USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 832 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 HIS : no HD1:sc= 0.558 K(o=-2.4,f=-8) USER MOD Set 1.2: A 106 LYS NZ :NH3+ -169:sc= -2.93! (180deg=-4.63!) USER MOD Set 2.1: A 28 ASN : amide:sc= -3.36 K(o=-2.5,f=-4.6!) USER MOD Set 2.2: A 54 SER OG : rot 112:sc= 0.844 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 60:sc= -0.938 USER MOD Single : A 20 ASN : amide:sc= -0.244 K(o=-0.24,f=-1) USER MOD Single : A 25 THR OG1 : rot 1:sc= 0.945 USER MOD Single : A 26 THR OG1 : rot -112:sc= 1 USER MOD Single : A 27 ASN : amide:sc= -3.63! C(o=-3.6!,f=-2.9!) USER MOD Single : A 30 MET CE :methyl -142:sc= -0.284 (180deg=-1.62!) USER MOD Single : A 33 LYS NZ :NH3+ -178:sc= -0.236 (180deg=-0.255) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -130:sc= -0.176 USER MOD Single : A 56 TYR OH : rot 150:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -37:sc= -0.142 USER MOD Single : A 71 LYS NZ :NH3+ 168:sc=-0.00148 (180deg=-0.175) USER MOD Single : A 76 THR OG1 : rot 124:sc= -3.46! USER MOD Single : A 80 LYS NZ :NH3+ -162:sc= -0.597 (180deg=-1.23) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -9.44! C(o=-9.4!,f=-3.6!) USER MOD Single : A 95 MET CE :methyl 176:sc= -1.09 (180deg=-1.16) USER MOD Single : A 98 HIS : no HD1:sc= -0.213 K(o=-0.21,f=-5.2!) USER MOD Single : A 103 HIS : no HD1:sc= -2.05 K(o=-2,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 59 N PRO A 5 -16.362 -8.061 -13.060 1.00 0.00 N ATOM 60 CA PRO A 5 -15.897 -8.371 -11.680 1.00 0.00 C ATOM 61 C PRO A 5 -16.741 -7.649 -10.639 1.00 0.00 C ATOM 62 O PRO A 5 -17.532 -8.261 -9.929 1.00 0.00 O ATOM 63 CB PRO A 5 -14.449 -7.865 -11.665 1.00 0.00 C ATOM 64 CG PRO A 5 -13.994 -7.961 -13.088 1.00 0.00 C ATOM 65 CD PRO A 5 -15.236 -7.725 -13.956 1.00 0.00 C ATOM 0 HA PRO A 5 -15.978 -9.430 -11.436 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -14.392 -6.839 -11.300 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -13.825 -8.472 -11.009 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -13.225 -7.219 -13.301 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -13.558 -8.939 -13.291 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -15.293 -6.692 -14.300 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -15.229 -8.357 -14.844 1.00 0.00 H new ATOM 73 N ARG A 6 -16.557 -6.339 -10.591 1.00 0.00 N ATOM 74 CA ARG A 6 -17.267 -5.468 -9.686 1.00 0.00 C ATOM 75 C ARG A 6 -17.249 -4.068 -10.282 1.00 0.00 C ATOM 76 O ARG A 6 -18.276 -3.550 -10.721 1.00 0.00 O ATOM 77 CB ARG A 6 -16.585 -5.493 -8.296 1.00 0.00 C ATOM 78 CG ARG A 6 -17.338 -6.445 -7.347 1.00 0.00 C ATOM 79 CD ARG A 6 -16.394 -6.993 -6.276 1.00 0.00 C ATOM 80 NE ARG A 6 -15.505 -7.994 -6.856 1.00 0.00 N ATOM 81 CZ ARG A 6 -14.716 -8.737 -6.091 1.00 0.00 C ATOM 82 NH1 ARG A 6 -14.744 -8.594 -4.793 1.00 0.00 N ATOM 83 NH2 ARG A 6 -13.918 -9.615 -6.637 1.00 0.00 N ATOM 0 H ARG A 6 -15.896 -5.849 -11.194 1.00 0.00 H new ATOM 0 HA ARG A 6 -18.298 -5.796 -9.554 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -15.549 -5.815 -8.398 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -16.567 -4.488 -7.874 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -18.166 -5.917 -6.874 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -17.769 -7.269 -7.916 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -15.808 -6.180 -5.846 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -16.971 -7.435 -5.463 1.00 0.00 H new ATOM 0 HE ARG A 6 -15.490 -8.125 -7.867 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -15.372 -7.912 -4.369 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -14.138 -9.165 -4.204 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -13.902 -9.729 -7.651 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -13.311 -10.187 -6.050 1.00 0.00 H new ATOM 97 N LYS A 7 -16.060 -3.484 -10.329 1.00 0.00 N ATOM 98 CA LYS A 7 -15.881 -2.174 -10.911 1.00 0.00 C ATOM 99 C LYS A 7 -14.388 -1.851 -10.997 1.00 0.00 C ATOM 100 O LYS A 7 -13.767 -1.504 -10.002 1.00 0.00 O ATOM 101 CB LYS A 7 -16.605 -1.109 -10.061 1.00 0.00 C ATOM 102 CG LYS A 7 -17.259 -0.035 -10.970 1.00 0.00 C ATOM 103 CD LYS A 7 -17.271 1.362 -10.277 1.00 0.00 C ATOM 104 CE LYS A 7 -16.303 2.315 -10.996 1.00 0.00 C ATOM 105 NZ LYS A 7 -16.213 3.600 -10.245 1.00 0.00 N ATOM 0 H LYS A 7 -15.204 -3.905 -9.967 1.00 0.00 H new ATOM 0 HA LYS A 7 -16.309 -2.168 -11.914 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -17.368 -1.585 -9.445 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -15.896 -0.635 -9.382 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -16.714 0.028 -11.912 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -18.279 -0.332 -11.212 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -18.279 1.776 -10.292 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -16.984 1.260 -9.230 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -15.317 1.857 -11.073 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -16.648 2.500 -12.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -15.557 4.243 -10.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -17.154 4.039 -10.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -15.864 3.416 -9.283 1.00 0.00 H new ATOM 119 N ARG A 8 -13.817 -1.978 -12.180 1.00 0.00 N ATOM 120 CA ARG A 8 -12.401 -1.700 -12.365 1.00 0.00 C ATOM 121 C ARG A 8 -12.133 -0.200 -12.410 1.00 0.00 C ATOM 122 O ARG A 8 -12.683 0.512 -13.251 1.00 0.00 O ATOM 123 CB ARG A 8 -11.878 -2.360 -13.650 1.00 0.00 C ATOM 124 CG ARG A 8 -10.370 -2.120 -13.783 1.00 0.00 C ATOM 125 CD ARG A 8 -9.821 -2.955 -14.940 1.00 0.00 C ATOM 126 NE ARG A 8 -9.924 -4.374 -14.620 1.00 0.00 N ATOM 127 CZ ARG A 8 -9.585 -5.308 -15.502 1.00 0.00 C ATOM 128 NH1 ARG A 8 -9.137 -4.962 -16.678 1.00 0.00 N ATOM 129 NH2 ARG A 8 -9.698 -6.569 -15.191 1.00 0.00 N ATOM 0 H ARG A 8 -14.307 -2.270 -13.025 1.00 0.00 H new ATOM 0 HA ARG A 8 -11.872 -2.121 -11.510 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -12.084 -3.430 -13.630 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -12.398 -1.952 -14.517 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.173 -1.062 -13.958 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.865 -2.388 -12.855 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.376 -2.738 -15.852 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -8.781 -2.690 -15.129 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.263 -4.655 -13.700 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -9.047 -3.975 -16.919 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -8.877 -5.679 -17.356 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -10.047 -6.838 -14.271 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -9.438 -7.286 -15.868 1.00 0.00 H new ATOM 143 N VAL A 9 -11.278 0.277 -11.498 1.00 0.00 N ATOM 144 CA VAL A 9 -10.936 1.711 -11.448 1.00 0.00 C ATOM 145 C VAL A 9 -9.505 1.940 -11.914 1.00 0.00 C ATOM 146 O VAL A 9 -8.576 1.273 -11.458 1.00 0.00 O ATOM 147 CB VAL A 9 -11.043 2.255 -10.014 1.00 0.00 C ATOM 148 CG1 VAL A 9 -11.228 3.780 -10.010 1.00 0.00 C ATOM 149 CG2 VAL A 9 -12.218 1.598 -9.289 1.00 0.00 C ATOM 0 H VAL A 9 -10.814 -0.295 -10.793 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.640 2.227 -12.101 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.113 2.018 -9.497 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -11.300 4.135 -8.982 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.375 4.251 -10.497 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.140 4.037 -10.548 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -12.285 1.990 -8.274 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -13.143 1.815 -9.824 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -12.065 0.519 -9.252 1.00 0.00 H new ATOM 159 N ALA A 10 -9.335 2.907 -12.792 1.00 0.00 N ATOM 160 CA ALA A 10 -8.011 3.257 -13.286 1.00 0.00 C ATOM 161 C ALA A 10 -7.445 4.385 -12.424 1.00 0.00 C ATOM 162 O ALA A 10 -7.576 5.559 -12.771 1.00 0.00 O ATOM 163 CB ALA A 10 -8.101 3.723 -14.741 1.00 0.00 C ATOM 0 H ALA A 10 -10.094 3.467 -13.181 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.360 2.384 -13.234 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.106 3.983 -15.102 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.512 2.922 -15.355 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.749 4.597 -14.804 1.00 0.00 H new ATOM 169 N LEU A 11 -6.845 4.035 -11.280 1.00 0.00 N ATOM 170 CA LEU A 11 -6.303 5.058 -10.369 1.00 0.00 C ATOM 171 C LEU A 11 -4.794 5.237 -10.583 1.00 0.00 C ATOM 172 O LEU A 11 -4.015 4.313 -10.365 1.00 0.00 O ATOM 173 CB LEU A 11 -6.580 4.622 -8.917 1.00 0.00 C ATOM 174 CG LEU A 11 -6.646 5.852 -7.977 1.00 0.00 C ATOM 175 CD1 LEU A 11 -6.836 5.425 -6.502 1.00 0.00 C ATOM 176 CD2 LEU A 11 -5.353 6.663 -8.100 1.00 0.00 C ATOM 0 H LEU A 11 -6.722 3.073 -10.965 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.787 6.013 -10.574 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.520 4.072 -8.871 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.797 3.943 -8.581 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.502 6.457 -8.275 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.878 6.311 -5.869 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.765 4.863 -6.403 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.999 4.799 -6.194 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.401 7.528 -7.438 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.504 6.039 -7.820 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.232 7.000 -9.129 1.00 0.00 H new ATOM 188 N PHE A 12 -4.386 6.436 -11.014 1.00 0.00 N ATOM 189 CA PHE A 12 -2.973 6.721 -11.254 1.00 0.00 C ATOM 190 C PHE A 12 -2.372 7.434 -10.051 1.00 0.00 C ATOM 191 O PHE A 12 -2.628 8.618 -9.827 1.00 0.00 O ATOM 192 CB PHE A 12 -2.818 7.621 -12.488 1.00 0.00 C ATOM 193 CG PHE A 12 -3.843 7.230 -13.528 1.00 0.00 C ATOM 194 CD1 PHE A 12 -3.545 6.248 -14.481 1.00 0.00 C ATOM 195 CD2 PHE A 12 -5.098 7.850 -13.532 1.00 0.00 C ATOM 196 CE1 PHE A 12 -4.502 5.889 -15.438 1.00 0.00 C ATOM 197 CE2 PHE A 12 -6.054 7.492 -14.490 1.00 0.00 C ATOM 198 CZ PHE A 12 -5.757 6.510 -15.442 1.00 0.00 C ATOM 0 H PHE A 12 -5.013 7.218 -11.202 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.455 5.776 -11.420 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.949 8.666 -12.208 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.813 7.524 -12.898 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.578 5.768 -14.478 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.329 8.605 -12.795 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.272 5.133 -16.174 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -7.021 7.974 -14.494 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.495 6.231 -16.179 1.00 0.00 H new ATOM 208 N THR A 13 -1.560 6.720 -9.298 1.00 0.00 N ATOM 209 CA THR A 13 -0.914 7.314 -8.137 1.00 0.00 C ATOM 210 C THR A 13 0.075 8.369 -8.627 1.00 0.00 C ATOM 211 O THR A 13 1.268 8.104 -8.782 1.00 0.00 O ATOM 212 CB THR A 13 -0.196 6.217 -7.308 1.00 0.00 C ATOM 213 OG1 THR A 13 -0.240 4.995 -8.027 1.00 0.00 O ATOM 214 CG2 THR A 13 -0.887 6.025 -5.950 1.00 0.00 C ATOM 0 H THR A 13 -1.331 5.740 -9.463 1.00 0.00 H new ATOM 0 HA THR A 13 -1.653 7.785 -7.489 1.00 0.00 H new ATOM 0 HB THR A 13 0.836 6.522 -7.136 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.209 5.107 -8.891 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.368 5.251 -5.384 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.861 6.961 -5.393 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.923 5.726 -6.108 1.00 0.00 H new ATOM 222 N ASP A 14 -0.446 9.566 -8.891 1.00 0.00 N ATOM 223 CA ASP A 14 0.368 10.673 -9.392 1.00 0.00 C ATOM 224 C ASP A 14 0.461 11.784 -8.350 1.00 0.00 C ATOM 225 O ASP A 14 0.160 12.941 -8.643 1.00 0.00 O ATOM 226 CB ASP A 14 -0.266 11.217 -10.678 1.00 0.00 C ATOM 227 CG ASP A 14 -1.572 11.939 -10.356 1.00 0.00 C ATOM 228 OD1 ASP A 14 -2.221 11.550 -9.399 1.00 0.00 O ATOM 229 OD2 ASP A 14 -1.902 12.871 -11.071 1.00 0.00 O ATOM 0 H ASP A 14 -1.432 9.795 -8.766 1.00 0.00 H new ATOM 0 HA ASP A 14 1.375 10.312 -9.599 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.424 11.901 -11.172 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -0.456 10.399 -11.373 1.00 0.00 H new ATOM 234 N GLY A 15 0.866 11.415 -7.132 1.00 0.00 N ATOM 235 CA GLY A 15 0.989 12.374 -6.030 1.00 0.00 C ATOM 236 C GLY A 15 1.413 13.756 -6.524 1.00 0.00 C ATOM 237 O GLY A 15 0.582 14.545 -6.973 1.00 0.00 O ATOM 0 H GLY A 15 1.115 10.458 -6.883 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.035 12.452 -5.508 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.719 12.007 -5.308 1.00 0.00 H new ATOM 241 N ALA A 16 2.712 14.035 -6.446 1.00 0.00 N ATOM 242 CA ALA A 16 3.240 15.320 -6.897 1.00 0.00 C ATOM 243 C ALA A 16 4.763 15.329 -6.816 1.00 0.00 C ATOM 244 O ALA A 16 5.443 15.607 -7.802 1.00 0.00 O ATOM 245 CB ALA A 16 2.682 16.462 -6.041 1.00 0.00 C ATOM 0 H ALA A 16 3.414 13.393 -6.077 1.00 0.00 H new ATOM 0 HA ALA A 16 2.933 15.465 -7.933 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.087 17.411 -6.392 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.595 16.479 -6.121 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.967 16.309 -5.000 1.00 0.00 H new ATOM 251 N ALA A 17 5.285 15.023 -5.630 1.00 0.00 N ATOM 252 CA ALA A 17 6.731 14.998 -5.410 1.00 0.00 C ATOM 253 C ALA A 17 7.276 16.416 -5.254 1.00 0.00 C ATOM 254 O ALA A 17 7.743 17.025 -6.216 1.00 0.00 O ATOM 255 CB ALA A 17 7.434 14.286 -6.572 1.00 0.00 C ATOM 0 H ALA A 17 4.730 14.789 -4.807 1.00 0.00 H new ATOM 0 HA ALA A 17 6.929 14.448 -4.490 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.509 14.275 -6.395 1.00 0.00 H new ATOM 0 HB2 ALA A 17 7.068 13.262 -6.646 1.00 0.00 H new ATOM 0 HB3 ALA A 17 7.225 14.814 -7.502 1.00 0.00 H new ATOM 261 N LEU A 18 7.205 16.926 -4.030 1.00 0.00 N ATOM 262 CA LEU A 18 7.678 18.271 -3.724 1.00 0.00 C ATOM 263 C LEU A 18 7.517 18.563 -2.242 1.00 0.00 C ATOM 264 O LEU A 18 7.561 19.718 -1.817 1.00 0.00 O ATOM 265 CB LEU A 18 6.887 19.309 -4.537 1.00 0.00 C ATOM 266 CG LEU A 18 5.355 19.146 -4.300 1.00 0.00 C ATOM 267 CD1 LEU A 18 4.852 20.102 -3.202 1.00 0.00 C ATOM 268 CD2 LEU A 18 4.594 19.463 -5.591 1.00 0.00 C ATOM 0 H LEU A 18 6.822 16.425 -3.229 1.00 0.00 H new ATOM 0 HA LEU A 18 8.734 18.332 -3.989 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.199 20.314 -4.253 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.110 19.194 -5.598 1.00 0.00 H new ATOM 0 HG LEU A 18 5.179 18.116 -3.989 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.780 19.963 -3.062 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.371 19.888 -2.268 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.048 21.132 -3.499 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.524 19.348 -5.420 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.804 20.488 -5.895 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.912 18.779 -6.378 1.00 0.00 H new ATOM 280 N GLY A 19 7.308 17.515 -1.461 1.00 0.00 N ATOM 281 CA GLY A 19 7.106 17.677 -0.037 1.00 0.00 C ATOM 282 C GLY A 19 8.220 18.510 0.559 1.00 0.00 C ATOM 283 O GLY A 19 9.324 18.563 0.017 1.00 0.00 O ATOM 0 H GLY A 19 7.275 16.550 -1.790 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.145 18.156 0.149 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.074 16.701 0.446 1.00 0.00 H new ATOM 287 N ASN A 20 7.936 19.142 1.692 1.00 0.00 N ATOM 288 CA ASN A 20 8.950 19.950 2.369 1.00 0.00 C ATOM 289 C ASN A 20 10.287 19.192 2.357 1.00 0.00 C ATOM 290 O ASN A 20 11.313 19.749 1.965 1.00 0.00 O ATOM 291 CB ASN A 20 8.496 20.286 3.816 1.00 0.00 C ATOM 292 CG ASN A 20 8.470 21.797 4.053 1.00 0.00 C ATOM 293 OD1 ASN A 20 9.276 22.532 3.483 1.00 0.00 O ATOM 294 ND2 ASN A 20 7.588 22.302 4.872 1.00 0.00 N ATOM 0 H ASN A 20 7.029 19.114 2.157 1.00 0.00 H new ATOM 0 HA ASN A 20 9.082 20.896 1.843 1.00 0.00 H new ATOM 0 HB2 ASN A 20 7.504 19.871 3.994 1.00 0.00 H new ATOM 0 HB3 ASN A 20 9.172 19.815 4.530 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.566 23.308 5.041 1.00 0.00 H new ATOM 0 HD22 ASN A 20 6.921 21.691 5.343 1.00 0.00 H new ATOM 301 N PRO A 21 10.286 17.924 2.718 1.00 0.00 N ATOM 302 CA PRO A 21 11.515 17.079 2.682 1.00 0.00 C ATOM 303 C PRO A 21 12.018 16.977 1.253 1.00 0.00 C ATOM 304 O PRO A 21 13.193 17.204 0.960 1.00 0.00 O ATOM 305 CB PRO A 21 11.028 15.705 3.189 1.00 0.00 C ATOM 306 CG PRO A 21 9.797 16.010 3.961 1.00 0.00 C ATOM 307 CD PRO A 21 9.136 17.146 3.197 1.00 0.00 C ATOM 0 HA PRO A 21 12.336 17.476 3.280 1.00 0.00 H new ATOM 0 HB2 PRO A 21 10.820 15.027 2.361 1.00 0.00 H new ATOM 0 HB3 PRO A 21 11.780 15.223 3.814 1.00 0.00 H new ATOM 0 HG2 PRO A 21 9.143 15.141 4.023 1.00 0.00 H new ATOM 0 HG3 PRO A 21 10.033 16.305 4.983 1.00 0.00 H new ATOM 0 HD2 PRO A 21 8.524 16.778 2.373 1.00 0.00 H new ATOM 0 HD3 PRO A 21 8.484 17.740 3.838 1.00 0.00 H new ATOM 315 N GLY A 22 11.084 16.617 0.372 1.00 0.00 N ATOM 316 CA GLY A 22 11.363 16.456 -1.043 1.00 0.00 C ATOM 317 C GLY A 22 10.907 15.071 -1.523 1.00 0.00 C ATOM 318 O GLY A 22 10.510 14.229 -0.716 1.00 0.00 O ATOM 0 H GLY A 22 10.114 16.430 0.626 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.851 17.232 -1.612 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.431 16.578 -1.226 1.00 0.00 H new ATOM 322 N PRO A 23 10.989 14.808 -2.807 1.00 0.00 N ATOM 323 CA PRO A 23 10.613 13.481 -3.402 1.00 0.00 C ATOM 324 C PRO A 23 11.350 12.318 -2.743 1.00 0.00 C ATOM 325 O PRO A 23 11.033 11.152 -2.976 1.00 0.00 O ATOM 326 CB PRO A 23 11.071 13.623 -4.854 1.00 0.00 C ATOM 327 CG PRO A 23 10.995 15.070 -5.143 1.00 0.00 C ATOM 328 CD PRO A 23 11.437 15.747 -3.854 1.00 0.00 C ATOM 0 HA PRO A 23 9.553 13.261 -3.277 1.00 0.00 H new ATOM 0 HB2 PRO A 23 12.086 13.248 -4.986 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.431 13.053 -5.527 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.644 15.342 -5.975 1.00 0.00 H new ATOM 0 HG3 PRO A 23 9.983 15.366 -5.418 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.517 15.895 -3.827 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.978 16.729 -3.737 1.00 0.00 H new ATOM 336 N GLY A 24 12.365 12.672 -1.977 1.00 0.00 N ATOM 337 CA GLY A 24 13.227 11.706 -1.293 1.00 0.00 C ATOM 338 C GLY A 24 12.479 10.460 -0.799 1.00 0.00 C ATOM 339 O GLY A 24 13.110 9.452 -0.503 1.00 0.00 O ATOM 0 H GLY A 24 12.623 13.644 -1.806 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.023 11.397 -1.971 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.704 12.194 -0.443 1.00 0.00 H new ATOM 343 N THR A 25 11.148 10.536 -0.752 1.00 0.00 N ATOM 344 CA THR A 25 10.293 9.414 -0.336 1.00 0.00 C ATOM 345 C THR A 25 8.893 9.902 0.041 1.00 0.00 C ATOM 346 O THR A 25 8.022 9.097 0.374 1.00 0.00 O ATOM 347 CB THR A 25 10.879 8.657 0.863 1.00 0.00 C ATOM 348 OG1 THR A 25 9.886 7.781 1.379 1.00 0.00 O ATOM 349 CG2 THR A 25 11.319 9.626 1.983 1.00 0.00 C ATOM 0 H THR A 25 10.628 11.377 -1.001 1.00 0.00 H new ATOM 0 HA THR A 25 10.238 8.739 -1.190 1.00 0.00 H new ATOM 0 HB THR A 25 11.755 8.102 0.526 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.071 7.856 0.840 1.00 0.00 H new ATOM 0 HG21 THR A 25 11.729 9.056 2.817 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.080 10.305 1.598 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.459 10.201 2.325 1.00 0.00 H new ATOM 357 N THR A 26 8.673 11.210 -0.015 1.00 0.00 N ATOM 358 CA THR A 26 7.382 11.765 0.315 1.00 0.00 C ATOM 359 C THR A 26 6.383 11.480 -0.785 1.00 0.00 C ATOM 360 O THR A 26 5.215 11.251 -0.525 1.00 0.00 O ATOM 361 CB THR A 26 7.496 13.265 0.537 1.00 0.00 C ATOM 362 OG1 THR A 26 8.165 13.856 -0.569 1.00 0.00 O ATOM 363 CG2 THR A 26 8.282 13.529 1.819 1.00 0.00 C ATOM 0 H THR A 26 9.375 11.898 -0.286 1.00 0.00 H new ATOM 0 HA THR A 26 7.031 11.296 1.234 1.00 0.00 H new ATOM 0 HB THR A 26 6.501 13.700 0.629 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.040 14.190 -0.281 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.365 14.604 1.980 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.764 13.074 2.663 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.279 13.097 1.730 1.00 0.00 H new ATOM 371 N ASN A 27 6.862 11.486 -2.010 1.00 0.00 N ATOM 372 CA ASN A 27 6.012 11.218 -3.153 1.00 0.00 C ATOM 373 C ASN A 27 5.403 9.840 -3.012 1.00 0.00 C ATOM 374 O ASN A 27 4.213 9.637 -3.240 1.00 0.00 O ATOM 375 CB ASN A 27 6.840 11.260 -4.430 1.00 0.00 C ATOM 376 CG ASN A 27 5.931 11.189 -5.653 1.00 0.00 C ATOM 377 OD1 ASN A 27 6.415 11.188 -6.786 1.00 0.00 O ATOM 378 ND2 ASN A 27 4.638 11.119 -5.493 1.00 0.00 N ATOM 0 H ASN A 27 7.837 11.674 -2.242 1.00 0.00 H new ATOM 0 HA ASN A 27 5.226 11.972 -3.199 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.429 12.176 -4.459 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.544 10.428 -4.443 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.026 11.063 -6.307 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.240 11.120 -4.554 1.00 0.00 H new ATOM 385 N ASN A 28 6.241 8.906 -2.616 1.00 0.00 N ATOM 386 CA ASN A 28 5.807 7.533 -2.418 1.00 0.00 C ATOM 387 C ASN A 28 4.771 7.496 -1.301 1.00 0.00 C ATOM 388 O ASN A 28 3.741 6.831 -1.405 1.00 0.00 O ATOM 389 CB ASN A 28 7.008 6.666 -2.046 1.00 0.00 C ATOM 390 CG ASN A 28 8.108 6.824 -3.095 1.00 0.00 C ATOM 391 OD1 ASN A 28 8.232 6.002 -3.999 1.00 0.00 O ATOM 392 ND2 ASN A 28 8.917 7.844 -3.033 1.00 0.00 N ATOM 0 H ASN A 28 7.229 9.069 -2.424 1.00 0.00 H new ATOM 0 HA ASN A 28 5.364 7.148 -3.336 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.385 6.954 -1.065 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.706 5.621 -1.978 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.650 7.957 -3.734 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.817 8.529 -2.284 1.00 0.00 H new ATOM 399 N ARG A 29 5.052 8.258 -0.249 1.00 0.00 N ATOM 400 CA ARG A 29 4.169 8.375 0.880 1.00 0.00 C ATOM 401 C ARG A 29 2.893 9.085 0.459 1.00 0.00 C ATOM 402 O ARG A 29 1.797 8.718 0.871 1.00 0.00 O ATOM 403 CB ARG A 29 4.896 9.167 1.952 1.00 0.00 C ATOM 404 CG ARG A 29 4.044 9.295 3.187 1.00 0.00 C ATOM 405 CD ARG A 29 4.805 10.114 4.228 1.00 0.00 C ATOM 406 NE ARG A 29 3.949 10.370 5.368 1.00 0.00 N ATOM 407 CZ ARG A 29 4.420 10.924 6.483 1.00 0.00 C ATOM 408 NH1 ARG A 29 5.685 11.239 6.573 1.00 0.00 N ATOM 409 NH2 ARG A 29 3.618 11.155 7.484 1.00 0.00 N ATOM 0 H ARG A 29 5.906 8.810 -0.166 1.00 0.00 H new ATOM 0 HA ARG A 29 3.895 7.393 1.265 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.836 8.674 2.202 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.147 10.158 1.573 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.098 9.779 2.944 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.805 8.309 3.584 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.699 9.577 4.545 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.138 11.056 3.792 1.00 0.00 H new ATOM 0 HE ARG A 29 2.962 10.120 5.315 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.312 11.060 5.789 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.045 11.663 7.428 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.630 10.911 7.413 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.978 11.579 8.339 1.00 0.00 H new ATOM 423 N MET A 30 3.048 10.106 -0.376 1.00 0.00 N ATOM 424 CA MET A 30 1.911 10.860 -0.860 1.00 0.00 C ATOM 425 C MET A 30 1.053 9.976 -1.742 1.00 0.00 C ATOM 426 O MET A 30 -0.173 9.972 -1.633 1.00 0.00 O ATOM 427 CB MET A 30 2.430 12.067 -1.629 1.00 0.00 C ATOM 428 CG MET A 30 3.117 13.035 -0.648 1.00 0.00 C ATOM 429 SD MET A 30 1.954 14.329 -0.133 1.00 0.00 S ATOM 430 CE MET A 30 1.702 15.114 -1.745 1.00 0.00 C ATOM 0 H MET A 30 3.950 10.426 -0.728 1.00 0.00 H new ATOM 0 HA MET A 30 1.294 11.203 -0.030 1.00 0.00 H new ATOM 0 HB2 MET A 30 3.134 11.748 -2.397 1.00 0.00 H new ATOM 0 HB3 MET A 30 1.608 12.569 -2.139 1.00 0.00 H new ATOM 0 HG2 MET A 30 3.475 12.488 0.224 1.00 0.00 H new ATOM 0 HG3 MET A 30 3.989 13.486 -1.121 1.00 0.00 H new ATOM 0 HE1 MET A 30 1.628 16.194 -1.616 1.00 0.00 H new ATOM 0 HE2 MET A 30 2.544 14.883 -2.398 1.00 0.00 H new ATOM 0 HE3 MET A 30 0.782 14.738 -2.193 1.00 0.00 H new ATOM 440 N GLU A 31 1.707 9.183 -2.583 1.00 0.00 N ATOM 441 CA GLU A 31 0.982 8.258 -3.428 1.00 0.00 C ATOM 442 C GLU A 31 0.341 7.216 -2.532 1.00 0.00 C ATOM 443 O GLU A 31 -0.773 6.758 -2.783 1.00 0.00 O ATOM 444 CB GLU A 31 1.920 7.590 -4.435 1.00 0.00 C ATOM 445 CG GLU A 31 2.320 8.606 -5.507 1.00 0.00 C ATOM 446 CD GLU A 31 3.334 7.989 -6.463 1.00 0.00 C ATOM 447 OE1 GLU A 31 3.647 6.821 -6.293 1.00 0.00 O ATOM 448 OE2 GLU A 31 3.783 8.691 -7.354 1.00 0.00 O ATOM 0 H GLU A 31 2.721 9.165 -2.693 1.00 0.00 H new ATOM 0 HA GLU A 31 0.221 8.792 -3.997 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.807 7.212 -3.927 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.427 6.734 -4.895 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.438 8.929 -6.060 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.745 9.493 -5.037 1.00 0.00 H new ATOM 455 N LEU A 32 1.049 6.875 -1.457 1.00 0.00 N ATOM 456 CA LEU A 32 0.545 5.929 -0.496 1.00 0.00 C ATOM 457 C LEU A 32 -0.635 6.562 0.242 1.00 0.00 C ATOM 458 O LEU A 32 -1.643 5.909 0.504 1.00 0.00 O ATOM 459 CB LEU A 32 1.658 5.561 0.497 1.00 0.00 C ATOM 460 CG LEU A 32 1.218 4.373 1.370 1.00 0.00 C ATOM 461 CD1 LEU A 32 1.477 3.047 0.645 1.00 0.00 C ATOM 462 CD2 LEU A 32 1.989 4.354 2.702 1.00 0.00 C ATOM 0 H LEU A 32 1.974 7.247 -1.240 1.00 0.00 H new ATOM 0 HA LEU A 32 0.214 5.021 -1.000 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.569 5.306 -0.044 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.891 6.419 1.128 1.00 0.00 H new ATOM 0 HG LEU A 32 0.152 4.490 1.565 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.160 2.218 1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.915 3.027 -0.289 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.541 2.952 0.430 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.660 3.505 3.301 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.057 4.265 2.503 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.797 5.278 3.247 1.00 0.00 H new ATOM 474 N LYS A 33 -0.490 7.855 0.558 1.00 0.00 N ATOM 475 CA LYS A 33 -1.531 8.613 1.255 1.00 0.00 C ATOM 476 C LYS A 33 -2.792 8.693 0.391 1.00 0.00 C ATOM 477 O LYS A 33 -3.914 8.497 0.867 1.00 0.00 O ATOM 478 CB LYS A 33 -1.004 10.027 1.549 1.00 0.00 C ATOM 479 CG LYS A 33 -1.767 10.673 2.719 1.00 0.00 C ATOM 480 CD LYS A 33 -3.236 10.960 2.331 1.00 0.00 C ATOM 481 CE LYS A 33 -3.724 12.227 3.051 1.00 0.00 C ATOM 482 NZ LYS A 33 -5.184 12.409 2.819 1.00 0.00 N ATOM 0 H LYS A 33 0.345 8.399 0.339 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.784 8.113 2.190 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.059 9.980 1.786 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.105 10.648 0.659 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.738 10.012 3.586 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.276 11.602 3.010 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.319 11.089 1.252 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.866 10.112 2.600 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.523 12.149 4.120 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.177 13.097 2.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.502 13.285 3.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.368 12.468 1.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.702 11.600 3.218 1.00 0.00 H new ATOM 496 N ALA A 34 -2.590 8.973 -0.890 1.00 0.00 N ATOM 497 CA ALA A 34 -3.701 9.063 -1.828 1.00 0.00 C ATOM 498 C ALA A 34 -4.356 7.697 -1.991 1.00 0.00 C ATOM 499 O ALA A 34 -5.551 7.594 -2.269 1.00 0.00 O ATOM 500 CB ALA A 34 -3.200 9.559 -3.187 1.00 0.00 C ATOM 0 H ALA A 34 -1.672 9.141 -1.302 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.435 9.768 -1.438 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.037 9.623 -3.882 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.748 10.544 -3.071 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.457 8.863 -3.577 1.00 0.00 H new ATOM 506 N ALA A 35 -3.553 6.651 -1.818 1.00 0.00 N ATOM 507 CA ALA A 35 -4.040 5.285 -1.946 1.00 0.00 C ATOM 508 C ALA A 35 -5.003 4.951 -0.816 1.00 0.00 C ATOM 509 O ALA A 35 -6.153 4.589 -1.063 1.00 0.00 O ATOM 510 CB ALA A 35 -2.863 4.309 -1.917 1.00 0.00 C ATOM 0 H ALA A 35 -2.562 6.725 -1.589 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.567 5.195 -2.896 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.234 3.289 -2.013 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.188 4.529 -2.744 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.327 4.413 -0.973 1.00 0.00 H new ATOM 516 N ILE A 36 -4.538 5.088 0.428 1.00 0.00 N ATOM 517 CA ILE A 36 -5.395 4.797 1.571 1.00 0.00 C ATOM 518 C ILE A 36 -6.701 5.556 1.414 1.00 0.00 C ATOM 519 O ILE A 36 -7.772 5.026 1.708 1.00 0.00 O ATOM 520 CB ILE A 36 -4.670 5.163 2.892 1.00 0.00 C ATOM 521 CG1 ILE A 36 -5.624 5.098 4.110 1.00 0.00 C ATOM 522 CG2 ILE A 36 -4.004 6.527 2.796 1.00 0.00 C ATOM 523 CD1 ILE A 36 -6.641 6.259 4.149 1.00 0.00 C ATOM 0 H ILE A 36 -3.593 5.392 0.663 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.618 3.731 1.611 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.891 4.416 3.047 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.164 4.151 4.090 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.034 5.110 5.026 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.504 6.755 3.738 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.271 6.518 1.989 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.759 7.287 2.592 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.279 6.154 5.026 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.108 7.208 4.199 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.255 6.235 3.249 1.00 0.00 H new ATOM 535 N GLU A 37 -6.612 6.777 0.902 1.00 0.00 N ATOM 536 CA GLU A 37 -7.805 7.577 0.662 1.00 0.00 C ATOM 537 C GLU A 37 -8.568 7.037 -0.540 1.00 0.00 C ATOM 538 O GLU A 37 -9.799 7.041 -0.562 1.00 0.00 O ATOM 539 CB GLU A 37 -7.428 9.036 0.417 1.00 0.00 C ATOM 540 CG GLU A 37 -6.931 9.678 1.713 1.00 0.00 C ATOM 541 CD GLU A 37 -8.069 9.773 2.725 1.00 0.00 C ATOM 542 OE1 GLU A 37 -9.213 9.738 2.301 1.00 0.00 O ATOM 543 OE2 GLU A 37 -7.783 9.866 3.907 1.00 0.00 O ATOM 0 H GLU A 37 -5.735 7.231 0.647 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.441 7.519 1.545 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.653 9.096 -0.347 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.291 9.584 0.039 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.113 9.089 2.129 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.535 10.672 1.506 1.00 0.00 H new ATOM 550 N GLY A 38 -7.824 6.590 -1.549 1.00 0.00 N ATOM 551 CA GLY A 38 -8.437 6.072 -2.769 1.00 0.00 C ATOM 552 C GLY A 38 -9.067 4.695 -2.560 1.00 0.00 C ATOM 553 O GLY A 38 -9.683 4.150 -3.475 1.00 0.00 O ATOM 0 H GLY A 38 -6.804 6.576 -1.547 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.200 6.770 -3.115 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.683 6.009 -3.554 1.00 0.00 H new ATOM 557 N LEU A 39 -8.908 4.130 -1.365 1.00 0.00 N ATOM 558 CA LEU A 39 -9.471 2.815 -1.059 1.00 0.00 C ATOM 559 C LEU A 39 -10.383 2.916 0.160 1.00 0.00 C ATOM 560 O LEU A 39 -11.198 2.031 0.422 1.00 0.00 O ATOM 561 CB LEU A 39 -8.343 1.811 -0.760 1.00 0.00 C ATOM 562 CG LEU A 39 -7.212 1.869 -1.839 1.00 0.00 C ATOM 563 CD1 LEU A 39 -5.827 1.756 -1.184 1.00 0.00 C ATOM 564 CD2 LEU A 39 -7.354 0.703 -2.834 1.00 0.00 C ATOM 0 H LEU A 39 -8.396 4.560 -0.595 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.043 2.471 -1.921 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.920 2.022 0.222 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.755 0.803 -0.719 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.307 2.824 -2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.056 1.799 -1.953 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.687 2.580 -0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.754 0.809 -0.649 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.559 0.760 -3.577 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.283 -0.243 -2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.321 0.766 -3.332 1.00 0.00 H new ATOM 576 N LYS A 40 -10.228 4.008 0.903 1.00 0.00 N ATOM 577 CA LYS A 40 -11.015 4.258 2.101 1.00 0.00 C ATOM 578 C LYS A 40 -12.152 5.219 1.773 1.00 0.00 C ATOM 579 O LYS A 40 -13.174 5.260 2.459 1.00 0.00 O ATOM 580 CB LYS A 40 -10.096 4.883 3.159 1.00 0.00 C ATOM 581 CG LYS A 40 -10.856 5.159 4.483 1.00 0.00 C ATOM 582 CD LYS A 40 -10.573 6.593 4.949 1.00 0.00 C ATOM 583 CE LYS A 40 -11.352 6.891 6.232 1.00 0.00 C ATOM 584 NZ LYS A 40 -11.082 8.295 6.661 1.00 0.00 N ATOM 0 H LYS A 40 -9.553 4.743 0.690 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.439 3.327 2.476 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.256 4.215 3.353 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.680 5.815 2.776 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.927 5.018 4.336 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.544 4.449 5.248 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.505 6.723 5.124 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.857 7.300 4.169 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -12.420 6.749 6.064 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.058 6.196 7.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.611 8.499 7.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.064 8.414 6.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.383 8.951 5.912 1.00 0.00 H new ATOM 598 N ALA A 41 -11.968 5.994 0.709 1.00 0.00 N ATOM 599 CA ALA A 41 -12.988 6.960 0.299 1.00 0.00 C ATOM 600 C ALA A 41 -14.021 6.303 -0.599 1.00 0.00 C ATOM 601 O ALA A 41 -14.869 6.977 -1.185 1.00 0.00 O ATOM 602 CB ALA A 41 -12.338 8.138 -0.428 1.00 0.00 C ATOM 0 H ALA A 41 -11.135 5.976 0.120 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.490 7.327 1.194 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.107 8.850 -0.728 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.628 8.630 0.238 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.814 7.775 -1.313 1.00 0.00 H new ATOM 608 N LEU A 42 -13.931 4.984 -0.717 1.00 0.00 N ATOM 609 CA LEU A 42 -14.850 4.223 -1.570 1.00 0.00 C ATOM 610 C LEU A 42 -15.593 3.146 -0.774 1.00 0.00 C ATOM 611 O LEU A 42 -16.824 3.122 -0.753 1.00 0.00 O ATOM 612 CB LEU A 42 -14.044 3.569 -2.715 1.00 0.00 C ATOM 613 CG LEU A 42 -13.886 4.557 -3.921 1.00 0.00 C ATOM 614 CD1 LEU A 42 -12.446 4.518 -4.446 1.00 0.00 C ATOM 615 CD2 LEU A 42 -14.838 4.182 -5.080 1.00 0.00 C ATOM 0 H LEU A 42 -13.234 4.415 -0.236 1.00 0.00 H new ATOM 0 HA LEU A 42 -15.596 4.907 -1.976 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -13.060 3.273 -2.350 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.547 2.661 -3.047 1.00 0.00 H new ATOM 0 HG LEU A 42 -14.134 5.556 -3.562 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -12.345 5.208 -5.284 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -11.761 4.811 -3.651 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -12.207 3.507 -4.777 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -14.705 4.885 -5.902 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -14.611 3.173 -5.425 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -15.870 4.222 -4.731 1.00 0.00 H new ATOM 627 N LYS A 43 -14.832 2.244 -0.165 1.00 0.00 N ATOM 628 CA LYS A 43 -15.397 1.139 0.594 1.00 0.00 C ATOM 629 C LYS A 43 -16.279 0.306 -0.304 1.00 0.00 C ATOM 630 O LYS A 43 -17.084 -0.503 0.157 1.00 0.00 O ATOM 631 CB LYS A 43 -16.190 1.684 1.785 1.00 0.00 C ATOM 632 CG LYS A 43 -15.217 2.137 2.895 1.00 0.00 C ATOM 633 CD LYS A 43 -15.847 3.264 3.718 1.00 0.00 C ATOM 634 CE LYS A 43 -14.934 3.610 4.894 1.00 0.00 C ATOM 635 NZ LYS A 43 -15.553 4.703 5.696 1.00 0.00 N ATOM 0 H LYS A 43 -13.812 2.259 -0.184 1.00 0.00 H new ATOM 0 HA LYS A 43 -14.595 0.506 0.974 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -16.811 2.522 1.468 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -16.862 0.916 2.168 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -14.974 1.295 3.543 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -14.281 2.479 2.452 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -16.000 4.143 3.092 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -16.827 2.958 4.083 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.777 2.730 5.518 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.955 3.921 4.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.933 4.940 6.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.681 5.543 5.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.477 4.390 6.055 1.00 0.00 H new ATOM 649 N GLU A 44 -16.103 0.516 -1.601 1.00 0.00 N ATOM 650 CA GLU A 44 -16.855 -0.209 -2.612 1.00 0.00 C ATOM 651 C GLU A 44 -15.951 -1.276 -3.246 1.00 0.00 C ATOM 652 O GLU A 44 -15.143 -0.953 -4.116 1.00 0.00 O ATOM 653 CB GLU A 44 -17.333 0.781 -3.692 1.00 0.00 C ATOM 654 CG GLU A 44 -18.684 1.384 -3.293 1.00 0.00 C ATOM 655 CD GLU A 44 -19.792 0.357 -3.503 1.00 0.00 C ATOM 656 OE1 GLU A 44 -19.467 -0.792 -3.749 1.00 0.00 O ATOM 657 OE2 GLU A 44 -20.949 0.736 -3.416 1.00 0.00 O ATOM 0 H GLU A 44 -15.438 1.191 -1.979 1.00 0.00 H new ATOM 0 HA GLU A 44 -17.719 -0.694 -2.158 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -16.596 1.574 -3.821 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -17.423 0.270 -4.651 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -18.659 1.697 -2.249 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -18.884 2.275 -3.888 1.00 0.00 H new ATOM 664 N PRO A 45 -16.042 -2.527 -2.839 1.00 0.00 N ATOM 665 CA PRO A 45 -15.174 -3.595 -3.411 1.00 0.00 C ATOM 666 C PRO A 45 -15.028 -3.445 -4.924 1.00 0.00 C ATOM 667 O PRO A 45 -15.966 -3.704 -5.677 1.00 0.00 O ATOM 668 CB PRO A 45 -15.907 -4.881 -3.027 1.00 0.00 C ATOM 669 CG PRO A 45 -16.574 -4.555 -1.731 1.00 0.00 C ATOM 670 CD PRO A 45 -16.958 -3.071 -1.815 1.00 0.00 C ATOM 0 HA PRO A 45 -14.151 -3.567 -3.035 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -16.634 -5.166 -3.787 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -15.215 -5.716 -2.919 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -17.455 -5.178 -1.578 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -15.904 -4.738 -0.891 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -18.001 -2.944 -2.103 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -16.829 -2.570 -0.856 1.00 0.00 H new ATOM 678 N ALA A 46 -13.853 -2.980 -5.357 1.00 0.00 N ATOM 679 CA ALA A 46 -13.606 -2.748 -6.789 1.00 0.00 C ATOM 680 C ALA A 46 -12.186 -3.147 -7.216 1.00 0.00 C ATOM 681 O ALA A 46 -11.257 -3.138 -6.408 1.00 0.00 O ATOM 682 CB ALA A 46 -13.874 -1.260 -7.070 1.00 0.00 C ATOM 0 H ALA A 46 -13.065 -2.758 -4.748 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.274 -3.378 -7.376 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.700 -1.052 -8.126 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.908 -1.023 -6.819 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.204 -0.649 -6.465 1.00 0.00 H new ATOM 688 N GLU A 47 -12.033 -3.488 -8.512 1.00 0.00 N ATOM 689 CA GLU A 47 -10.722 -3.879 -9.051 1.00 0.00 C ATOM 690 C GLU A 47 -9.950 -2.632 -9.448 1.00 0.00 C ATOM 691 O GLU A 47 -9.907 -2.253 -10.604 1.00 0.00 O ATOM 692 CB GLU A 47 -10.878 -4.784 -10.283 1.00 0.00 C ATOM 693 CG GLU A 47 -11.341 -6.183 -9.871 1.00 0.00 C ATOM 694 CD GLU A 47 -11.337 -7.101 -11.087 1.00 0.00 C ATOM 695 OE1 GLU A 47 -11.133 -6.601 -12.181 1.00 0.00 O ATOM 696 OE2 GLU A 47 -11.539 -8.289 -10.907 1.00 0.00 O ATOM 0 H GLU A 47 -12.792 -3.500 -9.194 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.185 -4.430 -8.279 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.599 -4.346 -10.974 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.928 -4.851 -10.814 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.683 -6.582 -9.099 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.342 -6.134 -9.443 1.00 0.00 H new ATOM 703 N VAL A 48 -9.343 -1.989 -8.483 1.00 0.00 N ATOM 704 CA VAL A 48 -8.610 -0.773 -8.756 1.00 0.00 C ATOM 705 C VAL A 48 -7.263 -1.061 -9.385 1.00 0.00 C ATOM 706 O VAL A 48 -6.342 -1.544 -8.724 1.00 0.00 O ATOM 707 CB VAL A 48 -8.378 -0.014 -7.442 1.00 0.00 C ATOM 708 CG1 VAL A 48 -8.148 1.494 -7.703 1.00 0.00 C ATOM 709 CG2 VAL A 48 -9.574 -0.224 -6.484 1.00 0.00 C ATOM 0 H VAL A 48 -9.340 -2.282 -7.506 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.201 -0.179 -9.453 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.479 -0.413 -6.972 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.986 2.007 -6.755 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.273 1.624 -8.340 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -9.023 1.915 -8.199 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.397 0.320 -5.556 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -10.485 0.147 -6.953 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -9.684 -1.286 -6.267 1.00 0.00 H new ATOM 719 N ASP A 49 -7.139 -0.709 -10.645 1.00 0.00 N ATOM 720 CA ASP A 49 -5.876 -0.878 -11.334 1.00 0.00 C ATOM 721 C ASP A 49 -4.976 0.280 -10.945 1.00 0.00 C ATOM 722 O ASP A 49 -4.724 1.190 -11.734 1.00 0.00 O ATOM 723 CB ASP A 49 -6.083 -0.913 -12.850 1.00 0.00 C ATOM 724 CG ASP A 49 -4.777 -1.281 -13.547 1.00 0.00 C ATOM 725 OD1 ASP A 49 -3.733 -1.084 -12.948 1.00 0.00 O ATOM 726 OD2 ASP A 49 -4.841 -1.760 -14.667 1.00 0.00 O ATOM 0 H ASP A 49 -7.888 -0.308 -11.210 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.418 -1.825 -11.048 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.857 -1.638 -13.103 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.430 0.059 -13.200 1.00 0.00 H new ATOM 731 N LEU A 50 -4.527 0.244 -9.696 1.00 0.00 N ATOM 732 CA LEU A 50 -3.691 1.294 -9.156 1.00 0.00 C ATOM 733 C LEU A 50 -2.317 1.276 -9.810 1.00 0.00 C ATOM 734 O LEU A 50 -1.495 0.407 -9.516 1.00 0.00 O ATOM 735 CB LEU A 50 -3.550 1.086 -7.635 1.00 0.00 C ATOM 736 CG LEU A 50 -3.139 2.398 -6.931 1.00 0.00 C ATOM 737 CD1 LEU A 50 -3.490 2.341 -5.434 1.00 0.00 C ATOM 738 CD2 LEU A 50 -1.631 2.641 -7.087 1.00 0.00 C ATOM 0 H LEU A 50 -4.733 -0.509 -9.039 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.152 2.260 -9.359 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.495 0.730 -7.224 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.805 0.315 -7.438 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.687 3.216 -7.398 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.193 3.274 -4.955 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.564 2.199 -5.317 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.962 1.509 -4.968 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.358 3.569 -6.585 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.081 1.812 -6.641 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.382 2.714 -8.146 1.00 0.00 H new ATOM 750 N TYR A 51 -2.054 2.251 -10.683 1.00 0.00 N ATOM 751 CA TYR A 51 -0.749 2.326 -11.333 1.00 0.00 C ATOM 752 C TYR A 51 0.185 3.184 -10.478 1.00 0.00 C ATOM 753 O TYR A 51 0.011 4.400 -10.392 1.00 0.00 O ATOM 754 CB TYR A 51 -0.852 2.932 -12.745 1.00 0.00 C ATOM 755 CG TYR A 51 -2.121 2.480 -13.437 1.00 0.00 C ATOM 756 CD1 TYR A 51 -3.313 3.183 -13.242 1.00 0.00 C ATOM 757 CD2 TYR A 51 -2.105 1.362 -14.281 1.00 0.00 C ATOM 758 CE1 TYR A 51 -4.480 2.776 -13.887 1.00 0.00 C ATOM 759 CE2 TYR A 51 -3.276 0.952 -14.926 1.00 0.00 C ATOM 760 CZ TYR A 51 -4.465 1.660 -14.730 1.00 0.00 C ATOM 761 OH TYR A 51 -5.622 1.255 -15.363 1.00 0.00 O ATOM 0 H TYR A 51 -2.712 2.983 -10.950 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.357 1.314 -11.431 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.836 4.020 -12.680 1.00 0.00 H new ATOM 0 HB3 TYR A 51 0.014 2.636 -13.336 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.330 4.044 -12.590 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.186 0.815 -14.434 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.398 3.324 -13.735 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.262 0.089 -15.575 1.00 0.00 H new ATOM 0 HH TYR A 51 -5.435 0.465 -15.912 1.00 0.00 H new ATOM 771 N THR A 52 1.160 2.546 -9.823 1.00 0.00 N ATOM 772 CA THR A 52 2.098 3.262 -8.949 1.00 0.00 C ATOM 773 C THR A 52 3.537 3.077 -9.417 1.00 0.00 C ATOM 774 O THR A 52 4.050 1.962 -9.451 1.00 0.00 O ATOM 775 CB THR A 52 1.962 2.750 -7.506 1.00 0.00 C ATOM 776 OG1 THR A 52 2.990 3.322 -6.709 1.00 0.00 O ATOM 777 CG2 THR A 52 2.079 1.222 -7.464 1.00 0.00 C ATOM 0 H THR A 52 1.321 1.540 -9.880 1.00 0.00 H new ATOM 0 HA THR A 52 1.854 4.323 -8.990 1.00 0.00 H new ATOM 0 HB THR A 52 0.984 3.037 -7.120 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.444 2.615 -6.204 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.980 0.878 -6.435 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.290 0.780 -8.072 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.050 0.921 -7.856 1.00 0.00 H new ATOM 785 N ASP A 53 4.191 4.180 -9.767 1.00 0.00 N ATOM 786 CA ASP A 53 5.580 4.129 -10.226 1.00 0.00 C ATOM 787 C ASP A 53 6.523 4.478 -9.081 1.00 0.00 C ATOM 788 O ASP A 53 7.494 5.211 -9.266 1.00 0.00 O ATOM 789 CB ASP A 53 5.784 5.120 -11.375 1.00 0.00 C ATOM 790 CG ASP A 53 5.711 6.555 -10.855 1.00 0.00 C ATOM 791 OD1 ASP A 53 5.293 6.732 -9.723 1.00 0.00 O ATOM 792 OD2 ASP A 53 6.078 7.452 -11.595 1.00 0.00 O ATOM 0 H ASP A 53 3.787 5.116 -9.743 1.00 0.00 H new ATOM 0 HA ASP A 53 5.798 3.119 -10.574 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.751 4.946 -11.848 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.023 4.963 -12.139 1.00 0.00 H new ATOM 797 N SER A 54 6.234 3.942 -7.897 1.00 0.00 N ATOM 798 CA SER A 54 7.067 4.196 -6.721 1.00 0.00 C ATOM 799 C SER A 54 8.000 3.020 -6.459 1.00 0.00 C ATOM 800 O SER A 54 7.712 1.886 -6.838 1.00 0.00 O ATOM 801 CB SER A 54 6.188 4.444 -5.498 1.00 0.00 C ATOM 802 OG SER A 54 5.651 5.758 -5.564 1.00 0.00 O ATOM 0 H SER A 54 5.434 3.332 -7.726 1.00 0.00 H new ATOM 0 HA SER A 54 7.671 5.083 -6.913 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.382 3.711 -5.460 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.772 4.323 -4.586 1.00 0.00 H new ATOM 0 HG SER A 54 4.683 5.709 -5.709 1.00 0.00 H new ATOM 808 N HIS A 55 9.133 3.312 -5.821 1.00 0.00 N ATOM 809 CA HIS A 55 10.134 2.288 -5.521 1.00 0.00 C ATOM 810 C HIS A 55 9.965 1.732 -4.114 1.00 0.00 C ATOM 811 O HIS A 55 10.766 0.917 -3.658 1.00 0.00 O ATOM 812 CB HIS A 55 11.529 2.896 -5.657 1.00 0.00 C ATOM 813 CG HIS A 55 11.764 3.290 -7.088 1.00 0.00 C ATOM 814 ND1 HIS A 55 11.800 2.357 -8.113 1.00 0.00 N ATOM 815 CD2 HIS A 55 11.970 4.510 -7.681 1.00 0.00 C ATOM 816 CE1 HIS A 55 12.020 3.026 -9.259 1.00 0.00 C ATOM 817 NE2 HIS A 55 12.131 4.341 -9.053 1.00 0.00 N ATOM 0 H HIS A 55 9.381 4.249 -5.502 1.00 0.00 H new ATOM 0 HA HIS A 55 10.002 1.468 -6.227 1.00 0.00 H new ATOM 0 HB2 HIS A 55 11.623 3.767 -5.008 1.00 0.00 H new ATOM 0 HB3 HIS A 55 12.284 2.177 -5.337 1.00 0.00 H new ATOM 0 HD2 HIS A 55 12.002 5.457 -7.162 1.00 0.00 H new ATOM 0 HE1 HIS A 55 12.098 2.557 -10.229 1.00 0.00 H new ATOM 0 HE2 HIS A 55 12.298 5.066 -9.751 1.00 0.00 H new ATOM 825 N TYR A 56 8.922 2.180 -3.432 1.00 0.00 N ATOM 826 CA TYR A 56 8.645 1.729 -2.060 1.00 0.00 C ATOM 827 C TYR A 56 7.409 0.840 -2.033 1.00 0.00 C ATOM 828 O TYR A 56 7.412 -0.228 -1.421 1.00 0.00 O ATOM 829 CB TYR A 56 8.439 2.957 -1.156 1.00 0.00 C ATOM 830 CG TYR A 56 8.200 2.561 0.302 1.00 0.00 C ATOM 831 CD1 TYR A 56 9.099 1.718 0.987 1.00 0.00 C ATOM 832 CD2 TYR A 56 7.077 3.062 0.982 1.00 0.00 C ATOM 833 CE1 TYR A 56 8.866 1.384 2.327 1.00 0.00 C ATOM 834 CE2 TYR A 56 6.854 2.727 2.318 1.00 0.00 C ATOM 835 CZ TYR A 56 7.743 1.888 2.992 1.00 0.00 C ATOM 836 OH TYR A 56 7.516 1.559 4.313 1.00 0.00 O ATOM 0 H TYR A 56 8.250 2.854 -3.798 1.00 0.00 H new ATOM 0 HA TYR A 56 9.491 1.147 -1.694 1.00 0.00 H new ATOM 0 HB2 TYR A 56 9.315 3.603 -1.217 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.589 3.536 -1.519 1.00 0.00 H new ATOM 0 HD1 TYR A 56 9.968 1.329 0.478 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.383 3.710 0.468 1.00 0.00 H new ATOM 0 HE1 TYR A 56 9.555 0.736 2.848 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.989 3.119 2.833 1.00 0.00 H new ATOM 0 HH TYR A 56 7.042 2.293 4.756 1.00 0.00 H new ATOM 846 N LEU A 57 6.353 1.293 -2.695 1.00 0.00 N ATOM 847 CA LEU A 57 5.111 0.543 -2.743 1.00 0.00 C ATOM 848 C LEU A 57 5.310 -0.797 -3.454 1.00 0.00 C ATOM 849 O LEU A 57 4.859 -1.853 -2.983 1.00 0.00 O ATOM 850 CB LEU A 57 4.071 1.372 -3.511 1.00 0.00 C ATOM 851 CG LEU A 57 3.494 2.492 -2.621 1.00 0.00 C ATOM 852 CD1 LEU A 57 4.593 3.512 -2.278 1.00 0.00 C ATOM 853 CD2 LEU A 57 2.360 3.192 -3.380 1.00 0.00 C ATOM 0 H LEU A 57 6.334 2.176 -3.205 1.00 0.00 H new ATOM 0 HA LEU A 57 4.774 0.346 -1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.530 1.807 -4.398 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.265 0.724 -3.855 1.00 0.00 H new ATOM 0 HG LEU A 57 3.113 2.063 -1.694 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.176 4.299 -1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.401 3.011 -1.744 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.982 3.950 -3.197 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.944 3.986 -2.761 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.750 3.619 -4.304 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.579 2.469 -3.616 1.00 0.00 H new ATOM 865 N LYS A 58 6.003 -0.738 -4.583 1.00 0.00 N ATOM 866 CA LYS A 58 6.274 -1.927 -5.373 1.00 0.00 C ATOM 867 C LYS A 58 7.227 -2.842 -4.626 1.00 0.00 C ATOM 868 O LYS A 58 6.916 -3.991 -4.343 1.00 0.00 O ATOM 869 CB LYS A 58 6.900 -1.493 -6.701 1.00 0.00 C ATOM 870 CG LYS A 58 7.226 -2.706 -7.576 1.00 0.00 C ATOM 871 CD LYS A 58 8.080 -2.243 -8.748 1.00 0.00 C ATOM 872 CE LYS A 58 8.353 -3.419 -9.686 1.00 0.00 C ATOM 873 NZ LYS A 58 9.282 -2.987 -10.768 1.00 0.00 N ATOM 0 H LYS A 58 6.388 0.123 -4.971 1.00 0.00 H new ATOM 0 HA LYS A 58 5.347 -2.471 -5.557 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.215 -0.831 -7.231 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.809 -0.923 -6.510 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.757 -3.460 -6.995 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.308 -3.170 -7.937 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.570 -1.445 -9.289 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.021 -1.830 -8.384 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.788 -4.249 -9.129 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.419 -3.779 -10.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.468 -3.787 -11.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.851 -2.208 -11.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.177 -2.664 -10.349 1.00 0.00 H new ATOM 887 N LYS A 59 8.388 -2.305 -4.307 1.00 0.00 N ATOM 888 CA LYS A 59 9.408 -3.042 -3.591 1.00 0.00 C ATOM 889 C LYS A 59 8.807 -3.852 -2.444 1.00 0.00 C ATOM 890 O LYS A 59 9.014 -5.059 -2.346 1.00 0.00 O ATOM 891 CB LYS A 59 10.399 -2.014 -3.041 1.00 0.00 C ATOM 892 CG LYS A 59 11.444 -2.663 -2.120 1.00 0.00 C ATOM 893 CD LYS A 59 12.283 -1.558 -1.422 1.00 0.00 C ATOM 894 CE LYS A 59 12.190 -1.718 0.102 1.00 0.00 C ATOM 895 NZ LYS A 59 13.049 -0.694 0.764 1.00 0.00 N ATOM 0 H LYS A 59 8.650 -1.346 -4.537 1.00 0.00 H new ATOM 0 HA LYS A 59 9.898 -3.749 -4.261 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.904 -1.517 -3.869 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.857 -1.245 -2.490 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.949 -3.284 -1.373 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.096 -3.318 -2.698 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.323 -1.623 -1.741 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.920 -0.573 -1.716 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.156 -1.606 0.427 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.509 -2.719 0.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.986 -0.803 1.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.036 -0.821 0.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.725 0.257 0.496 1.00 0.00 H new ATOM 909 N ALA A 60 8.089 -3.171 -1.564 1.00 0.00 N ATOM 910 CA ALA A 60 7.499 -3.830 -0.407 1.00 0.00 C ATOM 911 C ALA A 60 6.639 -5.021 -0.813 1.00 0.00 C ATOM 912 O ALA A 60 6.890 -6.153 -0.400 1.00 0.00 O ATOM 913 CB ALA A 60 6.644 -2.827 0.369 1.00 0.00 C ATOM 0 H ALA A 60 7.901 -2.170 -1.627 1.00 0.00 H new ATOM 0 HA ALA A 60 8.311 -4.200 0.219 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.202 -3.319 1.235 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.268 -1.998 0.702 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.852 -2.448 -0.277 1.00 0.00 H new ATOM 919 N PHE A 61 5.611 -4.753 -1.601 1.00 0.00 N ATOM 920 CA PHE A 61 4.694 -5.796 -2.036 1.00 0.00 C ATOM 921 C PHE A 61 5.372 -6.817 -2.969 1.00 0.00 C ATOM 922 O PHE A 61 5.092 -8.013 -2.888 1.00 0.00 O ATOM 923 CB PHE A 61 3.490 -5.132 -2.731 1.00 0.00 C ATOM 924 CG PHE A 61 2.442 -4.739 -1.700 1.00 0.00 C ATOM 925 CD1 PHE A 61 2.814 -3.973 -0.583 1.00 0.00 C ATOM 926 CD2 PHE A 61 1.105 -5.150 -1.849 1.00 0.00 C ATOM 927 CE1 PHE A 61 1.857 -3.618 0.374 1.00 0.00 C ATOM 928 CE2 PHE A 61 0.154 -4.793 -0.886 1.00 0.00 C ATOM 929 CZ PHE A 61 0.529 -4.028 0.223 1.00 0.00 C ATOM 0 H PHE A 61 5.390 -3.822 -1.953 1.00 0.00 H new ATOM 0 HA PHE A 61 4.361 -6.355 -1.162 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.819 -4.250 -3.281 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.056 -5.818 -3.458 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.840 -3.658 -0.463 1.00 0.00 H new ATOM 0 HD2 PHE A 61 0.813 -5.740 -2.705 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.145 -3.026 1.231 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.872 -5.109 -1.000 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.208 -3.754 0.963 1.00 0.00 H new ATOM 939 N THR A 62 6.241 -6.347 -3.861 1.00 0.00 N ATOM 940 CA THR A 62 6.918 -7.246 -4.803 1.00 0.00 C ATOM 941 C THR A 62 7.966 -8.113 -4.107 1.00 0.00 C ATOM 942 O THR A 62 8.317 -9.184 -4.601 1.00 0.00 O ATOM 943 CB THR A 62 7.576 -6.449 -5.938 1.00 0.00 C ATOM 944 OG1 THR A 62 8.422 -5.448 -5.390 1.00 0.00 O ATOM 945 CG2 THR A 62 6.497 -5.799 -6.813 1.00 0.00 C ATOM 0 H THR A 62 6.493 -5.363 -3.954 1.00 0.00 H new ATOM 0 HA THR A 62 6.156 -7.904 -5.221 1.00 0.00 H new ATOM 0 HB THR A 62 8.171 -7.124 -6.553 1.00 0.00 H new ATOM 0 HG1 THR A 62 8.012 -5.082 -4.579 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.971 -5.235 -7.616 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.860 -6.573 -7.240 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.892 -5.126 -6.205 1.00 0.00 H new ATOM 953 N GLU A 63 8.446 -7.667 -2.950 1.00 0.00 N ATOM 954 CA GLU A 63 9.432 -8.444 -2.199 1.00 0.00 C ATOM 955 C GLU A 63 8.731 -9.559 -1.427 1.00 0.00 C ATOM 956 O GLU A 63 9.373 -10.407 -0.807 1.00 0.00 O ATOM 957 CB GLU A 63 10.217 -7.531 -1.250 1.00 0.00 C ATOM 958 CG GLU A 63 11.305 -6.787 -2.035 1.00 0.00 C ATOM 959 CD GLU A 63 11.931 -5.712 -1.162 1.00 0.00 C ATOM 960 OE1 GLU A 63 11.404 -5.470 -0.094 1.00 0.00 O ATOM 961 OE2 GLU A 63 12.922 -5.135 -1.582 1.00 0.00 O ATOM 0 H GLU A 63 8.175 -6.785 -2.515 1.00 0.00 H new ATOM 0 HA GLU A 63 10.139 -8.895 -2.895 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.544 -6.817 -0.776 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.669 -8.121 -0.452 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.070 -7.489 -2.367 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.876 -6.336 -2.930 1.00 0.00 H new ATOM 968 N GLY A 64 7.406 -9.558 -1.506 1.00 0.00 N ATOM 969 CA GLY A 64 6.593 -10.579 -0.854 1.00 0.00 C ATOM 970 C GLY A 64 6.967 -10.790 0.611 1.00 0.00 C ATOM 971 O GLY A 64 6.401 -11.665 1.269 1.00 0.00 O ATOM 0 H GLY A 64 6.869 -8.858 -2.018 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.542 -10.296 -0.918 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.702 -11.521 -1.391 1.00 0.00 H new ATOM 975 N TRP A 65 7.904 -9.998 1.139 1.00 0.00 N ATOM 976 CA TRP A 65 8.290 -10.154 2.540 1.00 0.00 C ATOM 977 C TRP A 65 7.273 -9.477 3.448 1.00 0.00 C ATOM 978 O TRP A 65 7.456 -9.387 4.661 1.00 0.00 O ATOM 979 CB TRP A 65 9.725 -9.643 2.803 1.00 0.00 C ATOM 980 CG TRP A 65 9.913 -8.152 2.618 1.00 0.00 C ATOM 981 CD1 TRP A 65 8.954 -7.201 2.437 1.00 0.00 C ATOM 982 CD2 TRP A 65 11.186 -7.432 2.611 1.00 0.00 C ATOM 983 NE1 TRP A 65 9.566 -5.962 2.340 1.00 0.00 N ATOM 984 CE2 TRP A 65 10.935 -6.054 2.436 1.00 0.00 C ATOM 985 CE3 TRP A 65 12.524 -7.847 2.747 1.00 0.00 C ATOM 986 CZ2 TRP A 65 11.969 -5.120 2.392 1.00 0.00 C ATOM 987 CZ3 TRP A 65 13.569 -6.909 2.699 1.00 0.00 C ATOM 988 CH2 TRP A 65 13.292 -5.546 2.524 1.00 0.00 C ATOM 0 H TRP A 65 8.397 -9.262 0.633 1.00 0.00 H new ATOM 0 HA TRP A 65 8.295 -11.219 2.772 1.00 0.00 H new ATOM 0 HB2 TRP A 65 10.008 -9.907 3.822 1.00 0.00 H new ATOM 0 HB3 TRP A 65 10.410 -10.167 2.136 1.00 0.00 H new ATOM 0 HD1 TRP A 65 7.891 -7.383 2.379 1.00 0.00 H new ATOM 0 HE1 TRP A 65 9.061 -5.085 2.212 1.00 0.00 H new ATOM 0 HE3 TRP A 65 12.749 -8.894 2.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 11.748 -4.072 2.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 14.592 -7.240 2.798 1.00 0.00 H new ATOM 0 HH2 TRP A 65 14.099 -4.829 2.491 1.00 0.00 H new ATOM 999 N LEU A 66 6.189 -9.010 2.830 1.00 0.00 N ATOM 1000 CA LEU A 66 5.119 -8.340 3.556 1.00 0.00 C ATOM 1001 C LEU A 66 4.508 -9.300 4.579 1.00 0.00 C ATOM 1002 O LEU A 66 4.168 -8.931 5.701 1.00 0.00 O ATOM 1003 CB LEU A 66 4.046 -7.856 2.561 1.00 0.00 C ATOM 1004 CG LEU A 66 3.172 -6.727 3.180 1.00 0.00 C ATOM 1005 CD1 LEU A 66 2.643 -5.799 2.083 1.00 0.00 C ATOM 1006 CD2 LEU A 66 1.975 -7.326 3.929 1.00 0.00 C ATOM 0 H LEU A 66 6.031 -9.085 1.825 1.00 0.00 H new ATOM 0 HA LEU A 66 5.521 -7.477 4.087 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.526 -7.491 1.653 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.411 -8.693 2.271 1.00 0.00 H new ATOM 0 HG LEU A 66 3.796 -6.163 3.873 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.034 -5.015 2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.482 -5.348 1.552 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.037 -6.373 1.382 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.374 -6.523 4.356 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.366 -7.906 3.236 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.333 -7.975 4.728 1.00 0.00 H new ATOM 1018 N GLU A 67 4.399 -10.554 4.204 1.00 0.00 N ATOM 1019 CA GLU A 67 3.865 -11.536 5.128 1.00 0.00 C ATOM 1020 C GLU A 67 4.729 -11.500 6.391 1.00 0.00 C ATOM 1021 O GLU A 67 4.228 -11.425 7.523 1.00 0.00 O ATOM 1022 CB GLU A 67 3.868 -12.931 4.456 1.00 0.00 C ATOM 1023 CG GLU A 67 4.271 -14.025 5.448 1.00 0.00 C ATOM 1024 CD GLU A 67 4.005 -15.400 4.848 1.00 0.00 C ATOM 1025 OE1 GLU A 67 3.352 -15.460 3.820 1.00 0.00 O ATOM 1026 OE2 GLU A 67 4.459 -16.375 5.425 1.00 0.00 O ATOM 0 H GLU A 67 4.665 -10.916 3.288 1.00 0.00 H new ATOM 0 HA GLU A 67 2.833 -11.315 5.400 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.877 -13.147 4.056 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.559 -12.929 3.613 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.327 -13.928 5.699 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.710 -13.910 6.376 1.00 0.00 H new ATOM 1033 N GLY A 68 6.036 -11.520 6.178 1.00 0.00 N ATOM 1034 CA GLY A 68 6.960 -11.459 7.287 1.00 0.00 C ATOM 1035 C GLY A 68 6.712 -10.182 8.076 1.00 0.00 C ATOM 1036 O GLY A 68 6.677 -10.205 9.303 1.00 0.00 O ATOM 0 H GLY A 68 6.471 -11.577 5.257 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.832 -12.329 7.931 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.987 -11.481 6.922 1.00 0.00 H new ATOM 1040 N TRP A 69 6.516 -9.061 7.365 1.00 0.00 N ATOM 1041 CA TRP A 69 6.269 -7.793 8.043 1.00 0.00 C ATOM 1042 C TRP A 69 5.291 -8.010 9.198 1.00 0.00 C ATOM 1043 O TRP A 69 5.544 -7.577 10.314 1.00 0.00 O ATOM 1044 CB TRP A 69 5.707 -6.727 7.081 1.00 0.00 C ATOM 1045 CG TRP A 69 6.800 -5.909 6.461 1.00 0.00 C ATOM 1046 CD1 TRP A 69 8.086 -6.291 6.253 1.00 0.00 C ATOM 1047 CD2 TRP A 69 6.692 -4.558 5.963 1.00 0.00 C ATOM 1048 NE1 TRP A 69 8.767 -5.239 5.661 1.00 0.00 N ATOM 1049 CE2 TRP A 69 7.943 -4.145 5.463 1.00 0.00 C ATOM 1050 CE3 TRP A 69 5.621 -3.667 5.907 1.00 0.00 C ATOM 1051 CZ2 TRP A 69 8.123 -2.869 4.922 1.00 0.00 C ATOM 1052 CZ3 TRP A 69 5.785 -2.389 5.370 1.00 0.00 C ATOM 1053 CH2 TRP A 69 7.036 -1.984 4.874 1.00 0.00 C ATOM 0 H TRP A 69 6.524 -9.012 6.346 1.00 0.00 H new ATOM 0 HA TRP A 69 7.223 -7.428 8.424 1.00 0.00 H new ATOM 0 HB2 TRP A 69 5.127 -7.214 6.297 1.00 0.00 H new ATOM 0 HB3 TRP A 69 5.024 -6.072 7.622 1.00 0.00 H new ATOM 0 HD1 TRP A 69 8.507 -7.253 6.506 1.00 0.00 H new ATOM 0 HE1 TRP A 69 9.753 -5.268 5.403 1.00 0.00 H new ATOM 0 HE3 TRP A 69 4.655 -3.969 6.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 9.089 -2.568 4.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 4.947 -1.709 5.336 1.00 0.00 H new ATOM 0 HH2 TRP A 69 7.160 -0.995 4.458 1.00 0.00 H new ATOM 1064 N ARG A 70 4.187 -8.703 8.921 1.00 0.00 N ATOM 1065 CA ARG A 70 3.183 -8.975 9.954 1.00 0.00 C ATOM 1066 C ARG A 70 3.764 -9.809 11.089 1.00 0.00 C ATOM 1067 O ARG A 70 3.519 -9.535 12.263 1.00 0.00 O ATOM 1068 CB ARG A 70 2.021 -9.743 9.342 1.00 0.00 C ATOM 1069 CG ARG A 70 1.240 -8.831 8.394 1.00 0.00 C ATOM 1070 CD ARG A 70 0.166 -9.650 7.687 1.00 0.00 C ATOM 1071 NE ARG A 70 0.787 -10.634 6.805 1.00 0.00 N ATOM 1072 CZ ARG A 70 0.043 -11.501 6.123 1.00 0.00 C ATOM 1073 NH1 ARG A 70 -1.258 -11.448 6.211 1.00 0.00 N ATOM 1074 NH2 ARG A 70 0.605 -12.404 5.366 1.00 0.00 N ATOM 0 H ARG A 70 3.965 -9.083 8.001 1.00 0.00 H new ATOM 0 HA ARG A 70 2.849 -8.018 10.354 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.393 -10.613 8.801 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.364 -10.114 10.128 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.783 -8.013 8.951 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.913 -8.383 7.663 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -0.462 -10.154 8.422 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.484 -8.992 7.110 1.00 0.00 H new ATOM 0 HE ARG A 70 1.802 -10.657 6.711 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -1.701 -10.744 6.801 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -1.832 -12.111 5.690 1.00 0.00 H new ATOM 0 HH21 ARG A 70 1.621 -12.448 5.294 1.00 0.00 H new ATOM 0 HH22 ARG A 70 0.028 -13.065 4.846 1.00 0.00 H new ATOM 1088 N LYS A 71 4.529 -10.828 10.729 1.00 0.00 N ATOM 1089 CA LYS A 71 5.141 -11.706 11.736 1.00 0.00 C ATOM 1090 C LYS A 71 6.407 -11.064 12.300 1.00 0.00 C ATOM 1091 O LYS A 71 7.037 -11.593 13.215 1.00 0.00 O ATOM 1092 CB LYS A 71 5.475 -13.076 11.117 1.00 0.00 C ATOM 1093 CG LYS A 71 4.241 -13.985 11.133 1.00 0.00 C ATOM 1094 CD LYS A 71 3.171 -13.411 10.204 1.00 0.00 C ATOM 1095 CE LYS A 71 2.034 -14.423 10.046 1.00 0.00 C ATOM 1096 NZ LYS A 71 1.341 -14.602 11.353 1.00 0.00 N ATOM 0 H LYS A 71 4.744 -11.072 9.762 1.00 0.00 H new ATOM 0 HA LYS A 71 4.429 -11.851 12.548 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.824 -12.944 10.093 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.287 -13.545 11.673 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.513 -14.991 10.813 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.850 -14.068 12.147 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.786 -12.476 10.610 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.605 -13.181 9.231 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.327 -14.077 9.292 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.429 -15.378 9.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.454 -15.124 11.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.955 -15.136 12.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.130 -13.670 11.765 1.00 0.00 H new ATOM 1110 N ARG A 72 6.773 -9.932 11.725 1.00 0.00 N ATOM 1111 CA ARG A 72 7.970 -9.197 12.128 1.00 0.00 C ATOM 1112 C ARG A 72 7.642 -8.080 13.109 1.00 0.00 C ATOM 1113 O ARG A 72 8.515 -7.300 13.490 1.00 0.00 O ATOM 1114 CB ARG A 72 8.578 -8.605 10.867 1.00 0.00 C ATOM 1115 CG ARG A 72 9.391 -9.674 10.134 1.00 0.00 C ATOM 1116 CD ARG A 72 9.898 -9.123 8.806 1.00 0.00 C ATOM 1117 NE ARG A 72 10.659 -10.147 8.098 1.00 0.00 N ATOM 1118 CZ ARG A 72 11.943 -10.362 8.369 1.00 0.00 C ATOM 1119 NH1 ARG A 72 12.546 -9.645 9.277 1.00 0.00 N ATOM 1120 NH2 ARG A 72 12.598 -11.291 7.727 1.00 0.00 N ATOM 0 H ARG A 72 6.253 -9.493 10.966 1.00 0.00 H new ATOM 0 HA ARG A 72 8.662 -9.873 12.631 1.00 0.00 H new ATOM 0 HB2 ARG A 72 7.791 -8.224 10.217 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.217 -7.760 11.122 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.232 -9.990 10.751 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.775 -10.556 9.960 1.00 0.00 H new ATOM 0 HD2 ARG A 72 9.057 -8.795 8.194 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.525 -8.249 8.981 1.00 0.00 H new ATOM 0 HE ARG A 72 10.198 -10.708 7.382 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.033 -8.920 9.778 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.531 -9.809 9.485 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.125 -11.851 7.018 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.583 -11.456 7.934 1.00 0.00 H new ATOM 1134 N GLY A 73 6.392 -8.010 13.510 1.00 0.00 N ATOM 1135 CA GLY A 73 5.971 -6.977 14.448 1.00 0.00 C ATOM 1136 C GLY A 73 6.093 -5.608 13.798 1.00 0.00 C ATOM 1137 O GLY A 73 5.840 -4.582 14.425 1.00 0.00 O ATOM 0 H GLY A 73 5.652 -8.645 13.209 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.940 -7.152 14.757 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.585 -7.018 15.348 1.00 0.00 H new ATOM 1141 N TRP A 74 6.478 -5.637 12.521 1.00 0.00 N ATOM 1142 CA TRP A 74 6.638 -4.449 11.693 1.00 0.00 C ATOM 1143 C TRP A 74 7.875 -3.634 12.023 1.00 0.00 C ATOM 1144 O TRP A 74 7.861 -2.711 12.838 1.00 0.00 O ATOM 1145 CB TRP A 74 5.355 -3.585 11.691 1.00 0.00 C ATOM 1146 CG TRP A 74 4.430 -4.195 10.697 1.00 0.00 C ATOM 1147 CD1 TRP A 74 4.029 -5.479 10.728 1.00 0.00 C ATOM 1148 CD2 TRP A 74 3.831 -3.604 9.511 1.00 0.00 C ATOM 1149 NE1 TRP A 74 3.265 -5.730 9.614 1.00 0.00 N ATOM 1150 CE2 TRP A 74 3.086 -4.602 8.846 1.00 0.00 C ATOM 1151 CE3 TRP A 74 3.866 -2.319 8.956 1.00 0.00 C ATOM 1152 CZ2 TRP A 74 2.396 -4.340 7.667 1.00 0.00 C ATOM 1153 CZ3 TRP A 74 3.174 -2.038 7.771 1.00 0.00 C ATOM 1154 CH2 TRP A 74 2.429 -3.057 7.120 1.00 0.00 C ATOM 0 H TRP A 74 6.690 -6.504 12.028 1.00 0.00 H new ATOM 0 HA TRP A 74 6.799 -4.812 10.678 1.00 0.00 H new ATOM 0 HB2 TRP A 74 4.900 -3.565 12.681 1.00 0.00 H new ATOM 0 HB3 TRP A 74 5.584 -2.553 11.424 1.00 0.00 H new ATOM 0 HD1 TRP A 74 4.268 -6.194 11.501 1.00 0.00 H new ATOM 0 HE1 TRP A 74 2.876 -6.644 9.383 1.00 0.00 H new ATOM 0 HE3 TRP A 74 4.431 -1.539 9.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 1.838 -5.125 7.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 3.207 -1.044 7.351 1.00 0.00 H new ATOM 0 HH2 TRP A 74 1.892 -2.840 6.208 1.00 0.00 H new ATOM 1165 N ARG A 75 8.929 -3.984 11.298 1.00 0.00 N ATOM 1166 CA ARG A 75 10.222 -3.318 11.373 1.00 0.00 C ATOM 1167 C ARG A 75 10.812 -3.322 9.967 1.00 0.00 C ATOM 1168 O ARG A 75 10.330 -4.050 9.099 1.00 0.00 O ATOM 1169 CB ARG A 75 11.178 -4.063 12.326 1.00 0.00 C ATOM 1170 CG ARG A 75 10.938 -3.646 13.790 1.00 0.00 C ATOM 1171 CD ARG A 75 9.802 -4.480 14.430 1.00 0.00 C ATOM 1172 NE ARG A 75 8.848 -3.591 15.076 1.00 0.00 N ATOM 1173 CZ ARG A 75 8.994 -3.213 16.343 1.00 0.00 C ATOM 1174 NH1 ARG A 75 10.028 -3.618 17.031 1.00 0.00 N ATOM 1175 NH2 ARG A 75 8.112 -2.426 16.896 1.00 0.00 N ATOM 0 H ARG A 75 8.909 -4.753 10.629 1.00 0.00 H new ATOM 0 HA ARG A 75 10.094 -2.305 11.755 1.00 0.00 H new ATOM 0 HB2 ARG A 75 11.034 -5.139 12.223 1.00 0.00 H new ATOM 0 HB3 ARG A 75 12.211 -3.851 12.049 1.00 0.00 H new ATOM 0 HG2 ARG A 75 11.856 -3.776 14.363 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.684 -2.587 13.832 1.00 0.00 H new ATOM 0 HD2 ARG A 75 9.300 -5.076 13.667 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.215 -5.178 15.158 1.00 0.00 H new ATOM 0 HE ARG A 75 8.048 -3.249 14.544 1.00 0.00 H new ATOM 0 HH11 ARG A 75 10.724 -4.224 16.597 1.00 0.00 H new ATOM 0 HH12 ARG A 75 10.140 -3.328 18.002 1.00 0.00 H new ATOM 0 HH21 ARG A 75 7.310 -2.100 16.357 1.00 0.00 H new ATOM 0 HH22 ARG A 75 8.225 -2.137 17.868 1.00 0.00 H new ATOM 1189 N THR A 76 11.857 -2.540 9.736 1.00 0.00 N ATOM 1190 CA THR A 76 12.477 -2.522 8.420 1.00 0.00 C ATOM 1191 C THR A 76 13.477 -3.641 8.307 1.00 0.00 C ATOM 1192 O THR A 76 13.781 -4.329 9.281 1.00 0.00 O ATOM 1193 CB THR A 76 13.207 -1.221 8.158 1.00 0.00 C ATOM 1194 OG1 THR A 76 14.242 -1.087 9.106 1.00 0.00 O ATOM 1195 CG2 THR A 76 12.237 -0.050 8.244 1.00 0.00 C ATOM 0 H THR A 76 12.285 -1.923 10.426 1.00 0.00 H new ATOM 0 HA THR A 76 11.676 -2.637 7.690 1.00 0.00 H new ATOM 0 HB THR A 76 13.635 -1.227 7.155 1.00 0.00 H new ATOM 0 HG1 THR A 76 15.097 -0.970 8.642 1.00 0.00 H new ATOM 0 HG21 THR A 76 12.772 0.880 8.054 1.00 0.00 H new ATOM 0 HG22 THR A 76 11.450 -0.174 7.500 1.00 0.00 H new ATOM 0 HG23 THR A 76 11.794 -0.017 9.239 1.00 0.00 H new ATOM 1203 N ALA A 77 13.991 -3.814 7.111 1.00 0.00 N ATOM 1204 CA ALA A 77 14.964 -4.851 6.872 1.00 0.00 C ATOM 1205 C ALA A 77 16.153 -4.701 7.811 1.00 0.00 C ATOM 1206 O ALA A 77 16.948 -5.630 7.960 1.00 0.00 O ATOM 1207 CB ALA A 77 15.416 -4.816 5.407 1.00 0.00 C ATOM 0 H ALA A 77 13.752 -3.253 6.293 1.00 0.00 H new ATOM 0 HA ALA A 77 14.503 -5.818 7.071 1.00 0.00 H new ATOM 0 HB1 ALA A 77 16.151 -5.602 5.234 1.00 0.00 H new ATOM 0 HB2 ALA A 77 14.556 -4.974 4.757 1.00 0.00 H new ATOM 0 HB3 ALA A 77 15.863 -3.847 5.187 1.00 0.00 H new ATOM 1213 N GLU A 78 16.270 -3.544 8.467 1.00 0.00 N ATOM 1214 CA GLU A 78 17.369 -3.337 9.407 1.00 0.00 C ATOM 1215 C GLU A 78 16.961 -3.867 10.776 1.00 0.00 C ATOM 1216 O GLU A 78 17.728 -4.563 11.444 1.00 0.00 O ATOM 1217 CB GLU A 78 17.728 -1.840 9.502 1.00 0.00 C ATOM 1218 CG GLU A 78 19.236 -1.664 9.703 1.00 0.00 C ATOM 1219 CD GLU A 78 19.578 -0.180 9.783 1.00 0.00 C ATOM 1220 OE1 GLU A 78 18.844 0.609 9.212 1.00 0.00 O ATOM 1221 OE2 GLU A 78 20.570 0.146 10.415 1.00 0.00 O ATOM 0 H GLU A 78 15.632 -2.754 8.367 1.00 0.00 H new ATOM 0 HA GLU A 78 18.249 -3.875 9.053 1.00 0.00 H new ATOM 0 HB2 GLU A 78 17.413 -1.326 8.594 1.00 0.00 H new ATOM 0 HB3 GLU A 78 17.188 -1.382 10.331 1.00 0.00 H new ATOM 0 HG2 GLU A 78 19.552 -2.169 10.616 1.00 0.00 H new ATOM 0 HG3 GLU A 78 19.778 -2.127 8.879 1.00 0.00 H new ATOM 1228 N GLY A 79 15.737 -3.534 11.179 1.00 0.00 N ATOM 1229 CA GLY A 79 15.204 -3.976 12.464 1.00 0.00 C ATOM 1230 C GLY A 79 14.598 -2.817 13.231 1.00 0.00 C ATOM 1231 O GLY A 79 14.259 -2.954 14.407 1.00 0.00 O ATOM 0 H GLY A 79 15.095 -2.959 10.633 1.00 0.00 H new ATOM 0 HA2 GLY A 79 14.448 -4.744 12.303 1.00 0.00 H new ATOM 0 HA3 GLY A 79 16.000 -4.431 13.054 1.00 0.00 H new ATOM 1235 N LYS A 80 14.452 -1.672 12.560 1.00 0.00 N ATOM 1236 CA LYS A 80 13.869 -0.491 13.198 1.00 0.00 C ATOM 1237 C LYS A 80 12.419 -0.348 12.727 1.00 0.00 C ATOM 1238 O LYS A 80 12.049 -0.880 11.682 1.00 0.00 O ATOM 1239 CB LYS A 80 14.758 0.766 12.904 1.00 0.00 C ATOM 1240 CG LYS A 80 14.072 1.847 12.033 1.00 0.00 C ATOM 1241 CD LYS A 80 13.977 1.423 10.562 1.00 0.00 C ATOM 1242 CE LYS A 80 15.368 1.201 9.945 1.00 0.00 C ATOM 1243 NZ LYS A 80 16.339 2.178 10.513 1.00 0.00 N ATOM 0 H LYS A 80 14.726 -1.538 11.587 1.00 0.00 H new ATOM 0 HA LYS A 80 13.847 -0.594 14.283 1.00 0.00 H new ATOM 0 HB2 LYS A 80 15.055 1.215 13.852 1.00 0.00 H new ATOM 0 HB3 LYS A 80 15.671 0.441 12.405 1.00 0.00 H new ATOM 0 HG2 LYS A 80 13.072 2.043 12.419 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.631 2.780 12.106 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.393 0.506 10.484 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.445 2.188 9.996 1.00 0.00 H new ATOM 0 HE2 LYS A 80 15.705 0.184 10.144 1.00 0.00 H new ATOM 0 HE3 LYS A 80 15.317 1.314 8.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 17.175 2.236 9.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 15.891 3.115 10.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 16.630 1.867 11.462 1.00 0.00 H new ATOM 1257 N PRO A 81 11.590 0.324 13.474 1.00 0.00 N ATOM 1258 CA PRO A 81 10.164 0.489 13.094 1.00 0.00 C ATOM 1259 C PRO A 81 10.005 0.859 11.617 1.00 0.00 C ATOM 1260 O PRO A 81 10.934 1.356 10.980 1.00 0.00 O ATOM 1261 CB PRO A 81 9.647 1.612 14.008 1.00 0.00 C ATOM 1262 CG PRO A 81 10.621 1.712 15.156 1.00 0.00 C ATOM 1263 CD PRO A 81 11.911 0.973 14.752 1.00 0.00 C ATOM 0 HA PRO A 81 9.604 -0.438 13.217 1.00 0.00 H new ATOM 0 HB2 PRO A 81 9.587 2.556 13.467 1.00 0.00 H new ATOM 0 HB3 PRO A 81 8.643 1.387 14.369 1.00 0.00 H new ATOM 0 HG2 PRO A 81 10.835 2.756 15.384 1.00 0.00 H new ATOM 0 HG3 PRO A 81 10.195 1.270 16.057 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.746 1.665 14.645 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.199 0.240 15.506 1.00 0.00 H new ATOM 1271 N VAL A 82 8.818 0.592 11.088 1.00 0.00 N ATOM 1272 CA VAL A 82 8.511 0.873 9.679 1.00 0.00 C ATOM 1273 C VAL A 82 7.908 2.265 9.572 1.00 0.00 C ATOM 1274 O VAL A 82 7.060 2.625 10.368 1.00 0.00 O ATOM 1275 CB VAL A 82 7.496 -0.155 9.141 1.00 0.00 C ATOM 1276 CG1 VAL A 82 7.625 -0.329 7.627 1.00 0.00 C ATOM 1277 CG2 VAL A 82 7.724 -1.496 9.822 1.00 0.00 C ATOM 0 H VAL A 82 8.045 0.180 11.610 1.00 0.00 H new ATOM 0 HA VAL A 82 9.428 0.811 9.094 1.00 0.00 H new ATOM 0 HB VAL A 82 6.494 0.214 9.358 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.895 -1.061 7.281 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.443 0.626 7.134 1.00 0.00 H new ATOM 0 HG13 VAL A 82 8.629 -0.677 7.385 1.00 0.00 H new ATOM 0 HG21 VAL A 82 7.007 -2.224 9.442 1.00 0.00 H new ATOM 0 HG22 VAL A 82 8.736 -1.842 9.614 1.00 0.00 H new ATOM 0 HG23 VAL A 82 7.592 -1.385 10.898 1.00 0.00 H new ATOM 1287 N LYS A 83 8.322 3.036 8.592 1.00 0.00 N ATOM 1288 CA LYS A 83 7.780 4.359 8.421 1.00 0.00 C ATOM 1289 C LYS A 83 6.454 4.255 7.680 1.00 0.00 C ATOM 1290 O LYS A 83 6.313 3.412 6.799 1.00 0.00 O ATOM 1291 CB LYS A 83 8.768 5.201 7.621 1.00 0.00 C ATOM 1292 CG LYS A 83 10.179 5.049 8.205 1.00 0.00 C ATOM 1293 CD LYS A 83 10.189 5.448 9.684 1.00 0.00 C ATOM 1294 CE LYS A 83 11.633 5.623 10.155 1.00 0.00 C ATOM 1295 NZ LYS A 83 11.642 6.015 11.593 1.00 0.00 N ATOM 0 H LYS A 83 9.028 2.769 7.906 1.00 0.00 H new ATOM 0 HA LYS A 83 7.614 4.831 9.389 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.762 4.889 6.577 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.467 6.248 7.643 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.515 4.018 8.097 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.879 5.672 7.649 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.634 6.376 9.825 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.690 4.684 10.281 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.187 4.695 10.017 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.132 6.385 9.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.624 6.134 11.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.128 6.911 11.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.181 5.274 12.158 1.00 0.00 H new ATOM 1309 N ASN A 84 5.490 5.100 8.058 1.00 0.00 N ATOM 1310 CA ASN A 84 4.166 5.101 7.434 1.00 0.00 C ATOM 1311 C ASN A 84 3.343 3.914 7.912 1.00 0.00 C ATOM 1312 O ASN A 84 2.260 3.646 7.390 1.00 0.00 O ATOM 1313 CB ASN A 84 4.285 5.052 5.902 1.00 0.00 C ATOM 1314 CG ASN A 84 5.259 6.114 5.403 1.00 0.00 C ATOM 1315 OD1 ASN A 84 5.184 6.529 4.247 1.00 0.00 O ATOM 1316 ND2 ASN A 84 6.182 6.568 6.201 1.00 0.00 N ATOM 0 H ASN A 84 5.604 5.794 8.796 1.00 0.00 H new ATOM 0 HA ASN A 84 3.665 6.024 7.725 1.00 0.00 H new ATOM 0 HB2 ASN A 84 4.625 4.064 5.590 1.00 0.00 H new ATOM 0 HB3 ASN A 84 3.305 5.209 5.451 1.00 0.00 H new ATOM 0 HD21 ASN A 84 6.844 7.269 5.868 1.00 0.00 H new ATOM 0 HD22 ASN A 84 6.243 6.223 7.159 1.00 0.00 H new ATOM 1323 N ARG A 85 3.875 3.187 8.886 1.00 0.00 N ATOM 1324 CA ARG A 85 3.184 2.002 9.404 1.00 0.00 C ATOM 1325 C ARG A 85 1.708 2.285 9.634 1.00 0.00 C ATOM 1326 O ARG A 85 0.868 1.389 9.584 1.00 0.00 O ATOM 1327 CB ARG A 85 3.855 1.506 10.706 1.00 0.00 C ATOM 1328 CG ARG A 85 3.580 2.434 11.924 1.00 0.00 C ATOM 1329 CD ARG A 85 4.643 3.534 12.023 1.00 0.00 C ATOM 1330 NE ARG A 85 4.487 4.276 13.278 1.00 0.00 N ATOM 1331 CZ ARG A 85 5.353 4.170 14.298 1.00 0.00 C ATOM 1332 NH1 ARG A 85 6.413 3.409 14.208 1.00 0.00 N ATOM 1333 NH2 ARG A 85 5.139 4.843 15.398 1.00 0.00 N ATOM 0 H ARG A 85 4.770 3.389 9.332 1.00 0.00 H new ATOM 0 HA ARG A 85 3.261 1.214 8.655 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.497 0.502 10.933 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.931 1.432 10.548 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.592 2.885 11.828 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.574 1.845 12.841 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.639 3.093 11.974 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.553 4.214 11.176 1.00 0.00 H new ATOM 0 HE ARG A 85 3.686 4.899 13.380 1.00 0.00 H new ATOM 0 HH11 ARG A 85 6.593 2.884 13.352 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.060 3.341 14.994 1.00 0.00 H new ATOM 0 HH21 ARG A 85 4.318 5.444 15.477 1.00 0.00 H new ATOM 0 HH22 ARG A 85 5.793 4.768 16.177 1.00 0.00 H new ATOM 1347 N ASP A 86 1.408 3.541 9.879 1.00 0.00 N ATOM 1348 CA ASP A 86 0.040 3.961 10.117 1.00 0.00 C ATOM 1349 C ASP A 86 -0.746 3.997 8.817 1.00 0.00 C ATOM 1350 O ASP A 86 -1.901 3.564 8.763 1.00 0.00 O ATOM 1351 CB ASP A 86 0.027 5.347 10.761 1.00 0.00 C ATOM 1352 CG ASP A 86 -1.409 5.819 10.952 1.00 0.00 C ATOM 1353 OD1 ASP A 86 -2.305 5.006 10.791 1.00 0.00 O ATOM 1354 OD2 ASP A 86 -1.594 6.986 11.256 1.00 0.00 O ATOM 0 H ASP A 86 2.094 4.294 9.919 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.428 3.241 10.789 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.539 5.315 11.723 1.00 0.00 H new ATOM 0 HB3 ASP A 86 0.570 6.054 10.134 1.00 0.00 H new ATOM 1359 N LEU A 87 -0.110 4.492 7.762 1.00 0.00 N ATOM 1360 CA LEU A 87 -0.764 4.557 6.481 1.00 0.00 C ATOM 1361 C LEU A 87 -0.944 3.153 5.978 1.00 0.00 C ATOM 1362 O LEU A 87 -2.000 2.796 5.473 1.00 0.00 O ATOM 1363 CB LEU A 87 0.081 5.365 5.485 1.00 0.00 C ATOM 1364 CG LEU A 87 0.497 6.715 6.103 1.00 0.00 C ATOM 1365 CD1 LEU A 87 1.257 7.568 5.067 1.00 0.00 C ATOM 1366 CD2 LEU A 87 -0.743 7.482 6.572 1.00 0.00 C ATOM 0 H LEU A 87 0.846 4.848 7.777 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.730 5.052 6.583 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.968 4.797 5.206 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.488 5.536 4.571 1.00 0.00 H new ATOM 0 HG LEU A 87 1.149 6.517 6.954 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.544 8.518 5.518 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.151 7.035 4.743 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.614 7.754 4.207 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.439 8.434 7.007 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.401 7.665 5.722 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.273 6.894 7.321 1.00 0.00 H new ATOM 1378 N TRP A 88 0.105 2.364 6.151 1.00 0.00 N ATOM 1379 CA TRP A 88 0.105 0.987 5.731 1.00 0.00 C ATOM 1380 C TRP A 88 -0.931 0.163 6.475 1.00 0.00 C ATOM 1381 O TRP A 88 -1.842 -0.395 5.874 1.00 0.00 O ATOM 1382 CB TRP A 88 1.476 0.420 6.040 1.00 0.00 C ATOM 1383 CG TRP A 88 2.452 0.880 5.035 1.00 0.00 C ATOM 1384 CD1 TRP A 88 3.505 1.666 5.289 1.00 0.00 C ATOM 1385 CD2 TRP A 88 2.481 0.583 3.624 1.00 0.00 C ATOM 1386 NE1 TRP A 88 4.175 1.900 4.111 1.00 0.00 N ATOM 1387 CE2 TRP A 88 3.579 1.249 3.050 1.00 0.00 C ATOM 1388 CE3 TRP A 88 1.655 -0.186 2.797 1.00 0.00 C ATOM 1389 CZ2 TRP A 88 3.854 1.151 1.692 1.00 0.00 C ATOM 1390 CZ3 TRP A 88 1.925 -0.292 1.431 1.00 0.00 C ATOM 1391 CH2 TRP A 88 3.019 0.378 0.878 1.00 0.00 C ATOM 0 H TRP A 88 0.976 2.668 6.587 1.00 0.00 H new ATOM 0 HA TRP A 88 -0.135 0.944 4.669 1.00 0.00 H new ATOM 0 HB2 TRP A 88 1.792 0.733 7.035 1.00 0.00 H new ATOM 0 HB3 TRP A 88 1.435 -0.669 6.047 1.00 0.00 H new ATOM 0 HD1 TRP A 88 3.783 2.053 6.259 1.00 0.00 H new ATOM 0 HE1 TRP A 88 5.009 2.482 4.031 1.00 0.00 H new ATOM 0 HE3 TRP A 88 0.804 -0.701 3.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 4.704 1.666 1.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 1.287 -0.893 0.801 1.00 0.00 H new ATOM 0 HH2 TRP A 88 3.221 0.299 -0.180 1.00 0.00 H new ATOM 1402 N GLU A 89 -0.761 0.066 7.780 1.00 0.00 N ATOM 1403 CA GLU A 89 -1.676 -0.730 8.585 1.00 0.00 C ATOM 1404 C GLU A 89 -3.120 -0.347 8.291 1.00 0.00 C ATOM 1405 O GLU A 89 -4.035 -1.169 8.392 1.00 0.00 O ATOM 1406 CB GLU A 89 -1.376 -0.527 10.068 1.00 0.00 C ATOM 1407 CG GLU A 89 -0.064 -1.231 10.422 1.00 0.00 C ATOM 1408 CD GLU A 89 0.340 -0.887 11.849 1.00 0.00 C ATOM 1409 OE1 GLU A 89 -0.401 -0.165 12.495 1.00 0.00 O ATOM 1410 OE2 GLU A 89 1.385 -1.350 12.276 1.00 0.00 O ATOM 0 H GLU A 89 -0.011 0.520 8.302 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.537 -1.781 8.331 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.303 0.537 10.293 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.190 -0.926 10.673 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -0.180 -2.310 10.318 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.721 -0.927 9.729 1.00 0.00 H new ATOM 1417 N ALA A 90 -3.314 0.901 7.893 1.00 0.00 N ATOM 1418 CA ALA A 90 -4.653 1.385 7.562 1.00 0.00 C ATOM 1419 C ALA A 90 -4.993 1.014 6.131 1.00 0.00 C ATOM 1420 O ALA A 90 -6.095 0.546 5.844 1.00 0.00 O ATOM 1421 CB ALA A 90 -4.729 2.903 7.737 1.00 0.00 C ATOM 0 H ALA A 90 -2.572 1.594 7.791 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.372 0.919 8.236 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.732 3.248 7.487 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.504 3.162 8.772 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.005 3.382 7.077 1.00 0.00 H new ATOM 1427 N LEU A 91 -4.033 1.198 5.243 1.00 0.00 N ATOM 1428 CA LEU A 91 -4.222 0.854 3.859 1.00 0.00 C ATOM 1429 C LEU A 91 -4.437 -0.669 3.729 1.00 0.00 C ATOM 1430 O LEU A 91 -5.314 -1.117 2.991 1.00 0.00 O ATOM 1431 CB LEU A 91 -3.004 1.391 3.057 1.00 0.00 C ATOM 1432 CG LEU A 91 -2.643 0.467 1.898 1.00 0.00 C ATOM 1433 CD1 LEU A 91 -1.831 1.243 0.844 1.00 0.00 C ATOM 1434 CD2 LEU A 91 -1.824 -0.762 2.404 1.00 0.00 C ATOM 0 H LEU A 91 -3.115 1.585 5.463 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.116 1.317 3.442 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.230 2.386 2.673 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.146 1.494 3.722 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.565 0.102 1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.576 0.578 0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.425 2.076 0.468 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.917 1.625 1.298 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.578 -1.407 1.561 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.905 -0.417 2.877 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.417 -1.321 3.128 1.00 0.00 H new ATOM 1446 N LEU A 92 -3.642 -1.450 4.466 1.00 0.00 N ATOM 1447 CA LEU A 92 -3.753 -2.915 4.444 1.00 0.00 C ATOM 1448 C LEU A 92 -5.126 -3.351 4.934 1.00 0.00 C ATOM 1449 O LEU A 92 -5.784 -4.177 4.302 1.00 0.00 O ATOM 1450 CB LEU A 92 -2.663 -3.538 5.334 1.00 0.00 C ATOM 1451 CG LEU A 92 -2.638 -5.077 5.160 1.00 0.00 C ATOM 1452 CD1 LEU A 92 -1.858 -5.453 3.896 1.00 0.00 C ATOM 1453 CD2 LEU A 92 -1.971 -5.748 6.376 1.00 0.00 C ATOM 0 H LEU A 92 -2.914 -1.094 5.086 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.620 -3.258 3.418 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.690 -3.120 5.075 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.850 -3.287 6.378 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.668 -5.425 5.075 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.847 -6.537 3.784 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.336 -5.003 3.026 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.835 -5.086 3.977 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.963 -6.829 6.236 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.947 -5.387 6.475 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.531 -5.504 7.279 1.00 0.00 H new ATOM 1465 N LEU A 93 -5.576 -2.763 6.031 1.00 0.00 N ATOM 1466 CA LEU A 93 -6.900 -3.081 6.547 1.00 0.00 C ATOM 1467 C LEU A 93 -7.945 -2.591 5.553 1.00 0.00 C ATOM 1468 O LEU A 93 -8.977 -3.231 5.343 1.00 0.00 O ATOM 1469 CB LEU A 93 -7.112 -2.433 7.925 1.00 0.00 C ATOM 1470 CG LEU A 93 -6.662 -3.375 9.059 1.00 0.00 C ATOM 1471 CD1 LEU A 93 -5.319 -4.058 8.732 1.00 0.00 C ATOM 1472 CD2 LEU A 93 -6.522 -2.555 10.343 1.00 0.00 C ATOM 0 H LEU A 93 -5.055 -2.074 6.574 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.996 -4.160 6.671 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.552 -1.499 7.981 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.165 -2.182 8.054 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.409 -4.159 9.180 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.035 -4.714 9.555 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.422 -4.645 7.819 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.550 -3.299 8.591 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.204 -3.206 11.157 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.780 -1.770 10.195 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -7.482 -2.104 10.593 1.00 0.00 H new ATOM 1484 N ALA A 94 -7.654 -1.452 4.944 1.00 0.00 N ATOM 1485 CA ALA A 94 -8.561 -0.865 3.960 1.00 0.00 C ATOM 1486 C ALA A 94 -8.441 -1.549 2.596 1.00 0.00 C ATOM 1487 O ALA A 94 -9.304 -1.364 1.753 1.00 0.00 O ATOM 1488 CB ALA A 94 -8.284 0.631 3.805 1.00 0.00 C ATOM 0 H ALA A 94 -6.803 -0.915 5.110 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.576 -1.015 4.328 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -8.968 1.053 3.069 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.430 1.129 4.763 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -7.257 0.778 3.472 1.00 0.00 H new ATOM 1494 N MET A 95 -7.383 -2.340 2.382 1.00 0.00 N ATOM 1495 CA MET A 95 -7.194 -3.048 1.098 1.00 0.00 C ATOM 1496 C MET A 95 -7.814 -4.434 1.125 1.00 0.00 C ATOM 1497 O MET A 95 -7.786 -5.162 0.133 1.00 0.00 O ATOM 1498 CB MET A 95 -5.699 -3.167 0.759 1.00 0.00 C ATOM 1499 CG MET A 95 -5.219 -1.890 0.082 1.00 0.00 C ATOM 1500 SD MET A 95 -3.408 -1.900 -0.068 1.00 0.00 S ATOM 1501 CE MET A 95 -3.197 -3.281 -1.203 1.00 0.00 C ATOM 0 H MET A 95 -6.649 -2.509 3.069 1.00 0.00 H new ATOM 0 HA MET A 95 -7.697 -2.459 0.331 1.00 0.00 H new ATOM 0 HB2 MET A 95 -5.124 -3.346 1.668 1.00 0.00 H new ATOM 0 HB3 MET A 95 -5.533 -4.022 0.103 1.00 0.00 H new ATOM 0 HG2 MET A 95 -5.672 -1.801 -0.905 1.00 0.00 H new ATOM 0 HG3 MET A 95 -5.538 -1.022 0.659 1.00 0.00 H new ATOM 0 HE1 MET A 95 -2.143 -3.383 -1.460 1.00 0.00 H new ATOM 0 HE2 MET A 95 -3.545 -4.199 -0.728 1.00 0.00 H new ATOM 0 HE3 MET A 95 -3.776 -3.099 -2.109 1.00 0.00 H new ATOM 1511 N ALA A 96 -8.349 -4.792 2.260 1.00 0.00 N ATOM 1512 CA ALA A 96 -8.961 -6.109 2.415 1.00 0.00 C ATOM 1513 C ALA A 96 -10.277 -6.193 1.624 1.00 0.00 C ATOM 1514 O ALA A 96 -10.472 -7.130 0.849 1.00 0.00 O ATOM 1515 CB ALA A 96 -9.178 -6.429 3.915 1.00 0.00 C ATOM 0 H ALA A 96 -8.380 -4.204 3.093 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.285 -6.860 2.007 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.635 -7.414 4.015 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.218 -6.420 4.431 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -9.834 -5.678 4.356 1.00 0.00 H new ATOM 1521 N PRO A 97 -11.174 -5.251 1.798 1.00 0.00 N ATOM 1522 CA PRO A 97 -12.488 -5.245 1.075 1.00 0.00 C ATOM 1523 C PRO A 97 -12.331 -5.179 -0.451 1.00 0.00 C ATOM 1524 O PRO A 97 -13.130 -5.758 -1.188 1.00 0.00 O ATOM 1525 CB PRO A 97 -13.196 -3.981 1.608 1.00 0.00 C ATOM 1526 CG PRO A 97 -12.510 -3.672 2.897 1.00 0.00 C ATOM 1527 CD PRO A 97 -11.058 -4.085 2.691 1.00 0.00 C ATOM 0 HA PRO A 97 -13.045 -6.165 1.253 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -13.108 -3.153 0.905 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -14.261 -4.159 1.760 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -12.587 -2.612 3.139 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -12.961 -4.221 3.724 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -10.470 -3.286 2.239 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.573 -4.343 3.633 1.00 0.00 H new ATOM 1535 N HIS A 98 -11.315 -4.448 -0.916 1.00 0.00 N ATOM 1536 CA HIS A 98 -11.082 -4.286 -2.352 1.00 0.00 C ATOM 1537 C HIS A 98 -10.179 -5.367 -2.911 1.00 0.00 C ATOM 1538 O HIS A 98 -9.469 -6.054 -2.175 1.00 0.00 O ATOM 1539 CB HIS A 98 -10.435 -2.931 -2.604 1.00 0.00 C ATOM 1540 CG HIS A 98 -11.178 -1.888 -1.833 1.00 0.00 C ATOM 1541 ND1 HIS A 98 -12.508 -1.586 -2.075 1.00 0.00 N ATOM 1542 CD2 HIS A 98 -10.790 -1.085 -0.810 1.00 0.00 C ATOM 1543 CE1 HIS A 98 -12.864 -0.628 -1.201 1.00 0.00 C ATOM 1544 NE2 HIS A 98 -11.852 -0.283 -0.405 1.00 0.00 N ATOM 0 H HIS A 98 -10.644 -3.961 -0.322 1.00 0.00 H new ATOM 0 HA HIS A 98 -12.047 -4.360 -2.852 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -9.389 -2.951 -2.300 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -10.453 -2.697 -3.668 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -9.802 -1.071 -0.374 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -13.850 -0.191 -1.150 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -11.856 0.416 0.338 1.00 0.00 H new ATOM 1552 N ARG A 99 -10.197 -5.481 -4.236 1.00 0.00 N ATOM 1553 CA ARG A 99 -9.358 -6.452 -4.937 1.00 0.00 C ATOM 1554 C ARG A 99 -8.141 -5.732 -5.471 1.00 0.00 C ATOM 1555 O ARG A 99 -7.240 -6.337 -6.052 1.00 0.00 O ATOM 1556 CB ARG A 99 -10.128 -7.101 -6.085 1.00 0.00 C ATOM 1557 CG ARG A 99 -11.439 -7.707 -5.566 1.00 0.00 C ATOM 1558 CD ARG A 99 -11.151 -8.816 -4.550 1.00 0.00 C ATOM 1559 NE ARG A 99 -12.356 -9.601 -4.310 1.00 0.00 N ATOM 1560 CZ ARG A 99 -12.495 -10.327 -3.206 1.00 0.00 C ATOM 1561 NH1 ARG A 99 -11.545 -10.339 -2.311 1.00 0.00 N ATOM 1562 NH2 ARG A 99 -13.580 -11.025 -3.017 1.00 0.00 N ATOM 0 H ARG A 99 -10.783 -4.913 -4.848 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.057 -7.241 -4.247 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.341 -6.360 -6.855 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.519 -7.877 -6.549 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -12.047 -6.930 -5.103 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -12.016 -8.109 -6.399 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -10.355 -9.462 -4.921 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.799 -8.381 -3.615 1.00 0.00 H new ATOM 0 HE ARG A 99 -13.105 -9.593 -5.002 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -10.697 -9.791 -2.460 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -11.650 -10.896 -1.463 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -14.322 -11.014 -3.717 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -13.687 -11.582 -2.169 1.00 0.00 H new ATOM 1576 N VAL A 100 -8.145 -4.429 -5.218 1.00 0.00 N ATOM 1577 CA VAL A 100 -7.064 -3.512 -5.597 1.00 0.00 C ATOM 1578 C VAL A 100 -5.895 -4.218 -6.287 1.00 0.00 C ATOM 1579 O VAL A 100 -5.163 -4.995 -5.677 1.00 0.00 O ATOM 1580 CB VAL A 100 -6.569 -2.818 -4.327 1.00 0.00 C ATOM 1581 CG1 VAL A 100 -6.197 -3.879 -3.277 1.00 0.00 C ATOM 1582 CG2 VAL A 100 -5.346 -1.950 -4.647 1.00 0.00 C ATOM 0 H VAL A 100 -8.914 -3.965 -4.734 1.00 0.00 H new ATOM 0 HA VAL A 100 -7.461 -2.797 -6.318 1.00 0.00 H new ATOM 0 HB VAL A 100 -7.360 -2.180 -3.933 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -5.844 -3.386 -2.371 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -7.074 -4.483 -3.043 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -5.409 -4.521 -3.671 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.000 -1.459 -3.737 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.549 -2.577 -5.047 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.618 -1.195 -5.385 1.00 0.00 H new ATOM 1592 N ARG A 101 -5.737 -3.942 -7.570 1.00 0.00 N ATOM 1593 CA ARG A 101 -4.670 -4.543 -8.360 1.00 0.00 C ATOM 1594 C ARG A 101 -3.466 -3.610 -8.412 1.00 0.00 C ATOM 1595 O ARG A 101 -3.615 -2.389 -8.320 1.00 0.00 O ATOM 1596 CB ARG A 101 -5.201 -4.784 -9.764 1.00 0.00 C ATOM 1597 CG ARG A 101 -6.336 -5.811 -9.707 1.00 0.00 C ATOM 1598 CD ARG A 101 -7.157 -5.714 -10.990 1.00 0.00 C ATOM 1599 NE ARG A 101 -8.195 -6.736 -11.008 1.00 0.00 N ATOM 1600 CZ ARG A 101 -7.898 -8.006 -11.265 1.00 0.00 C ATOM 1601 NH1 ARG A 101 -6.662 -8.350 -11.503 1.00 0.00 N ATOM 1602 NH2 ARG A 101 -8.843 -8.905 -11.280 1.00 0.00 N ATOM 0 H ARG A 101 -6.336 -3.302 -8.091 1.00 0.00 H new ATOM 0 HA ARG A 101 -4.354 -5.483 -7.909 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -5.562 -3.850 -10.194 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -4.401 -5.145 -10.411 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -5.929 -6.816 -9.595 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -6.969 -5.625 -8.840 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -7.610 -4.725 -11.065 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -6.506 -5.833 -11.856 1.00 0.00 H new ATOM 0 HE ARG A 101 -9.163 -6.474 -10.821 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -5.925 -7.645 -11.492 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -6.433 -9.324 -11.700 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -9.808 -8.633 -11.095 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -8.616 -9.880 -11.477 1.00 0.00 H new ATOM 1616 N PHE A 102 -2.272 -4.184 -8.567 1.00 0.00 N ATOM 1617 CA PHE A 102 -1.043 -3.388 -8.634 1.00 0.00 C ATOM 1618 C PHE A 102 -0.480 -3.409 -10.052 1.00 0.00 C ATOM 1619 O PHE A 102 -0.290 -4.474 -10.641 1.00 0.00 O ATOM 1620 CB PHE A 102 0.010 -3.953 -7.676 1.00 0.00 C ATOM 1621 CG PHE A 102 -0.627 -4.277 -6.337 1.00 0.00 C ATOM 1622 CD1 PHE A 102 -1.287 -3.276 -5.607 1.00 0.00 C ATOM 1623 CD2 PHE A 102 -0.550 -5.581 -5.822 1.00 0.00 C ATOM 1624 CE1 PHE A 102 -1.867 -3.581 -4.367 1.00 0.00 C ATOM 1625 CE2 PHE A 102 -1.131 -5.883 -4.588 1.00 0.00 C ATOM 1626 CZ PHE A 102 -1.787 -4.888 -3.860 1.00 0.00 C ATOM 0 H PHE A 102 -2.129 -5.191 -8.648 1.00 0.00 H new ATOM 0 HA PHE A 102 -1.284 -2.364 -8.348 1.00 0.00 H new ATOM 0 HB2 PHE A 102 0.457 -4.851 -8.102 1.00 0.00 H new ATOM 0 HB3 PHE A 102 0.815 -3.231 -7.540 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -1.348 -2.272 -6.000 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -0.041 -6.352 -6.381 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -2.374 -2.812 -3.803 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -1.073 -6.888 -4.196 1.00 0.00 H new ATOM 0 HZ PHE A 102 -2.234 -5.124 -2.905 1.00 0.00 H new ATOM 1636 N HIS A 103 -0.205 -2.224 -10.591 1.00 0.00 N ATOM 1637 CA HIS A 103 0.350 -2.100 -11.940 1.00 0.00 C ATOM 1638 C HIS A 103 1.512 -1.115 -11.923 1.00 0.00 C ATOM 1639 O HIS A 103 1.359 0.041 -12.308 1.00 0.00 O ATOM 1640 CB HIS A 103 -0.734 -1.597 -12.905 1.00 0.00 C ATOM 1641 CG HIS A 103 -1.578 -2.750 -13.385 1.00 0.00 C ATOM 1642 ND1 HIS A 103 -1.523 -3.213 -14.690 1.00 0.00 N ATOM 1643 CD2 HIS A 103 -2.497 -3.544 -12.745 1.00 0.00 C ATOM 1644 CE1 HIS A 103 -2.385 -4.240 -14.794 1.00 0.00 C ATOM 1645 NE2 HIS A 103 -3.006 -4.485 -13.637 1.00 0.00 N ATOM 0 H HIS A 103 -0.357 -1.334 -10.116 1.00 0.00 H new ATOM 0 HA HIS A 103 0.703 -3.076 -12.274 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -1.362 -0.860 -12.405 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -0.271 -1.097 -13.755 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -2.782 -3.453 -11.707 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -2.555 -4.799 -15.703 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -3.703 -5.206 -13.448 1.00 0.00 H new ATOM 1653 N PHE A 104 2.668 -1.570 -11.470 1.00 0.00 N ATOM 1654 CA PHE A 104 3.819 -0.698 -11.404 1.00 0.00 C ATOM 1655 C PHE A 104 4.153 -0.158 -12.793 1.00 0.00 C ATOM 1656 O PHE A 104 4.739 -0.853 -13.621 1.00 0.00 O ATOM 1657 CB PHE A 104 5.019 -1.452 -10.806 1.00 0.00 C ATOM 1658 CG PHE A 104 4.531 -2.583 -9.925 1.00 0.00 C ATOM 1659 CD1 PHE A 104 3.969 -2.304 -8.674 1.00 0.00 C ATOM 1660 CD2 PHE A 104 4.637 -3.910 -10.365 1.00 0.00 C ATOM 1661 CE1 PHE A 104 3.518 -3.351 -7.860 1.00 0.00 C ATOM 1662 CE2 PHE A 104 4.186 -4.956 -9.551 1.00 0.00 C ATOM 1663 CZ PHE A 104 3.625 -4.676 -8.299 1.00 0.00 C ATOM 0 H PHE A 104 2.830 -2.524 -11.148 1.00 0.00 H new ATOM 0 HA PHE A 104 3.587 0.148 -10.757 1.00 0.00 H new ATOM 0 HB2 PHE A 104 5.646 -1.847 -11.605 1.00 0.00 H new ATOM 0 HB3 PHE A 104 5.637 -0.767 -10.225 1.00 0.00 H new ATOM 0 HD1 PHE A 104 3.883 -1.282 -8.336 1.00 0.00 H new ATOM 0 HD2 PHE A 104 5.067 -4.125 -11.332 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.087 -3.136 -6.893 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.271 -5.978 -9.889 1.00 0.00 H new ATOM 0 HZ PHE A 104 3.275 -5.482 -7.672 1.00 0.00 H new ATOM 1673 N VAL A 105 3.766 1.093 -13.028 1.00 0.00 N ATOM 1674 CA VAL A 105 4.006 1.756 -14.296 1.00 0.00 C ATOM 1675 C VAL A 105 5.301 2.552 -14.201 1.00 0.00 C ATOM 1676 O VAL A 105 5.300 3.772 -14.075 1.00 0.00 O ATOM 1677 CB VAL A 105 2.794 2.663 -14.612 1.00 0.00 C ATOM 1678 CG1 VAL A 105 3.166 3.792 -15.597 1.00 0.00 C ATOM 1679 CG2 VAL A 105 1.668 1.805 -15.214 1.00 0.00 C ATOM 0 H VAL A 105 3.278 1.670 -12.343 1.00 0.00 H new ATOM 0 HA VAL A 105 4.115 1.035 -15.106 1.00 0.00 H new ATOM 0 HB VAL A 105 2.464 3.128 -13.683 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.288 4.407 -15.794 1.00 0.00 H new ATOM 0 HG12 VAL A 105 3.952 4.410 -15.162 1.00 0.00 H new ATOM 0 HG13 VAL A 105 3.521 3.357 -16.531 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.809 2.438 -15.440 1.00 0.00 H new ATOM 0 HG22 VAL A 105 2.021 1.332 -16.130 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.374 1.036 -14.499 1.00 0.00 H new ATOM 1689 N LYS A 106 6.411 1.834 -14.275 1.00 0.00 N ATOM 1690 CA LYS A 106 7.735 2.450 -14.211 1.00 0.00 C ATOM 1691 C LYS A 106 8.423 2.358 -15.570 1.00 0.00 C ATOM 1692 O LYS A 106 9.552 2.810 -15.672 1.00 0.00 O ATOM 1693 CB LYS A 106 8.589 1.734 -13.168 1.00 0.00 C ATOM 1694 CG LYS A 106 7.987 1.920 -11.777 1.00 0.00 C ATOM 1695 CD LYS A 106 8.861 1.197 -10.752 1.00 0.00 C ATOM 1696 CE LYS A 106 8.274 1.383 -9.352 1.00 0.00 C ATOM 1697 NZ LYS A 106 9.133 0.677 -8.361 1.00 0.00 N ATOM 0 H LYS A 106 6.425 0.820 -14.380 1.00 0.00 H new ATOM 0 HA LYS A 106 7.620 3.498 -13.934 1.00 0.00 H new ATOM 0 HB2 LYS A 106 8.653 0.672 -13.406 1.00 0.00 H new ATOM 0 HB3 LYS A 106 9.606 2.127 -13.188 1.00 0.00 H new ATOM 0 HG2 LYS A 106 7.922 2.981 -11.534 1.00 0.00 H new ATOM 0 HG3 LYS A 106 6.972 1.524 -11.751 1.00 0.00 H new ATOM 0 HD2 LYS A 106 8.920 0.136 -10.994 1.00 0.00 H new ATOM 0 HD3 LYS A 106 9.878 1.589 -10.786 1.00 0.00 H new ATOM 0 HE2 LYS A 106 8.214 2.444 -9.108 1.00 0.00 H new ATOM 0 HE3 LYS A 106 7.258 0.990 -9.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 8.646 0.641 -7.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 9.321 -0.291 -8.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 10.033 1.188 -8.255 1.00 0.00 H new