USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1009 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 144 HIS :FLIP no HD1:sc= -4.51! C(o=-11!,f=-7.2!) USER MOD Set 1.2: A 148 CYS SG : rot 79:sc= -2.71! USER MOD Set 2.1: A 35 GLN :FLIP amide:sc= 0.248 F(o=-2.2,f=0.61) USER MOD Set 2.2: A 117 GLN : amide:sc= 0.362 K(o=0.61,f=-1.5!) USER MOD Set 3.1: A 86 ASN : amide:sc= -2.11! C(o=-2.1!,f=-6.7!) USER MOD Set 3.2: A 95 THR OG1 : rot 180:sc= 0.0249 USER MOD Set 4.1: A 42 HIS : no HD1:sc= -0.321 X(o=-0.35,f=-0.49) USER MOD Set 4.2: A 44 THR OG1 : rot 170:sc= -0.0307 USER MOD Single : A 11 CYS SG : rot 29:sc= -1.34 USER MOD Single : A 47 LYS NZ :NH3+ -111:sc= -0.842 (180deg=-2.77!) USER MOD Single : A 49 HIS :FLIP no HD1:sc= -0.639 F(o=-1.4,f=-0.64) USER MOD Single : A 59 THR OG1 : rot 83:sc= -2.76! USER MOD Single : A 64 THR OG1 : rot 76:sc= -6.03! USER MOD Single : A 65 GLN : amide:sc= -0.0403 K(o=-0.04,f=-2.6!) USER MOD Single : A 74 GLN : amide:sc= -0.251 K(o=-0.25,f=-1.6) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 156:sc= -0.0157 (180deg=-0.414) USER MOD Single : A 98 TYR OH : rot 172:sc= -0.766 USER MOD Single : A 104 LYS NZ :NH3+ 141:sc= 0.626 (180deg=-0.972!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 59:sc= 0.258 USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=-0.0073) USER MOD Single : A 116 HIS : no HD1:sc= -0.248 K(o=-0.25,f=-1.4) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 CYS SG : rot 180:sc= -3.27 USER MOD Single : A 129 GLN : amide:sc= -7.06! C(o=-7.1!,f=-9.8!) USER MOD Single : A 132 GLN :FLIP amide:sc= -4.24! C(o=-6!,f=-4.2!) USER MOD Single : A 134 LYS NZ :NH3+ -157:sc= -0.146 (180deg=-0.866) USER MOD Single : A 136 MET CE :methyl -154:sc= -0.919 (180deg=-2.77) USER MOD Single : A 137 LYS NZ :NH3+ -177:sc= -5.36! (180deg=-5.78!) USER MOD Single : A 141 GLN :FLIP amide:sc= -1.03 F(o=-4.1!,f=-1) USER MOD Single : A 145 GLN : amide:sc= -0.158 K(o=-0.16,f=-0.74) USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 86 N LEU A 8 7.813 -7.879 4.817 1.00 0.00 N ATOM 87 CA LEU A 8 6.516 -8.271 4.194 1.00 0.00 C ATOM 88 C LEU A 8 5.829 -7.031 3.619 1.00 0.00 C ATOM 89 O LEU A 8 5.793 -5.986 4.239 1.00 0.00 O ATOM 90 CB LEU A 8 5.602 -8.899 5.256 1.00 0.00 C ATOM 91 CG LEU A 8 6.441 -9.658 6.290 1.00 0.00 C ATOM 92 CD1 LEU A 8 7.223 -8.661 7.138 1.00 0.00 C ATOM 93 CD2 LEU A 8 5.518 -10.459 7.206 1.00 0.00 C ATOM 0 HA LEU A 8 6.705 -8.992 3.398 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.018 -8.122 5.750 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.893 -9.578 4.782 1.00 0.00 H new ATOM 0 HG LEU A 8 7.127 -10.329 5.773 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.820 -9.199 7.874 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.880 -8.074 6.496 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.528 -7.996 7.651 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.114 -10.999 7.941 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.836 -9.781 7.719 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.944 -11.170 6.612 1.00 0.00 H new ATOM 105 N ARG A 9 5.265 -7.139 2.449 1.00 0.00 N ATOM 106 CA ARG A 9 4.565 -5.970 1.851 1.00 0.00 C ATOM 107 C ARG A 9 3.133 -5.942 2.388 1.00 0.00 C ATOM 108 O ARG A 9 2.477 -6.962 2.469 1.00 0.00 O ATOM 109 CB ARG A 9 4.542 -6.106 0.325 1.00 0.00 C ATOM 110 CG ARG A 9 4.159 -4.766 -0.307 1.00 0.00 C ATOM 111 CD ARG A 9 4.119 -4.912 -1.829 1.00 0.00 C ATOM 112 NE ARG A 9 3.859 -3.581 -2.450 1.00 0.00 N ATOM 113 CZ ARG A 9 4.321 -3.311 -3.640 1.00 0.00 C ATOM 114 NH1 ARG A 9 5.017 -4.204 -4.288 1.00 0.00 N ATOM 115 NH2 ARG A 9 4.087 -2.148 -4.184 1.00 0.00 N ATOM 0 H ARG A 9 5.259 -7.986 1.881 1.00 0.00 H new ATOM 0 HA ARG A 9 5.083 -5.047 2.113 1.00 0.00 H new ATOM 0 HB2 ARG A 9 5.520 -6.423 -0.036 1.00 0.00 H new ATOM 0 HB3 ARG A 9 3.829 -6.875 0.030 1.00 0.00 H new ATOM 0 HG2 ARG A 9 3.186 -4.442 0.063 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.880 -3.999 -0.024 1.00 0.00 H new ATOM 0 HD2 ARG A 9 5.065 -5.316 -2.191 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.340 -5.618 -2.117 1.00 0.00 H new ATOM 0 HE ARG A 9 3.319 -2.880 -1.943 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.200 -5.114 -3.864 1.00 0.00 H new ATOM 0 HH12 ARG A 9 5.378 -3.993 -5.218 1.00 0.00 H new ATOM 0 HH21 ARG A 9 3.542 -1.449 -3.679 1.00 0.00 H new ATOM 0 HH22 ARG A 9 4.449 -1.938 -5.114 1.00 0.00 H new ATOM 129 N ALA A 10 2.640 -4.797 2.769 1.00 0.00 N ATOM 130 CA ALA A 10 1.254 -4.740 3.309 1.00 0.00 C ATOM 131 C ALA A 10 0.566 -3.452 2.856 1.00 0.00 C ATOM 132 O ALA A 10 1.205 -2.446 2.615 1.00 0.00 O ATOM 133 CB ALA A 10 1.302 -4.764 4.835 1.00 0.00 C ATOM 0 H ALA A 10 3.133 -3.905 2.730 1.00 0.00 H new ATOM 0 HA ALA A 10 0.695 -5.599 2.938 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.288 -4.722 5.232 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.785 -5.682 5.169 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.868 -3.905 5.195 1.00 0.00 H new ATOM 139 N CYS A 11 -0.733 -3.474 2.758 1.00 0.00 N ATOM 140 CA CYS A 11 -1.465 -2.252 2.340 1.00 0.00 C ATOM 141 C CYS A 11 -2.799 -2.184 3.084 1.00 0.00 C ATOM 142 O CYS A 11 -3.610 -3.086 3.014 1.00 0.00 O ATOM 143 CB CYS A 11 -1.721 -2.301 0.834 1.00 0.00 C ATOM 144 SG CYS A 11 -0.392 -1.431 -0.034 1.00 0.00 S ATOM 0 H CYS A 11 -1.318 -4.287 2.950 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.870 -1.370 2.576 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -1.773 -3.336 0.497 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.682 -1.842 0.603 1.00 0.00 H new ATOM 0 HG CYS A 11 0.702 -1.502 0.665 1.00 0.00 H new ATOM 150 N GLY A 12 -3.032 -1.114 3.786 1.00 0.00 N ATOM 151 CA GLY A 12 -4.315 -0.963 4.533 1.00 0.00 C ATOM 152 C GLY A 12 -4.994 0.320 4.065 1.00 0.00 C ATOM 153 O GLY A 12 -4.454 1.044 3.253 1.00 0.00 O ATOM 0 H GLY A 12 -2.386 -0.330 3.877 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -4.962 -1.822 4.354 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.127 -0.924 5.606 1.00 0.00 H new ATOM 157 N LEU A 13 -6.173 0.613 4.542 1.00 0.00 N ATOM 158 CA LEU A 13 -6.848 1.855 4.073 1.00 0.00 C ATOM 159 C LEU A 13 -7.182 2.779 5.240 1.00 0.00 C ATOM 160 O LEU A 13 -7.989 2.457 6.089 1.00 0.00 O ATOM 161 CB LEU A 13 -8.159 1.490 3.364 1.00 0.00 C ATOM 162 CG LEU A 13 -8.106 1.932 1.899 1.00 0.00 C ATOM 163 CD1 LEU A 13 -9.493 1.809 1.269 1.00 0.00 C ATOM 164 CD2 LEU A 13 -7.648 3.388 1.810 1.00 0.00 C ATOM 0 H LEU A 13 -6.690 0.057 5.224 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.166 2.367 3.394 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.325 0.414 3.422 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.999 1.970 3.866 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.402 1.293 1.366 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.449 2.125 0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.825 0.772 1.320 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.196 2.442 1.810 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.613 3.695 0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.349 4.024 2.352 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.656 3.485 2.250 1.00 0.00 H new ATOM 176 N ILE A 14 -6.628 3.960 5.247 1.00 0.00 N ATOM 177 CA ILE A 14 -6.989 4.925 6.312 1.00 0.00 C ATOM 178 C ILE A 14 -8.246 5.631 5.827 1.00 0.00 C ATOM 179 O ILE A 14 -8.218 6.430 4.913 1.00 0.00 O ATOM 180 CB ILE A 14 -5.850 5.918 6.548 1.00 0.00 C ATOM 181 CG1 ILE A 14 -4.721 5.203 7.297 1.00 0.00 C ATOM 182 CG2 ILE A 14 -6.352 7.094 7.389 1.00 0.00 C ATOM 183 CD1 ILE A 14 -3.509 6.127 7.414 1.00 0.00 C ATOM 0 H ILE A 14 -5.946 4.293 4.565 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.164 4.426 7.265 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.487 6.294 5.592 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.061 4.907 8.289 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.444 4.290 6.770 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.536 7.798 7.554 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -7.164 7.596 6.864 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.714 6.726 8.349 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.710 5.613 7.948 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.163 6.401 6.417 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.789 7.027 7.961 1.00 0.00 H new ATOM 195 N ILE A 15 -9.357 5.278 6.392 1.00 0.00 N ATOM 196 CA ILE A 15 -10.655 5.843 5.941 1.00 0.00 C ATOM 197 C ILE A 15 -11.060 7.035 6.796 1.00 0.00 C ATOM 198 O ILE A 15 -10.900 7.036 7.998 1.00 0.00 O ATOM 199 CB ILE A 15 -11.683 4.727 6.076 1.00 0.00 C ATOM 200 CG1 ILE A 15 -11.322 3.605 5.102 1.00 0.00 C ATOM 201 CG2 ILE A 15 -13.092 5.235 5.780 1.00 0.00 C ATOM 202 CD1 ILE A 15 -11.992 2.306 5.541 1.00 0.00 C ATOM 0 H ILE A 15 -9.425 4.611 7.161 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.582 6.198 4.913 1.00 0.00 H new ATOM 0 HB ILE A 15 -11.670 4.357 7.101 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -11.643 3.868 4.094 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -10.240 3.474 5.068 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -13.804 4.416 5.884 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -13.347 6.029 6.482 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -13.132 5.623 4.762 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.732 1.509 4.844 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -11.649 2.040 6.541 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -13.074 2.440 5.552 1.00 0.00 H new ATOM 214 N PHE A 16 -11.600 8.043 6.173 1.00 0.00 N ATOM 215 CA PHE A 16 -12.040 9.238 6.930 1.00 0.00 C ATOM 216 C PHE A 16 -13.393 9.711 6.393 1.00 0.00 C ATOM 217 O PHE A 16 -13.532 10.026 5.230 1.00 0.00 O ATOM 218 CB PHE A 16 -11.007 10.350 6.759 1.00 0.00 C ATOM 219 CG PHE A 16 -11.004 10.829 5.328 1.00 0.00 C ATOM 220 CD1 PHE A 16 -10.174 10.208 4.387 1.00 0.00 C ATOM 221 CD2 PHE A 16 -11.830 11.892 4.943 1.00 0.00 C ATOM 222 CE1 PHE A 16 -10.173 10.651 3.058 1.00 0.00 C ATOM 223 CE2 PHE A 16 -11.828 12.334 3.615 1.00 0.00 C ATOM 224 CZ PHE A 16 -11.000 11.715 2.673 1.00 0.00 C ATOM 0 H PHE A 16 -11.755 8.088 5.166 1.00 0.00 H new ATOM 0 HA PHE A 16 -12.137 8.988 7.987 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -11.237 11.179 7.429 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -10.017 9.984 7.032 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -9.536 9.389 4.685 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -12.469 12.371 5.671 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.535 10.172 2.330 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -12.466 13.153 3.318 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.998 12.057 1.649 1.00 0.00 H new ATOM 234 N ARG A 17 -14.387 9.776 7.234 1.00 0.00 N ATOM 235 CA ARG A 17 -15.722 10.238 6.763 1.00 0.00 C ATOM 236 C ARG A 17 -15.762 11.766 6.804 1.00 0.00 C ATOM 237 O ARG A 17 -15.631 12.370 7.851 1.00 0.00 O ATOM 238 CB ARG A 17 -16.813 9.679 7.681 1.00 0.00 C ATOM 239 CG ARG A 17 -18.192 10.143 7.199 1.00 0.00 C ATOM 240 CD ARG A 17 -18.658 9.277 6.026 1.00 0.00 C ATOM 241 NE ARG A 17 -19.920 9.836 5.461 1.00 0.00 N ATOM 242 CZ ARG A 17 -19.878 10.631 4.426 1.00 0.00 C ATOM 243 NH1 ARG A 17 -18.732 10.962 3.897 1.00 0.00 N ATOM 244 NH2 ARG A 17 -20.987 11.099 3.921 1.00 0.00 N ATOM 0 H ARG A 17 -14.333 9.530 8.223 1.00 0.00 H new ATOM 0 HA ARG A 17 -15.893 9.888 5.745 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -16.769 8.590 7.690 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -16.645 10.013 8.705 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -18.911 10.080 8.016 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -18.146 11.188 6.894 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -17.887 9.244 5.257 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -18.820 8.252 6.359 1.00 0.00 H new ATOM 0 HE ARG A 17 -20.817 9.597 5.884 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -17.864 10.599 4.292 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -18.704 11.583 3.089 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -21.884 10.844 4.335 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -20.957 11.720 3.113 1.00 0.00 H new ATOM 258 N ARG A 18 -15.949 12.397 5.679 1.00 0.00 N ATOM 259 CA ARG A 18 -16.003 13.885 5.665 1.00 0.00 C ATOM 260 C ARG A 18 -17.460 14.340 5.744 1.00 0.00 C ATOM 261 O ARG A 18 -18.344 13.728 5.178 1.00 0.00 O ATOM 262 CB ARG A 18 -15.362 14.417 4.384 1.00 0.00 C ATOM 263 CG ARG A 18 -15.371 15.945 4.415 1.00 0.00 C ATOM 264 CD ARG A 18 -14.573 16.485 3.228 1.00 0.00 C ATOM 265 NE ARG A 18 -15.268 16.123 1.959 1.00 0.00 N ATOM 266 CZ ARG A 18 -15.316 16.974 0.968 1.00 0.00 C ATOM 267 NH1 ARG A 18 -14.740 18.140 1.073 1.00 0.00 N ATOM 268 NH2 ARG A 18 -15.940 16.655 -0.133 1.00 0.00 N ATOM 0 H ARG A 18 -16.067 11.948 4.771 1.00 0.00 H new ATOM 0 HA ARG A 18 -15.454 14.275 6.522 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.340 14.049 4.295 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -15.908 14.056 3.513 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -16.396 16.314 4.376 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.939 16.303 5.350 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -14.473 17.568 3.305 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.565 16.071 3.235 1.00 0.00 H new ATOM 0 HE ARG A 18 -15.708 15.208 1.864 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -14.249 18.391 1.931 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -14.780 18.800 0.297 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -16.389 15.743 -0.219 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -15.979 17.318 -0.908 1.00 0.00 H new ATOM 434 N ILE A 29 -13.842 15.651 10.736 1.00 0.00 N ATOM 435 CA ILE A 29 -13.472 14.388 10.044 1.00 0.00 C ATOM 436 C ILE A 29 -13.300 13.250 11.045 1.00 0.00 C ATOM 437 O ILE A 29 -12.683 13.395 12.082 1.00 0.00 O ATOM 438 CB ILE A 29 -12.173 14.595 9.273 1.00 0.00 C ATOM 439 CG1 ILE A 29 -12.442 15.525 8.089 1.00 0.00 C ATOM 440 CG2 ILE A 29 -11.660 13.249 8.764 1.00 0.00 C ATOM 441 CD1 ILE A 29 -11.168 16.287 7.725 1.00 0.00 C ATOM 0 HA ILE A 29 -14.273 14.120 9.355 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.422 15.039 9.926 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -12.787 14.946 7.232 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.237 16.227 8.340 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.731 13.398 8.213 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.478 12.586 9.610 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.404 12.801 8.106 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.368 16.947 6.881 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.842 16.879 8.580 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.385 15.579 7.454 1.00 0.00 H new ATOM 453 N GLU A 30 -13.842 12.109 10.722 1.00 0.00 N ATOM 454 CA GLU A 30 -13.724 10.930 11.621 1.00 0.00 C ATOM 455 C GLU A 30 -13.065 9.794 10.837 1.00 0.00 C ATOM 456 O GLU A 30 -13.132 9.759 9.628 1.00 0.00 O ATOM 457 CB GLU A 30 -15.119 10.498 12.081 1.00 0.00 C ATOM 458 CG GLU A 30 -15.810 11.671 12.777 1.00 0.00 C ATOM 459 CD GLU A 30 -17.186 11.228 13.277 1.00 0.00 C ATOM 460 OE1 GLU A 30 -17.833 12.020 13.944 1.00 0.00 O ATOM 461 OE2 GLU A 30 -17.570 10.107 12.987 1.00 0.00 O ATOM 0 H GLU A 30 -14.367 11.943 9.864 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.124 11.179 12.496 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.710 10.169 11.226 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -15.043 9.650 12.762 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.203 12.021 13.612 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.914 12.508 12.086 1.00 0.00 H new ATOM 469 N PHE A 31 -12.421 8.874 11.505 1.00 0.00 N ATOM 470 CA PHE A 31 -11.752 7.761 10.767 1.00 0.00 C ATOM 471 C PHE A 31 -12.377 6.417 11.148 1.00 0.00 C ATOM 472 O PHE A 31 -12.895 6.245 12.234 1.00 0.00 O ATOM 473 CB PHE A 31 -10.261 7.737 11.118 1.00 0.00 C ATOM 474 CG PHE A 31 -9.612 9.038 10.702 1.00 0.00 C ATOM 475 CD1 PHE A 31 -9.153 9.207 9.389 1.00 0.00 C ATOM 476 CD2 PHE A 31 -9.462 10.073 11.633 1.00 0.00 C ATOM 477 CE1 PHE A 31 -8.544 10.411 9.008 1.00 0.00 C ATOM 478 CE2 PHE A 31 -8.857 11.276 11.250 1.00 0.00 C ATOM 479 CZ PHE A 31 -8.399 11.443 9.939 1.00 0.00 C ATOM 0 H PHE A 31 -12.329 8.844 12.520 1.00 0.00 H new ATOM 0 HA PHE A 31 -11.881 7.925 9.697 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -10.133 7.584 12.190 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -9.774 6.901 10.616 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.268 8.409 8.670 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.813 9.943 12.646 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.188 10.541 7.997 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -8.744 12.076 11.967 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.932 12.372 9.646 1.00 0.00 H new ATOM 489 N LEU A 32 -12.314 5.454 10.264 1.00 0.00 N ATOM 490 CA LEU A 32 -12.883 4.111 10.579 1.00 0.00 C ATOM 491 C LEU A 32 -11.846 3.317 11.369 1.00 0.00 C ATOM 492 O LEU A 32 -10.706 3.193 10.966 1.00 0.00 O ATOM 493 CB LEU A 32 -13.220 3.363 9.282 1.00 0.00 C ATOM 494 CG LEU A 32 -13.628 1.924 9.609 1.00 0.00 C ATOM 495 CD1 LEU A 32 -14.829 1.927 10.553 1.00 0.00 C ATOM 496 CD2 LEU A 32 -14.006 1.200 8.316 1.00 0.00 C ATOM 0 H LEU A 32 -11.893 5.541 9.339 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.796 4.228 11.163 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.029 3.871 8.758 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.358 3.364 8.615 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.793 1.414 10.089 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.114 0.900 10.782 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.565 2.445 11.475 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.665 2.438 10.076 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.297 0.175 8.545 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -14.840 1.716 7.840 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.151 1.192 7.640 1.00 0.00 H new ATOM 508 N LEU A 33 -12.232 2.785 12.495 1.00 0.00 N ATOM 509 CA LEU A 33 -11.269 2.002 13.317 1.00 0.00 C ATOM 510 C LEU A 33 -11.873 0.642 13.663 1.00 0.00 C ATOM 511 O LEU A 33 -13.004 0.545 14.092 1.00 0.00 O ATOM 512 CB LEU A 33 -10.956 2.773 14.602 1.00 0.00 C ATOM 513 CG LEU A 33 -9.817 3.755 14.335 1.00 0.00 C ATOM 514 CD1 LEU A 33 -9.748 4.777 15.470 1.00 0.00 C ATOM 515 CD2 LEU A 33 -8.491 2.992 14.259 1.00 0.00 C ATOM 0 H LEU A 33 -13.173 2.859 12.881 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.349 1.849 12.753 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.842 3.309 14.943 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.677 2.081 15.396 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.997 4.269 13.391 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.935 5.478 15.280 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.691 5.321 15.527 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.569 4.261 16.413 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.678 3.693 14.068 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.313 2.478 15.203 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.537 2.262 13.451 1.00 0.00 H new ATOM 527 N LEU A 34 -11.122 -0.408 13.475 1.00 0.00 N ATOM 528 CA LEU A 34 -11.645 -1.766 13.787 1.00 0.00 C ATOM 529 C LEU A 34 -10.982 -2.286 15.066 1.00 0.00 C ATOM 530 O LEU A 34 -9.815 -2.056 15.307 1.00 0.00 O ATOM 531 CB LEU A 34 -11.328 -2.703 12.619 1.00 0.00 C ATOM 532 CG LEU A 34 -11.806 -2.062 11.315 1.00 0.00 C ATOM 533 CD1 LEU A 34 -11.534 -3.006 10.144 1.00 0.00 C ATOM 534 CD2 LEU A 34 -13.307 -1.792 11.404 1.00 0.00 C ATOM 0 H LEU A 34 -10.167 -0.383 13.118 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.724 -1.723 13.937 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.256 -2.895 12.572 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.818 -3.665 12.766 1.00 0.00 H new ATOM 0 HG LEU A 34 -11.270 -1.126 11.158 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -11.876 -2.545 9.218 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -10.464 -3.204 10.077 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -12.067 -3.944 10.301 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -13.650 -1.335 10.476 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -13.837 -2.731 11.564 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -13.507 -1.117 12.236 1.00 0.00 H new ATOM 546 N GLN A 35 -11.717 -2.979 15.891 1.00 0.00 N ATOM 547 CA GLN A 35 -11.128 -3.506 17.155 1.00 0.00 C ATOM 548 C GLN A 35 -10.785 -4.985 16.986 1.00 0.00 C ATOM 549 O GLN A 35 -11.615 -5.782 16.603 1.00 0.00 O ATOM 550 CB GLN A 35 -12.140 -3.355 18.288 1.00 0.00 C ATOM 551 CG GLN A 35 -11.490 -3.766 19.612 1.00 0.00 C ATOM 552 CD GLN A 35 -12.516 -3.649 20.741 1.00 0.00 C ATOM 553 OE1 GLN A 35 -13.171 -4.710 21.122 1.00 0.00 O flip ATOM 554 NE2 GLN A 35 -12.725 -2.579 21.281 1.00 0.00 N flip ATOM 0 H GLN A 35 -12.701 -3.204 15.745 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.223 -2.946 17.390 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -12.486 -2.323 18.346 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.015 -3.974 18.093 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -11.121 -4.789 19.546 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.630 -3.130 19.820 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -12.213 -1.749 20.983 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -13.412 -2.512 22.032 1.00 0.00 H new ATOM 641 N HIS A 42 -6.420 -3.730 20.319 1.00 0.00 N ATOM 642 CA HIS A 42 -5.947 -2.409 19.815 1.00 0.00 C ATOM 643 C HIS A 42 -6.812 -1.978 18.627 1.00 0.00 C ATOM 644 O HIS A 42 -7.461 -2.787 17.994 1.00 0.00 O ATOM 645 CB HIS A 42 -4.491 -2.530 19.364 1.00 0.00 C ATOM 646 CG HIS A 42 -4.385 -3.584 18.296 1.00 0.00 C ATOM 647 ND1 HIS A 42 -4.436 -4.940 18.587 1.00 0.00 N ATOM 648 CD2 HIS A 42 -4.240 -3.498 16.932 1.00 0.00 C ATOM 649 CE1 HIS A 42 -4.320 -5.609 17.425 1.00 0.00 C ATOM 650 NE2 HIS A 42 -4.199 -4.776 16.389 1.00 0.00 N ATOM 0 HA HIS A 42 -6.023 -1.667 20.610 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -4.136 -1.573 18.982 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.857 -2.790 20.211 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -4.169 -2.579 16.369 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -4.324 -6.686 17.341 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -4.098 -5.025 15.405 1.00 0.00 H new ATOM 659 N TRP A 43 -6.825 -0.709 18.318 1.00 0.00 N ATOM 660 CA TRP A 43 -7.650 -0.233 17.172 1.00 0.00 C ATOM 661 C TRP A 43 -6.746 0.058 15.972 1.00 0.00 C ATOM 662 O TRP A 43 -5.737 0.724 16.090 1.00 0.00 O ATOM 663 CB TRP A 43 -8.378 1.048 17.570 1.00 0.00 C ATOM 664 CG TRP A 43 -9.247 0.785 18.760 1.00 0.00 C ATOM 665 CD1 TRP A 43 -8.827 0.779 20.046 1.00 0.00 C ATOM 666 CD2 TRP A 43 -10.674 0.492 18.796 1.00 0.00 C ATOM 667 NE1 TRP A 43 -9.905 0.505 20.869 1.00 0.00 N ATOM 668 CE2 TRP A 43 -11.066 0.320 20.144 1.00 0.00 C ATOM 669 CE3 TRP A 43 -11.656 0.362 17.799 1.00 0.00 C ATOM 670 CZ2 TRP A 43 -12.385 0.030 20.491 1.00 0.00 C ATOM 671 CZ3 TRP A 43 -12.984 0.069 18.144 1.00 0.00 C ATOM 672 CH2 TRP A 43 -13.348 -0.097 19.488 1.00 0.00 C ATOM 0 H TRP A 43 -6.301 0.016 18.808 1.00 0.00 H new ATOM 0 HA TRP A 43 -8.374 -1.003 16.906 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.656 1.831 17.801 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.983 1.407 16.738 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.815 0.959 20.377 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -9.849 0.447 21.886 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -11.387 0.488 16.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -12.660 -0.095 21.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -13.730 -0.029 17.370 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -14.372 -0.323 19.747 1.00 0.00 H new ATOM 683 N THR A 44 -7.107 -0.426 14.816 1.00 0.00 N ATOM 684 CA THR A 44 -6.276 -0.168 13.605 1.00 0.00 C ATOM 685 C THR A 44 -7.161 -0.283 12.361 1.00 0.00 C ATOM 686 O THR A 44 -8.103 -1.050 12.334 1.00 0.00 O ATOM 687 CB THR A 44 -5.147 -1.201 13.527 1.00 0.00 C ATOM 688 OG1 THR A 44 -5.439 -2.285 14.397 1.00 0.00 O ATOM 689 CG2 THR A 44 -3.823 -0.556 13.944 1.00 0.00 C ATOM 0 H THR A 44 -7.942 -0.990 14.657 1.00 0.00 H new ATOM 0 HA THR A 44 -5.844 0.831 13.661 1.00 0.00 H new ATOM 0 HB THR A 44 -5.062 -1.565 12.503 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.808 -3.016 14.232 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.024 -1.295 13.887 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.597 0.275 13.276 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.904 -0.188 14.967 1.00 0.00 H new ATOM 697 N PRO A 45 -6.860 0.469 11.334 1.00 0.00 N ATOM 698 CA PRO A 45 -7.646 0.443 10.066 1.00 0.00 C ATOM 699 C PRO A 45 -7.502 -0.898 9.344 1.00 0.00 C ATOM 700 O PRO A 45 -6.612 -1.666 9.631 1.00 0.00 O ATOM 701 CB PRO A 45 -7.042 1.573 9.226 1.00 0.00 C ATOM 702 CG PRO A 45 -5.683 1.818 9.794 1.00 0.00 C ATOM 703 CD PRO A 45 -5.742 1.419 11.269 1.00 0.00 C ATOM 0 HA PRO A 45 -8.714 0.571 10.245 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.982 1.290 8.175 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -7.656 2.472 9.279 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.931 1.232 9.265 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.403 2.866 9.688 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.809 0.961 11.596 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.915 2.283 11.910 1.00 0.00 H new ATOM 711 N PRO A 46 -8.376 -1.183 8.418 1.00 0.00 N ATOM 712 CA PRO A 46 -8.340 -2.457 7.649 1.00 0.00 C ATOM 713 C PRO A 46 -6.931 -2.797 7.149 1.00 0.00 C ATOM 714 O PRO A 46 -6.488 -2.301 6.131 1.00 0.00 O ATOM 715 CB PRO A 46 -9.271 -2.196 6.467 1.00 0.00 C ATOM 716 CG PRO A 46 -10.222 -1.143 6.934 1.00 0.00 C ATOM 717 CD PRO A 46 -9.493 -0.320 7.998 1.00 0.00 C ATOM 0 HA PRO A 46 -8.640 -3.305 8.264 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.712 -1.861 5.594 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.801 -3.103 6.177 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -10.534 -0.510 6.104 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -11.124 -1.594 7.347 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.135 0.627 7.593 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -10.149 -0.081 8.835 1.00 0.00 H new ATOM 725 N LYS A 47 -6.226 -3.648 7.850 1.00 0.00 N ATOM 726 CA LYS A 47 -4.853 -4.022 7.402 1.00 0.00 C ATOM 727 C LYS A 47 -4.902 -5.373 6.690 1.00 0.00 C ATOM 728 O LYS A 47 -5.582 -6.286 7.117 1.00 0.00 O ATOM 729 CB LYS A 47 -3.917 -4.121 8.608 1.00 0.00 C ATOM 730 CG LYS A 47 -3.761 -2.746 9.261 1.00 0.00 C ATOM 731 CD LYS A 47 -2.581 -2.774 10.235 1.00 0.00 C ATOM 732 CE LYS A 47 -2.890 -3.736 11.384 1.00 0.00 C ATOM 733 NZ LYS A 47 -2.448 -5.110 11.012 1.00 0.00 N ATOM 0 H LYS A 47 -6.541 -4.098 8.710 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.480 -3.258 6.720 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.315 -4.833 9.331 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.943 -4.496 8.294 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.598 -1.985 8.497 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.676 -2.477 9.789 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.675 -3.089 9.717 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.394 -1.773 10.625 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.381 -3.412 12.291 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.959 -3.732 11.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.281 -5.717 10.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.898 -5.071 10.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.856 -5.502 11.772 1.00 0.00 H new ATOM 747 N GLY A 48 -4.185 -5.511 5.610 1.00 0.00 N ATOM 748 CA GLY A 48 -4.188 -6.807 4.874 1.00 0.00 C ATOM 749 C GLY A 48 -2.833 -7.011 4.196 1.00 0.00 C ATOM 750 O GLY A 48 -1.940 -6.197 4.315 1.00 0.00 O ATOM 0 H GLY A 48 -3.597 -4.783 5.205 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.390 -7.628 5.562 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.984 -6.813 4.129 1.00 0.00 H new ATOM 754 N HIS A 49 -2.676 -8.090 3.483 1.00 0.00 N ATOM 755 CA HIS A 49 -1.379 -8.347 2.794 1.00 0.00 C ATOM 756 C HIS A 49 -1.590 -8.274 1.281 1.00 0.00 C ATOM 757 O HIS A 49 -2.564 -8.779 0.755 1.00 0.00 O ATOM 758 CB HIS A 49 -0.860 -9.734 3.173 1.00 0.00 C ATOM 759 CG HIS A 49 0.479 -9.961 2.526 1.00 0.00 C ATOM 760 ND1 HIS A 49 1.753 -9.619 2.909 1.00 0.00 N flip ATOM 761 CD2 HIS A 49 0.612 -10.623 1.314 1.00 0.00 C flip ATOM 762 CE1 HIS A 49 2.658 -10.059 1.951 1.00 0.00 C flip ATOM 763 NE2 HIS A 49 1.923 -10.658 1.012 1.00 0.00 N flip ATOM 0 H HIS A 49 -3.389 -8.806 3.347 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.649 -7.597 3.099 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -0.772 -9.818 4.256 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -1.566 -10.499 2.851 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.191 -11.035 0.721 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.731 -9.941 1.964 1.00 0.00 H new ATOM 0 HE2 HIS A 49 2.307 -11.088 0.171 1.00 0.00 H new ATOM 772 N VAL A 50 -0.694 -7.642 0.575 1.00 0.00 N ATOM 773 CA VAL A 50 -0.856 -7.534 -0.902 1.00 0.00 C ATOM 774 C VAL A 50 -0.179 -8.723 -1.587 1.00 0.00 C ATOM 775 O VAL A 50 0.920 -9.114 -1.245 1.00 0.00 O ATOM 776 CB VAL A 50 -0.229 -6.221 -1.390 1.00 0.00 C ATOM 777 CG1 VAL A 50 0.611 -5.604 -0.273 1.00 0.00 C ATOM 778 CG2 VAL A 50 0.654 -6.491 -2.613 1.00 0.00 C ATOM 0 H VAL A 50 0.141 -7.197 0.955 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.917 -7.541 -1.152 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.022 -5.527 -1.668 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.054 -4.672 -0.624 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.023 -5.402 0.590 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.402 -6.297 0.013 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.097 -5.556 -2.956 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.446 -7.190 -2.343 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.048 -6.920 -3.411 1.00 0.00 H new ATOM 788 N GLU A 51 -0.834 -9.293 -2.559 1.00 0.00 N ATOM 789 CA GLU A 51 -0.256 -10.452 -3.297 1.00 0.00 C ATOM 790 C GLU A 51 0.907 -9.953 -4.172 1.00 0.00 C ATOM 791 O GLU A 51 1.277 -8.796 -4.104 1.00 0.00 O ATOM 792 CB GLU A 51 -1.359 -11.068 -4.162 1.00 0.00 C ATOM 793 CG GLU A 51 -1.590 -12.535 -3.781 1.00 0.00 C ATOM 794 CD GLU A 51 -2.176 -13.281 -4.982 1.00 0.00 C ATOM 795 OE1 GLU A 51 -3.208 -12.854 -5.473 1.00 0.00 O ATOM 796 OE2 GLU A 51 -1.582 -14.266 -5.390 1.00 0.00 O ATOM 0 H GLU A 51 -1.758 -9.002 -2.878 1.00 0.00 H new ATOM 0 HA GLU A 51 0.124 -11.207 -2.608 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.284 -10.505 -4.037 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.084 -10.999 -5.214 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.651 -12.996 -3.475 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.269 -12.600 -2.931 1.00 0.00 H new ATOM 804 N PRO A 52 1.492 -10.807 -4.982 1.00 0.00 N ATOM 805 CA PRO A 52 2.637 -10.418 -5.854 1.00 0.00 C ATOM 806 C PRO A 52 2.191 -9.574 -7.052 1.00 0.00 C ATOM 807 O PRO A 52 2.458 -8.390 -7.121 1.00 0.00 O ATOM 808 CB PRO A 52 3.210 -11.754 -6.323 1.00 0.00 C ATOM 809 CG PRO A 52 2.073 -12.718 -6.259 1.00 0.00 C ATOM 810 CD PRO A 52 1.132 -12.224 -5.158 1.00 0.00 C ATOM 0 HA PRO A 52 3.360 -9.800 -5.321 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.604 -11.678 -7.336 1.00 0.00 H new ATOM 0 HB3 PRO A 52 4.033 -12.074 -5.684 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.554 -12.767 -7.216 1.00 0.00 H new ATOM 0 HG3 PRO A 52 2.431 -13.723 -6.038 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.087 -12.336 -5.448 1.00 0.00 H new ATOM 0 HD3 PRO A 52 1.269 -12.787 -4.235 1.00 0.00 H new ATOM 818 N GLY A 53 1.505 -10.169 -7.990 1.00 0.00 N ATOM 819 CA GLY A 53 1.038 -9.391 -9.173 1.00 0.00 C ATOM 820 C GLY A 53 -0.186 -8.570 -8.768 1.00 0.00 C ATOM 821 O GLY A 53 -0.920 -8.076 -9.598 1.00 0.00 O ATOM 0 H GLY A 53 1.249 -11.156 -7.989 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.831 -8.735 -9.531 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.787 -10.064 -9.993 1.00 0.00 H new ATOM 825 N GLU A 54 -0.411 -8.429 -7.489 1.00 0.00 N ATOM 826 CA GLU A 54 -1.589 -7.650 -7.015 1.00 0.00 C ATOM 827 C GLU A 54 -1.207 -6.179 -6.868 1.00 0.00 C ATOM 828 O GLU A 54 -0.064 -5.845 -6.621 1.00 0.00 O ATOM 829 CB GLU A 54 -2.043 -8.187 -5.657 1.00 0.00 C ATOM 830 CG GLU A 54 -3.376 -7.546 -5.275 1.00 0.00 C ATOM 831 CD GLU A 54 -3.757 -7.957 -3.851 1.00 0.00 C ATOM 832 OE1 GLU A 54 -4.859 -7.633 -3.437 1.00 0.00 O ATOM 833 OE2 GLU A 54 -2.941 -8.581 -3.198 1.00 0.00 O ATOM 0 H GLU A 54 0.173 -8.822 -6.751 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.398 -7.747 -7.739 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.148 -9.271 -5.699 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.292 -7.969 -4.898 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.301 -6.461 -5.343 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.153 -7.856 -5.974 1.00 0.00 H new ATOM 841 N ASP A 55 -2.152 -5.297 -7.020 1.00 0.00 N ATOM 842 CA ASP A 55 -1.841 -3.849 -6.889 1.00 0.00 C ATOM 843 C ASP A 55 -1.696 -3.480 -5.417 1.00 0.00 C ATOM 844 O ASP A 55 -2.134 -4.191 -4.534 1.00 0.00 O ATOM 845 CB ASP A 55 -2.964 -3.016 -7.493 1.00 0.00 C ATOM 846 CG ASP A 55 -2.520 -1.556 -7.600 1.00 0.00 C ATOM 847 OD1 ASP A 55 -1.413 -1.262 -7.181 1.00 0.00 O ATOM 848 OD2 ASP A 55 -3.293 -0.756 -8.100 1.00 0.00 O ATOM 0 H ASP A 55 -3.126 -5.516 -7.229 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.908 -3.646 -7.416 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.225 -3.400 -8.479 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.858 -3.090 -6.874 1.00 0.00 H new ATOM 854 N ASP A 56 -1.079 -2.368 -5.156 1.00 0.00 N ATOM 855 CA ASP A 56 -0.890 -1.927 -3.748 1.00 0.00 C ATOM 856 C ASP A 56 -2.205 -1.376 -3.189 1.00 0.00 C ATOM 857 O ASP A 56 -2.697 -1.828 -2.173 1.00 0.00 O ATOM 858 CB ASP A 56 0.175 -0.832 -3.707 1.00 0.00 C ATOM 859 CG ASP A 56 1.496 -1.386 -4.242 1.00 0.00 C ATOM 860 OD1 ASP A 56 1.651 -2.596 -4.243 1.00 0.00 O ATOM 861 OD2 ASP A 56 2.328 -0.592 -4.645 1.00 0.00 O ATOM 0 H ASP A 56 -0.694 -1.739 -5.861 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.575 -2.777 -3.143 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.143 0.022 -4.306 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.305 -0.474 -2.686 1.00 0.00 H new ATOM 867 N LEU A 57 -2.777 -0.398 -3.840 1.00 0.00 N ATOM 868 CA LEU A 57 -4.059 0.187 -3.345 1.00 0.00 C ATOM 869 C LEU A 57 -5.171 -0.863 -3.390 1.00 0.00 C ATOM 870 O LEU A 57 -5.952 -0.988 -2.468 1.00 0.00 O ATOM 871 CB LEU A 57 -4.444 1.380 -4.226 1.00 0.00 C ATOM 872 CG LEU A 57 -5.785 1.958 -3.762 1.00 0.00 C ATOM 873 CD1 LEU A 57 -5.693 2.383 -2.295 1.00 0.00 C ATOM 874 CD2 LEU A 57 -6.131 3.180 -4.614 1.00 0.00 C ATOM 0 H LEU A 57 -2.412 0.022 -4.695 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.927 0.517 -2.314 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.670 2.146 -4.175 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.514 1.067 -5.268 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.557 1.196 -3.870 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.651 2.793 -1.974 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.444 1.518 -1.680 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.918 3.142 -2.184 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.085 3.594 -4.286 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.351 3.934 -4.503 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.204 2.885 -5.661 1.00 0.00 H new ATOM 886 N GLU A 58 -5.252 -1.623 -4.449 1.00 0.00 N ATOM 887 CA GLU A 58 -6.325 -2.655 -4.539 1.00 0.00 C ATOM 888 C GLU A 58 -6.259 -3.551 -3.308 1.00 0.00 C ATOM 889 O GLU A 58 -7.271 -3.897 -2.730 1.00 0.00 O ATOM 890 CB GLU A 58 -6.116 -3.502 -5.796 1.00 0.00 C ATOM 891 CG GLU A 58 -6.493 -2.694 -7.045 1.00 0.00 C ATOM 892 CD GLU A 58 -5.776 -1.338 -7.051 1.00 0.00 C ATOM 893 OE1 GLU A 58 -6.279 -0.430 -7.692 1.00 0.00 O ATOM 894 OE2 GLU A 58 -4.738 -1.229 -6.423 1.00 0.00 O ATOM 0 H GLU A 58 -4.625 -1.575 -5.252 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.299 -2.168 -4.589 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.076 -3.821 -5.860 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.724 -4.405 -5.741 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.228 -3.255 -7.941 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.572 -2.541 -7.073 1.00 0.00 H new ATOM 902 N THR A 59 -5.080 -3.910 -2.878 1.00 0.00 N ATOM 903 CA THR A 59 -4.984 -4.756 -1.660 1.00 0.00 C ATOM 904 C THR A 59 -5.654 -4.003 -0.520 1.00 0.00 C ATOM 905 O THR A 59 -6.402 -4.564 0.256 1.00 0.00 O ATOM 906 CB THR A 59 -3.515 -5.031 -1.327 1.00 0.00 C ATOM 907 OG1 THR A 59 -2.943 -5.796 -2.376 1.00 0.00 O ATOM 908 CG2 THR A 59 -3.420 -5.806 -0.009 1.00 0.00 C ATOM 0 H THR A 59 -4.192 -3.657 -3.312 1.00 0.00 H new ATOM 0 HA THR A 59 -5.477 -5.715 -1.819 1.00 0.00 H new ATOM 0 HB THR A 59 -2.977 -4.089 -1.222 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.662 -5.199 -3.100 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.373 -6.000 0.224 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.868 -5.218 0.792 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.952 -6.753 -0.104 1.00 0.00 H new ATOM 916 N ALA A 60 -5.421 -2.722 -0.434 1.00 0.00 N ATOM 917 CA ALA A 60 -6.077 -1.924 0.632 1.00 0.00 C ATOM 918 C ALA A 60 -7.581 -1.932 0.355 1.00 0.00 C ATOM 919 O ALA A 60 -8.388 -2.116 1.244 1.00 0.00 O ATOM 920 CB ALA A 60 -5.558 -0.486 0.595 1.00 0.00 C ATOM 0 H ALA A 60 -4.806 -2.197 -1.056 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.862 -2.347 1.614 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.042 0.096 1.379 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.480 -0.484 0.755 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.781 -0.043 -0.376 1.00 0.00 H new ATOM 926 N LEU A 61 -7.957 -1.752 -0.884 1.00 0.00 N ATOM 927 CA LEU A 61 -9.402 -1.760 -1.247 1.00 0.00 C ATOM 928 C LEU A 61 -10.008 -3.104 -0.853 1.00 0.00 C ATOM 929 O LEU A 61 -11.009 -3.178 -0.170 1.00 0.00 O ATOM 930 CB LEU A 61 -9.533 -1.605 -2.761 1.00 0.00 C ATOM 931 CG LEU A 61 -8.893 -0.296 -3.205 1.00 0.00 C ATOM 932 CD1 LEU A 61 -8.967 -0.199 -4.727 1.00 0.00 C ATOM 933 CD2 LEU A 61 -9.646 0.877 -2.576 1.00 0.00 C ATOM 0 H LEU A 61 -7.319 -1.599 -1.665 1.00 0.00 H new ATOM 0 HA LEU A 61 -9.914 -0.947 -0.733 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -9.052 -2.444 -3.264 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -10.585 -1.621 -3.047 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.851 -0.265 -2.886 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.511 0.735 -5.055 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.433 -1.039 -5.172 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -10.010 -0.224 -5.043 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -9.189 1.815 -2.893 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -10.688 0.854 -2.896 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -9.599 0.799 -1.490 1.00 0.00 H new ATOM 945 N ARG A 62 -9.393 -4.167 -1.287 1.00 0.00 N ATOM 946 CA ARG A 62 -9.910 -5.521 -0.954 1.00 0.00 C ATOM 947 C ARG A 62 -9.864 -5.712 0.561 1.00 0.00 C ATOM 948 O ARG A 62 -10.786 -6.225 1.161 1.00 0.00 O ATOM 949 CB ARG A 62 -9.031 -6.572 -1.637 1.00 0.00 C ATOM 950 CG ARG A 62 -9.654 -7.957 -1.465 1.00 0.00 C ATOM 951 CD ARG A 62 -8.702 -9.010 -2.032 1.00 0.00 C ATOM 952 NE ARG A 62 -8.512 -8.777 -3.492 1.00 0.00 N ATOM 953 CZ ARG A 62 -9.257 -9.408 -4.361 1.00 0.00 C ATOM 954 NH1 ARG A 62 -10.179 -10.235 -3.954 1.00 0.00 N ATOM 955 NH2 ARG A 62 -9.079 -9.207 -5.639 1.00 0.00 N ATOM 0 H ARG A 62 -8.550 -4.156 -1.861 1.00 0.00 H new ATOM 0 HA ARG A 62 -10.938 -5.628 -1.301 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.926 -6.339 -2.697 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.030 -6.557 -1.207 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.847 -8.154 -0.410 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -10.614 -8.003 -1.979 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.742 -8.962 -1.518 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -9.105 -10.008 -1.862 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.798 -8.123 -3.814 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -10.320 -10.391 -2.956 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.759 -10.726 -4.634 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.359 -8.558 -5.958 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.660 -9.699 -6.318 1.00 0.00 H new ATOM 969 N ALA A 63 -8.799 -5.291 1.186 1.00 0.00 N ATOM 970 CA ALA A 63 -8.696 -5.440 2.665 1.00 0.00 C ATOM 971 C ALA A 63 -9.728 -4.534 3.337 1.00 0.00 C ATOM 972 O ALA A 63 -10.266 -4.852 4.377 1.00 0.00 O ATOM 973 CB ALA A 63 -7.290 -5.038 3.118 1.00 0.00 C ATOM 0 H ALA A 63 -7.996 -4.851 0.737 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.885 -6.477 2.944 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.212 -5.146 4.200 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.554 -5.681 2.635 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.102 -4.000 2.842 1.00 0.00 H new ATOM 979 N THR A 64 -10.003 -3.405 2.749 1.00 0.00 N ATOM 980 CA THR A 64 -10.992 -2.469 3.350 1.00 0.00 C ATOM 981 C THR A 64 -12.357 -3.150 3.461 1.00 0.00 C ATOM 982 O THR A 64 -13.014 -3.081 4.480 1.00 0.00 O ATOM 983 CB THR A 64 -11.118 -1.237 2.452 1.00 0.00 C ATOM 984 OG1 THR A 64 -9.825 -0.707 2.200 1.00 0.00 O ATOM 985 CG2 THR A 64 -11.969 -0.178 3.146 1.00 0.00 C ATOM 0 H THR A 64 -9.584 -3.089 1.875 1.00 0.00 H new ATOM 0 HA THR A 64 -10.656 -2.178 4.345 1.00 0.00 H new ATOM 0 HB THR A 64 -11.591 -1.522 1.512 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.364 -1.268 1.542 1.00 0.00 H new ATOM 0 HG21 THR A 64 -12.056 0.698 2.503 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.962 -0.582 3.345 1.00 0.00 H new ATOM 0 HG23 THR A 64 -11.498 0.108 4.087 1.00 0.00 H new ATOM 993 N GLN A 65 -12.796 -3.792 2.416 1.00 0.00 N ATOM 994 CA GLN A 65 -14.124 -4.465 2.456 1.00 0.00 C ATOM 995 C GLN A 65 -14.021 -5.809 3.188 1.00 0.00 C ATOM 996 O GLN A 65 -14.931 -6.209 3.887 1.00 0.00 O ATOM 997 CB GLN A 65 -14.625 -4.672 1.024 1.00 0.00 C ATOM 998 CG GLN A 65 -15.267 -6.054 0.885 1.00 0.00 C ATOM 999 CD GLN A 65 -16.017 -6.131 -0.448 1.00 0.00 C ATOM 1000 OE1 GLN A 65 -16.304 -5.120 -1.055 1.00 0.00 O ATOM 1001 NE2 GLN A 65 -16.346 -7.297 -0.932 1.00 0.00 N ATOM 0 H GLN A 65 -12.292 -3.880 1.534 1.00 0.00 H new ATOM 0 HA GLN A 65 -14.831 -3.838 2.999 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -15.350 -3.899 0.769 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.796 -4.576 0.323 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -14.502 -6.829 0.931 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -15.953 -6.234 1.713 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -16.105 -8.147 -0.422 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -16.844 -7.358 -1.820 1.00 0.00 H new ATOM 1010 N GLU A 66 -12.933 -6.512 3.036 1.00 0.00 N ATOM 1011 CA GLU A 66 -12.802 -7.827 3.730 1.00 0.00 C ATOM 1012 C GLU A 66 -12.828 -7.624 5.249 1.00 0.00 C ATOM 1013 O GLU A 66 -13.415 -8.401 5.975 1.00 0.00 O ATOM 1014 CB GLU A 66 -11.482 -8.491 3.328 1.00 0.00 C ATOM 1015 CG GLU A 66 -11.568 -8.966 1.874 1.00 0.00 C ATOM 1016 CD GLU A 66 -12.624 -10.064 1.755 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -13.059 -10.324 0.645 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -12.982 -10.628 2.777 1.00 0.00 O ATOM 0 H GLU A 66 -12.133 -6.237 2.466 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.636 -8.466 3.440 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.659 -7.786 3.443 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.273 -9.335 3.985 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.823 -8.130 1.222 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.599 -9.342 1.546 1.00 0.00 H new ATOM 1026 N GLU A 67 -12.194 -6.593 5.739 1.00 0.00 N ATOM 1027 CA GLU A 67 -12.187 -6.360 7.212 1.00 0.00 C ATOM 1028 C GLU A 67 -13.179 -5.254 7.587 1.00 0.00 C ATOM 1029 O GLU A 67 -13.315 -4.906 8.742 1.00 0.00 O ATOM 1030 CB GLU A 67 -10.785 -5.940 7.660 1.00 0.00 C ATOM 1031 CG GLU A 67 -9.788 -7.061 7.361 1.00 0.00 C ATOM 1032 CD GLU A 67 -8.408 -6.669 7.891 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -7.513 -7.496 7.830 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -8.267 -5.547 8.351 1.00 0.00 O ATOM 0 H GLU A 67 -11.683 -5.905 5.186 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.478 -7.286 7.708 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.486 -5.028 7.144 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.786 -5.717 8.727 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.118 -7.990 7.826 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.739 -7.242 6.287 1.00 0.00 H new ATOM 1042 N ALA A 68 -13.868 -4.688 6.633 1.00 0.00 N ATOM 1043 CA ALA A 68 -14.829 -3.598 6.971 1.00 0.00 C ATOM 1044 C ALA A 68 -16.083 -3.702 6.102 1.00 0.00 C ATOM 1045 O ALA A 68 -17.139 -3.235 6.472 1.00 0.00 O ATOM 1046 CB ALA A 68 -14.167 -2.243 6.730 1.00 0.00 C ATOM 0 H ALA A 68 -13.809 -4.930 5.644 1.00 0.00 H new ATOM 0 HA ALA A 68 -15.112 -3.696 8.019 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -14.869 -1.446 6.977 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -13.281 -2.154 7.359 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -13.878 -2.160 5.682 1.00 0.00 H new ATOM 1052 N GLY A 69 -15.980 -4.290 4.947 1.00 0.00 N ATOM 1053 CA GLY A 69 -17.179 -4.398 4.070 1.00 0.00 C ATOM 1054 C GLY A 69 -17.248 -3.174 3.161 1.00 0.00 C ATOM 1055 O GLY A 69 -18.085 -3.082 2.288 1.00 0.00 O ATOM 0 H GLY A 69 -15.124 -4.699 4.572 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.126 -5.308 3.472 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -18.082 -4.467 4.676 1.00 0.00 H new ATOM 1059 N ILE A 70 -16.368 -2.229 3.359 1.00 0.00 N ATOM 1060 CA ILE A 70 -16.382 -1.016 2.505 1.00 0.00 C ATOM 1061 C ILE A 70 -15.271 -1.129 1.460 1.00 0.00 C ATOM 1062 O ILE A 70 -14.121 -1.342 1.781 1.00 0.00 O ATOM 1063 CB ILE A 70 -16.141 0.227 3.364 1.00 0.00 C ATOM 1064 CG1 ILE A 70 -16.983 0.164 4.644 1.00 0.00 C ATOM 1065 CG2 ILE A 70 -16.561 1.455 2.562 1.00 0.00 C ATOM 1066 CD1 ILE A 70 -16.364 1.066 5.715 1.00 0.00 C ATOM 0 H ILE A 70 -15.642 -2.249 4.076 1.00 0.00 H new ATOM 0 HA ILE A 70 -17.351 -0.930 2.013 1.00 0.00 H new ATOM 0 HB ILE A 70 -15.087 0.279 3.635 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -18.005 0.481 4.434 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -17.036 -0.863 5.006 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -16.397 2.353 3.158 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -15.969 1.513 1.648 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -17.618 1.378 2.306 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -16.965 1.018 6.623 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -15.351 0.729 5.933 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -16.335 2.094 5.353 1.00 0.00 H new ATOM 1078 N GLU A 71 -15.610 -0.992 0.208 1.00 0.00 N ATOM 1079 CA GLU A 71 -14.584 -1.093 -0.867 1.00 0.00 C ATOM 1080 C GLU A 71 -14.498 0.235 -1.624 1.00 0.00 C ATOM 1081 O GLU A 71 -15.303 1.124 -1.431 1.00 0.00 O ATOM 1082 CB GLU A 71 -14.961 -2.234 -1.821 1.00 0.00 C ATOM 1083 CG GLU A 71 -14.345 -2.004 -3.200 1.00 0.00 C ATOM 1084 CD GLU A 71 -14.730 -3.154 -4.129 1.00 0.00 C ATOM 1085 OE1 GLU A 71 -14.252 -3.171 -5.251 1.00 0.00 O ATOM 1086 OE2 GLU A 71 -15.499 -4.002 -3.703 1.00 0.00 O ATOM 0 H GLU A 71 -16.560 -0.813 -0.118 1.00 0.00 H new ATOM 0 HA GLU A 71 -13.609 -1.306 -0.429 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -14.615 -3.185 -1.415 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -16.046 -2.301 -1.907 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.694 -1.057 -3.612 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.260 -1.936 -3.119 1.00 0.00 H new ATOM 1094 N ALA A 72 -13.523 0.378 -2.481 1.00 0.00 N ATOM 1095 CA ALA A 72 -13.379 1.652 -3.247 1.00 0.00 C ATOM 1096 C ALA A 72 -14.722 2.034 -3.858 1.00 0.00 C ATOM 1097 O ALA A 72 -15.075 3.195 -3.926 1.00 0.00 O ATOM 1098 CB ALA A 72 -12.336 1.473 -4.347 1.00 0.00 C ATOM 0 H ALA A 72 -12.819 -0.332 -2.685 1.00 0.00 H new ATOM 0 HA ALA A 72 -13.054 2.446 -2.575 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.232 2.404 -4.905 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.378 1.209 -3.900 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.652 0.678 -5.023 1.00 0.00 H new ATOM 1104 N GLY A 73 -15.489 1.075 -4.283 1.00 0.00 N ATOM 1105 CA GLY A 73 -16.819 1.400 -4.858 1.00 0.00 C ATOM 1106 C GLY A 73 -17.662 2.049 -3.763 1.00 0.00 C ATOM 1107 O GLY A 73 -18.681 2.659 -4.023 1.00 0.00 O ATOM 0 H GLY A 73 -15.254 0.083 -4.258 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -16.712 2.075 -5.707 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -17.305 0.497 -5.228 1.00 0.00 H new ATOM 1111 N GLN A 74 -17.244 1.902 -2.532 1.00 0.00 N ATOM 1112 CA GLN A 74 -18.015 2.487 -1.399 1.00 0.00 C ATOM 1113 C GLN A 74 -17.269 3.678 -0.777 1.00 0.00 C ATOM 1114 O GLN A 74 -17.844 4.432 -0.021 1.00 0.00 O ATOM 1115 CB GLN A 74 -18.232 1.412 -0.333 1.00 0.00 C ATOM 1116 CG GLN A 74 -19.347 0.464 -0.777 1.00 0.00 C ATOM 1117 CD GLN A 74 -20.699 1.033 -0.336 1.00 0.00 C ATOM 1118 OE1 GLN A 74 -20.858 1.435 0.801 1.00 0.00 O ATOM 1119 NE2 GLN A 74 -21.685 1.084 -1.188 1.00 0.00 N ATOM 0 H GLN A 74 -16.398 1.399 -2.264 1.00 0.00 H new ATOM 0 HA GLN A 74 -18.973 2.843 -1.779 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -17.310 0.854 -0.172 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -18.493 1.876 0.618 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -19.327 0.342 -1.860 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -19.195 -0.524 -0.342 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -21.553 0.747 -2.142 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -22.588 1.461 -0.901 1.00 0.00 H new ATOM 1128 N LEU A 75 -16.006 3.869 -1.082 1.00 0.00 N ATOM 1129 CA LEU A 75 -15.288 5.042 -0.490 1.00 0.00 C ATOM 1130 C LEU A 75 -14.592 5.835 -1.587 1.00 0.00 C ATOM 1131 O LEU A 75 -14.689 5.531 -2.759 1.00 0.00 O ATOM 1132 CB LEU A 75 -14.223 4.632 0.553 1.00 0.00 C ATOM 1133 CG LEU A 75 -14.023 3.113 0.606 1.00 0.00 C ATOM 1134 CD1 LEU A 75 -12.761 2.743 -0.168 1.00 0.00 C ATOM 1135 CD2 LEU A 75 -13.839 2.663 2.057 1.00 0.00 C ATOM 0 H LEU A 75 -15.452 3.277 -1.701 1.00 0.00 H new ATOM 0 HA LEU A 75 -16.047 5.642 0.012 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.276 5.114 0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.522 4.992 1.537 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.897 2.627 0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.616 1.663 -0.132 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.864 3.061 -1.205 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.901 3.240 0.280 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -13.697 1.583 2.088 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -12.965 3.156 2.483 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.723 2.930 2.636 1.00 0.00 H new ATOM 1147 N THR A 76 -13.876 6.850 -1.195 1.00 0.00 N ATOM 1148 CA THR A 76 -13.138 7.686 -2.179 1.00 0.00 C ATOM 1149 C THR A 76 -11.676 7.752 -1.757 1.00 0.00 C ATOM 1150 O THR A 76 -11.345 8.298 -0.726 1.00 0.00 O ATOM 1151 CB THR A 76 -13.725 9.098 -2.194 1.00 0.00 C ATOM 1152 OG1 THR A 76 -14.976 9.083 -2.868 1.00 0.00 O ATOM 1153 CG2 THR A 76 -12.765 10.048 -2.910 1.00 0.00 C ATOM 0 H THR A 76 -13.770 7.139 -0.223 1.00 0.00 H new ATOM 0 HA THR A 76 -13.224 7.252 -3.175 1.00 0.00 H new ATOM 0 HB THR A 76 -13.869 9.441 -1.170 1.00 0.00 H new ATOM 0 HG1 THR A 76 -15.354 9.987 -2.877 1.00 0.00 H new ATOM 0 HG21 THR A 76 -13.187 11.053 -2.919 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.808 10.060 -2.388 1.00 0.00 H new ATOM 0 HG23 THR A 76 -12.614 9.709 -3.935 1.00 0.00 H new ATOM 1161 N ILE A 77 -10.796 7.204 -2.541 1.00 0.00 N ATOM 1162 CA ILE A 77 -9.357 7.240 -2.168 1.00 0.00 C ATOM 1163 C ILE A 77 -8.777 8.595 -2.575 1.00 0.00 C ATOM 1164 O ILE A 77 -8.948 9.045 -3.691 1.00 0.00 O ATOM 1165 CB ILE A 77 -8.615 6.114 -2.892 1.00 0.00 C ATOM 1166 CG1 ILE A 77 -9.445 4.823 -2.822 1.00 0.00 C ATOM 1167 CG2 ILE A 77 -7.250 5.890 -2.229 1.00 0.00 C ATOM 1168 CD1 ILE A 77 -9.472 4.286 -1.389 1.00 0.00 C ATOM 0 H ILE A 77 -11.008 6.734 -3.421 1.00 0.00 H new ATOM 0 HA ILE A 77 -9.244 7.103 -1.093 1.00 0.00 H new ATOM 0 HB ILE A 77 -8.467 6.389 -3.936 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.462 5.017 -3.164 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -9.021 4.074 -3.491 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.722 5.088 -2.745 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.663 6.807 -2.286 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.394 5.616 -1.184 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -10.064 3.371 -1.354 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.455 4.073 -1.061 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.917 5.031 -0.730 1.00 0.00 H new ATOM 1180 N ILE A 78 -8.107 9.259 -1.676 1.00 0.00 N ATOM 1181 CA ILE A 78 -7.537 10.592 -2.016 1.00 0.00 C ATOM 1182 C ILE A 78 -6.162 10.428 -2.653 1.00 0.00 C ATOM 1183 O ILE A 78 -5.375 9.585 -2.274 1.00 0.00 O ATOM 1184 CB ILE A 78 -7.434 11.438 -0.749 1.00 0.00 C ATOM 1185 CG1 ILE A 78 -8.483 12.548 -0.808 1.00 0.00 C ATOM 1186 CG2 ILE A 78 -6.037 12.058 -0.639 1.00 0.00 C ATOM 1187 CD1 ILE A 78 -9.884 11.929 -0.766 1.00 0.00 C ATOM 0 H ILE A 78 -7.930 8.938 -0.724 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.191 11.092 -2.730 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.607 10.807 0.123 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.351 13.233 0.030 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.359 13.132 -1.720 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.976 12.659 0.268 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.289 11.266 -0.601 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.851 12.691 -1.507 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -10.633 12.720 -0.808 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -10.013 11.262 -1.618 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.005 11.364 0.158 1.00 0.00 H new ATOM 1199 N GLU A 79 -5.884 11.234 -3.635 1.00 0.00 N ATOM 1200 CA GLU A 79 -4.574 11.150 -4.337 1.00 0.00 C ATOM 1201 C GLU A 79 -3.644 12.263 -3.850 1.00 0.00 C ATOM 1202 O GLU A 79 -4.082 13.317 -3.432 1.00 0.00 O ATOM 1203 CB GLU A 79 -4.804 11.294 -5.838 1.00 0.00 C ATOM 1204 CG GLU A 79 -5.678 10.139 -6.326 1.00 0.00 C ATOM 1205 CD GLU A 79 -5.893 10.260 -7.834 1.00 0.00 C ATOM 1206 OE1 GLU A 79 -6.369 9.306 -8.424 1.00 0.00 O ATOM 1207 OE2 GLU A 79 -5.580 11.308 -8.373 1.00 0.00 O ATOM 0 H GLU A 79 -6.514 11.955 -3.986 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.110 10.187 -4.124 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.286 12.247 -6.054 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.850 11.292 -6.366 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.203 9.186 -6.092 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.638 10.153 -5.809 1.00 0.00 H new ATOM 1215 N GLY A 80 -2.362 12.035 -3.901 1.00 0.00 N ATOM 1216 CA GLY A 80 -1.398 13.072 -3.443 1.00 0.00 C ATOM 1217 C GLY A 80 -0.855 12.685 -2.070 1.00 0.00 C ATOM 1218 O GLY A 80 0.211 13.110 -1.671 1.00 0.00 O ATOM 0 H GLY A 80 -1.939 11.172 -4.242 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.580 13.165 -4.157 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.889 14.044 -3.392 1.00 0.00 H new ATOM 1222 N PHE A 81 -1.574 11.873 -1.344 1.00 0.00 N ATOM 1223 CA PHE A 81 -1.088 11.453 -0.002 1.00 0.00 C ATOM 1224 C PHE A 81 -0.665 9.990 -0.031 1.00 0.00 C ATOM 1225 O PHE A 81 -1.408 9.125 -0.448 1.00 0.00 O ATOM 1226 CB PHE A 81 -2.199 11.610 1.033 1.00 0.00 C ATOM 1227 CG PHE A 81 -1.727 11.012 2.333 1.00 0.00 C ATOM 1228 CD1 PHE A 81 -1.832 9.633 2.542 1.00 0.00 C ATOM 1229 CD2 PHE A 81 -1.172 11.830 3.321 1.00 0.00 C ATOM 1230 CE1 PHE A 81 -1.381 9.070 3.742 1.00 0.00 C ATOM 1231 CE2 PHE A 81 -0.721 11.268 4.521 1.00 0.00 C ATOM 1232 CZ PHE A 81 -0.825 9.889 4.732 1.00 0.00 C ATOM 0 H PHE A 81 -2.475 11.484 -1.623 1.00 0.00 H new ATOM 0 HA PHE A 81 -0.239 12.082 0.264 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.446 12.663 1.168 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.107 11.111 0.694 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -2.261 9.002 1.778 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -1.091 12.895 3.159 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -1.462 8.005 3.904 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.292 11.900 5.285 1.00 0.00 H new ATOM 0 HZ PHE A 81 -0.477 9.456 5.658 1.00 0.00 H new ATOM 1242 N LYS A 82 0.511 9.697 0.442 1.00 0.00 N ATOM 1243 CA LYS A 82 0.962 8.284 0.469 1.00 0.00 C ATOM 1244 C LYS A 82 2.000 8.122 1.569 1.00 0.00 C ATOM 1245 O LYS A 82 2.969 8.852 1.639 1.00 0.00 O ATOM 1246 CB LYS A 82 1.580 7.886 -0.864 1.00 0.00 C ATOM 1247 CG LYS A 82 1.264 6.414 -1.131 1.00 0.00 C ATOM 1248 CD LYS A 82 1.866 5.993 -2.471 1.00 0.00 C ATOM 1249 CE LYS A 82 3.379 5.854 -2.338 1.00 0.00 C ATOM 1250 NZ LYS A 82 4.047 6.856 -3.215 1.00 0.00 N ATOM 0 H LYS A 82 1.178 10.375 0.810 1.00 0.00 H new ATOM 0 HA LYS A 82 0.101 7.642 0.656 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.183 8.509 -1.665 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.658 8.043 -0.842 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.667 5.794 -0.330 1.00 0.00 H new ATOM 0 HG3 LYS A 82 0.185 6.260 -1.142 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.432 5.047 -2.794 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.625 6.731 -3.236 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.679 6.004 -1.301 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.689 4.847 -2.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.079 6.763 -3.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.769 6.692 -4.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.760 7.814 -2.929 1.00 0.00 H new ATOM 1264 N ARG A 83 1.803 7.173 2.428 1.00 0.00 N ATOM 1265 CA ARG A 83 2.771 6.951 3.535 1.00 0.00 C ATOM 1266 C ARG A 83 2.694 5.490 3.969 1.00 0.00 C ATOM 1267 O ARG A 83 1.620 4.942 4.123 1.00 0.00 O ATOM 1268 CB ARG A 83 2.399 7.853 4.712 1.00 0.00 C ATOM 1269 CG ARG A 83 3.482 7.773 5.787 1.00 0.00 C ATOM 1270 CD ARG A 83 3.027 8.549 7.024 1.00 0.00 C ATOM 1271 NE ARG A 83 2.810 9.978 6.662 1.00 0.00 N ATOM 1272 CZ ARG A 83 3.831 10.772 6.499 1.00 0.00 C ATOM 1273 NH1 ARG A 83 5.045 10.315 6.648 1.00 0.00 N ATOM 1274 NH2 ARG A 83 3.639 12.025 6.189 1.00 0.00 N ATOM 0 H ARG A 83 1.008 6.534 2.414 1.00 0.00 H new ATOM 0 HA ARG A 83 3.783 7.185 3.203 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.286 8.882 4.372 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.438 7.548 5.127 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.675 6.732 6.048 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.417 8.186 5.408 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.106 8.119 7.418 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.777 8.472 7.811 1.00 0.00 H new ATOM 0 HE ARG A 83 1.862 10.335 6.542 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.195 9.336 6.892 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.843 10.937 6.520 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.691 12.382 6.074 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.437 12.647 6.061 1.00 0.00 H new ATOM 1288 N GLU A 84 3.812 4.853 4.178 1.00 0.00 N ATOM 1289 CA GLU A 84 3.766 3.432 4.609 1.00 0.00 C ATOM 1290 C GLU A 84 4.426 3.285 5.965 1.00 0.00 C ATOM 1291 O GLU A 84 5.449 3.880 6.238 1.00 0.00 O ATOM 1292 CB GLU A 84 4.487 2.540 3.602 1.00 0.00 C ATOM 1293 CG GLU A 84 5.869 3.111 3.291 1.00 0.00 C ATOM 1294 CD GLU A 84 5.725 4.432 2.535 1.00 0.00 C ATOM 1295 OE1 GLU A 84 4.657 4.671 1.999 1.00 0.00 O ATOM 1296 OE2 GLU A 84 6.687 5.185 2.505 1.00 0.00 O ATOM 0 H GLU A 84 4.745 5.251 4.070 1.00 0.00 H new ATOM 0 HA GLU A 84 2.722 3.126 4.670 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.584 1.531 4.002 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.901 2.465 2.686 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.424 3.269 4.216 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.440 2.400 2.694 1.00 0.00 H new ATOM 1304 N LEU A 85 3.859 2.486 6.820 1.00 0.00 N ATOM 1305 CA LEU A 85 4.473 2.299 8.151 1.00 0.00 C ATOM 1306 C LEU A 85 5.299 1.020 8.116 1.00 0.00 C ATOM 1307 O LEU A 85 4.780 -0.062 7.920 1.00 0.00 O ATOM 1308 CB LEU A 85 3.382 2.190 9.220 1.00 0.00 C ATOM 1309 CG LEU A 85 2.375 3.333 9.047 1.00 0.00 C ATOM 1310 CD1 LEU A 85 1.536 3.484 10.316 1.00 0.00 C ATOM 1311 CD2 LEU A 85 3.111 4.646 8.769 1.00 0.00 C ATOM 0 H LEU A 85 3.002 1.959 6.653 1.00 0.00 H new ATOM 0 HA LEU A 85 5.108 3.150 8.396 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.874 1.229 9.139 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.827 2.232 10.214 1.00 0.00 H new ATOM 0 HG LEU A 85 1.724 3.100 8.205 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.823 4.298 10.186 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.997 2.556 10.508 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.189 3.706 11.160 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.386 5.451 8.648 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.773 4.876 9.604 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.699 4.547 7.857 1.00 0.00 H new ATOM 1323 N ASN A 86 6.585 1.137 8.295 1.00 0.00 N ATOM 1324 CA ASN A 86 7.452 -0.069 8.261 1.00 0.00 C ATOM 1325 C ASN A 86 8.139 -0.238 9.611 1.00 0.00 C ATOM 1326 O ASN A 86 8.787 0.661 10.111 1.00 0.00 O ATOM 1327 CB ASN A 86 8.510 0.080 7.164 1.00 0.00 C ATOM 1328 CG ASN A 86 8.189 1.297 6.294 1.00 0.00 C ATOM 1329 OD1 ASN A 86 7.865 2.354 6.799 1.00 0.00 O ATOM 1330 ND2 ASN A 86 8.269 1.193 4.996 1.00 0.00 N ATOM 0 H ASN A 86 7.072 2.017 8.463 1.00 0.00 H new ATOM 0 HA ASN A 86 6.839 -0.945 8.050 1.00 0.00 H new ATOM 0 HB2 ASN A 86 9.497 0.192 7.612 1.00 0.00 H new ATOM 0 HB3 ASN A 86 8.539 -0.820 6.550 1.00 0.00 H new ATOM 0 HD21 ASN A 86 8.060 1.998 4.406 1.00 0.00 H new ATOM 0 HD22 ASN A 86 8.541 0.306 4.571 1.00 0.00 H new ATOM 1337 N TYR A 87 8.007 -1.389 10.200 1.00 0.00 N ATOM 1338 CA TYR A 87 8.653 -1.629 11.511 1.00 0.00 C ATOM 1339 C TYR A 87 8.644 -3.119 11.800 1.00 0.00 C ATOM 1340 O TYR A 87 7.787 -3.846 11.339 1.00 0.00 O ATOM 1341 CB TYR A 87 7.888 -0.898 12.613 1.00 0.00 C ATOM 1342 CG TYR A 87 6.420 -1.255 12.535 1.00 0.00 C ATOM 1343 CD1 TYR A 87 5.952 -2.440 13.116 1.00 0.00 C ATOM 1344 CD2 TYR A 87 5.525 -0.398 11.880 1.00 0.00 C ATOM 1345 CE1 TYR A 87 4.592 -2.769 13.042 1.00 0.00 C ATOM 1346 CE2 TYR A 87 4.166 -0.725 11.807 1.00 0.00 C ATOM 1347 CZ TYR A 87 3.699 -1.910 12.389 1.00 0.00 C ATOM 1348 OH TYR A 87 2.358 -2.232 12.318 1.00 0.00 O ATOM 0 H TYR A 87 7.477 -2.176 9.827 1.00 0.00 H new ATOM 0 HA TYR A 87 9.678 -1.258 11.482 1.00 0.00 H new ATOM 0 HB2 TYR A 87 8.288 -1.171 13.590 1.00 0.00 H new ATOM 0 HB3 TYR A 87 8.017 0.179 12.506 1.00 0.00 H new ATOM 0 HD1 TYR A 87 6.640 -3.101 13.622 1.00 0.00 H new ATOM 0 HD2 TYR A 87 5.885 0.516 11.431 1.00 0.00 H new ATOM 0 HE1 TYR A 87 4.233 -3.684 13.488 1.00 0.00 H new ATOM 0 HE2 TYR A 87 3.478 -0.064 11.302 1.00 0.00 H new ATOM 0 HH TYR A 87 1.878 -1.529 11.832 1.00 0.00 H new ATOM 1444 N PRO A 93 9.804 -7.159 9.884 1.00 0.00 N ATOM 1445 CA PRO A 93 9.456 -5.778 9.427 1.00 0.00 C ATOM 1446 C PRO A 93 8.267 -5.790 8.482 1.00 0.00 C ATOM 1447 O PRO A 93 8.198 -6.613 7.604 1.00 0.00 O ATOM 1448 CB PRO A 93 10.696 -5.336 8.667 1.00 0.00 C ATOM 1449 CG PRO A 93 11.248 -6.601 8.107 1.00 0.00 C ATOM 1450 CD PRO A 93 10.940 -7.693 9.127 1.00 0.00 C ATOM 0 HA PRO A 93 9.186 -5.126 10.258 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.448 -4.625 7.878 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.413 -4.845 9.325 1.00 0.00 H new ATOM 0 HG2 PRO A 93 10.793 -6.830 7.143 1.00 0.00 H new ATOM 0 HG3 PRO A 93 12.322 -6.516 7.941 1.00 0.00 H new ATOM 0 HD2 PRO A 93 10.688 -8.635 8.640 1.00 0.00 H new ATOM 0 HD3 PRO A 93 11.795 -7.888 9.774 1.00 0.00 H new ATOM 1458 N LYS A 94 7.347 -4.892 8.636 1.00 0.00 N ATOM 1459 CA LYS A 94 6.176 -4.893 7.714 1.00 0.00 C ATOM 1460 C LYS A 94 5.934 -3.505 7.140 1.00 0.00 C ATOM 1461 O LYS A 94 5.589 -2.583 7.850 1.00 0.00 O ATOM 1462 CB LYS A 94 4.923 -5.335 8.469 1.00 0.00 C ATOM 1463 CG LYS A 94 5.020 -6.823 8.806 1.00 0.00 C ATOM 1464 CD LYS A 94 3.752 -7.267 9.537 1.00 0.00 C ATOM 1465 CE LYS A 94 2.574 -7.277 8.559 1.00 0.00 C ATOM 1466 NZ LYS A 94 2.187 -8.684 8.263 1.00 0.00 N ATOM 0 H LYS A 94 7.348 -4.163 9.349 1.00 0.00 H new ATOM 0 HA LYS A 94 6.390 -5.584 6.899 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.814 -4.752 9.383 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.037 -5.147 7.863 1.00 0.00 H new ATOM 0 HG2 LYS A 94 5.149 -7.405 7.894 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.895 -7.009 9.429 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.894 -8.261 9.962 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.543 -6.592 10.367 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.728 -6.738 8.986 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.848 -6.762 7.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.194 -8.714 7.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.794 -9.059 7.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.303 -9.263 9.119 1.00 0.00 H new ATOM 1480 N THR A 95 6.062 -3.359 5.851 1.00 0.00 N ATOM 1481 CA THR A 95 5.790 -2.037 5.235 1.00 0.00 C ATOM 1482 C THR A 95 4.290 -1.945 4.991 1.00 0.00 C ATOM 1483 O THR A 95 3.700 -2.804 4.369 1.00 0.00 O ATOM 1484 CB THR A 95 6.541 -1.913 3.904 1.00 0.00 C ATOM 1485 OG1 THR A 95 7.940 -1.888 4.156 1.00 0.00 O ATOM 1486 CG2 THR A 95 6.120 -0.622 3.190 1.00 0.00 C ATOM 0 H THR A 95 6.342 -4.095 5.203 1.00 0.00 H new ATOM 0 HA THR A 95 6.124 -1.234 5.892 1.00 0.00 H new ATOM 0 HB THR A 95 6.300 -2.765 3.269 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.424 -1.810 3.307 1.00 0.00 H new ATOM 0 HG21 THR A 95 6.656 -0.538 2.245 1.00 0.00 H new ATOM 0 HG22 THR A 95 5.047 -0.646 2.998 1.00 0.00 H new ATOM 0 HG23 THR A 95 6.357 0.236 3.819 1.00 0.00 H new ATOM 1494 N VAL A 96 3.664 -0.922 5.485 1.00 0.00 N ATOM 1495 CA VAL A 96 2.201 -0.794 5.286 1.00 0.00 C ATOM 1496 C VAL A 96 1.903 0.534 4.605 1.00 0.00 C ATOM 1497 O VAL A 96 2.103 1.583 5.173 1.00 0.00 O ATOM 1498 CB VAL A 96 1.518 -0.848 6.654 1.00 0.00 C ATOM 1499 CG1 VAL A 96 0.002 -0.766 6.477 1.00 0.00 C ATOM 1500 CG2 VAL A 96 1.881 -2.166 7.350 1.00 0.00 C ATOM 0 H VAL A 96 4.101 -0.170 6.017 1.00 0.00 H new ATOM 0 HA VAL A 96 1.829 -1.604 4.659 1.00 0.00 H new ATOM 0 HB VAL A 96 1.855 -0.008 7.261 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.481 -0.805 7.453 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.256 0.170 5.981 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.339 -1.604 5.870 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.396 -2.208 8.325 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.544 -3.004 6.741 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.962 -2.223 7.479 1.00 0.00 H new ATOM 1510 N ILE A 97 1.413 0.494 3.395 1.00 0.00 N ATOM 1511 CA ILE A 97 1.095 1.759 2.676 1.00 0.00 C ATOM 1512 C ILE A 97 -0.352 2.138 2.976 1.00 0.00 C ATOM 1513 O ILE A 97 -1.259 1.344 2.818 1.00 0.00 O ATOM 1514 CB ILE A 97 1.288 1.549 1.169 1.00 0.00 C ATOM 1515 CG1 ILE A 97 2.707 1.011 0.904 1.00 0.00 C ATOM 1516 CG2 ILE A 97 1.081 2.872 0.431 1.00 0.00 C ATOM 1517 CD1 ILE A 97 3.632 2.133 0.404 1.00 0.00 C ATOM 0 H ILE A 97 1.219 -0.361 2.874 1.00 0.00 H new ATOM 0 HA ILE A 97 1.757 2.560 3.005 1.00 0.00 H new ATOM 0 HB ILE A 97 0.557 0.826 0.806 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.114 0.579 1.818 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.665 0.211 0.165 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.219 2.717 -0.639 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.071 3.238 0.617 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.805 3.605 0.788 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.628 1.730 0.224 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.234 2.546 -0.523 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.690 2.919 1.157 1.00 0.00 H new ATOM 1529 N TYR A 98 -0.578 3.342 3.431 1.00 0.00 N ATOM 1530 CA TYR A 98 -1.967 3.758 3.765 1.00 0.00 C ATOM 1531 C TYR A 98 -2.436 4.888 2.850 1.00 0.00 C ATOM 1532 O TYR A 98 -1.756 5.877 2.655 1.00 0.00 O ATOM 1533 CB TYR A 98 -2.013 4.273 5.205 1.00 0.00 C ATOM 1534 CG TYR A 98 -1.971 3.126 6.186 1.00 0.00 C ATOM 1535 CD1 TYR A 98 -3.045 2.234 6.271 1.00 0.00 C ATOM 1536 CD2 TYR A 98 -0.864 2.968 7.030 1.00 0.00 C ATOM 1537 CE1 TYR A 98 -3.013 1.184 7.196 1.00 0.00 C ATOM 1538 CE2 TYR A 98 -0.832 1.916 7.955 1.00 0.00 C ATOM 1539 CZ TYR A 98 -1.905 1.024 8.037 1.00 0.00 C ATOM 1540 OH TYR A 98 -1.874 -0.012 8.950 1.00 0.00 O ATOM 0 H TYR A 98 0.138 4.052 3.585 1.00 0.00 H new ATOM 0 HA TYR A 98 -2.616 2.892 3.637 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -1.171 4.942 5.384 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.921 4.856 5.359 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -3.900 2.356 5.622 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -0.035 3.657 6.968 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -3.844 0.497 7.261 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.022 1.794 8.605 1.00 0.00 H new ATOM 0 HH TYR A 98 -0.986 -0.058 9.363 1.00 0.00 H new ATOM 1550 N TRP A 99 -3.622 4.762 2.325 1.00 0.00 N ATOM 1551 CA TRP A 99 -4.190 5.831 1.463 1.00 0.00 C ATOM 1552 C TRP A 99 -5.395 6.422 2.194 1.00 0.00 C ATOM 1553 O TRP A 99 -6.132 5.711 2.848 1.00 0.00 O ATOM 1554 CB TRP A 99 -4.645 5.242 0.127 1.00 0.00 C ATOM 1555 CG TRP A 99 -3.507 5.206 -0.839 1.00 0.00 C ATOM 1556 CD1 TRP A 99 -3.056 6.266 -1.548 1.00 0.00 C ATOM 1557 CD2 TRP A 99 -2.677 4.074 -1.226 1.00 0.00 C ATOM 1558 NE1 TRP A 99 -2.003 5.856 -2.345 1.00 0.00 N ATOM 1559 CE2 TRP A 99 -1.732 4.514 -2.183 1.00 0.00 C ATOM 1560 CE3 TRP A 99 -2.651 2.721 -0.843 1.00 0.00 C ATOM 1561 CZ2 TRP A 99 -0.798 3.642 -2.741 1.00 0.00 C ATOM 1562 CZ3 TRP A 99 -1.713 1.841 -1.403 1.00 0.00 C ATOM 1563 CH2 TRP A 99 -0.788 2.302 -2.351 1.00 0.00 C ATOM 0 H TRP A 99 -4.228 3.953 2.459 1.00 0.00 H new ATOM 0 HA TRP A 99 -3.439 6.596 1.266 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -5.033 4.235 0.279 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -5.460 5.839 -0.283 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -3.454 7.269 -1.500 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -1.489 6.471 -2.976 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -3.358 2.357 -0.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 -0.087 4.001 -3.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -1.703 0.804 -1.103 1.00 0.00 H new ATOM 0 HH2 TRP A 99 -0.068 1.620 -2.779 1.00 0.00 H new ATOM 1574 N LEU A 100 -5.615 7.703 2.104 1.00 0.00 N ATOM 1575 CA LEU A 100 -6.786 8.281 2.820 1.00 0.00 C ATOM 1576 C LEU A 100 -8.049 7.931 2.040 1.00 0.00 C ATOM 1577 O LEU A 100 -8.078 8.002 0.826 1.00 0.00 O ATOM 1578 CB LEU A 100 -6.644 9.802 2.918 1.00 0.00 C ATOM 1579 CG LEU A 100 -5.164 10.184 2.894 1.00 0.00 C ATOM 1580 CD1 LEU A 100 -5.013 11.660 3.267 1.00 0.00 C ATOM 1581 CD2 LEU A 100 -4.390 9.329 3.899 1.00 0.00 C ATOM 0 H LEU A 100 -5.047 8.365 1.576 1.00 0.00 H new ATOM 0 HA LEU A 100 -6.841 7.872 3.829 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.166 10.280 2.089 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -7.108 10.162 3.837 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.767 10.014 1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.958 11.933 3.250 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -5.558 12.274 2.550 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.415 11.826 4.267 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.336 9.606 3.877 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.788 9.495 4.900 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.494 8.276 3.637 1.00 0.00 H new ATOM 1593 N ALA A 101 -9.092 7.539 2.717 1.00 0.00 N ATOM 1594 CA ALA A 101 -10.337 7.173 1.990 1.00 0.00 C ATOM 1595 C ALA A 101 -11.558 7.737 2.712 1.00 0.00 C ATOM 1596 O ALA A 101 -11.538 7.981 3.900 1.00 0.00 O ATOM 1597 CB ALA A 101 -10.456 5.650 1.917 1.00 0.00 C ATOM 0 H ALA A 101 -9.136 7.457 3.733 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.292 7.591 0.984 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -11.368 5.381 1.384 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.594 5.243 1.389 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.491 5.239 2.926 1.00 0.00 H new ATOM 1603 N GLU A 102 -12.625 7.941 1.990 1.00 0.00 N ATOM 1604 CA GLU A 102 -13.863 8.483 2.610 1.00 0.00 C ATOM 1605 C GLU A 102 -15.039 7.587 2.222 1.00 0.00 C ATOM 1606 O GLU A 102 -15.332 7.417 1.058 1.00 0.00 O ATOM 1607 CB GLU A 102 -14.105 9.897 2.079 1.00 0.00 C ATOM 1608 CG GLU A 102 -15.360 10.489 2.723 1.00 0.00 C ATOM 1609 CD GLU A 102 -15.686 11.828 2.057 1.00 0.00 C ATOM 1610 OE1 GLU A 102 -16.730 12.380 2.364 1.00 0.00 O ATOM 1611 OE2 GLU A 102 -14.887 12.277 1.251 1.00 0.00 O ATOM 0 H GLU A 102 -12.691 7.753 0.990 1.00 0.00 H new ATOM 0 HA GLU A 102 -13.762 8.511 3.695 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -13.243 10.528 2.295 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -14.219 9.873 0.995 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -16.198 9.801 2.613 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -15.202 10.630 3.792 1.00 0.00 H new ATOM 1619 N VAL A 103 -15.723 7.012 3.178 1.00 0.00 N ATOM 1620 CA VAL A 103 -16.875 6.137 2.825 1.00 0.00 C ATOM 1621 C VAL A 103 -18.062 7.009 2.414 1.00 0.00 C ATOM 1622 O VAL A 103 -18.391 7.988 3.056 1.00 0.00 O ATOM 1623 CB VAL A 103 -17.225 5.234 4.008 1.00 0.00 C ATOM 1624 CG1 VAL A 103 -15.954 4.561 4.499 1.00 0.00 C ATOM 1625 CG2 VAL A 103 -17.813 6.054 5.146 1.00 0.00 C ATOM 0 H VAL A 103 -15.535 7.110 4.176 1.00 0.00 H new ATOM 0 HA VAL A 103 -16.613 5.494 1.984 1.00 0.00 H new ATOM 0 HB VAL A 103 -17.957 4.493 3.687 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -16.188 3.913 5.344 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -15.523 3.966 3.694 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -15.238 5.321 4.812 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -18.057 5.396 5.980 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -17.086 6.799 5.471 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -18.718 6.556 4.803 1.00 0.00 H new ATOM 1635 N LYS A 104 -18.672 6.675 1.316 1.00 0.00 N ATOM 1636 CA LYS A 104 -19.809 7.481 0.786 1.00 0.00 C ATOM 1637 C LYS A 104 -20.949 7.599 1.801 1.00 0.00 C ATOM 1638 O LYS A 104 -21.532 8.650 1.961 1.00 0.00 O ATOM 1639 CB LYS A 104 -20.346 6.777 -0.455 1.00 0.00 C ATOM 1640 CG LYS A 104 -19.236 6.663 -1.498 1.00 0.00 C ATOM 1641 CD LYS A 104 -19.716 5.767 -2.635 1.00 0.00 C ATOM 1642 CE LYS A 104 -18.540 5.435 -3.555 1.00 0.00 C ATOM 1643 NZ LYS A 104 -19.056 4.853 -4.827 1.00 0.00 N ATOM 0 H LYS A 104 -18.428 5.862 0.750 1.00 0.00 H new ATOM 0 HA LYS A 104 -19.446 8.485 0.564 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -20.716 5.786 -0.192 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -21.189 7.333 -0.865 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -18.975 7.650 -1.880 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -18.335 6.248 -1.046 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -20.147 4.850 -2.233 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -20.503 6.268 -3.199 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -17.961 6.335 -3.762 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -17.869 4.730 -3.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -18.495 5.212 -5.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -18.982 3.816 -4.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -20.052 5.124 -4.954 1.00 0.00 H new ATOM 1657 N ASP A 105 -21.302 6.530 2.460 1.00 0.00 N ATOM 1658 CA ASP A 105 -22.443 6.610 3.418 1.00 0.00 C ATOM 1659 C ASP A 105 -21.962 6.705 4.859 1.00 0.00 C ATOM 1660 O ASP A 105 -21.057 6.017 5.276 1.00 0.00 O ATOM 1661 CB ASP A 105 -23.319 5.369 3.267 1.00 0.00 C ATOM 1662 CG ASP A 105 -24.783 5.791 3.139 1.00 0.00 C ATOM 1663 OD1 ASP A 105 -25.060 6.652 2.323 1.00 0.00 O ATOM 1664 OD2 ASP A 105 -25.602 5.245 3.861 1.00 0.00 O ATOM 0 H ASP A 105 -20.857 5.616 2.380 1.00 0.00 H new ATOM 0 HA ASP A 105 -23.011 7.511 3.187 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -23.015 4.801 2.388 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -23.192 4.714 4.129 1.00 0.00 H new ATOM 1670 N TYR A 106 -22.599 7.543 5.627 1.00 0.00 N ATOM 1671 CA TYR A 106 -22.228 7.682 7.062 1.00 0.00 C ATOM 1672 C TYR A 106 -22.546 6.369 7.776 1.00 0.00 C ATOM 1673 O TYR A 106 -21.759 5.856 8.546 1.00 0.00 O ATOM 1674 CB TYR A 106 -23.041 8.816 7.685 1.00 0.00 C ATOM 1675 CG TYR A 106 -22.767 8.875 9.166 1.00 0.00 C ATOM 1676 CD1 TYR A 106 -21.547 9.372 9.636 1.00 0.00 C ATOM 1677 CD2 TYR A 106 -23.738 8.437 10.073 1.00 0.00 C ATOM 1678 CE1 TYR A 106 -21.294 9.427 11.010 1.00 0.00 C ATOM 1679 CE2 TYR A 106 -23.488 8.493 11.448 1.00 0.00 C ATOM 1680 CZ TYR A 106 -22.266 8.988 11.917 1.00 0.00 C ATOM 1681 OH TYR A 106 -22.016 9.040 13.272 1.00 0.00 O ATOM 0 H TYR A 106 -23.366 8.142 5.320 1.00 0.00 H new ATOM 0 HA TYR A 106 -21.166 7.908 7.158 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -22.779 9.765 7.218 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -24.104 8.656 7.507 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -20.799 9.714 8.936 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -24.681 8.055 9.711 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -20.350 9.808 11.371 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -24.238 8.154 12.148 1.00 0.00 H new ATOM 0 HH TYR A 106 -22.794 8.699 13.761 1.00 0.00 H new ATOM 1691 N ASP A 107 -23.697 5.818 7.503 1.00 0.00 N ATOM 1692 CA ASP A 107 -24.078 4.530 8.135 1.00 0.00 C ATOM 1693 C ASP A 107 -23.621 3.397 7.221 1.00 0.00 C ATOM 1694 O ASP A 107 -24.079 2.276 7.321 1.00 0.00 O ATOM 1695 CB ASP A 107 -25.599 4.470 8.322 1.00 0.00 C ATOM 1696 CG ASP A 107 -26.293 4.425 6.959 1.00 0.00 C ATOM 1697 OD1 ASP A 107 -25.607 4.238 5.968 1.00 0.00 O ATOM 1698 OD2 ASP A 107 -27.503 4.574 6.930 1.00 0.00 O ATOM 0 H ASP A 107 -24.391 6.209 6.866 1.00 0.00 H new ATOM 0 HA ASP A 107 -23.606 4.437 9.113 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -25.867 3.589 8.905 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -25.939 5.340 8.884 1.00 0.00 H new ATOM 1704 N VAL A 108 -22.714 3.692 6.326 1.00 0.00 N ATOM 1705 CA VAL A 108 -22.215 2.647 5.398 1.00 0.00 C ATOM 1706 C VAL A 108 -22.078 1.338 6.170 1.00 0.00 C ATOM 1707 O VAL A 108 -21.762 1.327 7.342 1.00 0.00 O ATOM 1708 CB VAL A 108 -20.859 3.088 4.847 1.00 0.00 C ATOM 1709 CG1 VAL A 108 -19.951 3.488 6.004 1.00 0.00 C ATOM 1710 CG2 VAL A 108 -20.209 1.948 4.065 1.00 0.00 C ATOM 0 H VAL A 108 -22.299 4.616 6.201 1.00 0.00 H new ATOM 0 HA VAL A 108 -22.905 2.502 4.567 1.00 0.00 H new ATOM 0 HB VAL A 108 -21.006 3.937 4.179 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -18.983 3.803 5.615 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -20.406 4.311 6.556 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -19.814 2.636 6.670 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -19.244 2.276 3.678 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -20.064 1.091 4.723 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -20.855 1.662 3.235 1.00 0.00 H new ATOM 1720 N GLU A 109 -22.339 0.236 5.533 1.00 0.00 N ATOM 1721 CA GLU A 109 -22.251 -1.062 6.237 1.00 0.00 C ATOM 1722 C GLU A 109 -20.818 -1.340 6.660 1.00 0.00 C ATOM 1723 O GLU A 109 -19.866 -0.999 5.985 1.00 0.00 O ATOM 1724 CB GLU A 109 -22.749 -2.184 5.328 1.00 0.00 C ATOM 1725 CG GLU A 109 -21.579 -3.074 4.903 1.00 0.00 C ATOM 1726 CD GLU A 109 -22.040 -4.030 3.803 1.00 0.00 C ATOM 1727 OE1 GLU A 109 -23.239 -4.200 3.656 1.00 0.00 O ATOM 1728 OE2 GLU A 109 -21.186 -4.569 3.121 1.00 0.00 O ATOM 0 H GLU A 109 -22.610 0.181 4.551 1.00 0.00 H new ATOM 0 HA GLU A 109 -22.877 -1.017 7.128 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -23.498 -2.779 5.849 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -23.233 -1.762 4.448 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -20.753 -2.460 4.544 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -21.208 -3.639 5.758 1.00 0.00 H new ATOM 1736 N ILE A 110 -20.677 -1.974 7.778 1.00 0.00 N ATOM 1737 CA ILE A 110 -19.329 -2.324 8.300 1.00 0.00 C ATOM 1738 C ILE A 110 -19.245 -3.839 8.493 1.00 0.00 C ATOM 1739 O ILE A 110 -19.923 -4.408 9.324 1.00 0.00 O ATOM 1740 CB ILE A 110 -19.097 -1.613 9.635 1.00 0.00 C ATOM 1741 CG1 ILE A 110 -18.995 -0.102 9.395 1.00 0.00 C ATOM 1742 CG2 ILE A 110 -17.811 -2.127 10.286 1.00 0.00 C ATOM 1743 CD1 ILE A 110 -17.791 0.204 8.498 1.00 0.00 C ATOM 0 H ILE A 110 -21.453 -2.273 8.369 1.00 0.00 H new ATOM 0 HA ILE A 110 -18.564 -2.006 7.592 1.00 0.00 H new ATOM 0 HB ILE A 110 -19.933 -1.818 10.303 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -19.910 0.263 8.928 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -18.893 0.420 10.346 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -17.654 -1.615 11.236 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -17.895 -3.199 10.461 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -16.966 -1.933 9.625 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -17.725 1.279 8.332 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -16.879 -0.145 8.982 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -17.912 -0.304 7.541 1.00 0.00 H new ATOM 1755 N ARG A 111 -18.414 -4.494 7.734 1.00 0.00 N ATOM 1756 CA ARG A 111 -18.281 -5.970 7.877 1.00 0.00 C ATOM 1757 C ARG A 111 -16.946 -6.285 8.534 1.00 0.00 C ATOM 1758 O ARG A 111 -15.890 -6.067 7.971 1.00 0.00 O ATOM 1759 CB ARG A 111 -18.354 -6.626 6.501 1.00 0.00 C ATOM 1760 CG ARG A 111 -19.764 -6.435 5.950 1.00 0.00 C ATOM 1761 CD ARG A 111 -19.810 -6.844 4.477 1.00 0.00 C ATOM 1762 NE ARG A 111 -19.633 -8.318 4.358 1.00 0.00 N ATOM 1763 CZ ARG A 111 -19.591 -8.870 3.175 1.00 0.00 C ATOM 1764 NH1 ARG A 111 -19.698 -8.129 2.106 1.00 0.00 N ATOM 1765 NH2 ARG A 111 -19.442 -10.158 3.064 1.00 0.00 N ATOM 0 H ARG A 111 -17.820 -4.071 7.020 1.00 0.00 H new ATOM 0 HA ARG A 111 -19.091 -6.357 8.495 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -17.621 -6.180 5.829 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -18.116 -7.687 6.574 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -20.472 -7.033 6.524 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -20.067 -5.393 6.056 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -20.761 -6.546 4.037 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -19.026 -6.328 3.922 1.00 0.00 H new ATOM 0 HE ARG A 111 -19.545 -8.893 5.196 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -19.814 -7.120 2.195 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -19.665 -8.559 1.182 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -19.358 -10.736 3.900 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -19.409 -10.590 2.141 1.00 0.00 H new ATOM 1779 N LEU A 112 -16.989 -6.782 9.732 1.00 0.00 N ATOM 1780 CA LEU A 112 -15.729 -7.101 10.446 1.00 0.00 C ATOM 1781 C LEU A 112 -15.444 -8.597 10.344 1.00 0.00 C ATOM 1782 O LEU A 112 -16.335 -9.416 10.430 1.00 0.00 O ATOM 1783 CB LEU A 112 -15.867 -6.718 11.920 1.00 0.00 C ATOM 1784 CG LEU A 112 -16.483 -5.320 12.046 1.00 0.00 C ATOM 1785 CD1 LEU A 112 -16.314 -4.828 13.483 1.00 0.00 C ATOM 1786 CD2 LEU A 112 -15.794 -4.346 11.084 1.00 0.00 C ATOM 0 H LEU A 112 -17.845 -6.982 10.250 1.00 0.00 H new ATOM 0 HA LEU A 112 -14.910 -6.541 9.994 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -16.492 -7.447 12.436 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -14.890 -6.738 12.402 1.00 0.00 H new ATOM 0 HG LEU A 112 -17.542 -5.370 11.792 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -16.750 -3.834 13.581 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -16.818 -5.514 14.164 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -15.253 -4.785 13.731 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -16.242 -3.357 11.185 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -14.732 -4.289 11.323 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -15.918 -4.698 10.060 1.00 0.00 H new ATOM 1798 N SER A 113 -14.206 -8.959 10.171 1.00 0.00 N ATOM 1799 CA SER A 113 -13.860 -10.403 10.076 1.00 0.00 C ATOM 1800 C SER A 113 -13.651 -10.958 11.485 1.00 0.00 C ATOM 1801 O SER A 113 -13.713 -10.240 12.460 1.00 0.00 O ATOM 1802 CB SER A 113 -12.576 -10.571 9.264 1.00 0.00 C ATOM 1803 OG SER A 113 -12.828 -10.222 7.909 1.00 0.00 O ATOM 0 H SER A 113 -13.417 -8.317 10.091 1.00 0.00 H new ATOM 0 HA SER A 113 -14.668 -10.943 9.583 1.00 0.00 H new ATOM 0 HB2 SER A 113 -11.788 -9.939 9.674 1.00 0.00 H new ATOM 0 HB3 SER A 113 -12.224 -11.601 9.327 1.00 0.00 H new ATOM 0 HG SER A 113 -13.144 -9.295 7.863 1.00 0.00 H new ATOM 1809 N HIS A 114 -13.404 -12.230 11.600 1.00 0.00 N ATOM 1810 CA HIS A 114 -13.189 -12.823 12.947 1.00 0.00 C ATOM 1811 C HIS A 114 -12.110 -12.026 13.682 1.00 0.00 C ATOM 1812 O HIS A 114 -12.173 -11.832 14.879 1.00 0.00 O ATOM 1813 CB HIS A 114 -12.731 -14.274 12.790 1.00 0.00 C ATOM 1814 CG HIS A 114 -12.636 -14.925 14.143 1.00 0.00 C ATOM 1815 ND1 HIS A 114 -13.760 -15.261 14.882 1.00 0.00 N ATOM 1816 CD2 HIS A 114 -11.557 -15.317 14.897 1.00 0.00 C ATOM 1817 CE1 HIS A 114 -13.338 -15.830 16.026 1.00 0.00 C ATOM 1818 NE2 HIS A 114 -12.005 -15.887 16.083 1.00 0.00 N ATOM 0 H HIS A 114 -13.342 -12.885 10.821 1.00 0.00 H new ATOM 0 HA HIS A 114 -14.118 -12.792 13.517 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -13.433 -14.821 12.161 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -11.763 -14.308 12.291 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -10.522 -15.201 14.613 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -13.995 -16.195 16.801 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -11.435 -16.269 16.838 1.00 0.00 H new ATOM 1827 N GLU A 115 -11.118 -11.567 12.972 1.00 0.00 N ATOM 1828 CA GLU A 115 -10.028 -10.787 13.621 1.00 0.00 C ATOM 1829 C GLU A 115 -10.596 -9.515 14.254 1.00 0.00 C ATOM 1830 O GLU A 115 -10.119 -9.057 15.272 1.00 0.00 O ATOM 1831 CB GLU A 115 -8.988 -10.408 12.568 1.00 0.00 C ATOM 1832 CG GLU A 115 -8.342 -11.677 12.011 1.00 0.00 C ATOM 1833 CD GLU A 115 -7.250 -11.299 11.009 1.00 0.00 C ATOM 1834 OE1 GLU A 115 -6.501 -12.179 10.615 1.00 0.00 O ATOM 1835 OE2 GLU A 115 -7.183 -10.135 10.649 1.00 0.00 O ATOM 0 H GLU A 115 -11.015 -11.699 11.966 1.00 0.00 H new ATOM 0 HA GLU A 115 -9.566 -11.395 14.399 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -9.459 -9.843 11.763 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -8.228 -9.763 13.008 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -7.916 -12.267 12.823 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -9.095 -12.298 11.526 1.00 0.00 H new ATOM 1843 N HIS A 116 -11.609 -8.940 13.664 1.00 0.00 N ATOM 1844 CA HIS A 116 -12.198 -7.699 14.241 1.00 0.00 C ATOM 1845 C HIS A 116 -13.606 -8.004 14.756 1.00 0.00 C ATOM 1846 O HIS A 116 -14.379 -8.680 14.110 1.00 0.00 O ATOM 1847 CB HIS A 116 -12.260 -6.617 13.159 1.00 0.00 C ATOM 1848 CG HIS A 116 -10.862 -6.211 12.776 1.00 0.00 C ATOM 1849 ND1 HIS A 116 -10.029 -5.515 13.641 1.00 0.00 N ATOM 1850 CD2 HIS A 116 -10.138 -6.396 11.624 1.00 0.00 C ATOM 1851 CE1 HIS A 116 -8.863 -5.307 13.001 1.00 0.00 C ATOM 1852 NE2 HIS A 116 -8.879 -5.825 11.771 1.00 0.00 N ATOM 0 H HIS A 116 -12.053 -9.276 12.809 1.00 0.00 H new ATOM 0 HA HIS A 116 -11.581 -7.344 15.067 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -12.794 -6.991 12.285 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -12.814 -5.753 13.525 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -10.492 -6.906 10.740 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -8.020 -4.786 13.429 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -8.126 -5.806 11.083 1.00 0.00 H new ATOM 1861 N GLN A 117 -13.938 -7.525 15.928 1.00 0.00 N ATOM 1862 CA GLN A 117 -15.290 -7.807 16.492 1.00 0.00 C ATOM 1863 C GLN A 117 -16.104 -6.515 16.611 1.00 0.00 C ATOM 1864 O GLN A 117 -17.317 -6.546 16.669 1.00 0.00 O ATOM 1865 CB GLN A 117 -15.134 -8.430 17.882 1.00 0.00 C ATOM 1866 CG GLN A 117 -14.399 -7.449 18.799 1.00 0.00 C ATOM 1867 CD GLN A 117 -14.212 -8.079 20.181 1.00 0.00 C ATOM 1868 OE1 GLN A 117 -14.840 -9.070 20.497 1.00 0.00 O ATOM 1869 NE2 GLN A 117 -13.369 -7.544 21.019 1.00 0.00 N ATOM 0 H GLN A 117 -13.332 -6.953 16.516 1.00 0.00 H new ATOM 0 HA GLN A 117 -15.813 -8.493 15.826 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -16.113 -8.669 18.297 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -14.579 -9.366 17.813 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -13.430 -7.192 18.371 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -14.965 -6.522 18.885 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -12.843 -6.712 20.752 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -13.236 -7.957 21.942 1.00 0.00 H new ATOM 1878 N ALA A 118 -15.459 -5.383 16.657 1.00 0.00 N ATOM 1879 CA ALA A 118 -16.225 -4.110 16.782 1.00 0.00 C ATOM 1880 C ALA A 118 -15.439 -2.955 16.158 1.00 0.00 C ATOM 1881 O ALA A 118 -14.230 -2.999 16.045 1.00 0.00 O ATOM 1882 CB ALA A 118 -16.472 -3.811 18.262 1.00 0.00 C ATOM 0 H ALA A 118 -14.445 -5.283 16.614 1.00 0.00 H new ATOM 0 HA ALA A 118 -17.176 -4.216 16.260 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -17.032 -2.881 18.357 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -17.043 -4.625 18.707 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -15.517 -3.714 18.778 1.00 0.00 H new ATOM 1888 N TYR A 119 -16.122 -1.914 15.760 1.00 0.00 N ATOM 1889 CA TYR A 119 -15.427 -0.744 15.150 1.00 0.00 C ATOM 1890 C TYR A 119 -16.003 0.551 15.728 1.00 0.00 C ATOM 1891 O TYR A 119 -17.118 0.583 16.208 1.00 0.00 O ATOM 1892 CB TYR A 119 -15.635 -0.761 13.637 1.00 0.00 C ATOM 1893 CG TYR A 119 -17.091 -0.515 13.324 1.00 0.00 C ATOM 1894 CD1 TYR A 119 -17.999 -1.579 13.358 1.00 0.00 C ATOM 1895 CD2 TYR A 119 -17.533 0.771 12.997 1.00 0.00 C ATOM 1896 CE1 TYR A 119 -19.349 -1.360 13.067 1.00 0.00 C ATOM 1897 CE2 TYR A 119 -18.884 0.992 12.704 1.00 0.00 C ATOM 1898 CZ TYR A 119 -19.792 -0.073 12.740 1.00 0.00 C ATOM 1899 OH TYR A 119 -21.124 0.146 12.451 1.00 0.00 O ATOM 0 H TYR A 119 -17.135 -1.824 15.832 1.00 0.00 H new ATOM 0 HA TYR A 119 -14.361 -0.799 15.372 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -15.017 0.003 13.166 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -15.322 -1.721 13.227 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -17.656 -2.572 13.610 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -16.833 1.593 12.971 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -20.049 -2.182 13.094 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -19.226 1.984 12.450 1.00 0.00 H new ATOM 0 HH TYR A 119 -21.263 1.094 12.246 1.00 0.00 H new ATOM 1909 N ARG A 120 -15.253 1.619 15.682 1.00 0.00 N ATOM 1910 CA ARG A 120 -15.760 2.910 16.228 1.00 0.00 C ATOM 1911 C ARG A 120 -15.470 4.046 15.250 1.00 0.00 C ATOM 1912 O ARG A 120 -14.494 4.030 14.527 1.00 0.00 O ATOM 1913 CB ARG A 120 -15.052 3.237 17.542 1.00 0.00 C ATOM 1914 CG ARG A 120 -15.465 2.250 18.632 1.00 0.00 C ATOM 1915 CD ARG A 120 -14.705 2.585 19.918 1.00 0.00 C ATOM 1916 NE ARG A 120 -15.269 3.828 20.519 1.00 0.00 N ATOM 1917 CZ ARG A 120 -14.917 4.191 21.723 1.00 0.00 C ATOM 1918 NH1 ARG A 120 -14.058 3.471 22.395 1.00 0.00 N ATOM 1919 NH2 ARG A 120 -15.418 5.273 22.255 1.00 0.00 N ATOM 0 H ARG A 120 -14.312 1.653 15.290 1.00 0.00 H new ATOM 0 HA ARG A 120 -16.834 2.811 16.387 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -13.972 3.199 17.399 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -15.297 4.253 17.851 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -16.540 2.306 18.804 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -15.245 1.229 18.319 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -14.783 1.759 20.625 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -13.645 2.721 19.702 1.00 0.00 H new ATOM 0 HE ARG A 120 -15.931 4.395 19.989 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -13.664 2.627 21.979 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -13.782 3.753 23.336 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -16.086 5.837 21.730 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -15.141 5.554 23.196 1.00 0.00 H new ATOM 1933 N TRP A 121 -16.292 5.053 15.264 1.00 0.00 N ATOM 1934 CA TRP A 121 -16.057 6.228 14.386 1.00 0.00 C ATOM 1935 C TRP A 121 -15.708 7.407 15.290 1.00 0.00 C ATOM 1936 O TRP A 121 -16.553 7.937 15.985 1.00 0.00 O ATOM 1937 CB TRP A 121 -17.322 6.537 13.585 1.00 0.00 C ATOM 1938 CG TRP A 121 -17.410 5.605 12.419 1.00 0.00 C ATOM 1939 CD1 TRP A 121 -18.075 4.426 12.411 1.00 0.00 C ATOM 1940 CD2 TRP A 121 -16.823 5.755 11.096 1.00 0.00 C ATOM 1941 NE1 TRP A 121 -17.931 3.842 11.163 1.00 0.00 N ATOM 1942 CE2 TRP A 121 -17.168 4.625 10.318 1.00 0.00 C ATOM 1943 CE3 TRP A 121 -16.032 6.754 10.504 1.00 0.00 C ATOM 1944 CZ2 TRP A 121 -16.739 4.494 8.996 1.00 0.00 C ATOM 1945 CZ3 TRP A 121 -15.600 6.625 9.175 1.00 0.00 C ATOM 1946 CH2 TRP A 121 -15.953 5.497 8.424 1.00 0.00 C ATOM 0 H TRP A 121 -17.124 5.113 15.851 1.00 0.00 H new ATOM 0 HA TRP A 121 -15.249 6.032 13.682 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -18.202 6.429 14.218 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -17.303 7.570 13.238 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -18.627 4.009 13.241 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -18.338 2.944 10.900 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -15.755 7.627 11.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -17.013 3.623 8.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 -14.993 7.399 8.730 1.00 0.00 H new ATOM 0 HH2 TRP A 121 -15.617 5.403 7.402 1.00 0.00 H new ATOM 1957 N LEU A 122 -14.465 7.807 15.313 1.00 0.00 N ATOM 1958 CA LEU A 122 -14.067 8.932 16.207 1.00 0.00 C ATOM 1959 C LEU A 122 -13.276 9.980 15.423 1.00 0.00 C ATOM 1960 O LEU A 122 -12.943 9.792 14.272 1.00 0.00 O ATOM 1961 CB LEU A 122 -13.189 8.404 17.346 1.00 0.00 C ATOM 1962 CG LEU A 122 -13.592 6.969 17.712 1.00 0.00 C ATOM 1963 CD1 LEU A 122 -12.524 5.992 17.215 1.00 0.00 C ATOM 1964 CD2 LEU A 122 -13.723 6.845 19.233 1.00 0.00 C ATOM 0 H LEU A 122 -13.712 7.406 14.755 1.00 0.00 H new ATOM 0 HA LEU A 122 -14.971 9.386 16.612 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -12.141 8.429 17.047 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -13.287 9.050 18.219 1.00 0.00 H new ATOM 0 HG LEU A 122 -14.547 6.734 17.243 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -12.813 4.974 17.476 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -12.430 6.076 16.132 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -11.568 6.229 17.682 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -14.009 5.826 19.492 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -12.768 7.084 19.701 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -14.485 7.538 19.590 1.00 0.00 H new ATOM 1976 N GLY A 123 -12.973 11.082 16.052 1.00 0.00 N ATOM 1977 CA GLY A 123 -12.198 12.149 15.363 1.00 0.00 C ATOM 1978 C GLY A 123 -10.707 11.821 15.438 1.00 0.00 C ATOM 1979 O GLY A 123 -10.312 10.804 15.974 1.00 0.00 O ATOM 0 H GLY A 123 -13.230 11.289 17.017 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -12.512 12.228 14.322 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -12.393 13.115 15.829 1.00 0.00 H new ATOM 1983 N LEU A 124 -9.876 12.671 14.904 1.00 0.00 N ATOM 1984 CA LEU A 124 -8.411 12.407 14.942 1.00 0.00 C ATOM 1985 C LEU A 124 -7.944 12.258 16.391 1.00 0.00 C ATOM 1986 O LEU A 124 -7.112 11.433 16.699 1.00 0.00 O ATOM 1987 CB LEU A 124 -7.668 13.578 14.290 1.00 0.00 C ATOM 1988 CG LEU A 124 -6.156 13.370 14.418 1.00 0.00 C ATOM 1989 CD1 LEU A 124 -5.782 11.969 13.932 1.00 0.00 C ATOM 1990 CD2 LEU A 124 -5.432 14.406 13.558 1.00 0.00 C ATOM 0 H LEU A 124 -10.148 13.539 14.442 1.00 0.00 H new ATOM 0 HA LEU A 124 -8.199 11.485 14.400 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -7.946 13.657 13.239 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -7.957 14.515 14.767 1.00 0.00 H new ATOM 0 HG LEU A 124 -5.864 13.481 15.462 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -4.705 11.827 14.025 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -6.300 11.224 14.536 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -6.074 11.856 12.888 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -4.355 14.263 13.645 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -5.731 14.287 12.516 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -5.693 15.408 13.898 1.00 0.00 H new ATOM 2002 N GLU A 125 -8.463 13.063 17.275 1.00 0.00 N ATOM 2003 CA GLU A 125 -8.038 12.990 18.706 1.00 0.00 C ATOM 2004 C GLU A 125 -8.258 11.586 19.273 1.00 0.00 C ATOM 2005 O GLU A 125 -7.349 10.964 19.785 1.00 0.00 O ATOM 2006 CB GLU A 125 -8.855 14.001 19.519 1.00 0.00 C ATOM 2007 CG GLU A 125 -10.352 13.738 19.314 1.00 0.00 C ATOM 2008 CD GLU A 125 -11.160 14.892 19.910 1.00 0.00 C ATOM 2009 OE1 GLU A 125 -10.557 15.756 20.524 1.00 0.00 O ATOM 2010 OE2 GLU A 125 -12.367 14.893 19.736 1.00 0.00 O ATOM 0 H GLU A 125 -9.167 13.772 17.070 1.00 0.00 H new ATOM 0 HA GLU A 125 -6.975 13.222 18.769 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -8.603 13.921 20.576 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -8.608 15.016 19.209 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -10.572 13.637 18.251 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -10.635 12.799 19.789 1.00 0.00 H new ATOM 2018 N GLU A 126 -9.455 11.079 19.187 1.00 0.00 N ATOM 2019 CA GLU A 126 -9.727 9.717 19.722 1.00 0.00 C ATOM 2020 C GLU A 126 -9.070 8.689 18.808 1.00 0.00 C ATOM 2021 O GLU A 126 -8.372 7.802 19.253 1.00 0.00 O ATOM 2022 CB GLU A 126 -11.235 9.489 19.742 1.00 0.00 C ATOM 2023 CG GLU A 126 -11.781 9.571 21.171 1.00 0.00 C ATOM 2024 CD GLU A 126 -11.007 10.608 21.992 1.00 0.00 C ATOM 2025 OE1 GLU A 126 -11.039 10.514 23.207 1.00 0.00 O ATOM 2026 OE2 GLU A 126 -10.397 11.474 21.393 1.00 0.00 O ATOM 0 H GLU A 126 -10.258 11.549 18.769 1.00 0.00 H new ATOM 0 HA GLU A 126 -9.327 9.620 20.731 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -11.728 10.234 19.117 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -11.465 8.512 19.316 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -12.838 9.836 21.146 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -11.708 8.594 21.649 1.00 0.00 H new ATOM 2034 N ALA A 127 -9.265 8.808 17.533 1.00 0.00 N ATOM 2035 CA ALA A 127 -8.622 7.837 16.619 1.00 0.00 C ATOM 2036 C ALA A 127 -7.139 7.792 16.970 1.00 0.00 C ATOM 2037 O ALA A 127 -6.500 6.765 16.900 1.00 0.00 O ATOM 2038 CB ALA A 127 -8.810 8.299 15.180 1.00 0.00 C ATOM 0 H ALA A 127 -9.835 9.527 17.087 1.00 0.00 H new ATOM 0 HA ALA A 127 -9.064 6.846 16.723 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -8.338 7.586 14.504 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -9.874 8.362 14.954 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -8.353 9.280 15.050 1.00 0.00 H new ATOM 2044 N CYS A 128 -6.603 8.909 17.384 1.00 0.00 N ATOM 2045 CA CYS A 128 -5.175 8.948 17.783 1.00 0.00 C ATOM 2046 C CYS A 128 -5.039 8.314 19.168 1.00 0.00 C ATOM 2047 O CYS A 128 -4.085 7.621 19.457 1.00 0.00 O ATOM 2048 CB CYS A 128 -4.702 10.402 17.834 1.00 0.00 C ATOM 2049 SG CYS A 128 -3.933 10.845 16.255 1.00 0.00 S ATOM 0 H CYS A 128 -7.099 9.797 17.462 1.00 0.00 H new ATOM 0 HA CYS A 128 -4.568 8.400 17.063 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -5.545 11.062 18.038 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -3.989 10.535 18.648 1.00 0.00 H new ATOM 0 HG CYS A 128 -3.533 12.081 16.299 1.00 0.00 H new ATOM 2055 N GLN A 129 -5.995 8.546 20.028 1.00 0.00 N ATOM 2056 CA GLN A 129 -5.928 7.958 21.393 1.00 0.00 C ATOM 2057 C GLN A 129 -6.056 6.437 21.301 1.00 0.00 C ATOM 2058 O GLN A 129 -5.280 5.701 21.882 1.00 0.00 O ATOM 2059 CB GLN A 129 -7.052 8.552 22.257 1.00 0.00 C ATOM 2060 CG GLN A 129 -8.311 7.680 22.216 1.00 0.00 C ATOM 2061 CD GLN A 129 -8.139 6.474 23.138 1.00 0.00 C ATOM 2062 OE1 GLN A 129 -7.054 6.210 23.618 1.00 0.00 O ATOM 2063 NE2 GLN A 129 -9.173 5.731 23.419 1.00 0.00 N ATOM 0 H GLN A 129 -6.819 9.118 19.842 1.00 0.00 H new ATOM 0 HA GLN A 129 -4.970 8.195 21.856 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -6.708 8.649 23.287 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -7.291 9.556 21.905 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -9.178 8.264 22.524 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -8.499 7.345 21.196 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -10.084 5.952 23.017 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -9.071 4.929 24.041 1.00 0.00 H new ATOM 2072 N LEU A 130 -7.014 5.957 20.560 1.00 0.00 N ATOM 2073 CA LEU A 130 -7.176 4.483 20.411 1.00 0.00 C ATOM 2074 C LEU A 130 -5.974 3.930 19.653 1.00 0.00 C ATOM 2075 O LEU A 130 -5.389 2.936 20.033 1.00 0.00 O ATOM 2076 CB LEU A 130 -8.446 4.191 19.615 1.00 0.00 C ATOM 2077 CG LEU A 130 -9.669 4.615 20.423 1.00 0.00 C ATOM 2078 CD1 LEU A 130 -10.717 5.195 19.481 1.00 0.00 C ATOM 2079 CD2 LEU A 130 -10.257 3.400 21.135 1.00 0.00 C ATOM 0 H LEU A 130 -7.693 6.522 20.050 1.00 0.00 H new ATOM 0 HA LEU A 130 -7.246 4.017 21.394 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -8.422 4.726 18.665 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -8.504 3.128 19.381 1.00 0.00 H new ATOM 0 HG LEU A 130 -9.376 5.364 21.159 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -11.593 5.499 20.054 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -10.303 6.061 18.964 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -11.006 4.440 18.750 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -11.130 3.704 21.712 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -10.551 2.653 20.398 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -9.510 2.974 21.805 1.00 0.00 H new ATOM 2091 N ALA A 131 -5.585 4.587 18.596 1.00 0.00 N ATOM 2092 CA ALA A 131 -4.404 4.116 17.831 1.00 0.00 C ATOM 2093 C ALA A 131 -3.162 4.538 18.602 1.00 0.00 C ATOM 2094 O ALA A 131 -2.265 5.168 18.077 1.00 0.00 O ATOM 2095 CB ALA A 131 -4.399 4.750 16.443 1.00 0.00 C ATOM 0 H ALA A 131 -6.034 5.427 18.232 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.429 3.033 17.710 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -3.530 4.400 15.886 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -5.308 4.468 15.911 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.356 5.835 16.539 1.00 0.00 H new ATOM 2101 N GLN A 132 -3.129 4.193 19.856 1.00 0.00 N ATOM 2102 CA GLN A 132 -1.978 4.556 20.730 1.00 0.00 C ATOM 2103 C GLN A 132 -0.682 4.478 19.935 1.00 0.00 C ATOM 2104 O GLN A 132 0.233 5.250 20.142 1.00 0.00 O ATOM 2105 CB GLN A 132 -1.906 3.562 21.884 1.00 0.00 C ATOM 2106 CG GLN A 132 -2.218 2.164 21.353 1.00 0.00 C ATOM 2107 CD GLN A 132 -1.238 1.161 21.958 1.00 0.00 C ATOM 2108 OE1 GLN A 132 0.045 1.347 21.798 1.00 0.00 O flip ATOM 2109 NE2 GLN A 132 -1.640 0.199 22.581 1.00 0.00 N flip ATOM 0 H GLN A 132 -3.865 3.664 20.323 1.00 0.00 H new ATOM 0 HA GLN A 132 -2.113 5.570 21.107 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -0.914 3.581 22.336 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -2.617 3.837 22.663 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -3.241 1.887 21.606 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -2.144 2.151 20.266 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -2.642 0.054 22.706 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -0.976 -0.464 22.980 1.00 0.00 H new ATOM 2118 N PHE A 133 -0.590 3.553 19.026 1.00 0.00 N ATOM 2119 CA PHE A 133 0.655 3.437 18.227 1.00 0.00 C ATOM 2120 C PHE A 133 0.941 4.788 17.566 1.00 0.00 C ATOM 2121 O PHE A 133 0.128 5.317 16.832 1.00 0.00 O ATOM 2122 CB PHE A 133 0.469 2.360 17.156 1.00 0.00 C ATOM 2123 CG PHE A 133 -0.139 1.123 17.778 1.00 0.00 C ATOM 2124 CD1 PHE A 133 0.250 0.705 19.056 1.00 0.00 C ATOM 2125 CD2 PHE A 133 -1.102 0.393 17.069 1.00 0.00 C ATOM 2126 CE1 PHE A 133 -0.323 -0.438 19.625 1.00 0.00 C ATOM 2127 CE2 PHE A 133 -1.672 -0.751 17.637 1.00 0.00 C ATOM 2128 CZ PHE A 133 -1.283 -1.165 18.914 1.00 0.00 C ATOM 0 H PHE A 133 -1.319 2.876 18.803 1.00 0.00 H new ATOM 0 HA PHE A 133 1.492 3.159 18.868 1.00 0.00 H new ATOM 0 HB2 PHE A 133 -0.175 2.733 16.360 1.00 0.00 H new ATOM 0 HB3 PHE A 133 1.429 2.116 16.701 1.00 0.00 H new ATOM 0 HD1 PHE A 133 0.993 1.265 19.604 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -1.404 0.714 16.083 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -0.024 -0.758 20.612 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -2.413 -1.314 17.089 1.00 0.00 H new ATOM 0 HZ PHE A 133 -1.725 -2.048 19.352 1.00 0.00 H new ATOM 2138 N LYS A 134 2.089 5.352 17.829 1.00 0.00 N ATOM 2139 CA LYS A 134 2.438 6.675 17.237 1.00 0.00 C ATOM 2140 C LYS A 134 2.360 6.612 15.713 1.00 0.00 C ATOM 2141 O LYS A 134 1.971 7.562 15.058 1.00 0.00 O ATOM 2142 CB LYS A 134 3.863 7.046 17.648 1.00 0.00 C ATOM 2143 CG LYS A 134 4.225 8.409 17.061 1.00 0.00 C ATOM 2144 CD LYS A 134 5.670 8.751 17.415 1.00 0.00 C ATOM 2145 CE LYS A 134 6.002 10.153 16.897 1.00 0.00 C ATOM 2146 NZ LYS A 134 5.465 10.311 15.515 1.00 0.00 N ATOM 0 H LYS A 134 2.805 4.949 18.433 1.00 0.00 H new ATOM 0 HA LYS A 134 1.733 7.423 17.599 1.00 0.00 H new ATOM 0 HB2 LYS A 134 3.944 7.073 18.735 1.00 0.00 H new ATOM 0 HB3 LYS A 134 4.563 6.289 17.295 1.00 0.00 H new ATOM 0 HG2 LYS A 134 4.099 8.395 15.978 1.00 0.00 H new ATOM 0 HG3 LYS A 134 3.554 9.174 17.451 1.00 0.00 H new ATOM 0 HD2 LYS A 134 5.812 8.707 18.495 1.00 0.00 H new ATOM 0 HD3 LYS A 134 6.347 8.019 16.975 1.00 0.00 H new ATOM 0 HE2 LYS A 134 5.570 10.907 17.555 1.00 0.00 H new ATOM 0 HE3 LYS A 134 7.081 10.307 16.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 5.992 11.059 15.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 5.569 9.415 14.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 4.459 10.569 15.561 1.00 0.00 H new ATOM 2160 N GLU A 135 2.739 5.509 15.143 1.00 0.00 N ATOM 2161 CA GLU A 135 2.706 5.387 13.661 1.00 0.00 C ATOM 2162 C GLU A 135 1.299 5.687 13.159 1.00 0.00 C ATOM 2163 O GLU A 135 1.107 6.406 12.200 1.00 0.00 O ATOM 2164 CB GLU A 135 3.047 3.953 13.277 1.00 0.00 C ATOM 2165 CG GLU A 135 4.222 3.472 14.121 1.00 0.00 C ATOM 2166 CD GLU A 135 4.578 2.040 13.728 1.00 0.00 C ATOM 2167 OE1 GLU A 135 3.810 1.444 12.994 1.00 0.00 O ATOM 2168 OE2 GLU A 135 5.610 1.563 14.172 1.00 0.00 O ATOM 0 H GLU A 135 3.072 4.682 15.639 1.00 0.00 H new ATOM 0 HA GLU A 135 3.420 6.085 13.224 1.00 0.00 H new ATOM 0 HB2 GLU A 135 2.183 3.307 13.434 1.00 0.00 H new ATOM 0 HB3 GLU A 135 3.298 3.898 12.218 1.00 0.00 H new ATOM 0 HG2 GLU A 135 5.082 4.126 13.973 1.00 0.00 H new ATOM 0 HG3 GLU A 135 3.966 3.517 15.180 1.00 0.00 H new ATOM 2176 N MET A 136 0.317 5.124 13.798 1.00 0.00 N ATOM 2177 CA MET A 136 -1.078 5.351 13.361 1.00 0.00 C ATOM 2178 C MET A 136 -1.522 6.746 13.782 1.00 0.00 C ATOM 2179 O MET A 136 -2.117 7.474 13.009 1.00 0.00 O ATOM 2180 CB MET A 136 -1.961 4.284 13.999 1.00 0.00 C ATOM 2181 CG MET A 136 -1.382 2.906 13.666 1.00 0.00 C ATOM 2182 SD MET A 136 -1.068 2.785 11.887 1.00 0.00 S ATOM 2183 CE MET A 136 -2.694 3.324 11.304 1.00 0.00 C ATOM 0 H MET A 136 0.424 4.514 14.608 1.00 0.00 H new ATOM 0 HA MET A 136 -1.157 5.282 12.276 1.00 0.00 H new ATOM 0 HB2 MET A 136 -2.004 4.425 15.079 1.00 0.00 H new ATOM 0 HB3 MET A 136 -2.982 4.365 13.626 1.00 0.00 H new ATOM 0 HG2 MET A 136 -0.456 2.747 14.219 1.00 0.00 H new ATOM 0 HG3 MET A 136 -2.077 2.125 13.976 1.00 0.00 H new ATOM 0 HE1 MET A 136 -2.884 2.904 10.316 1.00 0.00 H new ATOM 0 HE2 MET A 136 -3.461 2.981 11.998 1.00 0.00 H new ATOM 0 HE3 MET A 136 -2.717 4.412 11.246 1.00 0.00 H new ATOM 2193 N LYS A 137 -1.212 7.149 14.982 1.00 0.00 N ATOM 2194 CA LYS A 137 -1.594 8.521 15.395 1.00 0.00 C ATOM 2195 C LYS A 137 -0.960 9.465 14.388 1.00 0.00 C ATOM 2196 O LYS A 137 -1.514 10.487 14.041 1.00 0.00 O ATOM 2197 CB LYS A 137 -1.074 8.811 16.805 1.00 0.00 C ATOM 2198 CG LYS A 137 -2.015 8.172 17.832 1.00 0.00 C ATOM 2199 CD LYS A 137 -1.213 7.408 18.885 1.00 0.00 C ATOM 2200 CE LYS A 137 -0.461 8.375 19.801 1.00 0.00 C ATOM 2201 NZ LYS A 137 -0.094 9.606 19.047 1.00 0.00 N ATOM 0 H LYS A 137 -0.719 6.596 15.683 1.00 0.00 H new ATOM 0 HA LYS A 137 -2.677 8.643 15.417 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -0.066 8.414 16.922 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -1.014 9.887 16.969 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -2.617 8.943 18.313 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -2.706 7.495 17.330 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -1.883 6.785 19.478 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -0.505 6.739 18.395 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -1.082 8.635 20.658 1.00 0.00 H new ATOM 0 HE3 LYS A 137 0.437 7.896 20.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 0.461 10.236 19.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 0.472 9.347 18.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -0.959 10.095 18.739 1.00 0.00 H new ATOM 2215 N ALA A 138 0.196 9.097 13.894 1.00 0.00 N ATOM 2216 CA ALA A 138 0.882 9.928 12.870 1.00 0.00 C ATOM 2217 C ALA A 138 0.188 9.722 11.521 1.00 0.00 C ATOM 2218 O ALA A 138 -0.127 10.664 10.821 1.00 0.00 O ATOM 2219 CB ALA A 138 2.340 9.502 12.757 1.00 0.00 C ATOM 0 H ALA A 138 0.694 8.248 14.162 1.00 0.00 H new ATOM 0 HA ALA A 138 0.836 10.978 13.158 1.00 0.00 H new ATOM 0 HB1 ALA A 138 2.840 10.113 12.006 1.00 0.00 H new ATOM 0 HB2 ALA A 138 2.833 9.635 13.720 1.00 0.00 H new ATOM 0 HB3 ALA A 138 2.391 8.453 12.465 1.00 0.00 H new ATOM 2225 N ALA A 139 -0.066 8.488 11.156 1.00 0.00 N ATOM 2226 CA ALA A 139 -0.753 8.220 9.860 1.00 0.00 C ATOM 2227 C ALA A 139 -2.093 8.946 9.880 1.00 0.00 C ATOM 2228 O ALA A 139 -2.444 9.666 8.966 1.00 0.00 O ATOM 2229 CB ALA A 139 -0.994 6.717 9.711 1.00 0.00 C ATOM 0 H ALA A 139 0.173 7.659 11.700 1.00 0.00 H new ATOM 0 HA ALA A 139 -0.142 8.567 9.027 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.496 6.521 8.764 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -0.039 6.192 9.731 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -1.619 6.365 10.532 1.00 0.00 H new ATOM 2235 N LEU A 140 -2.825 8.779 10.944 1.00 0.00 N ATOM 2236 CA LEU A 140 -4.127 9.477 11.073 1.00 0.00 C ATOM 2237 C LEU A 140 -3.839 10.978 11.109 1.00 0.00 C ATOM 2238 O LEU A 140 -4.625 11.792 10.666 1.00 0.00 O ATOM 2239 CB LEU A 140 -4.790 9.043 12.383 1.00 0.00 C ATOM 2240 CG LEU A 140 -4.914 7.512 12.403 1.00 0.00 C ATOM 2241 CD1 LEU A 140 -4.862 7.001 13.843 1.00 0.00 C ATOM 2242 CD2 LEU A 140 -6.242 7.084 11.771 1.00 0.00 C ATOM 0 H LEU A 140 -2.573 8.184 11.734 1.00 0.00 H new ATOM 0 HA LEU A 140 -4.791 9.238 10.242 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -4.199 9.383 13.234 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -5.775 9.501 12.475 1.00 0.00 H new ATOM 0 HG LEU A 140 -4.085 7.090 11.834 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -4.951 5.915 13.847 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -3.914 7.289 14.297 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -5.684 7.434 14.413 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -6.320 5.997 11.790 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -7.069 7.517 12.334 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -6.283 7.433 10.739 1.00 0.00 H new ATOM 2254 N GLN A 141 -2.699 11.335 11.643 1.00 0.00 N ATOM 2255 CA GLN A 141 -2.303 12.770 11.737 1.00 0.00 C ATOM 2256 C GLN A 141 -1.861 13.297 10.373 1.00 0.00 C ATOM 2257 O GLN A 141 -2.326 14.319 9.911 1.00 0.00 O ATOM 2258 CB GLN A 141 -1.128 12.887 12.709 1.00 0.00 C ATOM 2259 CG GLN A 141 -1.623 13.387 14.063 1.00 0.00 C ATOM 2260 CD GLN A 141 -1.886 14.889 13.976 1.00 0.00 C ATOM 2261 OE1 GLN A 141 -1.758 15.488 12.823 1.00 0.00 O flip ATOM 2262 NE2 GLN A 141 -2.211 15.522 14.959 1.00 0.00 N flip ATOM 0 H GLN A 141 -2.016 10.681 12.024 1.00 0.00 H new ATOM 0 HA GLN A 141 -3.157 13.353 12.082 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -0.642 11.918 12.825 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -0.381 13.572 12.309 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -2.535 12.862 14.347 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -0.882 13.179 14.834 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -2.310 15.052 15.859 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -2.385 16.524 14.886 1.00 0.00 H new ATOM 2271 N GLU A 142 -0.952 12.618 9.728 1.00 0.00 N ATOM 2272 CA GLU A 142 -0.473 13.097 8.404 1.00 0.00 C ATOM 2273 C GLU A 142 -1.628 13.065 7.404 1.00 0.00 C ATOM 2274 O GLU A 142 -1.745 13.921 6.550 1.00 0.00 O ATOM 2275 CB GLU A 142 0.665 12.200 7.913 1.00 0.00 C ATOM 2276 CG GLU A 142 1.849 12.295 8.882 1.00 0.00 C ATOM 2277 CD GLU A 142 2.374 13.732 8.912 1.00 0.00 C ATOM 2278 OE1 GLU A 142 3.067 14.068 9.857 1.00 0.00 O ATOM 2279 OE2 GLU A 142 2.077 14.470 7.986 1.00 0.00 O ATOM 0 H GLU A 142 -0.522 11.755 10.061 1.00 0.00 H new ATOM 0 HA GLU A 142 -0.106 14.119 8.498 1.00 0.00 H new ATOM 0 HB2 GLU A 142 0.323 11.168 7.841 1.00 0.00 H new ATOM 0 HB3 GLU A 142 0.975 12.503 6.913 1.00 0.00 H new ATOM 0 HG2 GLU A 142 1.539 11.989 9.881 1.00 0.00 H new ATOM 0 HG3 GLU A 142 2.641 11.614 8.572 1.00 0.00 H new ATOM 2287 N GLY A 143 -2.490 12.089 7.504 1.00 0.00 N ATOM 2288 CA GLY A 143 -3.638 12.022 6.561 1.00 0.00 C ATOM 2289 C GLY A 143 -4.506 13.267 6.742 1.00 0.00 C ATOM 2290 O GLY A 143 -4.821 13.960 5.796 1.00 0.00 O ATOM 0 H GLY A 143 -2.448 11.340 8.195 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -3.278 11.960 5.534 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -4.226 11.123 6.747 1.00 0.00 H new ATOM 2294 N HIS A 144 -4.884 13.566 7.957 1.00 0.00 N ATOM 2295 CA HIS A 144 -5.717 14.775 8.199 1.00 0.00 C ATOM 2296 C HIS A 144 -4.925 16.011 7.783 1.00 0.00 C ATOM 2297 O HIS A 144 -5.442 16.926 7.172 1.00 0.00 O ATOM 2298 CB HIS A 144 -6.061 14.872 9.687 1.00 0.00 C ATOM 2299 CG HIS A 144 -7.111 15.930 9.892 1.00 0.00 C ATOM 2300 ND1 HIS A 144 -7.823 16.700 9.004 1.00 0.00 N flip ATOM 2301 CD2 HIS A 144 -7.550 16.302 11.155 1.00 0.00 C flip ATOM 2302 CE1 HIS A 144 -8.687 17.535 9.702 1.00 0.00 C flip ATOM 2303 NE2 HIS A 144 -8.485 17.259 10.992 1.00 0.00 N flip ATOM 0 H HIS A 144 -4.651 13.025 8.790 1.00 0.00 H new ATOM 0 HA HIS A 144 -6.638 14.709 7.620 1.00 0.00 H new ATOM 0 HB2 HIS A 144 -6.423 13.910 10.051 1.00 0.00 H new ATOM 0 HB3 HIS A 144 -5.168 15.115 10.262 1.00 0.00 H new ATOM 0 HD2 HIS A 144 -7.206 15.899 12.096 1.00 0.00 H new ATOM 0 HE1 HIS A 144 -9.377 18.256 9.288 1.00 0.00 H new ATOM 0 HE2 HIS A 144 -8.977 17.716 11.760 1.00 0.00 H new ATOM 2312 N GLN A 145 -3.663 16.036 8.115 1.00 0.00 N ATOM 2313 CA GLN A 145 -2.811 17.201 7.750 1.00 0.00 C ATOM 2314 C GLN A 145 -2.870 17.429 6.238 1.00 0.00 C ATOM 2315 O GLN A 145 -2.944 18.547 5.772 1.00 0.00 O ATOM 2316 CB GLN A 145 -1.366 16.906 8.161 1.00 0.00 C ATOM 2317 CG GLN A 145 -0.508 18.153 7.944 1.00 0.00 C ATOM 2318 CD GLN A 145 -0.875 19.212 8.983 1.00 0.00 C ATOM 2319 OE1 GLN A 145 -1.023 18.911 10.151 1.00 0.00 O ATOM 2320 NE2 GLN A 145 -1.027 20.453 8.606 1.00 0.00 N ATOM 0 H GLN A 145 -3.184 15.295 8.626 1.00 0.00 H new ATOM 0 HA GLN A 145 -3.171 18.093 8.262 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -1.329 16.604 9.208 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -0.973 16.075 7.575 1.00 0.00 H new ATOM 0 HG2 GLN A 145 0.549 17.899 8.026 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -0.665 18.545 6.939 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -0.903 20.707 7.626 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -1.270 21.168 9.292 1.00 0.00 H new ATOM 2329 N PHE A 146 -2.822 16.376 5.467 1.00 0.00 N ATOM 2330 CA PHE A 146 -2.862 16.537 3.985 1.00 0.00 C ATOM 2331 C PHE A 146 -4.274 16.898 3.515 1.00 0.00 C ATOM 2332 O PHE A 146 -4.463 17.830 2.761 1.00 0.00 O ATOM 2333 CB PHE A 146 -2.423 15.237 3.320 1.00 0.00 C ATOM 2334 CG PHE A 146 -2.486 15.406 1.822 1.00 0.00 C ATOM 2335 CD1 PHE A 146 -3.714 15.308 1.166 1.00 0.00 C ATOM 2336 CD2 PHE A 146 -1.319 15.662 1.092 1.00 0.00 C ATOM 2337 CE1 PHE A 146 -3.785 15.466 -0.222 1.00 0.00 C ATOM 2338 CE2 PHE A 146 -1.386 15.819 -0.298 1.00 0.00 C ATOM 2339 CZ PHE A 146 -2.618 15.721 -0.955 1.00 0.00 C ATOM 0 H PHE A 146 -2.757 15.414 5.798 1.00 0.00 H new ATOM 0 HA PHE A 146 -2.185 17.345 3.706 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -1.409 14.980 3.628 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -3.069 14.417 3.634 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -4.612 15.110 1.732 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -0.369 15.738 1.600 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -4.737 15.392 -0.727 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -0.487 16.016 -0.863 1.00 0.00 H new ATOM 0 HZ PHE A 146 -2.669 15.842 -2.027 1.00 0.00 H new ATOM 2349 N LEU A 147 -5.268 16.164 3.941 1.00 0.00 N ATOM 2350 CA LEU A 147 -6.654 16.480 3.493 1.00 0.00 C ATOM 2351 C LEU A 147 -6.954 17.947 3.797 1.00 0.00 C ATOM 2352 O LEU A 147 -7.607 18.627 3.032 1.00 0.00 O ATOM 2353 CB LEU A 147 -7.657 15.576 4.216 1.00 0.00 C ATOM 2354 CG LEU A 147 -7.381 14.115 3.853 1.00 0.00 C ATOM 2355 CD1 LEU A 147 -8.406 13.214 4.537 1.00 0.00 C ATOM 2356 CD2 LEU A 147 -7.495 13.926 2.341 1.00 0.00 C ATOM 0 H LEU A 147 -5.181 15.368 4.573 1.00 0.00 H new ATOM 0 HA LEU A 147 -6.741 16.306 2.421 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -7.577 15.715 5.294 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -8.675 15.846 3.934 1.00 0.00 H new ATOM 0 HG LEU A 147 -6.376 13.854 4.183 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -8.207 12.174 4.277 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -8.335 13.338 5.618 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -9.408 13.486 4.205 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -7.297 12.884 2.089 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -8.500 14.194 2.016 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -6.769 14.565 1.839 1.00 0.00 H new ATOM 2368 N CYS A 148 -6.462 18.446 4.895 1.00 0.00 N ATOM 2369 CA CYS A 148 -6.698 19.877 5.229 1.00 0.00 C ATOM 2370 C CYS A 148 -5.909 20.746 4.246 1.00 0.00 C ATOM 2371 O CYS A 148 -6.094 21.945 4.166 1.00 0.00 O ATOM 2372 CB CYS A 148 -6.217 20.159 6.655 1.00 0.00 C ATOM 2373 SG CYS A 148 -7.321 19.346 7.838 1.00 0.00 S ATOM 0 H CYS A 148 -5.907 17.926 5.575 1.00 0.00 H new ATOM 0 HA CYS A 148 -7.762 20.103 5.159 1.00 0.00 H new ATOM 0 HB2 CYS A 148 -5.197 19.796 6.784 1.00 0.00 H new ATOM 0 HB3 CYS A 148 -6.199 21.233 6.838 1.00 0.00 H new ATOM 0 HG CYS A 148 -7.035 18.079 7.899 1.00 0.00 H new ATOM 2379 N SER A 149 -5.015 20.141 3.509 1.00 0.00 N ATOM 2380 CA SER A 149 -4.184 20.911 2.538 1.00 0.00 C ATOM 2381 C SER A 149 -4.851 20.952 1.161 1.00 0.00 C ATOM 2382 O SER A 149 -4.453 21.707 0.298 1.00 0.00 O ATOM 2383 CB SER A 149 -2.824 20.230 2.400 1.00 0.00 C ATOM 2384 OG SER A 149 -1.797 21.141 2.763 1.00 0.00 O ATOM 0 H SER A 149 -4.824 19.140 3.539 1.00 0.00 H new ATOM 0 HA SER A 149 -4.073 21.930 2.908 1.00 0.00 H new ATOM 0 HB2 SER A 149 -2.782 19.346 3.037 1.00 0.00 H new ATOM 0 HB3 SER A 149 -2.678 19.891 1.374 1.00 0.00 H new ATOM 0 HG SER A 149 -0.925 20.703 2.676 1.00 0.00 H new ATOM 2390 N ILE A 150 -5.844 20.139 0.930 1.00 0.00 N ATOM 2391 CA ILE A 150 -6.495 20.142 -0.409 1.00 0.00 C ATOM 2392 C ILE A 150 -7.418 21.351 -0.529 1.00 0.00 C ATOM 2393 O ILE A 150 -7.025 22.479 -0.302 1.00 0.00 O ATOM 2394 CB ILE A 150 -7.312 18.862 -0.595 1.00 0.00 C ATOM 2395 CG1 ILE A 150 -6.613 17.692 0.098 1.00 0.00 C ATOM 2396 CG2 ILE A 150 -7.426 18.557 -2.087 1.00 0.00 C ATOM 2397 CD1 ILE A 150 -7.523 16.461 0.047 1.00 0.00 C ATOM 0 H ILE A 150 -6.230 19.478 1.604 1.00 0.00 H new ATOM 0 HA ILE A 150 -5.724 20.193 -1.177 1.00 0.00 H new ATOM 0 HB ILE A 150 -8.302 19.001 -0.161 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -5.663 17.478 -0.392 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -6.386 17.949 1.133 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -8.007 17.646 -2.229 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -7.923 19.386 -2.591 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -6.430 18.421 -2.508 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -7.030 15.623 0.540 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -8.461 16.681 0.557 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -7.727 16.202 -0.992 1.00 0.00 H new