USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 612 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 17 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Set 1.2: A 25 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.373 USER MOD Single : A 28 ASN : amide:sc= -1.13 K(o=-1.1,f=-2.2) USER MOD Single : A 29 GLN : amide:sc= -0.0704 X(o=-0.07,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 46 THR OG1 : rot 68:sc= 0.00398 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot 97:sc= 0.96 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.181 K(o=-0.18,f=-2!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -4:sc= -0.0192 USER MOD Single : A 59 MET CE :methyl 140:sc= -0.164 (180deg=-0.875) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0788 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 151 N ILE A 13 -11.967 -8.719 11.684 1.00 0.00 N ATOM 152 CA ILE A 13 -11.653 -7.373 11.219 1.00 0.00 C ATOM 153 C ILE A 13 -10.231 -6.978 11.601 1.00 0.00 C ATOM 154 O ILE A 13 -9.662 -7.512 12.552 1.00 0.00 O ATOM 155 CB ILE A 13 -12.635 -6.335 11.793 1.00 0.00 C ATOM 156 CG1 ILE A 13 -14.077 -6.818 11.625 1.00 0.00 C ATOM 157 CG2 ILE A 13 -12.439 -4.988 11.114 1.00 0.00 C ATOM 158 CD1 ILE A 13 -15.095 -5.930 12.307 1.00 0.00 C ATOM 0 HA ILE A 13 -11.745 -7.385 10.133 1.00 0.00 H new ATOM 0 HB ILE A 13 -12.433 -6.216 12.858 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -14.311 -6.875 10.562 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -14.162 -7.828 12.025 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -13.140 -4.265 11.531 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.419 -4.642 11.281 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -12.617 -5.091 10.044 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -16.095 -6.333 12.146 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -14.887 -5.892 13.376 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -15.038 -4.924 11.890 1.00 0.00 H new ATOM 170 N ALA A 14 -9.663 -6.036 10.855 1.00 0.00 N ATOM 171 CA ALA A 14 -8.309 -5.565 11.118 1.00 0.00 C ATOM 172 C ALA A 14 -8.214 -4.051 10.963 1.00 0.00 C ATOM 173 O ALA A 14 -8.936 -3.453 10.165 1.00 0.00 O ATOM 174 CB ALA A 14 -7.320 -6.256 10.191 1.00 0.00 C ATOM 0 H ALA A 14 -10.120 -5.584 10.063 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.058 -5.814 12.149 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -6.313 -5.894 10.399 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.360 -7.333 10.354 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.578 -6.036 9.155 1.00 0.00 H new ATOM 180 N ARG A 15 -7.320 -3.437 11.731 1.00 0.00 N ATOM 181 CA ARG A 15 -7.133 -1.992 11.679 1.00 0.00 C ATOM 182 C ARG A 15 -5.854 -1.636 10.926 1.00 0.00 C ATOM 183 O ARG A 15 -4.815 -2.269 11.115 1.00 0.00 O ATOM 184 CB ARG A 15 -7.082 -1.412 13.094 1.00 0.00 C ATOM 185 CG ARG A 15 -8.436 -0.957 13.614 1.00 0.00 C ATOM 186 CD ARG A 15 -8.859 0.362 12.987 1.00 0.00 C ATOM 187 NE ARG A 15 -8.406 1.509 13.769 1.00 0.00 N ATOM 188 CZ ARG A 15 -9.035 1.958 14.849 1.00 0.00 C ATOM 189 NH1 ARG A 15 -10.139 1.359 15.274 1.00 0.00 N ATOM 190 NH2 ARG A 15 -8.561 3.008 15.507 1.00 0.00 N ATOM 0 H ARG A 15 -6.714 -3.917 12.396 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.980 -1.560 11.146 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.676 -2.163 13.771 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.394 -0.566 13.107 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.184 -1.720 13.399 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.393 -0.849 14.698 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -8.455 0.429 11.977 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -9.945 0.390 12.898 1.00 0.00 H new ATOM 0 HE ARG A 15 -7.559 1.992 13.469 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -10.507 0.551 14.771 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -10.620 1.706 16.104 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -7.712 3.472 15.184 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -9.046 3.351 16.336 1.00 0.00 H new ATOM 204 N ILE A 16 -5.939 -0.621 10.074 1.00 0.00 N ATOM 205 CA ILE A 16 -4.789 -0.181 9.293 1.00 0.00 C ATOM 206 C ILE A 16 -4.799 1.332 9.105 1.00 0.00 C ATOM 207 O ILE A 16 -5.614 1.868 8.355 1.00 0.00 O ATOM 208 CB ILE A 16 -4.754 -0.859 7.911 1.00 0.00 C ATOM 209 CG1 ILE A 16 -5.016 -2.360 8.048 1.00 0.00 C ATOM 210 CG2 ILE A 16 -3.416 -0.609 7.232 1.00 0.00 C ATOM 211 CD1 ILE A 16 -3.812 -3.142 8.524 1.00 0.00 C ATOM 0 H ILE A 16 -6.792 -0.087 9.906 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.899 -0.469 9.852 1.00 0.00 H new ATOM 0 HB ILE A 16 -5.540 -0.427 7.291 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -5.839 -2.515 8.746 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.337 -2.754 7.084 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.407 -1.095 6.256 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.267 0.463 7.105 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.614 -1.016 7.847 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.070 -4.198 8.598 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.994 -3.017 7.815 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.503 -2.775 9.503 1.00 0.00 H new ATOM 223 N GLN A 17 -3.886 2.014 9.789 1.00 0.00 N ATOM 224 CA GLN A 17 -3.790 3.466 9.696 1.00 0.00 C ATOM 225 C GLN A 17 -2.900 3.879 8.527 1.00 0.00 C ATOM 226 O GLN A 17 -1.929 3.196 8.202 1.00 0.00 O ATOM 227 CB GLN A 17 -3.241 4.047 11.000 1.00 0.00 C ATOM 228 CG GLN A 17 -3.028 5.552 10.954 1.00 0.00 C ATOM 229 CD GLN A 17 -2.701 6.136 12.314 1.00 0.00 C ATOM 230 OE1 GLN A 17 -1.980 5.529 13.106 1.00 0.00 O ATOM 231 NE2 GLN A 17 -3.229 7.322 12.592 1.00 0.00 N ATOM 0 H GLN A 17 -3.203 1.585 10.413 1.00 0.00 H new ATOM 0 HA GLN A 17 -4.791 3.861 9.524 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.929 3.811 11.811 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -2.294 3.561 11.234 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -2.218 5.780 10.261 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.926 6.031 10.563 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.821 7.790 11.906 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.042 7.765 13.492 1.00 0.00 H new ATOM 240 N PHE A 18 -3.239 5.000 7.899 1.00 0.00 N ATOM 241 CA PHE A 18 -2.472 5.502 6.765 1.00 0.00 C ATOM 242 C PHE A 18 -2.000 6.931 7.019 1.00 0.00 C ATOM 243 O PHE A 18 -2.799 7.867 7.033 1.00 0.00 O ATOM 244 CB PHE A 18 -3.314 5.451 5.489 1.00 0.00 C ATOM 245 CG PHE A 18 -3.520 4.059 4.963 1.00 0.00 C ATOM 246 CD1 PHE A 18 -2.626 3.506 4.060 1.00 0.00 C ATOM 247 CD2 PHE A 18 -4.607 3.304 5.371 1.00 0.00 C ATOM 248 CE1 PHE A 18 -2.813 2.226 3.574 1.00 0.00 C ATOM 249 CE2 PHE A 18 -4.800 2.023 4.888 1.00 0.00 C ATOM 250 CZ PHE A 18 -3.901 1.483 3.989 1.00 0.00 C ATOM 0 H PHE A 18 -4.039 5.578 8.156 1.00 0.00 H new ATOM 0 HA PHE A 18 -1.597 4.865 6.640 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.286 5.904 5.686 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.831 6.054 4.720 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.773 4.082 3.732 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.312 3.721 6.075 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.109 1.807 2.870 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.653 1.445 5.213 1.00 0.00 H new ATOM 0 HZ PHE A 18 -4.048 0.482 3.611 1.00 0.00 H new ATOM 260 N ARG A 19 -0.696 7.090 7.220 1.00 0.00 N ATOM 261 CA ARG A 19 -0.116 8.403 7.475 1.00 0.00 C ATOM 262 C ARG A 19 0.281 9.085 6.169 1.00 0.00 C ATOM 263 O ARG A 19 0.945 8.487 5.321 1.00 0.00 O ATOM 264 CB ARG A 19 1.104 8.277 8.389 1.00 0.00 C ATOM 265 CG ARG A 19 0.775 7.743 9.774 1.00 0.00 C ATOM 266 CD ARG A 19 1.734 8.285 10.822 1.00 0.00 C ATOM 267 NE ARG A 19 1.431 9.669 11.177 1.00 0.00 N ATOM 268 CZ ARG A 19 0.459 10.018 12.013 1.00 0.00 C ATOM 269 NH1 ARG A 19 -0.299 9.089 12.578 1.00 0.00 N ATOM 270 NH2 ARG A 19 0.245 11.299 12.286 1.00 0.00 N ATOM 0 H ARG A 19 -0.021 6.325 7.211 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.870 9.015 7.970 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.833 7.618 7.918 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.576 9.255 8.488 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.247 8.017 10.038 1.00 0.00 H new ATOM 0 HG3 ARG A 19 0.821 6.654 9.766 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.684 7.662 11.715 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.755 8.222 10.446 1.00 0.00 H new ATOM 0 HE ARG A 19 1.997 10.408 10.760 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.137 8.103 12.371 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.044 9.360 13.219 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.827 12.017 11.854 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.501 11.566 12.928 1.00 0.00 H new ATOM 284 N LEU A 20 -0.129 10.339 6.014 1.00 0.00 N ATOM 285 CA LEU A 20 0.183 11.103 4.811 1.00 0.00 C ATOM 286 C LEU A 20 1.253 12.152 5.095 1.00 0.00 C ATOM 287 O LEU A 20 1.401 12.635 6.218 1.00 0.00 O ATOM 288 CB LEU A 20 -1.078 11.777 4.269 1.00 0.00 C ATOM 289 CG LEU A 20 -2.118 10.849 3.639 1.00 0.00 C ATOM 290 CD1 LEU A 20 -3.359 11.632 3.239 1.00 0.00 C ATOM 291 CD2 LEU A 20 -1.529 10.128 2.436 1.00 0.00 C ATOM 0 H LEU A 20 -0.678 10.848 6.706 1.00 0.00 H new ATOM 0 HA LEU A 20 0.568 10.412 4.061 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.553 12.322 5.084 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.780 12.515 3.524 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.407 10.103 4.379 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.088 10.956 2.793 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.793 12.102 4.122 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.087 12.401 2.516 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.283 9.472 2.000 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.211 10.860 1.693 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.671 9.535 2.752 1.00 0.00 H new ATOM 303 N PRO A 21 2.015 12.517 4.054 1.00 0.00 N ATOM 304 CA PRO A 21 3.083 13.516 4.166 1.00 0.00 C ATOM 305 C PRO A 21 2.539 14.923 4.387 1.00 0.00 C ATOM 306 O PRO A 21 3.286 15.841 4.726 1.00 0.00 O ATOM 307 CB PRO A 21 3.797 13.425 2.815 1.00 0.00 C ATOM 308 CG PRO A 21 2.765 12.903 1.875 1.00 0.00 C ATOM 309 CD PRO A 21 1.894 11.984 2.686 1.00 0.00 C ATOM 0 HA PRO A 21 3.732 13.325 5.020 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.166 14.400 2.496 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.658 12.759 2.867 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.181 13.717 1.446 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.228 12.370 1.044 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.861 11.999 2.339 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.235 10.950 2.626 1.00 0.00 H new ATOM 317 N ASP A 22 1.235 15.086 4.193 1.00 0.00 N ATOM 318 CA ASP A 22 0.591 16.382 4.373 1.00 0.00 C ATOM 319 C ASP A 22 0.307 16.648 5.848 1.00 0.00 C ATOM 320 O ASP A 22 0.650 17.704 6.376 1.00 0.00 O ATOM 321 CB ASP A 22 -0.710 16.444 3.571 1.00 0.00 C ATOM 322 CG ASP A 22 -1.548 17.659 3.920 1.00 0.00 C ATOM 323 OD1 ASP A 22 -0.983 18.771 3.978 1.00 0.00 O ATOM 324 OD2 ASP A 22 -2.767 17.497 4.137 1.00 0.00 O ATOM 0 H ASP A 22 0.603 14.337 3.911 1.00 0.00 H new ATOM 0 HA ASP A 22 1.271 17.152 4.008 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.477 16.461 2.506 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.291 15.540 3.756 1.00 0.00 H new ATOM 329 N GLY A 23 -0.323 15.680 6.508 1.00 0.00 N ATOM 330 CA GLY A 23 -0.644 15.830 7.916 1.00 0.00 C ATOM 331 C GLY A 23 -1.814 14.965 8.339 1.00 0.00 C ATOM 332 O GLY A 23 -1.755 14.287 9.364 1.00 0.00 O ATOM 0 H GLY A 23 -0.616 14.796 6.093 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.230 15.572 8.514 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.875 16.875 8.124 1.00 0.00 H new ATOM 336 N SER A 24 -2.883 14.990 7.548 1.00 0.00 N ATOM 337 CA SER A 24 -4.075 14.206 7.849 1.00 0.00 C ATOM 338 C SER A 24 -3.822 12.720 7.616 1.00 0.00 C ATOM 339 O SER A 24 -2.847 12.340 6.967 1.00 0.00 O ATOM 340 CB SER A 24 -5.250 14.676 6.990 1.00 0.00 C ATOM 341 OG SER A 24 -5.692 15.962 7.390 1.00 0.00 O ATOM 0 H SER A 24 -2.947 15.545 6.694 1.00 0.00 H new ATOM 0 HA SER A 24 -4.321 14.354 8.901 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.952 14.700 5.942 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.071 13.964 7.071 1.00 0.00 H new ATOM 0 HG SER A 24 -6.442 16.241 6.825 1.00 0.00 H new ATOM 347 N SER A 25 -4.707 11.884 8.150 1.00 0.00 N ATOM 348 CA SER A 25 -4.578 10.439 8.004 1.00 0.00 C ATOM 349 C SER A 25 -5.950 9.771 7.983 1.00 0.00 C ATOM 350 O SER A 25 -6.928 10.321 8.487 1.00 0.00 O ATOM 351 CB SER A 25 -3.735 9.863 9.143 1.00 0.00 C ATOM 352 OG SER A 25 -4.302 10.173 10.404 1.00 0.00 O ATOM 0 H SER A 25 -5.521 12.183 8.687 1.00 0.00 H new ATOM 0 HA SER A 25 -4.080 10.237 7.056 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.658 8.781 9.031 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.722 10.262 9.088 1.00 0.00 H new ATOM 0 HG SER A 25 -3.746 9.792 11.115 1.00 0.00 H new ATOM 358 N PHE A 26 -6.012 8.581 7.394 1.00 0.00 N ATOM 359 CA PHE A 26 -7.263 7.837 7.306 1.00 0.00 C ATOM 360 C PHE A 26 -7.043 6.363 7.633 1.00 0.00 C ATOM 361 O PHE A 26 -6.103 5.739 7.141 1.00 0.00 O ATOM 362 CB PHE A 26 -7.866 7.976 5.906 1.00 0.00 C ATOM 363 CG PHE A 26 -6.939 7.539 4.808 1.00 0.00 C ATOM 364 CD1 PHE A 26 -6.884 6.211 4.418 1.00 0.00 C ATOM 365 CD2 PHE A 26 -6.122 8.457 4.167 1.00 0.00 C ATOM 366 CE1 PHE A 26 -6.032 5.805 3.407 1.00 0.00 C ATOM 367 CE2 PHE A 26 -5.269 8.057 3.155 1.00 0.00 C ATOM 368 CZ PHE A 26 -5.223 6.730 2.776 1.00 0.00 C ATOM 0 H PHE A 26 -5.211 8.112 6.971 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.957 8.253 8.036 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.782 7.387 5.853 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.146 9.016 5.741 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.514 5.484 4.909 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.152 9.496 4.461 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.999 4.767 3.111 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.639 8.782 2.661 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.555 6.416 1.987 1.00 0.00 H new ATOM 378 N THR A 27 -7.918 5.811 8.468 1.00 0.00 N ATOM 379 CA THR A 27 -7.820 4.412 8.863 1.00 0.00 C ATOM 380 C THR A 27 -9.075 3.640 8.470 1.00 0.00 C ATOM 381 O THR A 27 -10.155 3.879 9.006 1.00 0.00 O ATOM 382 CB THR A 27 -7.600 4.271 10.381 1.00 0.00 C ATOM 383 OG1 THR A 27 -6.438 5.009 10.778 1.00 0.00 O ATOM 384 CG2 THR A 27 -7.436 2.810 10.771 1.00 0.00 C ATOM 0 H THR A 27 -8.703 6.312 8.884 1.00 0.00 H new ATOM 0 HA THR A 27 -6.961 3.995 8.338 1.00 0.00 H new ATOM 0 HB THR A 27 -8.476 4.671 10.891 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.306 4.916 11.745 1.00 0.00 H new ATOM 0 HG21 THR A 27 -7.282 2.736 11.848 1.00 0.00 H new ATOM 0 HG22 THR A 27 -8.333 2.257 10.494 1.00 0.00 H new ATOM 0 HG23 THR A 27 -6.575 2.389 10.251 1.00 0.00 H new ATOM 392 N ASN A 28 -8.923 2.713 7.529 1.00 0.00 N ATOM 393 CA ASN A 28 -10.044 1.906 7.064 1.00 0.00 C ATOM 394 C ASN A 28 -10.153 0.612 7.865 1.00 0.00 C ATOM 395 O ASN A 28 -9.416 0.405 8.829 1.00 0.00 O ATOM 396 CB ASN A 28 -9.886 1.585 5.576 1.00 0.00 C ATOM 397 CG ASN A 28 -11.221 1.427 4.874 1.00 0.00 C ATOM 398 OD1 ASN A 28 -12.113 2.264 5.015 1.00 0.00 O ATOM 399 ND2 ASN A 28 -11.364 0.349 4.111 1.00 0.00 N ATOM 0 H ASN A 28 -8.035 2.503 7.074 1.00 0.00 H new ATOM 0 HA ASN A 28 -10.958 2.481 7.210 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -9.317 2.380 5.094 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.309 0.667 5.464 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -12.240 0.189 3.613 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -10.598 -0.319 4.023 1.00 0.00 H new ATOM 406 N GLN A 29 -11.076 -0.253 7.459 1.00 0.00 N ATOM 407 CA GLN A 29 -11.281 -1.526 8.140 1.00 0.00 C ATOM 408 C GLN A 29 -11.186 -2.690 7.159 1.00 0.00 C ATOM 409 O GLN A 29 -12.041 -2.852 6.288 1.00 0.00 O ATOM 410 CB GLN A 29 -12.642 -1.542 8.838 1.00 0.00 C ATOM 411 CG GLN A 29 -12.610 -0.974 10.247 1.00 0.00 C ATOM 412 CD GLN A 29 -13.990 -0.618 10.765 1.00 0.00 C ATOM 413 OE1 GLN A 29 -14.465 0.503 10.580 1.00 0.00 O ATOM 414 NE2 GLN A 29 -14.642 -1.573 11.418 1.00 0.00 N ATOM 0 H GLN A 29 -11.694 -0.096 6.662 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.496 -1.640 8.887 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.354 -0.971 8.241 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.009 -2.568 8.877 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.151 -1.701 10.917 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.980 -0.085 10.262 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -14.210 -2.488 11.548 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -15.575 -1.392 11.789 1.00 0.00 H new ATOM 423 N PHE A 30 -10.141 -3.497 7.305 1.00 0.00 N ATOM 424 CA PHE A 30 -9.933 -4.645 6.431 1.00 0.00 C ATOM 425 C PHE A 30 -9.944 -5.946 7.229 1.00 0.00 C ATOM 426 O PHE A 30 -9.593 -5.983 8.409 1.00 0.00 O ATOM 427 CB PHE A 30 -8.608 -4.507 5.678 1.00 0.00 C ATOM 428 CG PHE A 30 -8.387 -3.138 5.101 1.00 0.00 C ATOM 429 CD1 PHE A 30 -7.748 -2.155 5.839 1.00 0.00 C ATOM 430 CD2 PHE A 30 -8.817 -2.834 3.819 1.00 0.00 C ATOM 431 CE1 PHE A 30 -7.545 -0.894 5.310 1.00 0.00 C ATOM 432 CE2 PHE A 30 -8.616 -1.576 3.285 1.00 0.00 C ATOM 433 CZ PHE A 30 -7.978 -0.605 4.031 1.00 0.00 C ATOM 0 H PHE A 30 -9.424 -3.377 8.021 1.00 0.00 H new ATOM 0 HA PHE A 30 -10.751 -4.674 5.711 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.788 -4.744 6.356 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.579 -5.241 4.873 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -7.405 -2.376 6.839 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -9.315 -3.590 3.230 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -7.048 -0.135 5.897 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -8.957 -1.352 2.285 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.818 0.379 3.615 1.00 0.00 H new ATOM 443 N PRO A 31 -10.356 -7.040 6.571 1.00 0.00 N ATOM 444 CA PRO A 31 -10.423 -8.362 7.199 1.00 0.00 C ATOM 445 C PRO A 31 -9.041 -8.938 7.487 1.00 0.00 C ATOM 446 O PRO A 31 -8.180 -8.981 6.608 1.00 0.00 O ATOM 447 CB PRO A 31 -11.150 -9.214 6.155 1.00 0.00 C ATOM 448 CG PRO A 31 -10.874 -8.538 4.857 1.00 0.00 C ATOM 449 CD PRO A 31 -10.789 -7.069 5.164 1.00 0.00 C ATOM 0 HA PRO A 31 -10.924 -8.328 8.166 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.781 -10.239 6.154 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -12.220 -9.261 6.357 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -9.944 -8.899 4.419 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -11.666 -8.741 4.136 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.076 -6.563 4.513 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.751 -6.574 5.029 1.00 0.00 H new ATOM 457 N SER A 32 -8.835 -9.380 8.724 1.00 0.00 N ATOM 458 CA SER A 32 -7.556 -9.950 9.129 1.00 0.00 C ATOM 459 C SER A 32 -6.960 -10.798 8.009 1.00 0.00 C ATOM 460 O SER A 32 -5.743 -10.958 7.916 1.00 0.00 O ATOM 461 CB SER A 32 -7.728 -10.799 10.390 1.00 0.00 C ATOM 462 OG SER A 32 -8.095 -12.128 10.064 1.00 0.00 O ATOM 0 H SER A 32 -9.538 -9.354 9.463 1.00 0.00 H new ATOM 0 HA SER A 32 -6.872 -9.129 9.343 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.798 -10.804 10.958 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.490 -10.355 11.030 1.00 0.00 H new ATOM 0 HG SER A 32 -8.197 -12.650 10.887 1.00 0.00 H new ATOM 468 N ASP A 33 -7.827 -11.340 7.161 1.00 0.00 N ATOM 469 CA ASP A 33 -7.389 -12.171 6.046 1.00 0.00 C ATOM 470 C ASP A 33 -6.812 -11.314 4.923 1.00 0.00 C ATOM 471 O ASP A 33 -5.770 -11.638 4.354 1.00 0.00 O ATOM 472 CB ASP A 33 -8.554 -13.009 5.517 1.00 0.00 C ATOM 473 CG ASP A 33 -9.560 -13.350 6.600 1.00 0.00 C ATOM 474 OD1 ASP A 33 -9.135 -13.591 7.749 1.00 0.00 O ATOM 475 OD2 ASP A 33 -10.771 -13.376 6.297 1.00 0.00 O ATOM 0 H ASP A 33 -8.838 -11.219 7.225 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.607 -12.838 6.408 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.056 -12.464 4.717 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.167 -13.930 5.081 1.00 0.00 H new ATOM 480 N ALA A 34 -7.498 -10.220 4.608 1.00 0.00 N ATOM 481 CA ALA A 34 -7.054 -9.316 3.555 1.00 0.00 C ATOM 482 C ALA A 34 -5.569 -8.998 3.694 1.00 0.00 C ATOM 483 O ALA A 34 -5.116 -8.473 4.712 1.00 0.00 O ATOM 484 CB ALA A 34 -7.875 -8.036 3.577 1.00 0.00 C ATOM 0 H ALA A 34 -8.364 -9.939 5.068 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.204 -9.813 2.597 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.532 -7.370 2.785 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.927 -8.276 3.420 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.755 -7.544 4.542 1.00 0.00 H new ATOM 490 N PRO A 35 -4.793 -9.322 2.650 1.00 0.00 N ATOM 491 CA PRO A 35 -3.347 -9.079 2.633 1.00 0.00 C ATOM 492 C PRO A 35 -3.009 -7.595 2.548 1.00 0.00 C ATOM 493 O PRO A 35 -3.835 -6.783 2.127 1.00 0.00 O ATOM 494 CB PRO A 35 -2.880 -9.807 1.370 1.00 0.00 C ATOM 495 CG PRO A 35 -4.080 -9.842 0.487 1.00 0.00 C ATOM 496 CD PRO A 35 -5.266 -9.950 1.405 1.00 0.00 C ATOM 0 HA PRO A 35 -2.865 -9.428 3.546 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.053 -9.281 0.893 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -2.528 -10.813 1.600 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -4.141 -8.942 -0.125 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -4.037 -10.690 -0.197 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -6.136 -9.433 1.000 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.557 -10.988 1.564 1.00 0.00 H new ATOM 504 N LEU A 36 -1.793 -7.246 2.951 1.00 0.00 N ATOM 505 CA LEU A 36 -1.345 -5.857 2.920 1.00 0.00 C ATOM 506 C LEU A 36 -1.799 -5.168 1.637 1.00 0.00 C ATOM 507 O LEU A 36 -2.223 -4.013 1.659 1.00 0.00 O ATOM 508 CB LEU A 36 0.178 -5.789 3.038 1.00 0.00 C ATOM 509 CG LEU A 36 0.746 -4.519 3.674 1.00 0.00 C ATOM 510 CD1 LEU A 36 2.199 -4.325 3.271 1.00 0.00 C ATOM 511 CD2 LEU A 36 -0.086 -3.308 3.278 1.00 0.00 C ATOM 0 H LEU A 36 -1.099 -7.905 3.303 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.792 -5.337 3.768 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.516 -6.646 3.621 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.605 -5.894 2.041 1.00 0.00 H new ATOM 0 HG LEU A 36 0.703 -4.626 4.758 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.586 -3.417 3.733 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.786 -5.181 3.604 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.267 -4.238 2.187 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.332 -2.413 3.739 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.074 -3.197 2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.113 -3.445 3.617 1.00 0.00 H new ATOM 523 N GLU A 37 -1.707 -5.885 0.521 1.00 0.00 N ATOM 524 CA GLU A 37 -2.109 -5.342 -0.771 1.00 0.00 C ATOM 525 C GLU A 37 -3.475 -4.668 -0.676 1.00 0.00 C ATOM 526 O GLU A 37 -3.650 -3.532 -1.116 1.00 0.00 O ATOM 527 CB GLU A 37 -2.147 -6.450 -1.825 1.00 0.00 C ATOM 528 CG GLU A 37 -2.441 -5.945 -3.228 1.00 0.00 C ATOM 529 CD GLU A 37 -2.541 -7.067 -4.243 1.00 0.00 C ATOM 530 OE1 GLU A 37 -3.141 -8.112 -3.916 1.00 0.00 O ATOM 531 OE2 GLU A 37 -2.017 -6.899 -5.365 1.00 0.00 O ATOM 0 H GLU A 37 -1.358 -6.843 0.486 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.374 -4.594 -1.067 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.189 -6.970 -1.828 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.905 -7.181 -1.545 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.375 -5.383 -3.220 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.656 -5.253 -3.533 1.00 0.00 H new ATOM 538 N GLU A 38 -4.440 -5.378 -0.100 1.00 0.00 N ATOM 539 CA GLU A 38 -5.791 -4.849 0.051 1.00 0.00 C ATOM 540 C GLU A 38 -5.766 -3.475 0.714 1.00 0.00 C ATOM 541 O GLU A 38 -6.414 -2.538 0.248 1.00 0.00 O ATOM 542 CB GLU A 38 -6.649 -5.810 0.877 1.00 0.00 C ATOM 543 CG GLU A 38 -7.376 -6.850 0.040 1.00 0.00 C ATOM 544 CD GLU A 38 -6.619 -7.214 -1.223 1.00 0.00 C ATOM 545 OE1 GLU A 38 -5.388 -7.406 -1.141 1.00 0.00 O ATOM 546 OE2 GLU A 38 -7.258 -7.308 -2.292 1.00 0.00 O ATOM 0 H GLU A 38 -4.312 -6.320 0.269 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.227 -4.746 -0.943 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.014 -6.319 1.602 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.382 -5.235 1.443 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.532 -7.748 0.638 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.362 -6.471 -0.228 1.00 0.00 H new ATOM 553 N ALA A 39 -5.014 -3.363 1.803 1.00 0.00 N ATOM 554 CA ALA A 39 -4.903 -2.104 2.530 1.00 0.00 C ATOM 555 C ALA A 39 -4.442 -0.979 1.609 1.00 0.00 C ATOM 556 O ALA A 39 -5.033 0.101 1.590 1.00 0.00 O ATOM 557 CB ALA A 39 -3.946 -2.254 3.703 1.00 0.00 C ATOM 0 H ALA A 39 -4.472 -4.129 2.202 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.890 -1.845 2.913 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.873 -1.306 4.237 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.318 -3.024 4.380 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.961 -2.540 3.335 1.00 0.00 H new ATOM 563 N ARG A 40 -3.383 -1.238 0.849 1.00 0.00 N ATOM 564 CA ARG A 40 -2.842 -0.246 -0.072 1.00 0.00 C ATOM 565 C ARG A 40 -3.900 0.195 -1.079 1.00 0.00 C ATOM 566 O ARG A 40 -4.100 1.389 -1.299 1.00 0.00 O ATOM 567 CB ARG A 40 -1.627 -0.812 -0.808 1.00 0.00 C ATOM 568 CG ARG A 40 -0.822 0.241 -1.553 1.00 0.00 C ATOM 569 CD ARG A 40 0.577 -0.257 -1.882 1.00 0.00 C ATOM 570 NE ARG A 40 0.622 -0.958 -3.162 1.00 0.00 N ATOM 571 CZ ARG A 40 0.666 -0.339 -4.337 1.00 0.00 C ATOM 572 NH1 ARG A 40 0.671 0.986 -4.393 1.00 0.00 N ATOM 573 NH2 ARG A 40 0.705 -1.046 -5.459 1.00 0.00 N ATOM 0 H ARG A 40 -2.883 -2.127 0.853 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.534 0.623 0.509 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.978 -1.312 -0.089 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.962 -1.570 -1.516 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.339 0.512 -2.474 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.755 1.145 -0.948 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.266 0.587 -1.907 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.919 -0.924 -1.091 1.00 0.00 H new ATOM 0 HE ARG A 40 0.620 -1.978 -3.154 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.641 1.533 -3.533 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.705 1.458 -5.297 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.701 -2.065 -5.420 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.739 -0.570 -6.361 1.00 0.00 H new ATOM 587 N GLN A 41 -4.573 -0.777 -1.686 1.00 0.00 N ATOM 588 CA GLN A 41 -5.610 -0.488 -2.670 1.00 0.00 C ATOM 589 C GLN A 41 -6.505 0.653 -2.199 1.00 0.00 C ATOM 590 O GLN A 41 -6.751 1.608 -2.936 1.00 0.00 O ATOM 591 CB GLN A 41 -6.452 -1.737 -2.936 1.00 0.00 C ATOM 592 CG GLN A 41 -5.847 -2.669 -3.973 1.00 0.00 C ATOM 593 CD GLN A 41 -6.087 -2.197 -5.394 1.00 0.00 C ATOM 594 OE1 GLN A 41 -6.677 -1.140 -5.617 1.00 0.00 O ATOM 595 NE2 GLN A 41 -5.629 -2.981 -6.363 1.00 0.00 N ATOM 0 H GLN A 41 -4.419 -1.771 -1.514 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.122 -0.183 -3.596 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.583 -2.283 -2.002 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.444 -1.432 -3.269 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.774 -2.753 -3.799 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.269 -3.666 -3.850 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.145 -3.849 -6.131 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.761 -2.715 -7.339 1.00 0.00 H new ATOM 604 N PHE A 42 -6.991 0.547 -0.967 1.00 0.00 N ATOM 605 CA PHE A 42 -7.861 1.570 -0.397 1.00 0.00 C ATOM 606 C PHE A 42 -7.168 2.930 -0.389 1.00 0.00 C ATOM 607 O PHE A 42 -7.729 3.926 -0.845 1.00 0.00 O ATOM 608 CB PHE A 42 -8.272 1.186 1.025 1.00 0.00 C ATOM 609 CG PHE A 42 -9.191 2.181 1.673 1.00 0.00 C ATOM 610 CD1 PHE A 42 -10.501 2.317 1.243 1.00 0.00 C ATOM 611 CD2 PHE A 42 -8.745 2.982 2.712 1.00 0.00 C ATOM 612 CE1 PHE A 42 -11.350 3.231 1.838 1.00 0.00 C ATOM 613 CE2 PHE A 42 -9.589 3.899 3.311 1.00 0.00 C ATOM 614 CZ PHE A 42 -10.893 4.024 2.872 1.00 0.00 C ATOM 0 H PHE A 42 -6.797 -0.237 -0.344 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.754 1.640 -1.019 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.761 0.212 1.003 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.376 1.079 1.637 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -10.863 1.701 0.433 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.726 2.889 3.058 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -12.370 3.325 1.495 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -9.229 4.517 4.121 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.554 4.741 3.337 1.00 0.00 H new ATOM 624 N ALA A 43 -5.947 2.962 0.133 1.00 0.00 N ATOM 625 CA ALA A 43 -5.177 4.198 0.200 1.00 0.00 C ATOM 626 C ALA A 43 -5.022 4.824 -1.182 1.00 0.00 C ATOM 627 O ALA A 43 -5.204 6.029 -1.352 1.00 0.00 O ATOM 628 CB ALA A 43 -3.812 3.937 0.819 1.00 0.00 C ATOM 0 H ALA A 43 -5.469 2.146 0.516 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.721 4.902 0.830 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.248 4.869 0.863 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.939 3.542 1.827 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.269 3.213 0.211 1.00 0.00 H new ATOM 634 N ALA A 44 -4.685 3.997 -2.167 1.00 0.00 N ATOM 635 CA ALA A 44 -4.507 4.470 -3.534 1.00 0.00 C ATOM 636 C ALA A 44 -5.760 5.177 -4.038 1.00 0.00 C ATOM 637 O ALA A 44 -5.680 6.095 -4.854 1.00 0.00 O ATOM 638 CB ALA A 44 -4.150 3.309 -4.451 1.00 0.00 C ATOM 0 H ALA A 44 -4.530 2.996 -2.043 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.688 5.190 -3.540 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.020 3.676 -5.469 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.223 2.848 -4.110 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.951 2.570 -4.431 1.00 0.00 H new ATOM 644 N GLN A 45 -6.917 4.744 -3.546 1.00 0.00 N ATOM 645 CA GLN A 45 -8.187 5.337 -3.948 1.00 0.00 C ATOM 646 C GLN A 45 -8.431 6.651 -3.215 1.00 0.00 C ATOM 647 O GLN A 45 -9.026 7.580 -3.763 1.00 0.00 O ATOM 648 CB GLN A 45 -9.337 4.365 -3.675 1.00 0.00 C ATOM 649 CG GLN A 45 -9.632 3.430 -4.837 1.00 0.00 C ATOM 650 CD GLN A 45 -10.564 4.048 -5.860 1.00 0.00 C ATOM 651 OE1 GLN A 45 -10.605 5.268 -6.023 1.00 0.00 O ATOM 652 NE2 GLN A 45 -11.319 3.207 -6.558 1.00 0.00 N ATOM 0 H GLN A 45 -7.001 3.986 -2.869 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.141 5.543 -5.017 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -9.098 3.771 -2.793 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -10.236 4.935 -3.441 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.696 3.154 -5.323 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.076 2.511 -4.455 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -11.253 2.203 -6.390 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.965 3.565 -7.262 1.00 0.00 H new ATOM 661 N THR A 46 -7.969 6.724 -1.970 1.00 0.00 N ATOM 662 CA THR A 46 -8.138 7.924 -1.161 1.00 0.00 C ATOM 663 C THR A 46 -7.236 9.050 -1.652 1.00 0.00 C ATOM 664 O THR A 46 -7.686 10.180 -1.845 1.00 0.00 O ATOM 665 CB THR A 46 -7.833 7.647 0.324 1.00 0.00 C ATOM 666 OG1 THR A 46 -8.718 6.640 0.826 1.00 0.00 O ATOM 667 CG2 THR A 46 -7.978 8.915 1.151 1.00 0.00 C ATOM 0 H THR A 46 -7.475 5.965 -1.500 1.00 0.00 H new ATOM 0 HA THR A 46 -9.180 8.228 -1.260 1.00 0.00 H new ATOM 0 HB THR A 46 -6.804 7.297 0.402 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.516 5.783 0.395 1.00 0.00 H new ATOM 0 HG21 THR A 46 -7.758 8.695 2.196 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.282 9.670 0.785 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.998 9.290 1.066 1.00 0.00 H new ATOM 675 N VAL A 47 -5.960 8.736 -1.853 1.00 0.00 N ATOM 676 CA VAL A 47 -4.995 9.722 -2.324 1.00 0.00 C ATOM 677 C VAL A 47 -5.008 9.820 -3.846 1.00 0.00 C ATOM 678 O VAL A 47 -4.575 10.820 -4.417 1.00 0.00 O ATOM 679 CB VAL A 47 -3.569 9.379 -1.855 1.00 0.00 C ATOM 680 CG1 VAL A 47 -3.492 9.375 -0.336 1.00 0.00 C ATOM 681 CG2 VAL A 47 -3.129 8.038 -2.423 1.00 0.00 C ATOM 0 H VAL A 47 -5.571 7.806 -1.697 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.289 10.682 -1.898 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.889 10.146 -2.227 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.477 9.131 -0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.761 10.360 0.045 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.183 8.631 0.061 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.119 7.812 -2.081 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.810 7.258 -2.083 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.142 8.082 -3.512 1.00 0.00 H new ATOM 691 N GLY A 48 -5.509 8.775 -4.497 1.00 0.00 N ATOM 692 CA GLY A 48 -5.570 8.764 -5.947 1.00 0.00 C ATOM 693 C GLY A 48 -4.210 8.962 -6.586 1.00 0.00 C ATOM 694 O GLY A 48 -3.185 8.614 -6.000 1.00 0.00 O ATOM 0 H GLY A 48 -5.874 7.936 -4.046 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -5.991 7.816 -6.283 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -6.245 9.550 -6.285 1.00 0.00 H new ATOM 698 N ASN A 49 -4.200 9.522 -7.791 1.00 0.00 N ATOM 699 CA ASN A 49 -2.955 9.763 -8.511 1.00 0.00 C ATOM 700 C ASN A 49 -2.345 11.103 -8.111 1.00 0.00 C ATOM 701 O ASN A 49 -1.871 11.861 -8.958 1.00 0.00 O ATOM 702 CB ASN A 49 -3.200 9.733 -10.021 1.00 0.00 C ATOM 703 CG ASN A 49 -3.195 8.323 -10.579 1.00 0.00 C ATOM 704 OD1 ASN A 49 -4.228 7.654 -10.616 1.00 0.00 O ATOM 705 ND2 ASN A 49 -2.028 7.865 -11.018 1.00 0.00 N ATOM 0 H ASN A 49 -5.040 9.817 -8.289 1.00 0.00 H new ATOM 0 HA ASN A 49 -2.254 8.971 -8.247 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.158 10.204 -10.240 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -2.432 10.322 -10.523 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.963 6.924 -11.405 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -1.197 8.455 -10.968 1.00 0.00 H new ATOM 712 N THR A 50 -2.362 11.390 -6.812 1.00 0.00 N ATOM 713 CA THR A 50 -1.812 12.638 -6.299 1.00 0.00 C ATOM 714 C THR A 50 -0.317 12.511 -6.030 1.00 0.00 C ATOM 715 O THR A 50 0.478 13.334 -6.486 1.00 0.00 O ATOM 716 CB THR A 50 -2.520 13.072 -5.002 1.00 0.00 C ATOM 717 OG1 THR A 50 -3.900 13.352 -5.267 1.00 0.00 O ATOM 718 CG2 THR A 50 -1.853 14.303 -4.406 1.00 0.00 C ATOM 0 H THR A 50 -2.751 10.775 -6.097 1.00 0.00 H new ATOM 0 HA THR A 50 -1.977 13.395 -7.066 1.00 0.00 H new ATOM 0 HB THR A 50 -2.446 12.255 -4.284 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.442 12.566 -5.044 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.371 14.590 -3.491 1.00 0.00 H new ATOM 0 HG22 THR A 50 -0.811 14.078 -4.178 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.899 15.124 -5.122 1.00 0.00 H new ATOM 726 N TYR A 51 0.060 11.476 -5.287 1.00 0.00 N ATOM 727 CA TYR A 51 1.460 11.243 -4.956 1.00 0.00 C ATOM 728 C TYR A 51 2.140 10.396 -6.028 1.00 0.00 C ATOM 729 O TYR A 51 3.276 10.662 -6.418 1.00 0.00 O ATOM 730 CB TYR A 51 1.577 10.552 -3.596 1.00 0.00 C ATOM 731 CG TYR A 51 0.939 11.329 -2.466 1.00 0.00 C ATOM 732 CD1 TYR A 51 1.545 12.469 -1.953 1.00 0.00 C ATOM 733 CD2 TYR A 51 -0.268 10.923 -1.912 1.00 0.00 C ATOM 734 CE1 TYR A 51 0.967 13.182 -0.920 1.00 0.00 C ATOM 735 CE2 TYR A 51 -0.854 11.631 -0.880 1.00 0.00 C ATOM 736 CZ TYR A 51 -0.232 12.759 -0.388 1.00 0.00 C ATOM 737 OH TYR A 51 -0.812 13.466 0.641 1.00 0.00 O ATOM 0 H TYR A 51 -0.585 10.785 -4.903 1.00 0.00 H new ATOM 0 HA TYR A 51 1.961 12.210 -4.910 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.113 9.568 -3.657 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.631 10.394 -3.368 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.484 12.804 -2.369 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.757 10.039 -2.294 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.452 14.065 -0.532 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.794 11.303 -0.461 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.654 13.036 0.900 1.00 0.00 H new ATOM 747 N GLY A 52 1.433 9.374 -6.503 1.00 0.00 N ATOM 748 CA GLY A 52 1.983 8.504 -7.526 1.00 0.00 C ATOM 749 C GLY A 52 2.140 7.074 -7.047 1.00 0.00 C ATOM 750 O GLY A 52 1.210 6.494 -6.489 1.00 0.00 O ATOM 0 H GLY A 52 0.490 9.134 -6.197 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.334 8.522 -8.401 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.954 8.887 -7.841 1.00 0.00 H new ATOM 754 N ASN A 53 3.321 6.505 -7.267 1.00 0.00 N ATOM 755 CA ASN A 53 3.597 5.133 -6.856 1.00 0.00 C ATOM 756 C ASN A 53 4.060 5.083 -5.403 1.00 0.00 C ATOM 757 O ASN A 53 4.955 4.315 -5.052 1.00 0.00 O ATOM 758 CB ASN A 53 4.659 4.510 -7.764 1.00 0.00 C ATOM 759 CG ASN A 53 4.492 3.010 -7.904 1.00 0.00 C ATOM 760 OD1 ASN A 53 3.402 2.474 -7.704 1.00 0.00 O ATOM 761 ND2 ASN A 53 5.576 2.324 -8.250 1.00 0.00 N ATOM 0 H ASN A 53 4.102 6.973 -7.727 1.00 0.00 H new ATOM 0 HA ASN A 53 2.673 4.561 -6.944 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.607 4.972 -8.750 1.00 0.00 H new ATOM 0 HB3 ASN A 53 5.649 4.727 -7.362 1.00 0.00 H new ATOM 0 HD21 ASN A 53 5.525 1.311 -8.360 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.459 2.810 -8.406 1.00 0.00 H new ATOM 768 N PHE A 54 3.443 5.907 -4.562 1.00 0.00 N ATOM 769 CA PHE A 54 3.791 5.957 -3.147 1.00 0.00 C ATOM 770 C PHE A 54 3.988 4.552 -2.585 1.00 0.00 C ATOM 771 O PHE A 54 3.383 3.592 -3.061 1.00 0.00 O ATOM 772 CB PHE A 54 2.703 6.687 -2.358 1.00 0.00 C ATOM 773 CG PHE A 54 1.442 5.887 -2.195 1.00 0.00 C ATOM 774 CD1 PHE A 54 1.371 4.862 -1.266 1.00 0.00 C ATOM 775 CD2 PHE A 54 0.327 6.160 -2.972 1.00 0.00 C ATOM 776 CE1 PHE A 54 0.212 4.124 -1.114 1.00 0.00 C ATOM 777 CE2 PHE A 54 -0.834 5.426 -2.824 1.00 0.00 C ATOM 778 CZ PHE A 54 -0.891 4.406 -1.894 1.00 0.00 C ATOM 0 H PHE A 54 2.699 6.549 -4.836 1.00 0.00 H new ATOM 0 HA PHE A 54 4.729 6.503 -3.048 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.091 6.944 -1.372 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.467 7.624 -2.862 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.231 4.637 -0.653 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.366 6.956 -3.701 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.170 3.328 -0.386 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.696 5.649 -3.435 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.797 3.830 -1.778 1.00 0.00 H new ATOM 788 N SER A 55 4.839 4.441 -1.570 1.00 0.00 N ATOM 789 CA SER A 55 5.119 3.154 -0.946 1.00 0.00 C ATOM 790 C SER A 55 4.713 3.164 0.525 1.00 0.00 C ATOM 791 O SER A 55 4.833 4.182 1.208 1.00 0.00 O ATOM 792 CB SER A 55 6.606 2.814 -1.073 1.00 0.00 C ATOM 793 OG SER A 55 6.873 2.147 -2.295 1.00 0.00 O ATOM 0 H SER A 55 5.346 5.227 -1.163 1.00 0.00 H new ATOM 0 HA SER A 55 4.534 2.393 -1.462 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.198 3.728 -1.017 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.911 2.185 -0.237 1.00 0.00 H new ATOM 0 HG SER A 55 7.830 1.942 -2.354 1.00 0.00 H new ATOM 799 N LEU A 56 4.232 2.023 1.006 1.00 0.00 N ATOM 800 CA LEU A 56 3.807 1.898 2.397 1.00 0.00 C ATOM 801 C LEU A 56 4.897 1.247 3.243 1.00 0.00 C ATOM 802 O LEU A 56 5.564 0.313 2.801 1.00 0.00 O ATOM 803 CB LEU A 56 2.519 1.078 2.485 1.00 0.00 C ATOM 804 CG LEU A 56 1.268 1.726 1.890 1.00 0.00 C ATOM 805 CD1 LEU A 56 0.078 0.785 1.994 1.00 0.00 C ATOM 806 CD2 LEU A 56 0.969 3.046 2.586 1.00 0.00 C ATOM 0 H LEU A 56 4.126 1.172 0.454 1.00 0.00 H new ATOM 0 HA LEU A 56 3.621 2.899 2.786 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.684 0.125 1.983 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.325 0.856 3.534 1.00 0.00 H new ATOM 0 HG LEU A 56 1.454 1.928 0.835 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.803 1.263 1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.293 -0.134 1.449 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.110 0.551 3.042 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.076 3.493 2.150 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.804 2.868 3.649 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.813 3.724 2.459 1.00 0.00 H new ATOM 818 N ALA A 57 5.069 1.747 4.462 1.00 0.00 N ATOM 819 CA ALA A 57 6.075 1.212 5.372 1.00 0.00 C ATOM 820 C ALA A 57 5.597 1.277 6.818 1.00 0.00 C ATOM 821 O ALA A 57 4.610 1.946 7.128 1.00 0.00 O ATOM 822 CB ALA A 57 7.386 1.967 5.212 1.00 0.00 C ATOM 0 H ALA A 57 4.525 2.521 4.842 1.00 0.00 H new ATOM 0 HA ALA A 57 6.239 0.165 5.118 1.00 0.00 H new ATOM 0 HB1 ALA A 57 8.128 1.557 5.897 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.743 1.864 4.187 1.00 0.00 H new ATOM 0 HB3 ALA A 57 7.228 3.022 5.437 1.00 0.00 H new ATOM 828 N THR A 58 6.302 0.578 7.702 1.00 0.00 N ATOM 829 CA THR A 58 5.949 0.556 9.116 1.00 0.00 C ATOM 830 C THR A 58 6.333 1.863 9.800 1.00 0.00 C ATOM 831 O THR A 58 6.805 2.797 9.153 1.00 0.00 O ATOM 832 CB THR A 58 6.634 -0.614 9.848 1.00 0.00 C ATOM 833 OG1 THR A 58 8.053 -0.534 9.678 1.00 0.00 O ATOM 834 CG2 THR A 58 6.129 -1.950 9.323 1.00 0.00 C ATOM 0 H THR A 58 7.121 0.019 7.463 1.00 0.00 H new ATOM 0 HA THR A 58 4.868 0.426 9.169 1.00 0.00 H new ATOM 0 HB THR A 58 6.391 -0.543 10.908 1.00 0.00 H new ATOM 0 HG1 THR A 58 8.269 0.211 9.079 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.627 -2.761 9.854 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.053 -2.019 9.480 1.00 0.00 H new ATOM 0 HG23 THR A 58 6.346 -2.028 8.258 1.00 0.00 H new ATOM 842 N MET A 59 6.128 1.922 11.111 1.00 0.00 N ATOM 843 CA MET A 59 6.456 3.115 11.883 1.00 0.00 C ATOM 844 C MET A 59 7.468 2.794 12.978 1.00 0.00 C ATOM 845 O MET A 59 8.390 3.569 13.232 1.00 0.00 O ATOM 846 CB MET A 59 5.190 3.712 12.502 1.00 0.00 C ATOM 847 CG MET A 59 4.452 4.664 11.575 1.00 0.00 C ATOM 848 SD MET A 59 2.997 5.397 12.348 1.00 0.00 S ATOM 849 CE MET A 59 3.747 6.280 13.713 1.00 0.00 C ATOM 0 H MET A 59 5.736 1.158 11.661 1.00 0.00 H new ATOM 0 HA MET A 59 6.900 3.844 11.205 1.00 0.00 H new ATOM 0 HB2 MET A 59 4.518 2.902 12.788 1.00 0.00 H new ATOM 0 HB3 MET A 59 5.457 4.242 13.416 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.130 5.457 11.260 1.00 0.00 H new ATOM 0 HG3 MET A 59 4.150 4.128 10.676 1.00 0.00 H new ATOM 0 HE1 MET A 59 3.255 7.245 13.836 1.00 0.00 H new ATOM 0 HE2 MET A 59 3.637 5.697 14.628 1.00 0.00 H new ATOM 0 HE3 MET A 59 4.806 6.436 13.507 1.00 0.00 H new ATOM 859 N PHE A 60 7.290 1.646 13.624 1.00 0.00 N ATOM 860 CA PHE A 60 8.187 1.223 14.693 1.00 0.00 C ATOM 861 C PHE A 60 9.450 0.584 14.122 1.00 0.00 C ATOM 862 O PHE A 60 10.553 1.120 14.234 1.00 0.00 O ATOM 863 CB PHE A 60 7.478 0.236 15.622 1.00 0.00 C ATOM 864 CG PHE A 60 6.888 0.881 16.843 1.00 0.00 C ATOM 865 CD1 PHE A 60 7.685 1.194 17.932 1.00 0.00 C ATOM 866 CD2 PHE A 60 5.535 1.174 16.902 1.00 0.00 C ATOM 867 CE1 PHE A 60 7.145 1.788 19.057 1.00 0.00 C ATOM 868 CE2 PHE A 60 4.989 1.769 18.024 1.00 0.00 C ATOM 869 CZ PHE A 60 5.795 2.075 19.104 1.00 0.00 C ATOM 0 H PHE A 60 6.533 0.992 13.426 1.00 0.00 H new ATOM 0 HA PHE A 60 8.474 2.106 15.264 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.686 -0.267 15.068 1.00 0.00 H new ATOM 0 HB3 PHE A 60 8.187 -0.532 15.933 1.00 0.00 H new ATOM 0 HD1 PHE A 60 8.741 0.971 17.901 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.900 0.935 16.062 1.00 0.00 H new ATOM 0 HE1 PHE A 60 7.778 2.027 19.899 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.933 1.995 18.056 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.370 2.537 19.983 1.00 0.00 H new ATOM 879 N PRO A 61 9.286 -0.591 13.495 1.00 0.00 N ATOM 880 CA PRO A 61 10.401 -1.329 12.894 1.00 0.00 C ATOM 881 C PRO A 61 10.956 -0.634 11.655 1.00 0.00 C ATOM 882 O PRO A 61 12.011 -1.008 11.142 1.00 0.00 O ATOM 883 CB PRO A 61 9.773 -2.673 12.516 1.00 0.00 C ATOM 884 CG PRO A 61 8.324 -2.378 12.340 1.00 0.00 C ATOM 885 CD PRO A 61 8.001 -1.288 13.324 1.00 0.00 C ATOM 0 HA PRO A 61 11.248 -1.414 13.575 1.00 0.00 H new ATOM 0 HB2 PRO A 61 10.210 -3.071 11.600 1.00 0.00 H new ATOM 0 HB3 PRO A 61 9.933 -3.418 13.295 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.112 -2.058 11.320 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.719 -3.265 12.528 1.00 0.00 H new ATOM 0 HD2 PRO A 61 7.229 -0.619 12.944 1.00 0.00 H new ATOM 0 HD3 PRO A 61 7.635 -1.694 14.267 1.00 0.00 H new ATOM 893 N ARG A 62 10.240 0.380 11.180 1.00 0.00 N ATOM 894 CA ARG A 62 10.661 1.127 10.001 1.00 0.00 C ATOM 895 C ARG A 62 11.272 0.196 8.957 1.00 0.00 C ATOM 896 O ARG A 62 12.382 0.427 8.479 1.00 0.00 O ATOM 897 CB ARG A 62 11.672 2.207 10.390 1.00 0.00 C ATOM 898 CG ARG A 62 11.916 3.235 9.297 1.00 0.00 C ATOM 899 CD ARG A 62 10.612 3.693 8.663 1.00 0.00 C ATOM 900 NE ARG A 62 10.703 5.057 8.148 1.00 0.00 N ATOM 901 CZ ARG A 62 9.836 5.576 7.286 1.00 0.00 C ATOM 902 NH1 ARG A 62 8.818 4.850 6.845 1.00 0.00 N ATOM 903 NH2 ARG A 62 9.986 6.825 6.864 1.00 0.00 N ATOM 0 H ARG A 62 9.365 0.703 11.594 1.00 0.00 H new ATOM 0 HA ARG A 62 9.780 1.602 9.569 1.00 0.00 H new ATOM 0 HB2 ARG A 62 11.318 2.718 11.285 1.00 0.00 H new ATOM 0 HB3 ARG A 62 12.618 1.731 10.647 1.00 0.00 H new ATOM 0 HG2 ARG A 62 12.440 4.094 9.715 1.00 0.00 H new ATOM 0 HG3 ARG A 62 12.564 2.807 8.532 1.00 0.00 H new ATOM 0 HD2 ARG A 62 10.346 3.016 7.851 1.00 0.00 H new ATOM 0 HD3 ARG A 62 9.811 3.637 9.400 1.00 0.00 H new ATOM 0 HE ARG A 62 11.474 5.643 8.468 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.699 3.890 7.168 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.154 5.252 6.183 1.00 0.00 H new ATOM 0 HH21 ARG A 62 10.767 7.387 7.202 1.00 0.00 H new ATOM 0 HH22 ARG A 62 9.320 7.223 6.202 1.00 0.00 H new ATOM 917 N ARG A 63 10.538 -0.856 8.609 1.00 0.00 N ATOM 918 CA ARG A 63 11.008 -1.823 7.624 1.00 0.00 C ATOM 919 C ARG A 63 10.172 -1.749 6.350 1.00 0.00 C ATOM 920 O ARG A 63 8.966 -1.992 6.373 1.00 0.00 O ATOM 921 CB ARG A 63 10.954 -3.238 8.201 1.00 0.00 C ATOM 922 CG ARG A 63 12.019 -4.166 7.638 1.00 0.00 C ATOM 923 CD ARG A 63 11.833 -5.592 8.132 1.00 0.00 C ATOM 924 NE ARG A 63 12.534 -5.831 9.391 1.00 0.00 N ATOM 925 CZ ARG A 63 12.271 -6.854 10.196 1.00 0.00 C ATOM 926 NH1 ARG A 63 11.327 -7.728 9.876 1.00 0.00 N ATOM 927 NH2 ARG A 63 12.953 -7.004 11.324 1.00 0.00 N ATOM 0 H ARG A 63 9.616 -1.060 8.994 1.00 0.00 H new ATOM 0 HA ARG A 63 12.041 -1.579 7.376 1.00 0.00 H new ATOM 0 HB2 ARG A 63 11.066 -3.184 9.284 1.00 0.00 H new ATOM 0 HB3 ARG A 63 9.971 -3.665 8.003 1.00 0.00 H new ATOM 0 HG2 ARG A 63 11.979 -4.149 6.549 1.00 0.00 H new ATOM 0 HG3 ARG A 63 13.006 -3.806 7.926 1.00 0.00 H new ATOM 0 HD2 ARG A 63 10.770 -5.794 8.265 1.00 0.00 H new ATOM 0 HD3 ARG A 63 12.198 -6.288 7.376 1.00 0.00 H new ATOM 0 HE ARG A 63 13.266 -5.176 9.667 1.00 0.00 H new ATOM 0 HH11 ARG A 63 10.801 -7.616 9.010 1.00 0.00 H new ATOM 0 HH12 ARG A 63 11.127 -8.513 10.496 1.00 0.00 H new ATOM 0 HH21 ARG A 63 13.680 -6.333 11.573 1.00 0.00 H new ATOM 0 HH22 ARG A 63 12.750 -7.790 11.942 1.00 0.00 H new ATOM 941 N GLU A 64 10.822 -1.413 5.240 1.00 0.00 N ATOM 942 CA GLU A 64 10.137 -1.307 3.957 1.00 0.00 C ATOM 943 C GLU A 64 9.565 -2.656 3.532 1.00 0.00 C ATOM 944 O GLU A 64 10.307 -3.584 3.210 1.00 0.00 O ATOM 945 CB GLU A 64 11.096 -0.786 2.884 1.00 0.00 C ATOM 946 CG GLU A 64 10.400 -0.354 1.604 1.00 0.00 C ATOM 947 CD GLU A 64 11.371 0.152 0.555 1.00 0.00 C ATOM 948 OE1 GLU A 64 12.237 -0.634 0.118 1.00 0.00 O ATOM 949 OE2 GLU A 64 11.264 1.336 0.171 1.00 0.00 O ATOM 0 H GLU A 64 11.821 -1.210 5.203 1.00 0.00 H new ATOM 0 HA GLU A 64 9.313 -0.603 4.071 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.654 0.059 3.287 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.822 -1.564 2.648 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.838 -1.196 1.198 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.678 0.430 1.834 1.00 0.00 H new ATOM 956 N PHE A 65 8.240 -2.757 3.535 1.00 0.00 N ATOM 957 CA PHE A 65 7.567 -3.993 3.151 1.00 0.00 C ATOM 958 C PHE A 65 8.133 -4.537 1.844 1.00 0.00 C ATOM 959 O PHE A 65 8.695 -3.794 1.038 1.00 0.00 O ATOM 960 CB PHE A 65 6.062 -3.755 3.009 1.00 0.00 C ATOM 961 CG PHE A 65 5.358 -3.565 4.322 1.00 0.00 C ATOM 962 CD1 PHE A 65 5.114 -4.646 5.155 1.00 0.00 C ATOM 963 CD2 PHE A 65 4.940 -2.307 4.724 1.00 0.00 C ATOM 964 CE1 PHE A 65 4.466 -4.474 6.363 1.00 0.00 C ATOM 965 CE2 PHE A 65 4.292 -2.129 5.931 1.00 0.00 C ATOM 966 CZ PHE A 65 4.055 -3.214 6.752 1.00 0.00 C ATOM 0 H PHE A 65 7.611 -1.999 3.799 1.00 0.00 H new ATOM 0 HA PHE A 65 7.739 -4.730 3.935 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.899 -2.874 2.388 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.616 -4.601 2.486 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.434 -5.633 4.856 1.00 0.00 H new ATOM 0 HD2 PHE A 65 5.123 -1.455 4.086 1.00 0.00 H new ATOM 0 HE1 PHE A 65 4.281 -5.324 7.003 1.00 0.00 H new ATOM 0 HE2 PHE A 65 3.971 -1.143 6.232 1.00 0.00 H new ATOM 0 HZ PHE A 65 3.549 -3.078 7.696 1.00 0.00 H new ATOM 976 N THR A 66 7.982 -5.842 1.638 1.00 0.00 N ATOM 977 CA THR A 66 8.480 -6.489 0.431 1.00 0.00 C ATOM 978 C THR A 66 7.333 -7.027 -0.417 1.00 0.00 C ATOM 979 O THR A 66 6.241 -7.283 0.091 1.00 0.00 O ATOM 980 CB THR A 66 9.441 -7.644 0.767 1.00 0.00 C ATOM 981 OG1 THR A 66 9.916 -8.253 -0.439 1.00 0.00 O ATOM 982 CG2 THR A 66 8.751 -8.689 1.630 1.00 0.00 C ATOM 0 H THR A 66 7.518 -6.472 2.293 1.00 0.00 H new ATOM 0 HA THR A 66 9.021 -5.730 -0.134 1.00 0.00 H new ATOM 0 HB THR A 66 10.284 -7.235 1.324 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.528 -8.985 -0.217 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.450 -9.495 1.854 1.00 0.00 H new ATOM 0 HG22 THR A 66 8.416 -8.230 2.560 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.891 -9.093 1.095 1.00 0.00 H new ATOM 990 N ARG A 67 7.588 -7.198 -1.710 1.00 0.00 N ATOM 991 CA ARG A 67 6.576 -7.706 -2.628 1.00 0.00 C ATOM 992 C ARG A 67 5.853 -8.909 -2.029 1.00 0.00 C ATOM 993 O ARG A 67 4.648 -9.074 -2.211 1.00 0.00 O ATOM 994 CB ARG A 67 7.215 -8.094 -3.962 1.00 0.00 C ATOM 995 CG ARG A 67 8.220 -9.229 -3.848 1.00 0.00 C ATOM 996 CD ARG A 67 8.586 -9.788 -5.214 1.00 0.00 C ATOM 997 NE ARG A 67 9.874 -10.477 -5.197 1.00 0.00 N ATOM 998 CZ ARG A 67 10.588 -10.728 -6.289 1.00 0.00 C ATOM 999 NH1 ARG A 67 10.142 -10.348 -7.478 1.00 0.00 N ATOM 1000 NH2 ARG A 67 11.751 -11.359 -6.192 1.00 0.00 N ATOM 0 H ARG A 67 8.487 -6.992 -2.146 1.00 0.00 H new ATOM 0 HA ARG A 67 5.847 -6.914 -2.799 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.430 -8.384 -4.661 1.00 0.00 H new ATOM 0 HB3 ARG A 67 7.712 -7.221 -4.385 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.120 -8.871 -3.347 1.00 0.00 H new ATOM 0 HG3 ARG A 67 7.805 -10.023 -3.228 1.00 0.00 H new ATOM 0 HD2 ARG A 67 7.810 -10.479 -5.543 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.619 -8.976 -5.941 1.00 0.00 H new ATOM 0 HE ARG A 67 10.246 -10.782 -4.297 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.249 -9.862 -7.556 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.692 -10.542 -8.315 1.00 0.00 H new ATOM 0 HH21 ARG A 67 12.098 -11.652 -5.279 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.298 -11.551 -7.031 1.00 0.00 H new ATOM 1014 N GLU A 68 6.599 -9.745 -1.314 1.00 0.00 N ATOM 1015 CA GLU A 68 6.030 -10.934 -0.690 1.00 0.00 C ATOM 1016 C GLU A 68 4.999 -10.551 0.369 1.00 0.00 C ATOM 1017 O GLU A 68 3.929 -11.153 0.455 1.00 0.00 O ATOM 1018 CB GLU A 68 7.133 -11.784 -0.058 1.00 0.00 C ATOM 1019 CG GLU A 68 7.718 -12.822 -1.002 1.00 0.00 C ATOM 1020 CD GLU A 68 6.869 -14.075 -1.089 1.00 0.00 C ATOM 1021 OE1 GLU A 68 6.732 -14.771 -0.061 1.00 0.00 O ATOM 1022 OE2 GLU A 68 6.341 -14.360 -2.184 1.00 0.00 O ATOM 0 H GLU A 68 7.598 -9.621 -1.152 1.00 0.00 H new ATOM 0 HA GLU A 68 5.532 -11.517 -1.465 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.932 -11.128 0.288 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.732 -12.289 0.821 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.820 -12.387 -1.996 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.720 -13.089 -0.666 1.00 0.00 H new ATOM 1029 N ASP A 69 5.330 -9.546 1.172 1.00 0.00 N ATOM 1030 CA ASP A 69 4.434 -9.082 2.225 1.00 0.00 C ATOM 1031 C ASP A 69 3.048 -8.780 1.664 1.00 0.00 C ATOM 1032 O ASP A 69 2.034 -9.177 2.241 1.00 0.00 O ATOM 1033 CB ASP A 69 5.008 -7.834 2.898 1.00 0.00 C ATOM 1034 CG ASP A 69 6.037 -8.171 3.960 1.00 0.00 C ATOM 1035 OD1 ASP A 69 5.982 -9.293 4.505 1.00 0.00 O ATOM 1036 OD2 ASP A 69 6.897 -7.312 4.245 1.00 0.00 O ATOM 0 H ASP A 69 6.212 -9.037 1.114 1.00 0.00 H new ATOM 0 HA ASP A 69 4.342 -9.876 2.966 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.465 -7.195 2.143 1.00 0.00 H new ATOM 0 HB3 ASP A 69 4.197 -7.263 3.350 1.00 0.00 H new ATOM 1041 N TYR A 70 3.010 -8.075 0.539 1.00 0.00 N ATOM 1042 CA TYR A 70 1.748 -7.717 -0.097 1.00 0.00 C ATOM 1043 C TYR A 70 0.966 -8.965 -0.496 1.00 0.00 C ATOM 1044 O TYR A 70 -0.249 -8.916 -0.689 1.00 0.00 O ATOM 1045 CB TYR A 70 2.003 -6.846 -1.328 1.00 0.00 C ATOM 1046 CG TYR A 70 2.393 -5.424 -0.994 1.00 0.00 C ATOM 1047 CD1 TYR A 70 1.554 -4.612 -0.241 1.00 0.00 C ATOM 1048 CD2 TYR A 70 3.599 -4.893 -1.431 1.00 0.00 C ATOM 1049 CE1 TYR A 70 1.905 -3.312 0.067 1.00 0.00 C ATOM 1050 CE2 TYR A 70 3.960 -3.594 -1.127 1.00 0.00 C ATOM 1051 CZ TYR A 70 3.110 -2.808 -0.378 1.00 0.00 C ATOM 1052 OH TYR A 70 3.465 -1.514 -0.075 1.00 0.00 O ATOM 0 H TYR A 70 3.839 -7.740 0.048 1.00 0.00 H new ATOM 0 HA TYR A 70 1.154 -7.153 0.622 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.793 -7.300 -1.926 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.105 -6.832 -1.945 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.611 -5.004 0.110 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.267 -5.506 -2.019 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.240 -2.694 0.652 1.00 0.00 H new ATOM 0 HE2 TYR A 70 4.902 -3.197 -1.474 1.00 0.00 H new ATOM 0 HH TYR A 70 4.343 -1.316 -0.462 1.00 0.00 H new ATOM 1062 N LYS A 71 1.672 -10.084 -0.617 1.00 0.00 N ATOM 1063 CA LYS A 71 1.047 -11.347 -0.991 1.00 0.00 C ATOM 1064 C LYS A 71 0.527 -12.082 0.240 1.00 0.00 C ATOM 1065 O LYS A 71 -0.457 -12.819 0.166 1.00 0.00 O ATOM 1066 CB LYS A 71 2.045 -12.232 -1.742 1.00 0.00 C ATOM 1067 CG LYS A 71 2.663 -11.557 -2.954 1.00 0.00 C ATOM 1068 CD LYS A 71 1.673 -11.454 -4.102 1.00 0.00 C ATOM 1069 CE LYS A 71 2.380 -11.422 -5.448 1.00 0.00 C ATOM 1070 NZ LYS A 71 1.435 -11.144 -6.565 1.00 0.00 N ATOM 0 H LYS A 71 2.678 -10.142 -0.461 1.00 0.00 H new ATOM 0 HA LYS A 71 0.203 -11.126 -1.645 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.840 -12.531 -1.058 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.540 -13.144 -2.062 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.008 -10.560 -2.680 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.539 -12.119 -3.277 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.988 -12.301 -4.070 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.071 -10.553 -3.985 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.158 -10.658 -5.432 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.875 -12.377 -5.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.956 -11.130 -7.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.707 -11.886 -6.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.981 -10.221 -6.414 1.00 0.00 H new ATOM 1084 N ARG A 72 1.193 -11.876 1.372 1.00 0.00 N ATOM 1085 CA ARG A 72 0.797 -12.519 2.619 1.00 0.00 C ATOM 1086 C ARG A 72 -0.396 -11.803 3.246 1.00 0.00 C ATOM 1087 O ARG A 72 -0.628 -10.621 2.988 1.00 0.00 O ATOM 1088 CB ARG A 72 1.969 -12.537 3.602 1.00 0.00 C ATOM 1089 CG ARG A 72 3.218 -13.203 3.049 1.00 0.00 C ATOM 1090 CD ARG A 72 4.465 -12.756 3.796 1.00 0.00 C ATOM 1091 NE ARG A 72 4.694 -13.547 5.002 1.00 0.00 N ATOM 1092 CZ ARG A 72 5.822 -13.510 5.702 1.00 0.00 C ATOM 1093 NH1 ARG A 72 6.819 -12.724 5.318 1.00 0.00 N ATOM 1094 NH2 ARG A 72 5.955 -14.259 6.789 1.00 0.00 N ATOM 0 H ARG A 72 2.009 -11.269 1.451 1.00 0.00 H new ATOM 0 HA ARG A 72 0.505 -13.544 2.393 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.209 -11.513 3.886 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.663 -13.056 4.510 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.117 -14.286 3.122 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.321 -12.964 1.991 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.330 -12.839 3.139 1.00 0.00 H new ATOM 0 HD3 ARG A 72 4.369 -11.704 4.065 1.00 0.00 H new ATOM 0 HE ARG A 72 3.947 -14.162 5.324 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.720 -12.146 4.483 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.684 -12.697 5.857 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.190 -14.864 7.088 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.822 -14.230 7.326 1.00 0.00 H new ATOM 1108 N ARG A 73 -1.148 -12.526 4.068 1.00 0.00 N ATOM 1109 CA ARG A 73 -2.318 -11.960 4.730 1.00 0.00 C ATOM 1110 C ARG A 73 -1.904 -10.952 5.798 1.00 0.00 C ATOM 1111 O ARG A 73 -0.814 -11.044 6.365 1.00 0.00 O ATOM 1112 CB ARG A 73 -3.160 -13.070 5.361 1.00 0.00 C ATOM 1113 CG ARG A 73 -3.777 -14.019 4.346 1.00 0.00 C ATOM 1114 CD ARG A 73 -5.093 -14.592 4.847 1.00 0.00 C ATOM 1115 NE ARG A 73 -5.364 -15.913 4.286 1.00 0.00 N ATOM 1116 CZ ARG A 73 -5.696 -16.118 3.016 1.00 0.00 C ATOM 1117 NH1 ARG A 73 -5.797 -15.094 2.180 1.00 0.00 N ATOM 1118 NH2 ARG A 73 -5.927 -17.350 2.581 1.00 0.00 N ATOM 0 H ARG A 73 -0.969 -13.505 4.292 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.915 -11.443 3.978 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.536 -13.642 6.048 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.955 -12.618 5.954 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.943 -13.491 3.407 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.081 -14.832 4.136 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.069 -14.658 5.935 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.906 -13.914 4.587 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.295 -16.722 4.903 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.620 -14.146 2.511 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.052 -15.254 1.206 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.850 -18.140 3.222 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -6.182 -17.507 1.606 1.00 0.00 H new ATOM 1132 N LEU A 74 -2.779 -9.990 6.067 1.00 0.00 N ATOM 1133 CA LEU A 74 -2.505 -8.963 7.066 1.00 0.00 C ATOM 1134 C LEU A 74 -2.244 -9.589 8.432 1.00 0.00 C ATOM 1135 O LEU A 74 -1.207 -9.345 9.051 1.00 0.00 O ATOM 1136 CB LEU A 74 -3.678 -7.985 7.157 1.00 0.00 C ATOM 1137 CG LEU A 74 -3.650 -6.811 6.178 1.00 0.00 C ATOM 1138 CD1 LEU A 74 -5.025 -6.170 6.073 1.00 0.00 C ATOM 1139 CD2 LEU A 74 -2.612 -5.784 6.607 1.00 0.00 C ATOM 0 H LEU A 74 -3.685 -9.899 5.607 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.611 -8.421 6.758 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.602 -8.541 7.000 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.715 -7.586 8.171 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.373 -7.190 5.194 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.985 -5.336 5.372 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.744 -6.908 5.719 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.332 -5.805 7.053 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.606 -4.955 5.899 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.859 -5.410 7.601 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.627 -6.250 6.629 1.00 0.00 H new ATOM 1151 N LEU A 75 -3.189 -10.399 8.897 1.00 0.00 N ATOM 1152 CA LEU A 75 -3.060 -11.063 10.189 1.00 0.00 C ATOM 1153 C LEU A 75 -1.736 -11.813 10.286 1.00 0.00 C ATOM 1154 O LEU A 75 -1.166 -11.950 11.369 1.00 0.00 O ATOM 1155 CB LEU A 75 -4.225 -12.030 10.406 1.00 0.00 C ATOM 1156 CG LEU A 75 -4.049 -13.434 9.826 1.00 0.00 C ATOM 1157 CD1 LEU A 75 -5.176 -14.346 10.283 1.00 0.00 C ATOM 1158 CD2 LEU A 75 -3.987 -13.379 8.307 1.00 0.00 C ATOM 0 H LEU A 75 -4.053 -10.612 8.398 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.081 -10.299 10.966 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.401 -12.121 11.478 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.123 -11.589 9.972 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.108 -13.843 10.194 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.033 -15.340 9.860 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.173 -14.411 11.371 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.131 -13.942 9.946 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.862 -14.387 7.911 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.911 -12.950 7.920 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.144 -12.761 7.999 1.00 0.00 H new ATOM 1170 N ASP A 76 -1.251 -12.296 9.148 1.00 0.00 N ATOM 1171 CA ASP A 76 0.009 -13.030 9.104 1.00 0.00 C ATOM 1172 C ASP A 76 1.190 -12.098 9.354 1.00 0.00 C ATOM 1173 O ASP A 76 2.191 -12.493 9.953 1.00 0.00 O ATOM 1174 CB ASP A 76 0.170 -13.727 7.752 1.00 0.00 C ATOM 1175 CG ASP A 76 -0.431 -15.119 7.742 1.00 0.00 C ATOM 1176 OD1 ASP A 76 -0.072 -15.925 8.626 1.00 0.00 O ATOM 1177 OD2 ASP A 76 -1.259 -15.402 6.851 1.00 0.00 O ATOM 0 H ASP A 76 -1.711 -12.193 8.243 1.00 0.00 H new ATOM 0 HA ASP A 76 -0.009 -13.783 9.892 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.304 -13.124 6.977 1.00 0.00 H new ATOM 0 HB3 ASP A 76 1.229 -13.790 7.503 1.00 0.00 H new ATOM 1182 N LEU A 77 1.068 -10.859 8.889 1.00 0.00 N ATOM 1183 CA LEU A 77 2.126 -9.870 9.062 1.00 0.00 C ATOM 1184 C LEU A 77 2.010 -9.178 10.416 1.00 0.00 C ATOM 1185 O LEU A 77 2.577 -8.107 10.627 1.00 0.00 O ATOM 1186 CB LEU A 77 2.069 -8.832 7.939 1.00 0.00 C ATOM 1187 CG LEU A 77 2.391 -9.344 6.535 1.00 0.00 C ATOM 1188 CD1 LEU A 77 1.762 -8.444 5.482 1.00 0.00 C ATOM 1189 CD2 LEU A 77 3.896 -9.433 6.332 1.00 0.00 C ATOM 0 H LEU A 77 0.247 -10.516 8.390 1.00 0.00 H new ATOM 0 HA LEU A 77 3.084 -10.389 9.022 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.070 -8.396 7.925 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.764 -8.028 8.179 1.00 0.00 H new ATOM 0 HG LEU A 77 1.970 -10.344 6.428 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.002 -8.824 4.489 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.680 -8.431 5.614 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.153 -7.432 5.588 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.107 -9.799 5.327 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.339 -8.445 6.459 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.322 -10.118 7.065 1.00 0.00 H new ATOM 1201 N GLU A 78 1.273 -9.800 11.331 1.00 0.00 N ATOM 1202 CA GLU A 78 1.084 -9.244 12.666 1.00 0.00 C ATOM 1203 C GLU A 78 0.278 -7.949 12.607 1.00 0.00 C ATOM 1204 O GLU A 78 0.383 -7.098 13.491 1.00 0.00 O ATOM 1205 CB GLU A 78 2.438 -8.985 13.331 1.00 0.00 C ATOM 1206 CG GLU A 78 3.348 -10.201 13.351 1.00 0.00 C ATOM 1207 CD GLU A 78 4.786 -9.848 13.680 1.00 0.00 C ATOM 1208 OE1 GLU A 78 5.265 -8.803 13.194 1.00 0.00 O ATOM 1209 OE2 GLU A 78 5.431 -10.617 14.423 1.00 0.00 O ATOM 0 H GLU A 78 0.797 -10.688 11.173 1.00 0.00 H new ATOM 0 HA GLU A 78 0.529 -9.971 13.259 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.942 -8.173 12.806 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.272 -8.649 14.354 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.976 -10.916 14.085 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.312 -10.693 12.379 1.00 0.00 H new ATOM 1216 N LEU A 79 -0.526 -7.807 11.559 1.00 0.00 N ATOM 1217 CA LEU A 79 -1.350 -6.617 11.383 1.00 0.00 C ATOM 1218 C LEU A 79 -2.828 -6.946 11.565 1.00 0.00 C ATOM 1219 O LEU A 79 -3.700 -6.187 11.141 1.00 0.00 O ATOM 1220 CB LEU A 79 -1.117 -6.012 9.997 1.00 0.00 C ATOM 1221 CG LEU A 79 0.333 -5.979 9.514 1.00 0.00 C ATOM 1222 CD1 LEU A 79 0.470 -5.074 8.299 1.00 0.00 C ATOM 1223 CD2 LEU A 79 1.257 -5.518 10.632 1.00 0.00 C ATOM 0 H LEU A 79 -0.625 -8.501 10.818 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.063 -5.890 12.143 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.707 -6.574 9.273 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.502 -4.992 9.998 1.00 0.00 H new ATOM 0 HG LEU A 79 0.623 -6.989 9.224 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.509 -5.063 7.969 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.162 -5.448 7.494 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.162 -4.062 8.562 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.285 -5.501 10.270 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.968 -4.517 10.953 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.180 -6.206 11.474 1.00 0.00 H new ATOM 1235 N ALA A 80 -3.103 -8.081 12.199 1.00 0.00 N ATOM 1236 CA ALA A 80 -4.475 -8.508 12.441 1.00 0.00 C ATOM 1237 C ALA A 80 -5.249 -7.452 13.222 1.00 0.00 C ATOM 1238 O ALA A 80 -6.267 -6.931 12.766 1.00 0.00 O ATOM 1239 CB ALA A 80 -4.491 -9.835 13.186 1.00 0.00 C ATOM 0 H ALA A 80 -2.393 -8.721 12.554 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.964 -8.639 11.476 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.522 -10.142 13.360 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.982 -10.593 12.590 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.980 -9.722 14.142 1.00 0.00 H new ATOM 1245 N PRO A 81 -4.759 -7.128 14.428 1.00 0.00 N ATOM 1246 CA PRO A 81 -5.390 -6.131 15.298 1.00 0.00 C ATOM 1247 C PRO A 81 -5.250 -4.714 14.752 1.00 0.00 C ATOM 1248 O PRO A 81 -6.090 -4.251 13.980 1.00 0.00 O ATOM 1249 CB PRO A 81 -4.624 -6.275 16.615 1.00 0.00 C ATOM 1250 CG PRO A 81 -3.296 -6.826 16.224 1.00 0.00 C ATOM 1251 CD PRO A 81 -3.550 -7.710 15.034 1.00 0.00 C ATOM 0 HA PRO A 81 -6.464 -6.294 15.393 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.521 -5.314 17.120 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.142 -6.943 17.303 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.599 -6.026 15.974 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.851 -7.392 17.043 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.709 -7.702 14.341 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.708 -8.747 15.330 1.00 0.00 H new ATOM 1259 N SER A 82 -4.185 -4.031 15.157 1.00 0.00 N ATOM 1260 CA SER A 82 -3.937 -2.665 14.710 1.00 0.00 C ATOM 1261 C SER A 82 -2.583 -2.557 14.016 1.00 0.00 C ATOM 1262 O SER A 82 -1.601 -3.157 14.452 1.00 0.00 O ATOM 1263 CB SER A 82 -3.994 -1.701 15.896 1.00 0.00 C ATOM 1264 OG SER A 82 -3.152 -2.137 16.949 1.00 0.00 O ATOM 0 H SER A 82 -3.479 -4.401 15.794 1.00 0.00 H new ATOM 0 HA SER A 82 -4.714 -2.396 13.994 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.692 -0.705 15.574 1.00 0.00 H new ATOM 0 HB3 SER A 82 -5.020 -1.622 16.256 1.00 0.00 H new ATOM 0 HG SER A 82 -3.205 -1.503 17.694 1.00 0.00 H new ATOM 1270 N ALA A 83 -2.539 -1.788 12.934 1.00 0.00 N ATOM 1271 CA ALA A 83 -1.306 -1.599 12.180 1.00 0.00 C ATOM 1272 C ALA A 83 -1.188 -0.166 11.670 1.00 0.00 C ATOM 1273 O ALA A 83 -2.190 0.472 11.346 1.00 0.00 O ATOM 1274 CB ALA A 83 -1.241 -2.581 11.020 1.00 0.00 C ATOM 0 H ALA A 83 -3.344 -1.285 12.559 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.467 -1.789 12.850 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.315 -2.428 10.466 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.270 -3.601 11.404 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.091 -2.419 10.358 1.00 0.00 H new ATOM 1280 N SER A 84 0.041 0.334 11.603 1.00 0.00 N ATOM 1281 CA SER A 84 0.289 1.693 11.137 1.00 0.00 C ATOM 1282 C SER A 84 1.237 1.693 9.941 1.00 0.00 C ATOM 1283 O SER A 84 2.433 1.440 10.082 1.00 0.00 O ATOM 1284 CB SER A 84 0.875 2.543 12.266 1.00 0.00 C ATOM 1285 OG SER A 84 0.063 2.480 13.425 1.00 0.00 O ATOM 0 H SER A 84 0.881 -0.182 11.866 1.00 0.00 H new ATOM 0 HA SER A 84 -0.663 2.123 10.824 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.880 2.195 12.503 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.965 3.578 11.937 1.00 0.00 H new ATOM 0 HG SER A 84 0.460 3.030 14.133 1.00 0.00 H new ATOM 1291 N VAL A 85 0.692 1.978 8.762 1.00 0.00 N ATOM 1292 CA VAL A 85 1.487 2.013 7.541 1.00 0.00 C ATOM 1293 C VAL A 85 1.649 3.440 7.030 1.00 0.00 C ATOM 1294 O VAL A 85 0.685 4.068 6.592 1.00 0.00 O ATOM 1295 CB VAL A 85 0.852 1.152 6.433 1.00 0.00 C ATOM 1296 CG1 VAL A 85 1.118 -0.324 6.684 1.00 0.00 C ATOM 1297 CG2 VAL A 85 -0.642 1.425 6.338 1.00 0.00 C ATOM 0 H VAL A 85 -0.297 2.188 8.627 1.00 0.00 H new ATOM 0 HA VAL A 85 2.467 1.607 7.791 1.00 0.00 H new ATOM 0 HB VAL A 85 1.309 1.421 5.481 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.662 -0.916 5.891 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.193 -0.503 6.697 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.690 -0.613 7.644 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.075 0.809 5.550 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.117 1.185 7.289 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.806 2.477 6.106 1.00 0.00 H new ATOM 1307 N VAL A 86 2.876 3.949 7.090 1.00 0.00 N ATOM 1308 CA VAL A 86 3.166 5.302 6.632 1.00 0.00 C ATOM 1309 C VAL A 86 3.249 5.362 5.111 1.00 0.00 C ATOM 1310 O VAL A 86 3.858 4.500 4.477 1.00 0.00 O ATOM 1311 CB VAL A 86 4.486 5.825 7.228 1.00 0.00 C ATOM 1312 CG1 VAL A 86 4.238 6.497 8.570 1.00 0.00 C ATOM 1313 CG2 VAL A 86 5.493 4.694 7.368 1.00 0.00 C ATOM 0 H VAL A 86 3.685 3.444 7.452 1.00 0.00 H new ATOM 0 HA VAL A 86 2.346 5.934 6.973 1.00 0.00 H new ATOM 0 HB VAL A 86 4.901 6.569 6.548 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.183 6.860 8.975 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.554 7.335 8.436 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.799 5.778 9.261 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.420 5.082 7.791 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.088 3.925 8.026 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.694 4.263 6.387 1.00 0.00 H new ATOM 1323 N LEU A 87 2.632 6.386 4.531 1.00 0.00 N ATOM 1324 CA LEU A 87 2.636 6.560 3.083 1.00 0.00 C ATOM 1325 C LEU A 87 3.822 7.410 2.639 1.00 0.00 C ATOM 1326 O LEU A 87 3.996 8.540 3.099 1.00 0.00 O ATOM 1327 CB LEU A 87 1.329 7.208 2.623 1.00 0.00 C ATOM 1328 CG LEU A 87 1.143 7.347 1.112 1.00 0.00 C ATOM 1329 CD1 LEU A 87 -0.335 7.350 0.754 1.00 0.00 C ATOM 1330 CD2 LEU A 87 1.819 8.613 0.606 1.00 0.00 C ATOM 0 H LEU A 87 2.123 7.108 5.041 1.00 0.00 H new ATOM 0 HA LEU A 87 2.727 5.575 2.625 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.498 6.623 3.019 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.262 8.200 3.070 1.00 0.00 H new ATOM 0 HG LEU A 87 1.611 6.490 0.627 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.448 7.450 -0.326 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.791 6.416 1.082 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.828 8.187 1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.677 8.696 -0.471 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.380 9.481 1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.885 8.570 0.829 1.00 0.00 H new ATOM 1342 N LEU A 88 4.635 6.862 1.743 1.00 0.00 N ATOM 1343 CA LEU A 88 5.804 7.571 1.235 1.00 0.00 C ATOM 1344 C LEU A 88 5.613 7.960 -0.227 1.00 0.00 C ATOM 1345 O LEU A 88 5.567 7.113 -1.119 1.00 0.00 O ATOM 1346 CB LEU A 88 7.056 6.704 1.385 1.00 0.00 C ATOM 1347 CG LEU A 88 7.426 6.301 2.812 1.00 0.00 C ATOM 1348 CD1 LEU A 88 8.138 4.957 2.819 1.00 0.00 C ATOM 1349 CD2 LEU A 88 8.294 7.370 3.461 1.00 0.00 C ATOM 0 H LEU A 88 4.506 5.928 1.353 1.00 0.00 H new ATOM 0 HA LEU A 88 5.928 8.482 1.820 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.918 5.797 0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.899 7.240 0.950 1.00 0.00 H new ATOM 0 HG LEU A 88 6.508 6.206 3.392 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.394 4.686 3.843 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.483 4.196 2.395 1.00 0.00 H new ATOM 0 HD13 LEU A 88 9.048 5.024 2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.548 7.066 4.477 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.208 7.498 2.881 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.749 8.313 3.490 1.00 0.00 H new ATOM 1361 N PRO A 89 5.499 9.272 -0.481 1.00 0.00 N ATOM 1362 CA PRO A 89 5.314 9.803 -1.835 1.00 0.00 C ATOM 1363 C PRO A 89 6.562 9.645 -2.696 1.00 0.00 C ATOM 1364 O PRO A 89 7.685 9.771 -2.208 1.00 0.00 O ATOM 1365 CB PRO A 89 5.014 11.285 -1.596 1.00 0.00 C ATOM 1366 CG PRO A 89 5.651 11.595 -0.286 1.00 0.00 C ATOM 1367 CD PRO A 89 5.544 10.338 0.534 1.00 0.00 C ATOM 0 HA PRO A 89 4.528 9.276 -2.375 1.00 0.00 H new ATOM 0 HB2 PRO A 89 5.425 11.905 -2.392 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.941 11.472 -1.568 1.00 0.00 H new ATOM 0 HG2 PRO A 89 6.693 11.887 -0.418 1.00 0.00 H new ATOM 0 HG3 PRO A 89 5.146 12.426 0.206 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.397 10.221 1.203 1.00 0.00 H new ATOM 0 HD3 PRO A 89 4.649 10.339 1.156 1.00 0.00 H new ATOM 1375 N ALA A 90 6.358 9.367 -3.980 1.00 0.00 N ATOM 1376 CA ALA A 90 7.468 9.194 -4.909 1.00 0.00 C ATOM 1377 C ALA A 90 7.452 10.270 -5.989 1.00 0.00 C ATOM 1378 O ALA A 90 6.764 10.138 -7.001 1.00 0.00 O ATOM 1379 CB ALA A 90 7.417 7.810 -5.539 1.00 0.00 C ATOM 0 H ALA A 90 5.435 9.257 -4.400 1.00 0.00 H new ATOM 0 HA ALA A 90 8.398 9.292 -4.349 1.00 0.00 H new ATOM 0 HB1 ALA A 90 8.251 7.694 -6.231 1.00 0.00 H new ATOM 0 HB2 ALA A 90 7.485 7.052 -4.758 1.00 0.00 H new ATOM 0 HB3 ALA A 90 6.478 7.691 -6.080 1.00 0.00 H new