7.497 -2.415 1.00 0.00 H new ATOM 979 N GLN A 65 15.698 2.403 1.700 1.00 0.00 N ATOM 980 CA GLN A 65 15.551 1.513 2.845 1.00 0.00 C ATOM 981 C GLN A 65 16.158 2.107 4.125 1.00 0.00 C ATOM 982 O GLN A 65 15.652 1.825 5.210 1.00 0.00 O ATOM 983 CB GLN A 65 16.197 0.161 2.520 1.00 0.00 C ATOM 984 CG GLN A 65 15.313 -0.705 1.610 1.00 0.00 C ATOM 985 CD GLN A 65 16.070 -1.927 1.094 1.00 0.00 C ATOM 986 OE1 GLN A 65 15.857 -3.054 1.536 1.00 0.00 O ATOM 987 NE2 GLN A 65 16.979 -1.725 0.155 1.00 0.00 N ATOM 0 H GLN A 65 16.354 2.064 0.996 1.00 0.00 H new ATOM 0 HA GLN A 65 14.486 1.379 3.036 1.00 0.00 H new ATOM 0 HB2 GLN A 65 17.159 0.328 2.036 1.00 0.00 H new ATOM 0 HB3 GLN A 65 16.396 -0.376 3.447 1.00 0.00 H new ATOM 0 HG2 GLN A 65 14.429 -1.028 2.160 1.00 0.00 H new ATOM 0 HG3 GLN A 65 14.963 -0.109 0.767 1.00 0.00 H new ATOM 0 HE21 GLN A 65 17.144 -0.784 -0.201 1.00 0.00 H new ATOM 0 HE22 GLN A 65 17.515 -2.511 -0.213 1.00 0.00 H new ATOM 996 N LYS A 66 17.191 2.953 4.031 1.00 0.00 N ATOM 997 CA LYS A 66 17.714 3.717 5.165 1.00 0.00 C ATOM 998 C LYS A 66 16.631 4.679 5.667 1.00 0.00 C ATOM 999 O LYS A 66 16.412 4.772 6.877 1.00 0.00 O ATOM 1000 CB LYS A 66 18.981 4.449 4.695 1.00 0.00 C ATOM 1001 CG LYS A 66 19.730 5.271 5.753 1.00 0.00 C ATOM 1002 CD LYS A 66 20.451 6.458 5.088 1.00 0.00 C ATOM 1003 CE LYS A 66 21.430 6.047 3.972 1.00 0.00 C ATOM 1004 NZ LYS A 66 22.016 7.227 3.294 1.00 0.00 N ATOM 0 H LYS A 66 17.690 3.126 3.158 1.00 0.00 H new ATOM 0 HA LYS A 66 17.980 3.071 6.001 1.00 0.00 H new ATOM 0 HB2 LYS A 66 19.670 3.710 4.287 1.00 0.00 H new ATOM 0 HB3 LYS A 66 18.706 5.115 3.877 1.00 0.00 H new ATOM 0 HG2 LYS A 66 19.030 5.636 6.504 1.00 0.00 H new ATOM 0 HG3 LYS A 66 20.453 4.640 6.270 1.00 0.00 H new ATOM 0 HD2 LYS A 66 19.706 7.137 4.673 1.00 0.00 H new ATOM 0 HD3 LYS A 66 20.997 7.013 5.851 1.00 0.00 H new ATOM 0 HE2 LYS A 66 22.228 5.437 4.395 1.00 0.00 H new ATOM 0 HE3 LYS A 66 20.909 5.429 3.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 22.988 7.009 2.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 21.443 7.468 2.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 22.028 8.034 3.950 1.00 0.00 H new ATOM 1018 N GLN A 67 15.917 5.355 4.757 1.00 0.00 N ATOM 1019 CA GLN A 67 14.755 6.163 5.119 1.00 0.00 C ATOM 1020 C GLN A 67 13.651 5.275 5.704 1.00 0.00 C ATOM 1021 O GLN A 67 12.962 5.699 6.627 1.00 0.00 O ATOM 1022 CB GLN A 67 14.246 7.001 3.929 1.00 0.00 C ATOM 1023 CG GLN A 67 15.319 7.964 3.388 1.00 0.00 C ATOM 1024 CD GLN A 67 14.785 8.961 2.356 1.00 0.00 C ATOM 1025 OE1 GLN A 67 13.712 9.538 2.512 1.00 0.00 O ATOM 1026 NE2 GLN A 67 15.529 9.216 1.291 1.00 0.00 N ATOM 0 H GLN A 67 16.129 5.355 3.759 1.00 0.00 H new ATOM 0 HA GLN A 67 15.062 6.872 5.887 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.924 6.334 3.129 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.371 7.573 4.239 1.00 0.00 H new ATOM 0 HG2 GLN A 67 15.754 8.515 4.222 1.00 0.00 H new ATOM 0 HG3 GLN A 67 16.123 7.382 2.937 1.00 0.00 H new ATOM 0 HE21 GLN A 67 16.420 8.735 1.164 1.00 0.00 H new ATOM 0 HE22 GLN A 67 15.212 9.893 0.597 1.00 0.00 H new ATOM 1035 N GLY A 68 13.511 4.040 5.219 1.00 0.00 N ATOM 1036 CA GLY A 68 12.661 2.978 5.767 1.00 0.00 C ATOM 1037 C GLY A 68 11.820 2.269 4.697 1.00 0.00 C ATOM 1038 O GLY A 68 11.135 1.291 4.996 1.00 0.00 O ATOM 0 H GLY A 68 14.016 3.736 4.386 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.288 2.244 6.274 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.997 3.404 6.519 1.00 0.00 H new ATOM 1042 N CYS A 69 11.852 2.779 3.466 1.00 0.00 N ATOM 1043 CA CYS A 69 10.988 2.409 2.357 1.00 0.00 C ATOM 1044 C CYS A 69 11.231 0.982 1.843 1.00 0.00 C ATOM 1045 O CYS A 69 12.188 0.311 2.230 1.00 0.00 O ATOM 1046 CB CYS A 69 11.256 3.401 1.224 1.00 0.00 C ATOM 1047 SG CYS A 69 10.974 5.111 1.766 1.00 0.00 S ATOM 0 H CYS A 69 12.522 3.503 3.206 1.00 0.00 H new ATOM 0 HA CYS A 69 9.955 2.438 2.705 1.00 0.00 H new ATOM 0 HB2 CYS A 69 12.284 3.292 0.877 1.00 0.00 H new ATOM 0 HB3 CYS A 69 10.608 3.174 0.378 1.00 0.00 H new ATOM 0 HG CYS A 69 11.412 5.932 0.858 1.00 0.00 H new ATOM 1053 N ASP A 70 10.395 0.569 0.891 1.00 0.00 N ATOM 1054 CA ASP A 70 10.541 -0.643 0.085 1.00 0.00 C ATOM 1055 C ASP A 70 10.412 -0.187 -1.369 1.00 0.00 C ATOM 1056 O ASP A 70 9.695 0.790 -1.626 1.00 0.00 O ATOM 1057 CB ASP A 70 9.482 -1.684 0.460 1.00 0.00 C ATOM 1058 CG ASP A 70 9.592 -2.941 -0.419 1.00 0.00 C ATOM 1059 OD1 ASP A 70 10.720 -3.432 -0.643 1.00 0.00 O ATOM 1060 OD2 ASP A 70 8.543 -3.457 -0.867 1.00 0.00 O ATOM 0 H ASP A 70 9.556 1.096 0.649 1.00 0.00 H new ATOM 0 HA ASP A 70 11.500 -1.133 0.255 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.597 -1.960 1.508 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.488 -1.249 0.352 1.00 0.00 H new ATOM 1065 N CYS A 71 11.087 -0.855 -2.312 1.00 0.00 N ATOM 1066 CA CYS A 71 11.237 -0.363 -3.679 1.00 0.00 C ATOM 1067 C CYS A 71 11.203 -1.451 -4.752 1.00 0.00 C ATOM 1068 O CYS A 71 11.461 -2.620 -4.463 1.00 0.00 O ATOM 1069 CB CYS A 71 12.608 0.324 -3.780 1.00 0.00 C ATOM 1070 SG CYS A 71 12.757 1.690 -2.597 1.00 0.00 S ATOM 0 H CYS A 71 11.543 -1.752 -2.145 1.00 0.00 H new ATOM 0 HA CYS A 71 10.392 0.300 -3.864 1.00 0.00 H new ATOM 0 HB2 CYS A 71 13.396 -0.406 -3.595 1.00 0.00 H new ATOM 0 HB3 CYS A 71 12.753 0.701 -4.792 1.00 0.00 H new ATOM 0 HG CYS A 71 13.431 1.293 -1.558 1.00 0.00 H new ATOM 1076 N GLU A 72 10.995 -1.045 -6.011 1.00 0.00 N ATOM 1077 CA GLU A 72 11.059 -1.905 -7.194 1.00 0.00 C ATOM 1078 C GLU A 72 11.526 -1.071 -8.393 1.00 0.00 C ATOM 1079 O GLU A 72 10.948 -0.018 -8.660 1.00 0.00 O ATOM 1080 CB GLU A 72 9.661 -2.463 -7.532 1.00 0.00 C ATOM 1081 CG GLU A 72 9.092 -3.502 -6.553 1.00 0.00 C ATOM 1082 CD GLU A 72 9.921 -4.799 -6.431 1.00 0.00 C ATOM 1083 OE1 GLU A 72 10.722 -5.131 -7.334 1.00 0.00 O ATOM 1084 OE2 GLU A 72 9.724 -5.548 -5.445 1.00 0.00 O ATOM 0 H GLU A 72 10.770 -0.077 -6.239 1.00 0.00 H new ATOM 0 HA GLU A 72 11.747 -2.725 -6.988 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.963 -1.628 -7.589 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.702 -2.913 -8.524 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.011 -3.045 -5.567 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.081 -3.762 -6.868 1.00 0.00 H new ATOM 1091 N CYS A 73 12.556 -1.508 -9.123 1.00 0.00 N ATOM 1092 CA CYS A 73 12.914 -0.909 -10.407 1.00 0.00 C ATOM 1093 C CYS A 73 11.814 -1.328 -11.389 1.00 0.00 C ATOM 1094 O CYS A 73 11.669 -2.511 -11.706 1.00 0.00 O ATOM 1095 CB CYS A 73 14.320 -1.341 -10.877 1.00 0.00 C ATOM 1096 SG CYS A 73 14.658 -3.074 -10.434 1.00 0.00 S ATOM 0 H CYS A 73 13.159 -2.281 -8.842 1.00 0.00 H new ATOM 0 HA CYS A 73 12.973 0.177 -10.332 1.00 0.00 H new ATOM 0 HB2 CYS A 73 14.400 -1.217 -11.957 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.072 -0.694 -10.425 1.00 0.00 H new ATOM 0 HG CYS A 73 15.432 -3.608 -11.331 1.00 0.00 H new ATOM 1102 N LEU A 74 11.004 -0.369 -11.844 1.00 0.00 N ATOM 1103 CA LEU A 74 9.940 -0.626 -12.811 1.00 0.00 C ATOM 1104 C LEU A 74 10.539 -0.958 -14.183 1.00 0.00 C ATOM 1105 O LEU A 74 9.917 -1.663 -14.978 1.00 0.00 O ATOM 1106 CB LEU A 74 9.001 0.587 -12.916 1.00 0.00 C ATOM 1107 CG LEU A 74 8.276 0.971 -11.609 1.00 0.00 C ATOM 1108 CD1 LEU A 74 7.268 2.084 -11.905 1.00 0.00 C ATOM 1109 CD2 LEU A 74 7.545 -0.209 -10.952 1.00 0.00 C ATOM 0 H LEU A 74 11.069 0.606 -11.551 1.00 0.00 H new ATOM 0 HA LEU A 74 9.359 -1.482 -12.467 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.579 1.445 -13.258 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.252 0.382 -13.681 1.00 0.00 H new ATOM 0 HG LEU A 74 9.039 1.304 -10.906 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.751 2.361 -10.986 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.792 2.953 -12.303 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.542 1.732 -12.637 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.057 0.129 -10.038 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.796 -0.602 -11.640 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.263 -0.993 -10.711 1.00 0.00 H new ATOM 1121 N GLY A 75 11.746 -0.462 -14.452 1.00 0.00 N ATOM 1122 CA GLY A 75 12.533 -0.716 -15.643 1.00 0.00 C ATOM 1123 C GLY A 75 13.674 0.292 -15.668 1.00 0.00 C ATOM 1124 O GLY A 75 13.887 1.023 -14.694 1.00 0.00 O ATOM 0 H GLY A 75 12.222 0.164 -13.802 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.922 -1.734 -15.634 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.917 -0.618 -16.537 1.00 0.00 H new ATOM 1128 N GLY A 76 14.369 0.393 -16.793 1.00 0.00 N ATOM 1129 CA GLY A 76 15.381 1.414 -16.998 1.00 0.00 C ATOM 1130 C GLY A 76 15.645 1.613 -18.480 1.00 0.00 C ATOM 1131 O GLY A 76 14.984 1.004 -19.327 1.00 0.00 O ATOM 0 H GLY A 76 14.245 -0.233 -17.589 1.00 0.00 H new ATOM 0 HA2 GLY A 76 15.054 2.353 -16.552 1.00 0.00 H new ATOM 0 HA3 GLY A 76 16.304 1.126 -16.494 1.00 0.00 H new ATOM 1135 N GLY A 77 16.622 2.461 -18.780 1.00 0.00 N ATOM 1136 CA GLY A 77 16.974 2.883 -20.123 1.00 0.00 C ATOM 1137 C GLY A 77 18.186 3.798 -20.033 1.00 0.00 C ATOM 1138 O GLY A 77 18.920 3.772 -19.039 1.00 0.00 O ATOM 0 H GLY A 77 17.211 2.887 -18.064 1.00 0.00 H new ATOM 0 HA2 GLY A 77 17.197 2.017 -20.747 1.00 0.00 H new ATOM 0 HA3 GLY A 77 16.138 3.405 -20.589 1.00 0.00 H new ATOM 1142 N ARG A 78 18.407 4.629 -21.046 1.00 0.00 N ATOM 1143 CA ARG A 78 19.571 5.498 -21.137 1.00 0.00 C ATOM 1144 C ARG A 78 19.104 6.918 -21.410 1.00 0.00 C ATOM 1145 O ARG A 78 18.020 7.143 -21.954 1.00 0.00 O ATOM 1146 CB ARG A 78 20.515 4.915 -22.202 1.00 0.00 C ATOM 1147 CG ARG A 78 21.845 5.668 -22.379 1.00 0.00 C ATOM 1148 CD ARG A 78 22.864 4.892 -23.225 1.00 0.00 C ATOM 1149 NE ARG A 78 22.379 4.602 -24.585 1.00 0.00 N ATOM 1150 CZ ARG A 78 21.828 3.455 -25.008 1.00 0.00 C ATOM 1151 NH1 ARG A 78 21.584 2.444 -24.182 1.00 0.00 N ATOM 1152 NH2 ARG A 78 21.512 3.318 -26.284 1.00 0.00 N ATOM 0 H ARG A 78 17.771 4.718 -21.839 1.00 0.00 H new ATOM 0 HA ARG A 78 20.138 5.546 -20.207 1.00 0.00 H new ATOM 0 HB2 ARG A 78 20.734 3.879 -21.943 1.00 0.00 H new ATOM 0 HB3 ARG A 78 19.993 4.901 -23.159 1.00 0.00 H new ATOM 0 HG2 ARG A 78 21.651 6.633 -22.848 1.00 0.00 H new ATOM 0 HG3 ARG A 78 22.275 5.871 -21.398 1.00 0.00 H new ATOM 0 HD2 ARG A 78 23.788 5.467 -23.289 1.00 0.00 H new ATOM 0 HD3 ARG A 78 23.106 3.955 -22.724 1.00 0.00 H new ATOM 0 HE ARG A 78 22.471 5.348 -25.274 1.00 0.00 H new ATOM 0 HH11 ARG A 78 21.817 2.526 -23.192 1.00 0.00 H new ATOM 0 HH12 ARG A 78 21.164 1.585 -24.537 1.00 0.00 H new ATOM 0 HH21 ARG A 78 21.688 4.081 -26.938 1.00 0.00 H new ATOM 0 HH22 ARG A 78 21.092 2.449 -26.615 1.00 0.00 H new ATOM 1166 N ILE A 79 19.929 7.871 -20.999 1.00 0.00 N ATOM 1167 CA ILE A 79 19.669 9.292 -21.019 1.00 0.00 C ATOM 1168 C ILE A 79 20.821 9.921 -21.798 1.00 0.00 C ATOM 1169 O ILE A 79 21.976 9.510 -21.651 1.00 0.00 O ATOM 1170 CB ILE A 79 19.538 9.798 -19.559 1.00 0.00 C ATOM 1171 CG1 ILE A 79 18.140 9.395 -19.028 1.00 0.00 C ATOM 1172 CG2 ILE A 79 19.749 11.319 -19.450 1.00 0.00 C ATOM 1173 CD1 ILE A 79 17.780 9.922 -17.632 1.00 0.00 C ATOM 0 H ILE A 79 20.851 7.653 -20.621 1.00 0.00 H new ATOM 0 HA ILE A 79 18.733 9.562 -21.509 1.00 0.00 H new ATOM 0 HB ILE A 79 20.319 9.338 -18.954 1.00 0.00 H new ATOM 0 HG12 ILE A 79 17.388 9.747 -19.734 1.00 0.00 H new ATOM 0 HG13 ILE A 79 18.077 8.307 -19.013 1.00 0.00 H new ATOM 0 HG21 ILE A 79 19.648 11.627 -18.409 1.00 0.00 H new ATOM 0 HG22 ILE A 79 20.746 11.575 -19.809 1.00 0.00 H new ATOM 0 HG23 ILE A 79 19.003 11.834 -20.055 1.00 0.00 H new ATOM 0 HD11 ILE A 79 16.781 9.580 -17.360 1.00 0.00 H new ATOM 0 HD12 ILE A 79 18.501 9.549 -16.905 1.00 0.00 H new ATOM 0 HD13 ILE A 79 17.801 11.012 -17.638 1.00 0.00 H new ATOM 1185 N SER A 80 20.491 10.935 -22.591 1.00 0.00 N ATOM 1186 CA SER A 80 21.412 11.688 -23.428 1.00 0.00 C ATOM 1187 C SER A 80 21.023 13.166 -23.364 1.00 0.00 C ATOM 1188 O SER A 80 19.902 13.492 -22.968 1.00 0.00 O ATOM 1189 CB SER A 80 21.321 11.176 -24.874 1.00 0.00 C ATOM 1190 OG SER A 80 21.543 9.778 -24.955 1.00 0.00 O ATOM 0 H SER A 80 19.530 11.268 -22.670 1.00 0.00 H new ATOM 0 HA SER A 80 22.437 11.563 -23.078 1.00 0.00 H new ATOM 0 HB2 SER A 80 20.338 11.412 -25.281 1.00 0.00 H new ATOM 0 HB3 SER A 80 22.054 11.696 -25.490 1.00 0.00 H new ATOM 0 HG SER A 80 20.712 9.329 -25.215 1.00 0.00 H new ATOM 1333 N HIS A 89 17.081 13.702 -23.501 1.00 0.00 N ATOM 1334 CA HIS A 89 16.242 12.705 -24.143 1.00 0.00 C ATOM 1335 C HIS A 89 16.415 11.373 -23.409 1.00 0.00 C ATOM 1336 O HIS A 89 17.472 11.131 -22.817 1.00 0.00 O ATOM 1337 CB HIS A 89 16.624 12.609 -25.627 1.00 0.00 C ATOM 1338 CG HIS A 89 15.631 11.839 -26.460 1.00 0.00 C ATOM 1339 ND1 HIS A 89 14.476 12.341 -27.017 1.00 0.00 N ATOM 1340 CD2 HIS A 89 15.722 10.525 -26.838 1.00 0.00 C ATOM 1341 CE1 HIS A 89 13.892 11.357 -27.721 1.00 0.00 C ATOM 1342 NE2 HIS A 89 14.612 10.224 -27.636 1.00 0.00 N ATOM 0 HA HIS A 89 15.189 12.981 -24.093 1.00 0.00 H new ATOM 0 HB2 HIS A 89 16.723 13.616 -26.033 1.00 0.00 H new ATOM 0 HB3 HIS A 89 17.601 12.134 -25.711 1.00 0.00 H new ATOM 0 HD2 HIS A 89 16.513 9.841 -26.567 1.00 0.00 H new ATOM 0 HE1 HIS A 89 12.972 11.461 -28.278 1.00 0.00 H new ATOM 0 HE2 HIS A 89 14.393 9.326 -28.067 1.00 0.00 H new ATOM 1350 N VAL A 90 15.400 10.508 -23.462 1.00 0.00 N ATOM 1351 CA VAL A 90 15.340 9.241 -22.735 1.00 0.00 C ATOM 1352 C VAL A 90 14.954 8.156 -23.751 1.00 0.00 C ATOM 1353 O VAL A 90 13.991 8.330 -24.498 1.00 0.00 O ATOM 1354 CB VAL A 90 14.316 9.346 -21.575 1.00 0.00 C ATOM 1355 CG1 VAL A 90 14.469 8.169 -20.602 1.00 0.00 C ATOM 1356 CG2 VAL A 90 14.413 10.649 -20.757 1.00 0.00 C ATOM 0 H VAL A 90 14.571 10.677 -24.031 1.00 0.00 H new ATOM 0 HA VAL A 90 16.299 8.990 -22.282 1.00 0.00 H new ATOM 0 HB VAL A 90 13.344 9.333 -22.067 1.00 0.00 H new ATOM 0 HG11 VAL A 90 13.740 8.265 -19.797 1.00 0.00 H new ATOM 0 HG12 VAL A 90 14.301 7.233 -21.134 1.00 0.00 H new ATOM 0 HG13 VAL A 90 15.475 8.172 -20.183 1.00 0.00 H new ATOM 0 HG21 VAL A 90 13.662 10.640 -19.967 1.00 0.00 H new ATOM 0 HG22 VAL A 90 15.405 10.727 -20.313 1.00 0.00 H new ATOM 0 HG23 VAL A 90 14.240 11.503 -21.412 1.00 0.00 H new ATOM 1366 N TYR A 91 15.708 7.060 -23.835 1.00 0.00 N ATOM 1367 CA TYR A 91 15.516 6.024 -24.853 1.00 0.00 C ATOM 1368 C TYR A 91 16.155 4.704 -24.409 1.00 0.00 C ATOM 1369 O TYR A 91 16.706 4.619 -23.308 1.00 0.00 O ATOM 1370 CB TYR A 91 16.073 6.499 -26.214 1.00 0.00 C ATOM 1371 CG TYR A 91 17.582 6.430 -26.428 1.00 0.00 C ATOM 1372 CD1 TYR A 91 18.490 6.911 -25.461 1.00 0.00 C ATOM 1373 CD2 TYR A 91 18.081 5.900 -27.635 1.00 0.00 C ATOM 1374 CE1 TYR A 91 19.875 6.839 -25.683 1.00 0.00 C ATOM 1375 CE2 TYR A 91 19.466 5.851 -27.878 1.00 0.00 C ATOM 1376 CZ TYR A 91 20.371 6.322 -26.900 1.00 0.00 C ATOM 1377 OH TYR A 91 21.719 6.264 -27.107 1.00 0.00 O ATOM 0 H TYR A 91 16.476 6.863 -23.193 1.00 0.00 H new ATOM 0 HA TYR A 91 14.448 5.844 -24.975 1.00 0.00 H new ATOM 0 HB2 TYR A 91 15.596 5.908 -26.996 1.00 0.00 H new ATOM 0 HB3 TYR A 91 15.761 7.533 -26.361 1.00 0.00 H new ATOM 0 HD1 TYR A 91 18.117 7.338 -24.542 1.00 0.00 H new ATOM 0 HD2 TYR A 91 17.394 5.528 -28.380 1.00 0.00 H new ATOM 0 HE1 TYR A 91 20.562 7.179 -24.922 1.00 0.00 H new ATOM 0 HE2 TYR A 91 19.837 5.454 -28.811 1.00 0.00 H new ATOM 0 HH TYR A 91 21.898 5.883 -27.992 1.00 0.00 H new ATOM 1387 N GLY A 92 16.115 3.676 -25.261 1.00 0.00 N ATOM 1388 CA GLY A 92 16.706 2.381 -24.964 1.00 0.00 C ATOM 1389 C GLY A 92 15.887 1.610 -23.930 1.00 0.00 C ATOM 1390 O GLY A 92 14.755 1.983 -23.608 1.00 0.00 O ATOM 0 H GLY A 92 15.669 3.725 -26.177 1.00 0.00 H new ATOM 0 HA2 GLY A 92 16.779 1.795 -25.880 1.00 0.00 H new ATOM 0 HA3 GLY A 92 17.721 2.521 -24.593 1.00 0.00 H new ATOM 1394 N TYR A 93 16.453 0.516 -23.420 1.00 0.00 N ATOM 1395 CA TYR A 93 15.849 -0.287 -22.365 1.00 0.00 C ATOM 1396 C TYR A 93 16.947 -0.974 -21.558 1.00 0.00 C ATOM 1397 O TYR A 93 17.998 -1.313 -22.109 1.00 0.00 O ATOM 1398 CB TYR A 93 14.870 -1.315 -22.955 1.00 0.00 C ATOM 1399 CG TYR A 93 15.436 -2.352 -23.908 1.00 0.00 C ATOM 1400 CD1 TYR A 93 15.894 -3.592 -23.418 1.00 0.00 C ATOM 1401 CD2 TYR A 93 15.437 -2.107 -25.295 1.00 0.00 C ATOM 1402 CE1 TYR A 93 16.356 -4.579 -24.306 1.00 0.00 C ATOM 1403 CE2 TYR A 93 15.888 -3.093 -26.190 1.00 0.00 C ATOM 1404 CZ TYR A 93 16.353 -4.336 -25.699 1.00 0.00 C ATOM 1405 OH TYR A 93 16.789 -5.306 -26.552 1.00 0.00 O ATOM 0 H TYR A 93 17.356 0.161 -23.735 1.00 0.00 H new ATOM 0 HA TYR A 93 15.279 0.364 -21.701 1.00 0.00 H new ATOM 0 HB2 TYR A 93 14.396 -1.842 -22.127 1.00 0.00 H new ATOM 0 HB3 TYR A 93 14.084 -0.770 -23.478 1.00 0.00 H new ATOM 0 HD1 TYR A 93 15.890 -3.785 -22.355 1.00 0.00 H new ATOM 0 HD2 TYR A 93 15.090 -1.157 -25.673 1.00 0.00 H new ATOM 0 HE1 TYR A 93 16.714 -5.524 -23.924 1.00 0.00 H new ATOM 0 HE2 TYR A 93 15.880 -2.902 -27.253 1.00 0.00 H new ATOM 0 HH TYR A 93 16.723 -4.984 -27.475 1.00 0.00 H new ATOM 1415 N SER A 94 16.716 -1.176 -20.259 1.00 0.00 N ATOM 1416 CA SER A 94 17.670 -1.882 -19.421 1.00 0.00 C ATOM 1417 C SER A 94 17.647 -3.368 -19.774 1.00 0.00 C ATOM 1418 O SER A 94 16.577 -3.969 -19.873 1.00 0.00 O ATOM 1419 CB SER A 94 17.393 -1.626 -17.931 1.00 0.00 C ATOM 1420 OG SER A 94 16.202 -2.221 -17.453 1.00 0.00 O ATOM 0 H SER A 94 15.878 -0.859 -19.772 1.00 0.00 H new ATOM 0 HA SER A 94 18.675 -1.504 -19.611 1.00 0.00 H new ATOM 0 HB2 SER A 94 18.233 -2.001 -17.347 1.00 0.00 H new ATOM 0 HB3 SER A 94 17.342 -0.550 -17.762 1.00 0.00 H new ATOM 0 HG SER A 94 15.454 -1.965 -18.032 1.00 0.00 H new ATOM 1426 N MET A 95 18.817 -3.986 -19.936 1.00 0.00 N ATOM 1427 CA MET A 95 18.899 -5.439 -20.045 1.00 0.00 C ATOM 1428 C MET A 95 18.551 -6.090 -18.697 1.00 0.00 C ATOM 1429 O MET A 95 18.068 -7.222 -18.663 1.00 0.00 O ATOM 1430 CB MET A 95 20.280 -5.881 -20.563 1.00 0.00 C ATOM 1431 CG MET A 95 21.483 -5.594 -19.646 1.00 0.00 C ATOM 1432 SD MET A 95 21.863 -3.856 -19.258 1.00 0.00 S ATOM 1433 CE MET A 95 22.217 -3.199 -20.914 1.00 0.00 C ATOM 0 H MET A 95 19.715 -3.505 -19.994 1.00 0.00 H new ATOM 0 HA MET A 95 18.167 -5.778 -20.778 1.00 0.00 H new ATOM 0 HB2 MET A 95 20.245 -6.954 -20.754 1.00 0.00 H new ATOM 0 HB3 MET A 95 20.457 -5.392 -21.521 1.00 0.00 H new ATOM 0 HG2 MET A 95 21.319 -6.119 -18.705 1.00 0.00 H new ATOM 0 HG3 MET A 95 22.367 -6.035 -20.106 1.00 0.00 H new ATOM 0 HE1 MET A 95 22.587 -2.177 -20.829 1.00 0.00 H new ATOM 0 HE2 MET A 95 22.972 -3.819 -21.398 1.00 0.00 H new ATOM 0 HE3 MET A 95 21.305 -3.206 -21.511 1.00 0.00 H new ATOM 1443 N ALA A 96 18.785 -5.372 -17.587 1.00 0.00 N ATOM 1444 CA ALA A 96 18.563 -5.870 -16.239 1.00 0.00 C ATOM 1445 C ALA A 96 17.073 -5.974 -15.893 1.00 0.00 C ATOM 1446 O ALA A 96 16.670 -6.981 -15.308 1.00 0.00 O ATOM 1447 CB ALA A 96 19.265 -4.943 -15.238 1.00 0.00 C ATOM 0 H ALA A 96 19.139 -4.416 -17.612 1.00 0.00 H new ATOM 0 HA ALA A 96 18.977 -6.877 -16.183 1.00 0.00 H new ATOM 0 HB1 ALA A 96 19.102 -5.311 -14.225 1.00 0.00 H new ATOM 0 HB2 ALA A 96 20.334 -4.922 -15.449 1.00 0.00 H new ATOM 0 HB3 ALA A 96 18.858 -3.936 -15.328 1.00 0.00 H new ATOM 1453 N TYR A 97 16.258 -4.975 -16.264 1.00 0.00 N ATOM 1454 CA TYR A 97 14.875 -4.853 -15.789 1.00 0.00 C ATOM 1455 C TYR A 97 13.865 -4.547 -16.905 1.00 0.00 C ATOM 1456 O TYR A 97 12.675 -4.390 -16.620 1.00 0.00 O ATOM 1457 CB TYR A 97 14.824 -3.776 -14.687 1.00 0.00 C ATOM 1458 CG TYR A 97 15.861 -3.925 -13.584 1.00 0.00 C ATOM 1459 CD1 TYR A 97 15.932 -5.119 -12.839 1.00 0.00 C ATOM 1460 CD2 TYR A 97 16.763 -2.877 -13.309 1.00 0.00 C ATOM 1461 CE1 TYR A 97 16.906 -5.279 -11.841 1.00 0.00 C ATOM 1462 CE2 TYR A 97 17.729 -3.023 -12.296 1.00 0.00 C ATOM 1463 CZ TYR A 97 17.810 -4.230 -11.563 1.00 0.00 C ATOM 1464 OH TYR A 97 18.748 -4.372 -10.585 1.00 0.00 O ATOM 0 H TYR A 97 16.541 -4.230 -16.901 1.00 0.00 H new ATOM 0 HA TYR A 97 14.575 -5.822 -15.390 1.00 0.00 H new ATOM 0 HB2 TYR A 97 14.950 -2.798 -15.152 1.00 0.00 H new ATOM 0 HB3 TYR A 97 13.832 -3.789 -14.235 1.00 0.00 H new ATOM 0 HD1 TYR A 97 15.232 -5.917 -13.037 1.00 0.00 H new ATOM 0 HD2 TYR A 97 16.713 -1.960 -13.877 1.00 0.00 H new ATOM 0 HE1 TYR A 97 16.964 -6.204 -11.286 1.00 0.00 H new ATOM 0 HE2 TYR A 97 18.409 -2.213 -12.078 1.00 0.00 H new ATOM 0 HH TYR A 97 19.502 -4.896 -10.928 1.00 0.00 H new ATOM 1474 N GLY A 98 14.299 -4.486 -18.166 1.00 0.00 N ATOM 1475 CA GLY A 98 13.441 -4.187 -19.303 1.00 0.00 C ATOM 1476 C GLY A 98 13.208 -2.681 -19.461 1.00 0.00 C ATOM 1477 O GLY A 98 13.796 -1.873 -18.729 1.00 0.00 O ATOM 0 H GLY A 98 15.273 -4.646 -18.424 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.893 -4.582 -20.213 1.00 0.00 H new ATOM 0 HA3 GLY A 98 12.483 -4.692 -19.178 1.00 0.00 H new ATOM 1481 N PRO A 99 12.378 -2.280 -20.438 1.00 0.00 N ATOM 1482 CA PRO A 99 12.038 -0.883 -20.655 1.00 0.00 C ATOM 1483 C PRO A 99 11.170 -0.367 -19.509 1.00 0.00 C ATOM 1484 O PRO A 99 10.184 -1.000 -19.121 1.00 0.00 O ATOM 1485 CB PRO A 99 11.276 -0.839 -21.985 1.00 0.00 C ATOM 1486 CG PRO A 99 10.692 -2.245 -22.126 1.00 0.00 C ATOM 1487 CD PRO A 99 11.711 -3.134 -21.413 1.00 0.00 C ATOM 0 HA PRO A 99 12.924 -0.249 -20.689 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.492 -0.081 -21.971 1.00 0.00 H new ATOM 0 HB3 PRO A 99 11.938 -0.597 -22.816 1.00 0.00 H new ATOM 0 HG2 PRO A 99 9.706 -2.317 -21.666 1.00 0.00 H new ATOM 0 HG3 PRO A 99 10.577 -2.528 -23.172 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.220 -3.975 -20.923 1.00 0.00 H new ATOM 0 HD3 PRO A 99 12.427 -3.551 -22.121 1.00 0.00 H new ATOM 1495 N ALA A 100 11.534 0.797 -18.975 1.00 0.00 N ATOM 1496 CA ALA A 100 10.686 1.527 -18.046 1.00 0.00 C ATOM 1497 C ALA A 100 9.553 2.208 -18.817 1.00 0.00 C ATOM 1498 O ALA A 100 9.593 2.320 -20.046 1.00 0.00 O ATOM 1499 CB ALA A 100 11.519 2.625 -17.388 1.00 0.00 C ATOM 0 H ALA A 100 12.422 1.256 -19.176 1.00 0.00 H new ATOM 0 HA ALA A 100 10.282 0.838 -17.305 1.00 0.00 H new ATOM 0 HB1 ALA A 100 10.898 3.183 -16.687 1.00 0.00 H new ATOM 0 HB2 ALA A 100 12.356 2.176 -16.853 1.00 0.00 H new ATOM 0 HB3 ALA A 100 11.899 3.301 -18.154 1.00 0.00 H new ATOM 1505 N GLN A 101 8.563 2.723 -18.084 1.00 0.00 N ATOM 1506 CA GLN A 101 7.561 3.610 -18.650 1.00 0.00 C ATOM 1507 C GLN A 101 8.249 4.972 -18.736 1.00 0.00 C ATOM 1508 O GLN A 101 8.092 5.806 -17.847 1.00 0.00 O ATOM 1509 CB GLN A 101 6.295 3.683 -17.784 1.00 0.00 C ATOM 1510 CG GLN A 101 5.467 2.398 -17.754 1.00 0.00 C ATOM 1511 CD GLN A 101 5.015 1.941 -19.143 1.00 0.00 C ATOM 1512 OE1 GLN A 101 5.549 0.990 -19.709 1.00 0.00 O ATOM 1513 NE2 GLN A 101 4.035 2.609 -19.732 1.00 0.00 N ATOM 0 H GLN A 101 8.439 2.535 -17.089 1.00 0.00 H new ATOM 0 HA GLN A 101 7.219 3.254 -19.622 1.00 0.00 H new ATOM 0 HB2 GLN A 101 6.583 3.937 -16.764 1.00 0.00 H new ATOM 0 HB3 GLN A 101 5.667 4.495 -18.150 1.00 0.00 H new ATOM 0 HG2 GLN A 101 6.055 1.605 -17.291 1.00 0.00 H new ATOM 0 HG3 GLN A 101 4.590 2.553 -17.126 1.00 0.00 H new ATOM 0 HE21 GLN A 101 3.597 3.397 -19.256 1.00 0.00 H new ATOM 0 HE22 GLN A 101 3.718 2.335 -20.662 1.00 0.00 H new ATOM 1522 N HIS A 102 9.054 5.191 -19.776 1.00 0.00 N ATOM 1523 CA HIS A 102 9.817 6.424 -19.962 1.00 0.00 C ATOM 1524 C HIS A 102 8.931 7.676 -19.961 1.00 0.00 C ATOM 1525 O HIS A 102 9.425 8.759 -19.655 1.00 0.00 O ATOM 1526 CB HIS A 102 10.643 6.306 -21.244 1.00 0.00 C ATOM 1527 CG HIS A 102 11.685 5.225 -21.143 1.00 0.00 C ATOM 1528 ND1 HIS A 102 11.710 4.008 -21.790 1.00 0.00 N ATOM 1529 CD2 HIS A 102 12.721 5.229 -20.258 1.00 0.00 C ATOM 1530 CE1 HIS A 102 12.740 3.301 -21.292 1.00 0.00 C ATOM 1531 NE2 HIS A 102 13.386 4.003 -20.345 1.00 0.00 N ATOM 0 H HIS A 102 9.196 4.509 -20.521 1.00 0.00 H new ATOM 0 HA HIS A 102 10.487 6.549 -19.111 1.00 0.00 H new ATOM 0 HB2 HIS A 102 9.981 6.095 -22.084 1.00 0.00 H new ATOM 0 HB3 HIS A 102 11.128 7.260 -21.452 1.00 0.00 H new ATOM 0 HD1 HIS A 102 11.063 3.699 -22.516 1.00 0.00 H new ATOM 0 HD2 HIS A 102 12.984 6.043 -19.599 1.00 0.00 H new ATOM 0 HE1 HIS A 102 13.011 2.305 -21.610 1.00 0.00 H new ATOM 1539 N ALA A 103 7.630 7.520 -20.233 1.00 0.00 N ATOM 1540 CA ALA A 103 6.618 8.551 -20.060 1.00 0.00 C ATOM 1541 C ALA A 103 6.650 9.139 -18.639 1.00 0.00 C ATOM 1542 O ALA A 103 6.591 10.358 -18.476 1.00 0.00 O ATOM 1543 CB ALA A 103 5.246 7.921 -20.341 1.00 0.00 C ATOM 0 H ALA A 103 7.248 6.644 -20.590 1.00 0.00 H new ATOM 0 HA ALA A 103 6.815 9.370 -20.752 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.468 8.674 -20.218 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.223 7.539 -21.362 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.072 7.102 -19.643 1.00 0.00 H new ATOM 1549 N ILE A 104 6.767 8.284 -17.612 1.00 0.00 N ATOM 1550 CA ILE A 104 6.888 8.700 -16.217 1.00 0.00 C ATOM 1551 C ILE A 104 8.144 9.559 -16.094 1.00 0.00 C ATOM 1552 O ILE A 104 8.084 10.653 -15.539 1.00 0.00 O ATOM 1553 CB ILE A 104 6.990 7.480 -15.263 1.00 0.00 C ATOM 1554 CG1 ILE A 104 5.858 6.439 -15.420 1.00 0.00 C ATOM 1555 CG2 ILE A 104 7.097 7.933 -13.793 1.00 0.00 C ATOM 1556 CD1 ILE A 104 4.503 6.841 -14.840 1.00 0.00 C ATOM 0 H ILE A 104 6.780 7.271 -17.735 1.00 0.00 H new ATOM 0 HA ILE A 104 5.999 9.261 -15.930 1.00 0.00 H new ATOM 0 HB ILE A 104 7.906 6.969 -15.561 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.730 6.226 -16.481 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.175 5.511 -14.945 1.00 0.00 H new ATOM 0 HG21 ILE A 104 7.167 7.058 -13.147 1.00 0.00 H new ATOM 0 HG22 ILE A 104 7.987 8.550 -13.666 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.213 8.512 -13.525 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.784 6.039 -15.005 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.605 7.022 -13.770 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.152 7.749 -15.330 1.00 0.00 H new ATOM 1568 N SER A 105 9.271 9.074 -16.619 1.00 0.00 N ATOM 1569 CA SER A 105 10.564 9.702 -16.465 1.00 0.00 C ATOM 1570 C SER A 105 10.540 11.126 -17.012 1.00 0.00 C ATOM 1571 O SER A 105 10.901 12.060 -16.296 1.00 0.00 O ATOM 1572 CB SER A 105 11.610 8.817 -17.146 1.00 0.00 C ATOM 1573 OG SER A 105 11.446 7.489 -16.671 1.00 0.00 O ATOM 0 H SER A 105 9.300 8.217 -17.172 1.00 0.00 H new ATOM 0 HA SER A 105 10.826 9.794 -15.411 1.00 0.00 H new ATOM 0 HB2 SER A 105 11.489 8.851 -18.229 1.00 0.00 H new ATOM 0 HB3 SER A 105 12.615 9.178 -16.926 1.00 0.00 H new ATOM 0 HG SER A 105 11.978 7.365 -15.857 1.00 0.00 H new ATOM 1579 N THR A 106 10.058 11.312 -18.241 1.00 0.00 N ATOM 1580 CA THR A 106 9.942 12.637 -18.833 1.00 0.00 C ATOM 1581 C THR A 106 8.962 13.526 -18.065 1.00 0.00 C ATOM 1582 O THR A 106 9.269 14.700 -17.867 1.00 0.00 O ATOM 1583 CB THR A 106 9.592 12.541 -20.327 1.00 0.00 C ATOM 1584 OG1 THR A 106 8.565 11.604 -20.593 1.00 0.00 O ATOM 1585 CG2 THR A 106 10.823 12.103 -21.121 1.00 0.00 C ATOM 0 H THR A 106 9.741 10.554 -18.846 1.00 0.00 H new ATOM 0 HA THR A 106 10.916 13.120 -18.755 1.00 0.00 H new ATOM 0 HB THR A 106 9.248 13.532 -20.623 1.00 0.00 H new ATOM 0 HG1 THR A 106 8.051 11.441 -19.775 1.00 0.00 H new ATOM 0 HG21 THR A 106 10.569 12.037 -22.179 1.00 0.00 H new ATOM 0 HG22 THR A 106 11.622 12.832 -20.985 1.00 0.00 H new ATOM 0 HG23 THR A 106 11.157 11.128 -20.766 1.00 0.00 H new ATOM 1593 N GLU A 107 7.822 13.009 -17.591 1.00 0.00 N ATOM 1594 CA GLU A 107 6.867 13.815 -16.838 1.00 0.00 C ATOM 1595 C GLU A 107 7.487 14.292 -15.521 1.00 0.00 C ATOM 1596 O GLU A 107 7.411 15.480 -15.205 1.00 0.00 O ATOM 1597 CB GLU A 107 5.561 13.043 -16.586 1.00 0.00 C ATOM 1598 CG GLU A 107 4.647 13.057 -17.821 1.00 0.00 C ATOM 1599 CD GLU A 107 3.312 12.336 -17.554 1.00 0.00 C ATOM 1600 OE1 GLU A 107 2.432 12.911 -16.873 1.00 0.00 O ATOM 1601 OE2 GLU A 107 3.107 11.204 -18.048 1.00 0.00 O ATOM 0 H GLU A 107 7.543 12.036 -17.718 1.00 0.00 H new ATOM 0 HA GLU A 107 6.619 14.691 -17.437 1.00 0.00 H new ATOM 0 HB2 GLU A 107 5.793 12.013 -16.316 1.00 0.00 H new ATOM 0 HB3 GLU A 107 5.035 13.483 -15.739 1.00 0.00 H new ATOM 0 HG2 GLU A 107 4.451 14.088 -18.116 1.00 0.00 H new ATOM 0 HG3 GLU A 107 5.158 12.578 -18.656 1.00 0.00 H new ATOM 1608 N LYS A 108 8.147 13.400 -14.771 1.00 0.00 N ATOM 1609 CA LYS A 108 8.807 13.776 -13.523 1.00 0.00 C ATOM 1610 C LYS A 108 9.927 14.776 -13.793 1.00 0.00 C ATOM 1611 O LYS A 108 10.038 15.766 -13.071 1.00 0.00 O ATOM 1612 CB LYS A 108 9.362 12.543 -12.789 1.00 0.00 C ATOM 1613 CG LYS A 108 8.333 11.543 -12.231 1.00 0.00 C ATOM 1614 CD LYS A 108 7.174 12.207 -11.470 1.00 0.00 C ATOM 1615 CE LYS A 108 6.553 11.302 -10.398 1.00 0.00 C ATOM 1616 NZ LYS A 108 7.456 11.113 -9.237 1.00 0.00 N ATOM 0 H LYS A 108 8.236 12.413 -15.011 1.00 0.00 H new ATOM 0 HA LYS A 108 8.061 14.244 -12.880 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.019 12.007 -13.474 1.00 0.00 H new ATOM 0 HB3 LYS A 108 9.980 12.891 -11.962 1.00 0.00 H new ATOM 0 HG2 LYS A 108 7.926 10.957 -13.055 1.00 0.00 H new ATOM 0 HG3 LYS A 108 8.841 10.846 -11.565 1.00 0.00 H new ATOM 0 HD2 LYS A 108 7.535 13.121 -10.999 1.00 0.00 H new ATOM 0 HD3 LYS A 108 6.401 12.498 -12.181 1.00 0.00 H new ATOM 0 HE2 LYS A 108 5.612 11.736 -10.058 1.00 0.00 H new ATOM 0 HE3 LYS A 108 6.317 10.332 -10.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 7.742 10.115 -9.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 8.301 11.708 -9.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 6.960 11.383 -8.364 1.00 0.00 H new ATOM 1630 N ILE A 109 10.738 14.553 -14.832 1.00 0.00 N ATOM 1631 CA ILE A 109 11.799 15.481 -15.200 1.00 0.00 C ATOM 1632 C ILE A 109 11.180 16.845 -15.520 1.00 0.00 C ATOM 1633 O ILE A 109 11.604 17.829 -14.925 1.00 0.00 O ATOM 1634 CB ILE A 109 12.676 14.892 -16.331 1.00 0.00 C ATOM 1635 CG1 ILE A 109 13.596 13.774 -15.783 1.00 0.00 C ATOM 1636 CG2 ILE A 109 13.569 15.975 -16.957 1.00 0.00 C ATOM 1637 CD1 ILE A 109 14.193 12.871 -16.874 1.00 0.00 C ATOM 0 H ILE A 109 10.675 13.731 -15.433 1.00 0.00 H new ATOM 0 HA ILE A 109 12.485 15.635 -14.367 1.00 0.00 H new ATOM 0 HB ILE A 109 11.999 14.488 -17.084 1.00 0.00 H new ATOM 0 HG12 ILE A 109 14.408 14.230 -15.217 1.00 0.00 H new ATOM 0 HG13 ILE A 109 13.028 13.158 -15.086 1.00 0.00 H new ATOM 0 HG21 ILE A 109 14.175 15.534 -17.749 1.00 0.00 H new ATOM 0 HG22 ILE A 109 12.945 16.765 -17.375 1.00 0.00 H new ATOM 0 HG23 ILE A 109 14.222 16.395 -16.192 1.00 0.00 H new ATOM 0 HD11 ILE A 109 14.826 12.113 -16.413 1.00 0.00 H new ATOM 0 HD12 ILE A 109 13.388 12.385 -17.425 1.00 0.00 H new ATOM 0 HD13 ILE A 109 14.790 13.474 -17.559 1.00 0.00 H new ATOM 1649 N LYS A 110 10.166 16.948 -16.387 1.00 0.00 N ATOM 1650 CA LYS A 110 9.577 18.252 -16.712 1.00 0.00 C ATOM 1651 C LYS A 110 8.985 18.920 -15.468 1.00 0.00 C ATOM 1652 O LYS A 110 9.109 20.138 -15.333 1.00 0.00 O ATOM 1653 CB LYS A 110 8.533 18.143 -17.838 1.00 0.00 C ATOM 1654 CG LYS A 110 9.177 17.893 -19.214 1.00 0.00 C ATOM 1655 CD LYS A 110 8.183 17.935 -20.388 1.00 0.00 C ATOM 1656 CE LYS A 110 7.465 19.292 -20.492 1.00 0.00 C ATOM 1657 NZ LYS A 110 6.688 19.445 -21.746 1.00 0.00 N ATOM 0 H LYS A 110 9.741 16.156 -16.870 1.00 0.00 H new ATOM 0 HA LYS A 110 10.383 18.887 -17.079 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.841 17.332 -17.611 1.00 0.00 H new ATOM 0 HB3 LYS A 110 7.946 19.061 -17.876 1.00 0.00 H new ATOM 0 HG2 LYS A 110 9.953 18.640 -19.382 1.00 0.00 H new ATOM 0 HG3 LYS A 110 9.668 16.920 -19.202 1.00 0.00 H new ATOM 0 HD2 LYS A 110 8.714 17.734 -21.319 1.00 0.00 H new ATOM 0 HD3 LYS A 110 7.444 17.143 -20.265 1.00 0.00 H new ATOM 0 HE2 LYS A 110 6.795 19.408 -19.640 1.00 0.00 H new ATOM 0 HE3 LYS A 110 8.202 20.092 -20.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 5.932 20.144 -21.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.318 19.768 -22.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 6.268 18.530 -22.008 1.00 0.00 H new ATOM 1671 N ALA A 111 8.391 18.156 -14.544 1.00 0.00 N ATOM 1672 CA ALA A 111 7.861 18.699 -13.298 1.00 0.00 C ATOM 1673 C ALA A 111 8.970 19.305 -12.426 1.00 0.00 C ATOM 1674 O ALA A 111 8.773 20.375 -11.850 1.00 0.00 O ATOM 1675 CB ALA A 111 7.100 17.610 -12.530 1.00 0.00 C ATOM 0 H ALA A 111 8.267 17.148 -14.643 1.00 0.00 H new ATOM 0 HA ALA A 111 7.170 19.504 -13.549 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.708 18.026 -11.602 1.00 0.00 H new ATOM 0 HB2 ALA A 111 6.274 17.244 -13.140 1.00 0.00 H new ATOM 0 HB3 ALA A 111 7.776 16.786 -12.302 1.00 0.00 H new ATOM 1681 N LYS A 112 10.133 18.647 -12.321 1.00 0.00 N ATOM 1682 CA LYS A 112 11.258 19.125 -11.505 1.00 0.00 C ATOM 1683 C LYS A 112 12.143 20.139 -12.241 1.00 0.00 C ATOM 1684 O LYS A 112 12.907 20.848 -11.587 1.00 0.00 O ATOM 1685 CB LYS A 112 12.086 17.929 -11.004 1.00 0.00 C ATOM 1686 CG LYS A 112 11.352 17.099 -9.935 1.00 0.00 C ATOM 1687 CD LYS A 112 10.981 17.840 -8.636 1.00 0.00 C ATOM 1688 CE LYS A 112 12.200 18.479 -7.948 1.00 0.00 C ATOM 1689 NZ LYS A 112 11.835 19.164 -6.681 1.00 0.00 N ATOM 0 H LYS A 112 10.320 17.766 -12.801 1.00 0.00 H new ATOM 0 HA LYS A 112 10.837 19.656 -10.651 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.335 17.286 -11.849 1.00 0.00 H new ATOM 0 HB3 LYS A 112 13.027 18.292 -10.592 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.438 16.703 -10.377 1.00 0.00 H new ATOM 0 HG3 LYS A 112 11.977 16.244 -9.676 1.00 0.00 H new ATOM 0 HD2 LYS A 112 10.248 18.615 -8.861 1.00 0.00 H new ATOM 0 HD3 LYS A 112 10.505 17.142 -7.948 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.943 17.709 -7.742 1.00 0.00 H new ATOM 0 HE3 LYS A 112 12.663 19.196 -8.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 12.687 19.579 -6.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 11.145 19.917 -6.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 11.417 18.476 -6.022 1.00 0.00 H new ATOM 1703 N TYR A 113 12.052 20.195 -13.571 1.00 0.00 N ATOM 1704 CA TYR A 113 12.882 20.982 -14.480 1.00 0.00 C ATOM 1705 C TYR A 113 14.384 21.003 -14.110 1.00 0.00 C ATOM 1706 O TYR A 113 14.967 22.079 -13.957 1.00 0.00 O ATOM 1707 CB TYR A 113 12.242 22.357 -14.773 1.00 0.00 C ATOM 1708 CG TYR A 113 11.842 23.202 -13.573 1.00 0.00 C ATOM 1709 CD1 TYR A 113 10.564 23.044 -13.000 1.00 0.00 C ATOM 1710 CD2 TYR A 113 12.727 24.161 -13.042 1.00 0.00 C ATOM 1711 CE1 TYR A 113 10.182 23.815 -11.890 1.00 0.00 C ATOM 1712 CE2 TYR A 113 12.351 24.939 -11.931 1.00 0.00 C ATOM 1713 CZ TYR A 113 11.075 24.765 -11.347 1.00 0.00 C ATOM 1714 OH TYR A 113 10.695 25.508 -10.268 1.00 0.00 O ATOM 0 H TYR A 113 11.348 19.654 -14.074 1.00 0.00 H new ATOM 0 HA TYR A 113 12.898 20.462 -15.438 1.00 0.00 H new ATOM 0 HB2 TYR A 113 12.942 22.935 -15.376 1.00 0.00 H new ATOM 0 HB3 TYR A 113 11.354 22.194 -15.384 1.00 0.00 H new ATOM 0 HD1 TYR A 113 9.874 22.325 -13.417 1.00 0.00 H new ATOM 0 HD2 TYR A 113 13.700 24.300 -13.490 1.00 0.00 H new ATOM 0 HE1 TYR A 113 9.204 23.681 -11.451 1.00 0.00 H new ATOM 0 HE2 TYR A 113 13.036 25.668 -11.525 1.00 0.00 H new ATOM 0 HH TYR A 113 11.423 26.114 -10.016 1.00 0.00 H new ATOM 1771 N GLU A 117 13.364 21.326 -20.792 1.00 0.00 N ATOM 1772 CA GLU A 117 12.333 20.421 -21.284 1.00 0.00 C ATOM 1773 C GLU A 117 13.065 19.162 -21.763 1.00 0.00 C ATOM 1774 O GLU A 117 14.261 19.228 -22.056 1.00 0.00 O ATOM 1775 CB GLU A 117 11.532 21.101 -22.418 1.00 0.00 C ATOM 1776 CG GLU A 117 10.557 20.142 -23.118 1.00 0.00 C ATOM 1777 CD GLU A 117 9.481 20.861 -23.946 1.00 0.00 C ATOM 1778 OE1 GLU A 117 9.814 21.650 -24.861 1.00 0.00 O ATOM 1779 OE2 GLU A 117 8.280 20.606 -23.699 1.00 0.00 O ATOM 0 HA GLU A 117 11.608 20.160 -20.513 1.00 0.00 H new ATOM 0 HB2 GLU A 117 10.974 21.943 -22.008 1.00 0.00 H new ATOM 0 HB3 GLU A 117 12.226 21.507 -23.154 1.00 0.00 H new ATOM 0 HG2 GLU A 117 11.121 19.475 -23.770 1.00 0.00 H new ATOM 0 HG3 GLU A 117 10.071 19.519 -22.368 1.00 0.00 H new ATOM 1786 N VAL A 118 12.364 18.028 -21.855 1.00 0.00 N ATOM 1787 CA VAL A 118 12.922 16.755 -22.294 1.00 0.00 C ATOM 1788 C VAL A 118 11.925 16.017 -23.190 1.00 0.00 C ATOM 1789 O VAL A 118 10.755 16.401 -23.272 1.00 0.00 O ATOM 1790 CB VAL A 118 13.349 15.904 -21.080 1.00 0.00 C ATOM 1791 CG1 VAL A 118 14.463 16.609 -20.300 1.00 0.00 C ATOM 1792 CG2 VAL A 118 12.192 15.576 -20.125 1.00 0.00 C ATOM 0 H VAL A 118 11.373 17.973 -21.621 1.00 0.00 H new ATOM 0 HA VAL A 118 13.817 16.945 -22.887 1.00 0.00 H new ATOM 0 HB VAL A 118 13.708 14.959 -21.488 1.00 0.00 H new ATOM 0 HG11 VAL A 118 14.753 15.996 -19.447 1.00 0.00 H new ATOM 0 HG12 VAL A 118 15.325 16.757 -20.950 1.00 0.00 H new ATOM 0 HG13 VAL A 118 14.104 17.576 -19.947 1.00 0.00 H new ATOM 0 HG21 VAL A 118 12.564 14.976 -19.295 1.00 0.00 H new ATOM 0 HG22 VAL A 118 11.764 16.502 -19.740 1.00 0.00 H new ATOM 0 HG23 VAL A 118 11.425 15.017 -20.661 1.00 0.00 H new ATOM 1802 N THR A 119 12.385 14.946 -23.834 1.00 0.00 N ATOM 1803 CA THR A 119 11.597 14.095 -24.725 1.00 0.00 C ATOM 1804 C THR A 119 11.996 12.631 -24.495 1.00 0.00 C ATOM 1805 O THR A 119 12.965 12.348 -23.785 1.00 0.00 O ATOM 1806 CB THR A 119 11.817 14.537 -26.190 1.00 0.00 C ATOM 1807 OG1 THR A 119 13.179 14.858 -26.438 1.00 0.00 O ATOM 1808 CG2 THR A 119 10.960 15.744 -26.573 1.00 0.00 C ATOM 0 H THR A 119 13.353 14.635 -23.747 1.00 0.00 H new ATOM 0 HA THR A 119 10.533 14.192 -24.512 1.00 0.00 H new ATOM 0 HB THR A 119 11.518 13.685 -26.801 1.00 0.00 H new ATOM 0 HG1 THR A 119 13.683 14.035 -26.609 1.00 0.00 H new ATOM 0 HG21 THR A 119 11.153 16.013 -27.612 1.00 0.00 H new ATOM 0 HG22 THR A 119 9.906 15.494 -26.453 1.00 0.00 H new ATOM 0 HG23 THR A 119 11.209 16.587 -25.928 1.00 0.00 H new ATOM 1816 N TRP A 120 11.268 11.687 -25.095 1.00 0.00 N ATOM 1817 CA TRP A 120 11.659 10.287 -25.124 1.00 0.00 C ATOM 1818 C TRP A 120 11.273 9.677 -26.461 1.00 0.00 C ATOM 1819 O TRP A 120 10.539 10.293 -27.242 1.00 0.00 O ATOM 1820 CB TRP A 120 11.017 9.490 -23.973 1.00 0.00 C ATOM 1821 CG TRP A 120 9.537 9.243 -24.039 1.00 0.00 C ATOM 1822 CD1 TRP A 120 8.571 10.178 -23.927 1.00 0.00 C ATOM 1823 CD2 TRP A 120 8.830 7.974 -24.199 1.00 0.00 C ATOM 1824 NE1 TRP A 120 7.328 9.582 -23.948 1.00 0.00 N ATOM 1825 CE2 TRP A 120 7.428 8.215 -24.089 1.00 0.00 C ATOM 1826 CE3 TRP A 120 9.233 6.637 -24.403 1.00 0.00 C ATOM 1827 CZ2 TRP A 120 6.480 7.180 -24.135 1.00 0.00 C ATOM 1828 CZ3 TRP A 120 8.294 5.587 -24.421 1.00 0.00 C ATOM 1829 CH2 TRP A 120 6.920 5.855 -24.288 1.00 0.00 C ATOM 0 H TRP A 120 10.388 11.879 -25.575 1.00 0.00 H new ATOM 0 HA TRP A 120 12.740 10.236 -24.994 1.00 0.00 H new ATOM 0 HB2 TRP A 120 11.517 8.523 -23.914 1.00 0.00 H new ATOM 0 HB3 TRP A 120 11.229 10.015 -23.042 1.00 0.00 H new ATOM 0 HD1 TRP A 120 8.746 11.240 -23.834 1.00 0.00 H new ATOM 0 HE1 TRP A 120 6.446 10.089 -23.869 1.00 0.00 H new ATOM 0 HE3 TRP A 120 10.280 6.415 -24.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 5.426 7.400 -24.054 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 8.632 4.568 -24.538 1.00 0.00 H new ATOM 0 HH2 TRP A 120 6.206 5.045 -24.303 1.00 0.00 H new ATOM 1840 N ALA A 121 11.739 8.455 -26.702 1.00 0.00 N ATOM 1841 CA ALA A 121 11.303 7.634 -27.811 1.00 0.00 C ATOM 1842 C ALA A 121 11.288 6.184 -27.338 1.00 0.00 C ATOM 1843 O ALA A 121 12.164 5.760 -26.578 1.00 0.00 O ATOM 1844 CB ALA A 121 12.241 7.814 -29.012 1.00 0.00 C ATOM 0 H ALA A 121 12.443 8.005 -26.117 1.00 0.00 H new ATOM 0 HA ALA A 121 10.305 7.928 -28.136 1.00 0.00 H new ATOM 0 HB1 ALA A 121 11.899 7.190 -29.837 1.00 0.00 H new ATOM 0 HB2 ALA A 121 12.239 8.859 -29.322 1.00 0.00 H new ATOM 0 HB3 ALA A 121 13.253 7.521 -28.731 1.00 0.00 H new