USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 672 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 31 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.0101 K(o=-0.01,f=-0.99) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN :FLIP amide:sc= -0.371 F(o=-0.97,f=-0.37) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.189 K(o=-0.19,f=-2.1!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 78:sc= 0.43 USER MOD Single : A 36 LYS NZ :NH3+ -156:sc= -0.3 (180deg=-0.981) USER MOD Single : A 38 HIS : no HD1:sc= -0.0505 X(o=-0.051,f=-0.2) USER MOD Single : A 43 THR OG1 : rot -68:sc= 1.22 USER MOD Single : A 44 GLN : amide:sc= -0.218 X(o=-0.22,f=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.175 X(o=-0.18,f=-0.39) USER MOD Single : A 54 SER OG : rot 84:sc= 0.948 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.402 X(o=-0.4,f=-0.013) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 92:sc= 1.2 USER MOD Single : A 67 MET CE :methyl -147:sc= -0.285 (180deg=-1.03) USER MOD Single : A 68 TYR OH : rot 180:sc= -0.851 USER MOD Single : A 71 GLN : amide:sc= -0.32 K(o=-0.32,f=-2.2!) USER MOD Single : A 78 SER OG : rot 78:sc= 1.05 USER MOD Single : A 80 SER OG : rot 11:sc= 0.414 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 MET CE :methyl 148:sc= -0.516 (180deg=-1.86!) USER MOD Single : A 92 TYR OH : rot -60:sc= 0.193 USER MOD Single : A 94 ASN : amide:sc= -0.665 X(o=-0.66,f=-0.37) USER MOD Single : A 95 GLN : amide:sc= -0.476 X(o=-0.48,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 148 N ALA A 13 -7.992 2.700 8.239 1.00 0.00 N ATOM 149 CA ALA A 13 -7.075 3.617 8.903 1.00 0.00 C ATOM 150 C ALA A 13 -7.082 4.984 8.228 1.00 0.00 C ATOM 151 O ALA A 13 -7.646 5.150 7.147 1.00 0.00 O ATOM 152 CB ALA A 13 -5.668 3.038 8.915 1.00 0.00 C ATOM 0 HA ALA A 13 -7.411 3.748 9.932 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.993 3.733 9.414 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.670 2.088 9.449 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.332 2.878 7.891 1.00 0.00 H new ATOM 158 N ASN A 14 -6.451 5.960 8.873 1.00 0.00 N ATOM 159 CA ASN A 14 -6.386 7.313 8.335 1.00 0.00 C ATOM 160 C ASN A 14 -4.962 7.664 7.914 1.00 0.00 C ATOM 161 O ASN A 14 -4.753 8.407 6.955 1.00 0.00 O ATOM 162 CB ASN A 14 -6.887 8.321 9.370 1.00 0.00 C ATOM 163 CG ASN A 14 -7.378 9.607 8.735 1.00 0.00 C ATOM 164 OD1 ASN A 14 -7.195 9.832 7.538 1.00 0.00 O ATOM 165 ND2 ASN A 14 -8.007 10.460 9.535 1.00 0.00 N ATOM 0 H ASN A 14 -5.978 5.839 9.768 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.027 7.358 7.455 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -7.695 7.873 9.948 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -6.083 8.549 10.070 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -8.360 11.342 9.164 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -8.137 10.233 10.521 1.00 0.00 H new ATOM 172 N SER A 15 -3.986 7.126 8.638 1.00 0.00 N ATOM 173 CA SER A 15 -2.582 7.384 8.339 1.00 0.00 C ATOM 174 C SER A 15 -2.087 6.470 7.218 1.00 0.00 C ATOM 175 O SER A 15 -2.285 5.256 7.267 1.00 0.00 O ATOM 176 CB SER A 15 -1.727 7.182 9.591 1.00 0.00 C ATOM 177 OG SER A 15 -0.398 7.623 9.378 1.00 0.00 O ATOM 0 H SER A 15 -4.141 6.509 9.435 1.00 0.00 H new ATOM 0 HA SER A 15 -2.491 8.418 8.008 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.165 7.728 10.426 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.724 6.127 9.867 1.00 0.00 H new ATOM 0 HG SER A 15 0.127 7.484 10.194 1.00 0.00 H new ATOM 183 N PRO A 16 -1.432 7.038 6.188 1.00 0.00 N ATOM 184 CA PRO A 16 -0.913 6.259 5.059 1.00 0.00 C ATOM 185 C PRO A 16 -0.006 5.120 5.511 1.00 0.00 C ATOM 186 O PRO A 16 -0.055 4.019 4.961 1.00 0.00 O ATOM 187 CB PRO A 16 -0.116 7.284 4.248 1.00 0.00 C ATOM 188 CG PRO A 16 -0.710 8.601 4.609 1.00 0.00 C ATOM 189 CD PRO A 16 -1.147 8.478 6.041 1.00 0.00 C ATOM 0 HA PRO A 16 -1.714 5.782 4.495 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.945 7.247 4.497 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.199 7.093 3.178 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.018 9.403 4.491 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.554 8.839 3.962 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -0.367 8.806 6.729 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.029 9.085 6.246 1.00 0.00 H new ATOM 197 N GLN A 17 0.822 5.391 6.515 1.00 0.00 N ATOM 198 CA GLN A 17 1.742 4.389 7.041 1.00 0.00 C ATOM 199 C GLN A 17 0.985 3.167 7.551 1.00 0.00 C ATOM 200 O GLN A 17 1.305 2.033 7.194 1.00 0.00 O ATOM 201 CB GLN A 17 2.589 4.985 8.167 1.00 0.00 C ATOM 202 CG GLN A 17 3.389 6.207 7.746 1.00 0.00 C ATOM 203 CD GLN A 17 2.743 7.506 8.187 1.00 0.00 C ATOM 204 OE1 GLN A 17 2.449 8.377 7.228 1.00 0.00 O flip ATOM 205 NE2 GLN A 17 2.512 7.726 9.376 1.00 0.00 N flip ATOM 0 H GLN A 17 0.875 6.297 6.981 1.00 0.00 H new ATOM 0 HA GLN A 17 2.398 4.074 6.229 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.936 5.257 8.996 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.274 4.223 8.537 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.392 6.143 8.167 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.498 6.209 6.661 1.00 0.00 H new ATOM 0 HE21 GLN A 17 2.754 7.029 10.080 1.00 0.00 H new ATOM 0 HE22 GLN A 17 2.078 8.605 9.657 1.00 0.00 H new ATOM 214 N GLU A 18 -0.020 3.406 8.386 1.00 0.00 N ATOM 215 CA GLU A 18 -0.823 2.325 8.946 1.00 0.00 C ATOM 216 C GLU A 18 -1.629 1.624 7.856 1.00 0.00 C ATOM 217 O GLU A 18 -1.828 0.410 7.902 1.00 0.00 O ATOM 218 CB GLU A 18 -1.762 2.864 10.025 1.00 0.00 C ATOM 219 CG GLU A 18 -1.907 1.940 11.224 1.00 0.00 C ATOM 220 CD GLU A 18 -2.604 2.607 12.393 1.00 0.00 C ATOM 221 OE1 GLU A 18 -2.526 3.849 12.501 1.00 0.00 O ATOM 222 OE2 GLU A 18 -3.227 1.887 13.201 1.00 0.00 O ATOM 0 H GLU A 18 -0.298 4.339 8.690 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.146 1.599 9.395 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.393 3.832 10.365 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.746 3.034 9.587 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.468 1.053 10.929 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.920 1.602 11.539 1.00 0.00 H new ATOM 229 N ALA A 19 -2.088 2.397 6.878 1.00 0.00 N ATOM 230 CA ALA A 19 -2.872 1.849 5.777 1.00 0.00 C ATOM 231 C ALA A 19 -2.018 0.953 4.886 1.00 0.00 C ATOM 232 O ALA A 19 -2.446 -0.130 4.486 1.00 0.00 O ATOM 233 CB ALA A 19 -3.491 2.974 4.961 1.00 0.00 C ATOM 0 H ALA A 19 -1.931 3.403 6.825 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.670 1.239 6.200 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.074 2.552 4.142 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.142 3.571 5.600 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.701 3.607 4.556 1.00 0.00 H new ATOM 239 N LEU A 20 -0.809 1.412 4.579 1.00 0.00 N ATOM 240 CA LEU A 20 0.104 0.651 3.735 1.00 0.00 C ATOM 241 C LEU A 20 0.539 -0.637 4.425 1.00 0.00 C ATOM 242 O LEU A 20 0.437 -1.723 3.854 1.00 0.00 O ATOM 243 CB LEU A 20 1.332 1.495 3.385 1.00 0.00 C ATOM 244 CG LEU A 20 2.326 0.827 2.435 1.00 0.00 C ATOM 245 CD1 LEU A 20 1.727 0.690 1.044 1.00 0.00 C ATOM 246 CD2 LEU A 20 3.626 1.617 2.383 1.00 0.00 C ATOM 0 H LEU A 20 -0.439 2.306 4.902 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.423 0.390 2.817 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.996 2.430 2.936 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.852 1.753 4.308 1.00 0.00 H new ATOM 0 HG LEU A 20 2.545 -0.172 2.813 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.449 0.212 0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.824 0.082 1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.478 1.678 0.656 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.322 1.127 1.702 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.423 2.628 2.030 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.065 1.662 3.380 1.00 0.00 H new ATOM 258 N LEU A 21 1.024 -0.510 5.655 1.00 0.00 N ATOM 259 CA LEU A 21 1.475 -1.665 6.423 1.00 0.00 C ATOM 260 C LEU A 21 0.338 -2.661 6.626 1.00 0.00 C ATOM 261 O LEU A 21 0.566 -3.869 6.709 1.00 0.00 O ATOM 262 CB LEU A 21 2.025 -1.218 7.779 1.00 0.00 C ATOM 263 CG LEU A 21 2.534 -2.349 8.675 1.00 0.00 C ATOM 264 CD1 LEU A 21 3.774 -2.990 8.073 1.00 0.00 C ATOM 265 CD2 LEU A 21 2.826 -1.828 10.074 1.00 0.00 C ATOM 0 H LEU A 21 1.115 0.382 6.142 1.00 0.00 H new ATOM 0 HA LEU A 21 2.269 -2.157 5.861 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.840 -0.514 7.610 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.242 -0.677 8.311 1.00 0.00 H new ATOM 0 HG LEU A 21 1.756 -3.109 8.746 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.122 -3.792 8.724 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.533 -3.398 7.092 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.558 -2.240 7.971 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.187 -2.645 10.699 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.586 -1.049 10.021 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.914 -1.416 10.507 1.00 0.00 H new ATOM 277 N TRP A 22 -0.885 -2.149 6.705 1.00 0.00 N ATOM 278 CA TRP A 22 -2.058 -2.994 6.899 1.00 0.00 C ATOM 279 C TRP A 22 -2.364 -3.796 5.637 1.00 0.00 C ATOM 280 O TRP A 22 -2.872 -4.915 5.710 1.00 0.00 O ATOM 281 CB TRP A 22 -3.269 -2.142 7.283 1.00 0.00 C ATOM 282 CG TRP A 22 -4.508 -2.946 7.534 1.00 0.00 C ATOM 283 CD1 TRP A 22 -4.788 -3.700 8.636 1.00 0.00 C ATOM 284 CD2 TRP A 22 -5.636 -3.077 6.660 1.00 0.00 C ATOM 285 NE1 TRP A 22 -6.021 -4.291 8.503 1.00 0.00 N ATOM 286 CE2 TRP A 22 -6.561 -3.924 7.299 1.00 0.00 C ATOM 287 CE3 TRP A 22 -5.954 -2.560 5.400 1.00 0.00 C ATOM 288 CZ2 TRP A 22 -7.782 -4.266 6.720 1.00 0.00 C ATOM 289 CZ3 TRP A 22 -7.164 -2.899 4.828 1.00 0.00 C ATOM 290 CH2 TRP A 22 -8.066 -3.745 5.486 1.00 0.00 C ATOM 0 H TRP A 22 -1.090 -1.152 6.638 1.00 0.00 H new ATOM 0 HA TRP A 22 -1.843 -3.692 7.709 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -3.030 -1.568 8.178 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -3.466 -1.424 6.487 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -4.135 -3.815 9.489 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -6.462 -4.903 9.189 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -5.266 -1.907 4.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.478 -4.918 7.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -7.420 -2.505 3.856 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -9.004 -3.991 5.011 1.00 0.00 H new ATOM 301 N ALA A 23 -2.053 -3.215 4.484 1.00 0.00 N ATOM 302 CA ALA A 23 -2.295 -3.875 3.206 1.00 0.00 C ATOM 303 C ALA A 23 -1.354 -5.060 3.013 1.00 0.00 C ATOM 304 O ALA A 23 -1.786 -6.157 2.663 1.00 0.00 O ATOM 305 CB ALA A 23 -2.141 -2.884 2.063 1.00 0.00 C ATOM 0 H ALA A 23 -1.633 -2.289 4.408 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.317 -4.254 3.208 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.324 -3.390 1.115 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.858 -2.073 2.186 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.130 -2.478 2.068 1.00 0.00 H new ATOM 311 N LEU A 24 -0.065 -4.829 3.243 1.00 0.00 N ATOM 312 CA LEU A 24 0.937 -5.877 3.093 1.00 0.00 C ATOM 313 C LEU A 24 0.650 -7.046 4.030 1.00 0.00 C ATOM 314 O LEU A 24 0.724 -8.207 3.630 1.00 0.00 O ATOM 315 CB LEU A 24 2.335 -5.317 3.371 1.00 0.00 C ATOM 316 CG LEU A 24 2.723 -4.099 2.532 1.00 0.00 C ATOM 317 CD1 LEU A 24 4.116 -3.617 2.905 1.00 0.00 C ATOM 318 CD2 LEU A 24 2.651 -4.430 1.049 1.00 0.00 C ATOM 0 H LEU A 24 0.309 -3.926 3.534 1.00 0.00 H new ATOM 0 HA LEU A 24 0.894 -6.241 2.066 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.399 -5.048 4.425 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.067 -6.106 3.198 1.00 0.00 H new ATOM 0 HG LEU A 24 2.015 -3.297 2.740 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.376 -2.750 2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.135 -3.341 3.959 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.837 -4.414 2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.930 -3.552 0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.336 -5.247 0.825 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.635 -4.728 0.792 1.00 0.00 H new ATOM 330 N ASN A 25 0.321 -6.730 5.279 1.00 0.00 N ATOM 331 CA ASN A 25 0.022 -7.754 6.273 1.00 0.00 C ATOM 332 C ASN A 25 -1.156 -8.616 5.829 1.00 0.00 C ATOM 333 O ASN A 25 -1.230 -9.801 6.157 1.00 0.00 O ATOM 334 CB ASN A 25 -0.283 -7.106 7.626 1.00 0.00 C ATOM 335 CG ASN A 25 0.818 -7.344 8.642 1.00 0.00 C ATOM 336 OD1 ASN A 25 0.797 -8.332 9.377 1.00 0.00 O ATOM 337 ND2 ASN A 25 1.786 -6.438 8.688 1.00 0.00 N ATOM 0 H ASN A 25 0.255 -5.773 5.626 1.00 0.00 H new ATOM 0 HA ASN A 25 0.898 -8.395 6.375 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.422 -6.034 7.489 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.222 -7.502 8.012 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.553 -6.545 9.351 1.00 0.00 H new ATOM 0 HD22 ASN A 25 1.763 -5.635 8.060 1.00 0.00 H new ATOM 344 N ASP A 26 -2.073 -8.015 5.079 1.00 0.00 N ATOM 345 CA ASP A 26 -3.248 -8.728 4.589 1.00 0.00 C ATOM 346 C ASP A 26 -2.873 -9.688 3.464 1.00 0.00 C ATOM 347 O ASP A 26 -3.526 -10.713 3.266 1.00 0.00 O ATOM 348 CB ASP A 26 -4.305 -7.737 4.100 1.00 0.00 C ATOM 349 CG ASP A 26 -5.711 -8.153 4.486 1.00 0.00 C ATOM 350 OD1 ASP A 26 -5.872 -8.785 5.553 1.00 0.00 O ATOM 351 OD2 ASP A 26 -6.651 -7.848 3.724 1.00 0.00 O ATOM 0 H ASP A 26 -2.026 -7.036 4.797 1.00 0.00 H new ATOM 0 HA ASP A 26 -3.660 -9.309 5.414 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.094 -6.751 4.515 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.241 -7.647 3.016 1.00 0.00 H new ATOM 356 N LEU A 27 -1.820 -9.349 2.727 1.00 0.00 N ATOM 357 CA LEU A 27 -1.360 -10.181 1.621 1.00 0.00 C ATOM 358 C LEU A 27 -1.011 -11.586 2.103 1.00 0.00 C ATOM 359 O LEU A 27 -0.215 -11.757 3.027 1.00 0.00 O ATOM 360 CB LEU A 27 -0.143 -9.544 0.947 1.00 0.00 C ATOM 361 CG LEU A 27 -0.341 -8.100 0.486 1.00 0.00 C ATOM 362 CD1 LEU A 27 0.920 -7.577 -0.186 1.00 0.00 C ATOM 363 CD2 LEU A 27 -1.531 -8.001 -0.458 1.00 0.00 C ATOM 0 H LEU A 27 -1.269 -8.504 2.876 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.171 -10.256 0.896 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.696 -9.576 1.642 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.134 -10.150 0.084 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.544 -7.483 1.361 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.761 -6.548 -0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.750 -7.612 0.520 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.154 -8.196 -1.052 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.658 -6.966 -0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.357 -8.631 -1.331 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.432 -8.335 0.056 1.00 0.00 H new ATOM 375 N GLU A 28 -1.612 -12.589 1.471 1.00 0.00 N ATOM 376 CA GLU A 28 -1.366 -13.979 1.835 1.00 0.00 C ATOM 377 C GLU A 28 0.062 -14.388 1.486 1.00 0.00 C ATOM 378 O GLU A 28 0.848 -13.578 0.996 1.00 0.00 O ATOM 379 CB GLU A 28 -2.359 -14.898 1.123 1.00 0.00 C ATOM 380 CG GLU A 28 -3.754 -14.871 1.728 1.00 0.00 C ATOM 381 CD GLU A 28 -4.693 -15.864 1.073 1.00 0.00 C ATOM 382 OE1 GLU A 28 -5.263 -15.531 0.012 1.00 0.00 O ATOM 383 OE2 GLU A 28 -4.859 -16.974 1.619 1.00 0.00 O ATOM 0 H GLU A 28 -2.273 -12.465 0.704 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.500 -14.075 2.912 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.421 -14.609 0.074 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.980 -15.920 1.150 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.688 -15.088 2.794 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.168 -13.867 1.632 1.00 0.00 H new ATOM 390 N GLU A 29 0.390 -15.650 1.744 1.00 0.00 N ATOM 391 CA GLU A 29 1.724 -16.167 1.458 1.00 0.00 C ATOM 392 C GLU A 29 1.946 -16.296 -0.046 1.00 0.00 C ATOM 393 O GLU A 29 3.070 -16.156 -0.531 1.00 0.00 O ATOM 394 CB GLU A 29 1.922 -17.525 2.137 1.00 0.00 C ATOM 395 CG GLU A 29 3.200 -17.613 2.955 1.00 0.00 C ATOM 396 CD GLU A 29 2.967 -17.347 4.429 1.00 0.00 C ATOM 397 OE1 GLU A 29 2.224 -18.125 5.063 1.00 0.00 O ATOM 398 OE2 GLU A 29 3.528 -16.360 4.950 1.00 0.00 O ATOM 0 H GLU A 29 -0.249 -16.333 2.150 1.00 0.00 H new ATOM 0 HA GLU A 29 2.455 -15.462 1.854 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.070 -17.725 2.786 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.933 -18.305 1.376 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.638 -18.604 2.833 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.924 -16.895 2.570 1.00 0.00 H new ATOM 405 N ASN A 30 0.871 -16.562 -0.779 1.00 0.00 N ATOM 406 CA ASN A 30 0.949 -16.708 -2.228 1.00 0.00 C ATOM 407 C ASN A 30 1.007 -15.346 -2.912 1.00 0.00 C ATOM 408 O ASN A 30 1.687 -15.176 -3.923 1.00 0.00 O ATOM 409 CB ASN A 30 -0.251 -17.503 -2.746 1.00 0.00 C ATOM 410 CG ASN A 30 0.061 -18.978 -2.916 1.00 0.00 C ATOM 411 OD1 ASN A 30 1.133 -19.445 -2.532 1.00 0.00 O ATOM 412 ND2 ASN A 30 -0.877 -19.718 -3.494 1.00 0.00 N ATOM 0 H ASN A 30 -0.066 -16.681 -0.393 1.00 0.00 H new ATOM 0 HA ASN A 30 1.865 -17.250 -2.464 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -1.085 -17.388 -2.054 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.571 -17.090 -3.702 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -0.724 -20.716 -3.635 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.751 -19.288 -3.797 1.00 0.00 H new ATOM 419 N SER A 31 0.286 -14.379 -2.353 1.00 0.00 N ATOM 420 CA SER A 31 0.255 -13.031 -2.910 1.00 0.00 C ATOM 421 C SER A 31 1.584 -12.318 -2.689 1.00 0.00 C ATOM 422 O SER A 31 2.066 -11.596 -3.561 1.00 0.00 O ATOM 423 CB SER A 31 -0.881 -12.223 -2.280 1.00 0.00 C ATOM 424 OG SER A 31 -1.052 -10.981 -2.941 1.00 0.00 O ATOM 0 H SER A 31 -0.284 -14.503 -1.516 1.00 0.00 H new ATOM 0 HA SER A 31 0.083 -13.113 -3.983 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.808 -12.795 -2.328 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.667 -12.051 -1.225 1.00 0.00 H new ATOM 0 HG SER A 31 -1.785 -10.485 -2.520 1.00 0.00 H new ATOM 430 N PHE A 32 2.173 -12.525 -1.515 1.00 0.00 N ATOM 431 CA PHE A 32 3.448 -11.902 -1.178 1.00 0.00 C ATOM 432 C PHE A 32 4.596 -12.563 -1.935 1.00 0.00 C ATOM 433 O PHE A 32 5.591 -11.917 -2.261 1.00 0.00 O ATOM 434 CB PHE A 32 3.699 -11.988 0.329 1.00 0.00 C ATOM 435 CG PHE A 32 4.754 -11.038 0.818 1.00 0.00 C ATOM 436 CD1 PHE A 32 4.472 -9.689 0.970 1.00 0.00 C ATOM 437 CD2 PHE A 32 6.026 -11.492 1.123 1.00 0.00 C ATOM 438 CE1 PHE A 32 5.441 -8.813 1.420 1.00 0.00 C ATOM 439 CE2 PHE A 32 6.999 -10.619 1.574 1.00 0.00 C ATOM 440 CZ PHE A 32 6.706 -9.278 1.723 1.00 0.00 C ATOM 0 H PHE A 32 1.787 -13.119 -0.781 1.00 0.00 H new ATOM 0 HA PHE A 32 3.400 -10.854 -1.473 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.767 -11.785 0.856 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.993 -13.006 0.582 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.485 -9.319 0.734 1.00 0.00 H new ATOM 0 HD2 PHE A 32 6.261 -12.540 1.007 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.209 -7.764 1.535 1.00 0.00 H new ATOM 0 HE2 PHE A 32 7.987 -10.986 1.809 1.00 0.00 H new ATOM 0 HZ PHE A 32 7.464 -8.594 2.076 1.00 0.00 H new ATOM 450 N LYS A 33 4.450 -13.855 -2.210 1.00 0.00 N ATOM 451 CA LYS A 33 5.476 -14.604 -2.928 1.00 0.00 C ATOM 452 C LYS A 33 5.654 -14.065 -4.344 1.00 0.00 C ATOM 453 O LYS A 33 6.776 -13.959 -4.841 1.00 0.00 O ATOM 454 CB LYS A 33 5.114 -16.091 -2.972 1.00 0.00 C ATOM 455 CG LYS A 33 6.130 -16.985 -2.279 1.00 0.00 C ATOM 456 CD LYS A 33 5.516 -18.315 -1.873 1.00 0.00 C ATOM 457 CE LYS A 33 6.483 -19.467 -2.097 1.00 0.00 C ATOM 458 NZ LYS A 33 7.625 -19.427 -1.142 1.00 0.00 N ATOM 0 H LYS A 33 3.632 -14.405 -1.947 1.00 0.00 H new ATOM 0 HA LYS A 33 6.419 -14.484 -2.395 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.139 -16.233 -2.505 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.018 -16.402 -4.012 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.975 -17.161 -2.945 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.520 -16.478 -1.396 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.229 -18.279 -0.822 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.605 -18.487 -2.446 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.952 -20.413 -1.989 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.862 -19.429 -3.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.261 -20.229 -1.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.147 -18.536 -1.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.265 -19.489 -0.168 1.00 0.00 H new ATOM 472 N THR A 34 4.542 -13.727 -4.989 1.00 0.00 N ATOM 473 CA THR A 34 4.578 -13.202 -6.349 1.00 0.00 C ATOM 474 C THR A 34 4.827 -11.697 -6.345 1.00 0.00 C ATOM 475 O THR A 34 5.536 -11.174 -7.205 1.00 0.00 O ATOM 476 CB THR A 34 3.265 -13.509 -7.070 1.00 0.00 C ATOM 477 OG1 THR A 34 2.752 -14.766 -6.665 1.00 0.00 O ATOM 478 CG2 THR A 34 3.403 -13.536 -8.578 1.00 0.00 C ATOM 0 H THR A 34 3.606 -13.807 -4.592 1.00 0.00 H new ATOM 0 HA THR A 34 5.399 -13.687 -6.877 1.00 0.00 H new ATOM 0 HB THR A 34 2.589 -12.699 -6.796 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.321 -14.677 -5.790 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.436 -13.759 -9.028 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.751 -12.564 -8.929 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.122 -14.304 -8.864 1.00 0.00 H new ATOM 486 N LEU A 35 4.241 -11.007 -5.373 1.00 0.00 N ATOM 487 CA LEU A 35 4.399 -9.562 -5.259 1.00 0.00 C ATOM 488 C LEU A 35 5.848 -9.192 -4.959 1.00 0.00 C ATOM 489 O LEU A 35 6.322 -8.128 -5.357 1.00 0.00 O ATOM 490 CB LEU A 35 3.484 -9.013 -4.162 1.00 0.00 C ATOM 491 CG LEU A 35 3.540 -7.495 -3.971 1.00 0.00 C ATOM 492 CD1 LEU A 35 2.718 -6.793 -5.041 1.00 0.00 C ATOM 493 CD2 LEU A 35 3.047 -7.115 -2.583 1.00 0.00 C ATOM 0 H LEU A 35 3.652 -11.425 -4.653 1.00 0.00 H new ATOM 0 HA LEU A 35 4.120 -9.116 -6.214 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.457 -9.297 -4.391 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.745 -9.492 -3.219 1.00 0.00 H new ATOM 0 HG LEU A 35 4.577 -7.173 -4.068 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.769 -5.715 -4.890 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.115 -7.041 -6.026 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.680 -7.120 -4.975 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.094 -6.033 -2.464 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.017 -7.450 -2.458 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.677 -7.590 -1.831 1.00 0.00 H new ATOM 505 N LYS A 36 6.547 -10.078 -4.255 1.00 0.00 N ATOM 506 CA LYS A 36 7.943 -9.844 -3.902 1.00 0.00 C ATOM 507 C LYS A 36 8.798 -9.649 -5.150 1.00 0.00 C ATOM 508 O LYS A 36 9.633 -8.746 -5.209 1.00 0.00 O ATOM 509 CB LYS A 36 8.482 -11.013 -3.072 1.00 0.00 C ATOM 510 CG LYS A 36 8.919 -10.613 -1.672 1.00 0.00 C ATOM 511 CD LYS A 36 10.069 -11.476 -1.181 1.00 0.00 C ATOM 512 CE LYS A 36 10.001 -11.693 0.322 1.00 0.00 C ATOM 513 NZ LYS A 36 11.314 -12.115 0.883 1.00 0.00 N ATOM 0 H LYS A 36 6.170 -10.964 -3.918 1.00 0.00 H new ATOM 0 HA LYS A 36 7.994 -8.932 -3.308 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.712 -11.781 -2.998 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.328 -11.459 -3.594 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.221 -9.566 -1.669 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.076 -10.703 -0.987 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.045 -12.439 -1.690 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.016 -11.003 -1.439 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.678 -10.772 0.807 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.250 -12.451 0.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.162 -12.631 1.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.799 -12.734 0.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.899 -11.275 1.066 1.00 0.00 H new ATOM 527 N PHE A 37 8.587 -10.504 -6.146 1.00 0.00 N ATOM 528 CA PHE A 37 9.339 -10.425 -7.393 1.00 0.00 C ATOM 529 C PHE A 37 8.979 -9.164 -8.172 1.00 0.00 C ATOM 530 O PHE A 37 9.807 -8.612 -8.896 1.00 0.00 O ATOM 531 CB PHE A 37 9.070 -11.663 -8.252 1.00 0.00 C ATOM 532 CG PHE A 37 10.269 -12.125 -9.030 1.00 0.00 C ATOM 533 CD1 PHE A 37 11.267 -12.865 -8.417 1.00 0.00 C ATOM 534 CD2 PHE A 37 10.398 -11.819 -10.376 1.00 0.00 C ATOM 535 CE1 PHE A 37 12.371 -13.292 -9.130 1.00 0.00 C ATOM 536 CE2 PHE A 37 11.499 -12.244 -11.095 1.00 0.00 C ATOM 537 CZ PHE A 37 12.487 -12.980 -10.471 1.00 0.00 C ATOM 0 H PHE A 37 7.902 -11.259 -6.114 1.00 0.00 H new ATOM 0 HA PHE A 37 10.400 -10.384 -7.145 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.729 -12.475 -7.609 1.00 0.00 H new ATOM 0 HB3 PHE A 37 8.259 -11.444 -8.946 1.00 0.00 H new ATOM 0 HD1 PHE A 37 11.181 -13.111 -7.369 1.00 0.00 H new ATOM 0 HD2 PHE A 37 9.629 -11.242 -10.868 1.00 0.00 H new ATOM 0 HE1 PHE A 37 13.142 -13.868 -8.640 1.00 0.00 H new ATOM 0 HE2 PHE A 37 11.587 -12.001 -12.144 1.00 0.00 H new ATOM 0 HZ PHE A 37 13.349 -13.311 -11.031 1.00 0.00 H new ATOM 547 N HIS A 38 7.738 -8.713 -8.019 1.00 0.00 N ATOM 548 CA HIS A 38 7.268 -7.517 -8.708 1.00 0.00 C ATOM 549 C HIS A 38 7.900 -6.257 -8.120 1.00 0.00 C ATOM 550 O HIS A 38 7.989 -5.228 -8.789 1.00 0.00 O ATOM 551 CB HIS A 38 5.743 -7.423 -8.625 1.00 0.00 C ATOM 552 CG HIS A 38 5.045 -7.950 -9.840 1.00 0.00 C ATOM 553 ND1 HIS A 38 5.368 -7.588 -11.129 1.00 0.00 N ATOM 554 CD2 HIS A 38 4.020 -8.834 -9.945 1.00 0.00 C ATOM 555 CE1 HIS A 38 4.548 -8.246 -11.959 1.00 0.00 C ATOM 556 NE2 HIS A 38 3.711 -9.017 -11.291 1.00 0.00 N ATOM 0 H HIS A 38 7.040 -9.158 -7.424 1.00 0.00 H new ATOM 0 HA HIS A 38 7.567 -7.593 -9.754 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.400 -7.976 -7.750 1.00 0.00 H new ATOM 0 HB3 HIS A 38 5.459 -6.381 -8.476 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.523 -9.318 -9.117 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.569 -8.157 -13.035 1.00 0.00 H new ATOM 0 HE2 HIS A 38 2.987 -9.622 -11.680 1.00 0.00 H new ATOM 564 N LEU A 39 8.337 -6.344 -6.866 1.00 0.00 N ATOM 565 CA LEU A 39 8.959 -5.209 -6.191 1.00 0.00 C ATOM 566 C LEU A 39 10.126 -4.657 -7.004 1.00 0.00 C ATOM 567 O LEU A 39 10.387 -3.455 -6.996 1.00 0.00 O ATOM 568 CB LEU A 39 9.442 -5.620 -4.799 1.00 0.00 C ATOM 569 CG LEU A 39 8.400 -6.331 -3.934 1.00 0.00 C ATOM 570 CD1 LEU A 39 8.959 -6.612 -2.548 1.00 0.00 C ATOM 571 CD2 LEU A 39 7.130 -5.500 -3.840 1.00 0.00 C ATOM 0 H LEU A 39 8.272 -7.188 -6.297 1.00 0.00 H new ATOM 0 HA LEU A 39 8.209 -4.424 -6.093 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.307 -6.274 -4.910 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.782 -4.729 -4.272 1.00 0.00 H new ATOM 0 HG LEU A 39 8.154 -7.283 -4.404 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.204 -7.118 -1.947 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.841 -7.247 -2.633 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.234 -5.672 -2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.399 -6.021 -3.221 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.360 -4.533 -3.393 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.719 -5.350 -4.838 1.00 0.00 H new ATOM 583 N ARG A 40 10.825 -5.544 -7.705 1.00 0.00 N ATOM 584 CA ARG A 40 11.966 -5.144 -8.522 1.00 0.00 C ATOM 585 C ARG A 40 11.503 -4.474 -9.812 1.00 0.00 C ATOM 586 O ARG A 40 12.187 -3.605 -10.351 1.00 0.00 O ATOM 587 CB ARG A 40 12.836 -6.359 -8.850 1.00 0.00 C ATOM 588 CG ARG A 40 14.231 -5.995 -9.332 1.00 0.00 C ATOM 589 CD ARG A 40 14.670 -6.879 -10.488 1.00 0.00 C ATOM 590 NE ARG A 40 15.010 -8.229 -10.046 1.00 0.00 N ATOM 591 CZ ARG A 40 15.625 -9.128 -10.813 1.00 0.00 C ATOM 592 NH1 ARG A 40 15.970 -8.823 -12.058 1.00 0.00 N ATOM 593 NH2 ARG A 40 15.897 -10.334 -10.333 1.00 0.00 N ATOM 0 H ARG A 40 10.622 -6.543 -7.724 1.00 0.00 H new ATOM 0 HA ARG A 40 12.556 -4.426 -7.951 1.00 0.00 H new ATOM 0 HB2 ARG A 40 12.919 -6.986 -7.962 1.00 0.00 H new ATOM 0 HB3 ARG A 40 12.340 -6.955 -9.616 1.00 0.00 H new ATOM 0 HG2 ARG A 40 14.248 -4.951 -9.644 1.00 0.00 H new ATOM 0 HG3 ARG A 40 14.939 -6.093 -8.509 1.00 0.00 H new ATOM 0 HD2 ARG A 40 13.872 -6.930 -11.229 1.00 0.00 H new ATOM 0 HD3 ARG A 40 15.533 -6.430 -10.980 1.00 0.00 H new ATOM 0 HE ARG A 40 14.762 -8.499 -9.094 1.00 0.00 H new ATOM 0 HH11 ARG A 40 15.764 -7.896 -12.432 1.00 0.00 H new ATOM 0 HH12 ARG A 40 16.441 -9.515 -12.641 1.00 0.00 H new ATOM 0 HH21 ARG A 40 15.635 -10.573 -9.377 1.00 0.00 H new ATOM 0 HH22 ARG A 40 16.368 -11.022 -10.920 1.00 0.00 H new ATOM 607 N ASP A 41 10.337 -4.885 -10.301 1.00 0.00 N ATOM 608 CA ASP A 41 9.783 -4.325 -11.528 1.00 0.00 C ATOM 609 C ASP A 41 9.160 -2.956 -11.272 1.00 0.00 C ATOM 610 O ASP A 41 9.158 -2.091 -12.147 1.00 0.00 O ATOM 611 CB ASP A 41 8.736 -5.272 -12.116 1.00 0.00 C ATOM 612 CG ASP A 41 8.789 -5.326 -13.631 1.00 0.00 C ATOM 613 OD1 ASP A 41 8.268 -4.392 -14.276 1.00 0.00 O ATOM 614 OD2 ASP A 41 9.352 -6.301 -14.172 1.00 0.00 O ATOM 0 H ASP A 41 9.758 -5.604 -9.866 1.00 0.00 H new ATOM 0 HA ASP A 41 10.598 -4.204 -12.242 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.890 -6.273 -11.714 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.743 -4.951 -11.801 1.00 0.00 H new ATOM 619 N VAL A 42 8.629 -2.769 -10.068 1.00 0.00 N ATOM 620 CA VAL A 42 8.002 -1.506 -9.698 1.00 0.00 C ATOM 621 C VAL A 42 9.013 -0.545 -9.080 1.00 0.00 C ATOM 622 O VAL A 42 8.875 0.673 -9.192 1.00 0.00 O ATOM 623 CB VAL A 42 6.845 -1.723 -8.705 1.00 0.00 C ATOM 624 CG1 VAL A 42 5.656 -2.364 -9.402 1.00 0.00 C ATOM 625 CG2 VAL A 42 7.303 -2.570 -7.527 1.00 0.00 C ATOM 0 H VAL A 42 8.621 -3.476 -9.333 1.00 0.00 H new ATOM 0 HA VAL A 42 7.608 -1.071 -10.616 1.00 0.00 H new ATOM 0 HB VAL A 42 6.532 -0.751 -8.323 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.849 -2.509 -8.684 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.313 -1.715 -10.207 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.953 -3.328 -9.815 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.472 -2.712 -6.836 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.645 -3.540 -7.888 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.120 -2.065 -7.012 1.00 0.00 H new ATOM 635 N THR A 43 10.029 -1.100 -8.428 1.00 0.00 N ATOM 636 CA THR A 43 11.062 -0.290 -7.794 1.00 0.00 C ATOM 637 C THR A 43 12.452 -0.832 -8.110 1.00 0.00 C ATOM 638 O THR A 43 12.704 -2.031 -7.984 1.00 0.00 O ATOM 639 CB THR A 43 10.849 -0.250 -6.280 1.00 0.00 C ATOM 640 OG1 THR A 43 11.236 -1.477 -5.686 1.00 0.00 O ATOM 641 CG2 THR A 43 9.414 0.019 -5.883 1.00 0.00 C ATOM 0 H THR A 43 10.159 -2.106 -8.325 1.00 0.00 H new ATOM 0 HA THR A 43 10.989 0.722 -8.192 1.00 0.00 H new ATOM 0 HB THR A 43 11.467 0.574 -5.924 1.00 0.00 H new ATOM 0 HG1 THR A 43 10.621 -2.186 -5.969 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.334 0.034 -4.796 1.00 0.00 H new ATOM 0 HG22 THR A 43 9.100 0.983 -6.283 1.00 0.00 H new ATOM 0 HG23 THR A 43 8.772 -0.766 -6.283 1.00 0.00 H new ATOM 649 N GLN A 44 13.350 0.057 -8.519 1.00 0.00 N ATOM 650 CA GLN A 44 14.715 -0.332 -8.852 1.00 0.00 C ATOM 651 C GLN A 44 15.691 0.803 -8.561 1.00 0.00 C ATOM 652 O GLN A 44 16.128 1.507 -9.470 1.00 0.00 O ATOM 653 CB GLN A 44 14.806 -0.735 -10.326 1.00 0.00 C ATOM 654 CG GLN A 44 16.071 -1.506 -10.667 1.00 0.00 C ATOM 655 CD GLN A 44 16.058 -2.050 -12.083 1.00 0.00 C ATOM 656 OE1 GLN A 44 16.982 -1.812 -12.860 1.00 0.00 O ATOM 657 NE2 GLN A 44 15.004 -2.782 -12.425 1.00 0.00 N ATOM 0 H GLN A 44 13.157 1.053 -8.628 1.00 0.00 H new ATOM 0 HA GLN A 44 14.985 -1.186 -8.231 1.00 0.00 H new ATOM 0 HB2 GLN A 44 13.939 -1.344 -10.582 1.00 0.00 H new ATOM 0 HB3 GLN A 44 14.759 0.162 -10.943 1.00 0.00 H new ATOM 0 HG2 GLN A 44 16.935 -0.854 -10.540 1.00 0.00 H new ATOM 0 HG3 GLN A 44 16.189 -2.332 -9.965 1.00 0.00 H new ATOM 0 HE21 GLN A 44 14.261 -2.954 -11.748 1.00 0.00 H new ATOM 0 HE22 GLN A 44 14.938 -3.172 -13.365 1.00 0.00 H new ATOM 666 N PHE A 45 16.028 0.973 -7.287 1.00 0.00 N ATOM 667 CA PHE A 45 16.952 2.023 -6.874 1.00 0.00 C ATOM 668 C PHE A 45 18.132 1.436 -6.106 1.00 0.00 C ATOM 669 O PHE A 45 19.285 1.800 -6.345 1.00 0.00 O ATOM 670 CB PHE A 45 16.230 3.057 -6.009 1.00 0.00 C ATOM 671 CG PHE A 45 17.006 4.329 -5.820 1.00 0.00 C ATOM 672 CD1 PHE A 45 17.310 5.138 -6.904 1.00 0.00 C ATOM 673 CD2 PHE A 45 17.432 4.716 -4.560 1.00 0.00 C ATOM 674 CE1 PHE A 45 18.023 6.309 -6.734 1.00 0.00 C ATOM 675 CE2 PHE A 45 18.146 5.887 -4.384 1.00 0.00 C ATOM 676 CZ PHE A 45 18.442 6.683 -5.473 1.00 0.00 C ATOM 0 H PHE A 45 15.675 0.397 -6.523 1.00 0.00 H new ATOM 0 HA PHE A 45 17.331 2.512 -7.771 1.00 0.00 H new ATOM 0 HB2 PHE A 45 15.268 3.292 -6.465 1.00 0.00 H new ATOM 0 HB3 PHE A 45 16.021 2.620 -5.033 1.00 0.00 H new ATOM 0 HD1 PHE A 45 16.986 4.849 -7.893 1.00 0.00 H new ATOM 0 HD2 PHE A 45 17.204 4.096 -3.706 1.00 0.00 H new ATOM 0 HE1 PHE A 45 18.252 6.931 -7.587 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.472 6.179 -3.396 1.00 0.00 H new ATOM 0 HZ PHE A 45 19.001 7.597 -5.338 1.00 0.00 H new ATOM 686 N HIS A 46 17.838 0.525 -5.184 1.00 0.00 N ATOM 687 CA HIS A 46 18.874 -0.113 -4.381 1.00 0.00 C ATOM 688 C HIS A 46 18.470 -1.533 -4.000 1.00 0.00 C ATOM 689 O HIS A 46 18.817 -2.020 -2.924 1.00 0.00 O ATOM 690 CB HIS A 46 19.149 0.709 -3.119 1.00 0.00 C ATOM 691 CG HIS A 46 20.477 0.416 -2.493 1.00 0.00 C ATOM 692 ND1 HIS A 46 21.472 -0.312 -3.106 1.00 0.00 N ATOM 693 CD2 HIS A 46 20.967 0.771 -1.278 1.00 0.00 C ATOM 694 CE1 HIS A 46 22.513 -0.377 -2.265 1.00 0.00 C ATOM 695 NE2 HIS A 46 22.257 0.265 -1.141 1.00 0.00 N ATOM 0 H HIS A 46 16.890 0.212 -4.975 1.00 0.00 H new ATOM 0 HA HIS A 46 19.784 -0.162 -4.979 1.00 0.00 H new ATOM 0 HB2 HIS A 46 19.099 1.769 -3.368 1.00 0.00 H new ATOM 0 HB3 HIS A 46 18.362 0.515 -2.390 1.00 0.00 H new ATOM 0 HD2 HIS A 46 20.440 1.353 -0.536 1.00 0.00 H new ATOM 0 HE1 HIS A 46 23.440 -0.888 -2.479 1.00 0.00 H new ATOM 0 HE2 HIS A 46 22.876 0.369 -0.337 1.00 0.00 H new ATOM 703 N LEU A 47 17.734 -2.191 -4.889 1.00 0.00 N ATOM 704 CA LEU A 47 17.282 -3.557 -4.647 1.00 0.00 C ATOM 705 C LEU A 47 17.648 -4.466 -5.815 1.00 0.00 C ATOM 706 O LEU A 47 17.024 -4.412 -6.875 1.00 0.00 O ATOM 707 CB LEU A 47 15.769 -3.582 -4.421 1.00 0.00 C ATOM 708 CG LEU A 47 15.237 -2.507 -3.470 1.00 0.00 C ATOM 709 CD1 LEU A 47 13.885 -1.996 -3.944 1.00 0.00 C ATOM 710 CD2 LEU A 47 15.136 -3.053 -2.054 1.00 0.00 C ATOM 0 H LEU A 47 17.438 -1.801 -5.784 1.00 0.00 H new ATOM 0 HA LEU A 47 17.783 -3.926 -3.752 1.00 0.00 H new ATOM 0 HB2 LEU A 47 15.271 -3.471 -5.384 1.00 0.00 H new ATOM 0 HB3 LEU A 47 15.492 -4.561 -4.030 1.00 0.00 H new ATOM 0 HG LEU A 47 15.937 -1.671 -3.468 1.00 0.00 H new ATOM 0 HD11 LEU A 47 13.523 -1.233 -3.255 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.987 -1.567 -4.941 1.00 0.00 H new ATOM 0 HD13 LEU A 47 13.175 -2.822 -3.976 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.756 -2.276 -1.391 1.00 0.00 H new ATOM 0 HD22 LEU A 47 14.457 -3.906 -2.040 1.00 0.00 H new ATOM 0 HD23 LEU A 47 16.122 -3.369 -1.715 1.00 0.00 H new ATOM 722 N ALA A 48 18.663 -5.299 -5.615 1.00 0.00 N ATOM 723 CA ALA A 48 19.112 -6.220 -6.651 1.00 0.00 C ATOM 724 C ALA A 48 20.094 -7.243 -6.092 1.00 0.00 C ATOM 725 O ALA A 48 20.017 -8.430 -6.411 1.00 0.00 O ATOM 726 CB ALA A 48 19.748 -5.449 -7.800 1.00 0.00 C ATOM 0 H ALA A 48 19.191 -5.355 -4.744 1.00 0.00 H new ATOM 0 HA ALA A 48 18.242 -6.760 -7.024 1.00 0.00 H new ATOM 0 HB1 ALA A 48 20.080 -6.148 -8.568 1.00 0.00 H new ATOM 0 HB2 ALA A 48 19.017 -4.762 -8.226 1.00 0.00 H new ATOM 0 HB3 ALA A 48 20.604 -4.884 -7.430 1.00 0.00 H new ATOM 732 N ARG A 49 21.015 -6.776 -5.256 1.00 0.00 N ATOM 733 CA ARG A 49 22.013 -7.651 -4.652 1.00 0.00 C ATOM 734 C ARG A 49 21.348 -8.735 -3.808 1.00 0.00 C ATOM 735 O ARG A 49 21.625 -9.922 -3.974 1.00 0.00 O ATOM 736 CB ARG A 49 22.980 -6.838 -3.790 1.00 0.00 C ATOM 737 CG ARG A 49 24.187 -6.319 -4.555 1.00 0.00 C ATOM 738 CD ARG A 49 24.600 -4.938 -4.073 1.00 0.00 C ATOM 739 NE ARG A 49 26.004 -4.655 -4.360 1.00 0.00 N ATOM 740 CZ ARG A 49 27.020 -5.164 -3.667 1.00 0.00 C ATOM 741 NH1 ARG A 49 26.792 -5.980 -2.646 1.00 0.00 N ATOM 742 NH2 ARG A 49 28.267 -4.855 -3.995 1.00 0.00 N ATOM 0 H ARG A 49 21.091 -5.797 -4.981 1.00 0.00 H new ATOM 0 HA ARG A 49 22.571 -8.133 -5.455 1.00 0.00 H new ATOM 0 HB2 ARG A 49 22.445 -5.994 -3.356 1.00 0.00 H new ATOM 0 HB3 ARG A 49 23.324 -7.457 -2.962 1.00 0.00 H new ATOM 0 HG2 ARG A 49 25.020 -7.012 -4.435 1.00 0.00 H new ATOM 0 HG3 ARG A 49 23.955 -6.280 -5.619 1.00 0.00 H new ATOM 0 HD2 ARG A 49 23.973 -4.185 -4.551 1.00 0.00 H new ATOM 0 HD3 ARG A 49 24.427 -4.862 -2.999 1.00 0.00 H new ATOM 0 HE ARG A 49 26.218 -4.030 -5.137 1.00 0.00 H new ATOM 0 HH11 ARG A 49 25.835 -6.220 -2.389 1.00 0.00 H new ATOM 0 HH12 ARG A 49 27.574 -6.367 -2.118 1.00 0.00 H new ATOM 0 HH21 ARG A 49 28.448 -4.227 -4.778 1.00 0.00 H new ATOM 0 HH22 ARG A 49 29.046 -5.245 -3.464 1.00 0.00 H new ATOM 756 N GLY A 50 20.471 -8.316 -2.902 1.00 0.00 N ATOM 757 CA GLY A 50 19.780 -9.262 -2.046 1.00 0.00 C ATOM 758 C GLY A 50 18.883 -8.578 -1.033 1.00 0.00 C ATOM 759 O GLY A 50 18.841 -8.969 0.133 1.00 0.00 O ATOM 0 H GLY A 50 20.226 -7.338 -2.745 1.00 0.00 H new ATOM 0 HA2 GLY A 50 19.182 -9.934 -2.661 1.00 0.00 H new ATOM 0 HA3 GLY A 50 20.513 -9.876 -1.522 1.00 0.00 H new ATOM 763 N GLU A 51 18.164 -7.554 -1.480 1.00 0.00 N ATOM 764 CA GLU A 51 17.263 -6.812 -0.605 1.00 0.00 C ATOM 765 C GLU A 51 15.820 -7.268 -0.796 1.00 0.00 C ATOM 766 O GLU A 51 15.017 -7.222 0.135 1.00 0.00 O ATOM 767 CB GLU A 51 17.377 -5.311 -0.877 1.00 0.00 C ATOM 768 CG GLU A 51 18.794 -4.776 -0.754 1.00 0.00 C ATOM 769 CD GLU A 51 19.014 -3.996 0.528 1.00 0.00 C ATOM 770 OE1 GLU A 51 18.640 -2.804 0.569 1.00 0.00 O ATOM 771 OE2 GLU A 51 19.559 -4.576 1.490 1.00 0.00 O ATOM 0 H GLU A 51 18.187 -7.219 -2.443 1.00 0.00 H new ATOM 0 HA GLU A 51 17.553 -7.010 0.427 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.005 -5.103 -1.880 1.00 0.00 H new ATOM 0 HB3 GLU A 51 16.733 -4.774 -0.180 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.497 -5.608 -0.794 1.00 0.00 H new ATOM 0 HG3 GLU A 51 19.011 -4.134 -1.607 1.00 0.00 H new ATOM 778 N LEU A 52 15.496 -7.703 -2.010 1.00 0.00 N ATOM 779 CA LEU A 52 14.149 -8.166 -2.322 1.00 0.00 C ATOM 780 C LEU A 52 13.753 -9.337 -1.429 1.00 0.00 C ATOM 781 O LEU A 52 12.606 -9.441 -0.995 1.00 0.00 O ATOM 782 CB LEU A 52 14.056 -8.573 -3.795 1.00 0.00 C ATOM 783 CG LEU A 52 12.813 -8.065 -4.528 1.00 0.00 C ATOM 784 CD1 LEU A 52 12.726 -6.549 -4.443 1.00 0.00 C ATOM 785 CD2 LEU A 52 12.829 -8.520 -5.979 1.00 0.00 C ATOM 0 H LEU A 52 16.148 -7.744 -2.793 1.00 0.00 H new ATOM 0 HA LEU A 52 13.457 -7.345 -2.136 1.00 0.00 H new ATOM 0 HB2 LEU A 52 14.941 -8.206 -4.314 1.00 0.00 H new ATOM 0 HB3 LEU A 52 14.077 -9.661 -3.858 1.00 0.00 H new ATOM 0 HG LEU A 52 11.931 -8.486 -4.045 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.836 -6.206 -4.970 1.00 0.00 H new ATOM 0 HD12 LEU A 52 12.669 -6.246 -3.398 1.00 0.00 H new ATOM 0 HD13 LEU A 52 13.611 -6.108 -4.901 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.938 -8.150 -6.486 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.717 -8.127 -6.474 1.00 0.00 H new ATOM 0 HD23 LEU A 52 12.843 -9.609 -6.019 1.00 0.00 H new ATOM 797 N GLU A 53 14.710 -10.218 -1.158 1.00 0.00 N ATOM 798 CA GLU A 53 14.460 -11.383 -0.315 1.00 0.00 C ATOM 799 C GLU A 53 14.446 -10.994 1.160 1.00 0.00 C ATOM 800 O GLU A 53 13.736 -11.599 1.964 1.00 0.00 O ATOM 801 CB GLU A 53 15.524 -12.454 -0.561 1.00 0.00 C ATOM 802 CG GLU A 53 15.407 -13.126 -1.920 1.00 0.00 C ATOM 803 CD GLU A 53 14.141 -13.948 -2.057 1.00 0.00 C ATOM 804 OE1 GLU A 53 13.801 -14.678 -1.102 1.00 0.00 O ATOM 805 OE2 GLU A 53 13.488 -13.861 -3.118 1.00 0.00 O ATOM 0 H GLU A 53 15.665 -10.148 -1.509 1.00 0.00 H new ATOM 0 HA GLU A 53 13.481 -11.786 -0.576 1.00 0.00 H new ATOM 0 HB2 GLU A 53 16.511 -12.001 -0.473 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.451 -13.213 0.218 1.00 0.00 H new ATOM 0 HG2 GLU A 53 15.428 -12.365 -2.700 1.00 0.00 H new ATOM 0 HG3 GLU A 53 16.272 -13.769 -2.079 1.00 0.00 H new ATOM 812 N SER A 54 15.234 -9.983 1.507 1.00 0.00 N ATOM 813 CA SER A 54 15.313 -9.514 2.887 1.00 0.00 C ATOM 814 C SER A 54 14.084 -8.686 3.252 1.00 0.00 C ATOM 815 O SER A 54 13.671 -8.649 4.411 1.00 0.00 O ATOM 816 CB SER A 54 16.581 -8.684 3.093 1.00 0.00 C ATOM 817 OG SER A 54 17.661 -9.205 2.338 1.00 0.00 O ATOM 0 H SER A 54 15.827 -9.472 0.853 1.00 0.00 H new ATOM 0 HA SER A 54 15.348 -10.386 3.540 1.00 0.00 H new ATOM 0 HB2 SER A 54 16.394 -7.651 2.801 1.00 0.00 H new ATOM 0 HB3 SER A 54 16.844 -8.673 4.151 1.00 0.00 H new ATOM 0 HG SER A 54 17.613 -8.864 1.420 1.00 0.00 H new ATOM 823 N LEU A 55 13.505 -8.022 2.256 1.00 0.00 N ATOM 824 CA LEU A 55 12.325 -7.193 2.474 1.00 0.00 C ATOM 825 C LEU A 55 11.179 -8.018 3.053 1.00 0.00 C ATOM 826 O LEU A 55 10.804 -9.052 2.500 1.00 0.00 O ATOM 827 CB LEU A 55 11.886 -6.540 1.161 1.00 0.00 C ATOM 828 CG LEU A 55 12.557 -5.202 0.849 1.00 0.00 C ATOM 829 CD1 LEU A 55 12.223 -4.756 -0.566 1.00 0.00 C ATOM 830 CD2 LEU A 55 12.132 -4.145 1.858 1.00 0.00 C ATOM 0 H LEU A 55 13.834 -8.042 1.291 1.00 0.00 H new ATOM 0 HA LEU A 55 12.586 -6.414 3.191 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.090 -7.231 0.343 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.807 -6.390 1.190 1.00 0.00 H new ATOM 0 HG LEU A 55 13.637 -5.332 0.922 1.00 0.00 H new ATOM 0 HD11 LEU A 55 12.709 -3.802 -0.771 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.577 -5.503 -1.276 1.00 0.00 H new ATOM 0 HD13 LEU A 55 11.144 -4.642 -0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.619 -3.199 1.621 1.00 0.00 H new ATOM 0 HD22 LEU A 55 11.050 -4.017 1.817 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.422 -4.461 2.860 1.00 0.00 H new ATOM 842 N SER A 56 10.626 -7.552 4.168 1.00 0.00 N ATOM 843 CA SER A 56 9.522 -8.245 4.822 1.00 0.00 C ATOM 844 C SER A 56 8.233 -7.437 4.716 1.00 0.00 C ATOM 845 O SER A 56 8.213 -6.359 4.121 1.00 0.00 O ATOM 846 CB SER A 56 9.855 -8.503 6.293 1.00 0.00 C ATOM 847 OG SER A 56 10.814 -9.538 6.426 1.00 0.00 O ATOM 0 H SER A 56 10.924 -6.697 4.638 1.00 0.00 H new ATOM 0 HA SER A 56 9.374 -9.199 4.316 1.00 0.00 H new ATOM 0 HB2 SER A 56 10.237 -7.589 6.748 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.947 -8.773 6.833 1.00 0.00 H new ATOM 0 HG SER A 56 11.011 -9.682 7.375 1.00 0.00 H new ATOM 853 N GLN A 57 7.160 -7.964 5.294 1.00 0.00 N ATOM 854 CA GLN A 57 5.866 -7.292 5.263 1.00 0.00 C ATOM 855 C GLN A 57 5.923 -5.962 6.011 1.00 0.00 C ATOM 856 O GLN A 57 5.194 -5.025 5.685 1.00 0.00 O ATOM 857 CB GLN A 57 4.786 -8.189 5.873 1.00 0.00 C ATOM 858 CG GLN A 57 3.924 -8.894 4.838 1.00 0.00 C ATOM 859 CD GLN A 57 3.300 -10.168 5.370 1.00 0.00 C ATOM 860 OE1 GLN A 57 3.309 -11.203 4.704 1.00 0.00 O ATOM 861 NE2 GLN A 57 2.752 -10.099 6.578 1.00 0.00 N ATOM 0 H GLN A 57 7.160 -8.855 5.790 1.00 0.00 H new ATOM 0 HA GLN A 57 5.615 -7.091 4.222 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.262 -8.937 6.507 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.146 -7.586 6.517 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.135 -8.219 4.506 1.00 0.00 H new ATOM 0 HG3 GLN A 57 4.531 -9.129 3.964 1.00 0.00 H new ATOM 0 HE21 GLN A 57 2.767 -9.220 7.095 1.00 0.00 H new ATOM 0 HE22 GLN A 57 2.316 -10.925 6.988 1.00 0.00 H new ATOM 870 N VAL A 58 6.792 -5.888 7.013 1.00 0.00 N ATOM 871 CA VAL A 58 6.941 -4.674 7.807 1.00 0.00 C ATOM 872 C VAL A 58 8.030 -3.771 7.237 1.00 0.00 C ATOM 873 O VAL A 58 7.803 -2.586 6.994 1.00 0.00 O ATOM 874 CB VAL A 58 7.278 -5.001 9.274 1.00 0.00 C ATOM 875 CG1 VAL A 58 7.238 -3.741 10.126 1.00 0.00 C ATOM 876 CG2 VAL A 58 6.324 -6.052 9.821 1.00 0.00 C ATOM 0 H VAL A 58 7.404 -6.654 7.295 1.00 0.00 H new ATOM 0 HA VAL A 58 5.985 -4.153 7.768 1.00 0.00 H new ATOM 0 HB VAL A 58 8.289 -5.406 9.312 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.479 -3.992 11.159 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.966 -3.023 9.748 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.241 -3.304 10.082 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.578 -6.270 10.858 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.302 -5.678 9.769 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.408 -6.963 9.228 1.00 0.00 H new ATOM 886 N ASP A 59 9.213 -4.339 7.028 1.00 0.00 N ATOM 887 CA ASP A 59 10.339 -3.585 6.489 1.00 0.00 C ATOM 888 C ASP A 59 10.001 -2.992 5.125 1.00 0.00 C ATOM 889 O ASP A 59 10.497 -1.925 4.761 1.00 0.00 O ATOM 890 CB ASP A 59 11.573 -4.484 6.375 1.00 0.00 C ATOM 891 CG ASP A 59 12.337 -4.583 7.680 1.00 0.00 C ATOM 892 OD1 ASP A 59 12.858 -3.547 8.144 1.00 0.00 O ATOM 893 OD2 ASP A 59 12.417 -5.698 8.238 1.00 0.00 O ATOM 0 H ASP A 59 9.417 -5.319 7.224 1.00 0.00 H new ATOM 0 HA ASP A 59 10.554 -2.766 7.175 1.00 0.00 H new ATOM 0 HB2 ASP A 59 11.265 -5.481 6.061 1.00 0.00 H new ATOM 0 HB3 ASP A 59 12.233 -4.095 5.599 1.00 0.00 H new ATOM 898 N LEU A 60 9.153 -3.688 4.375 1.00 0.00 N ATOM 899 CA LEU A 60 8.751 -3.227 3.051 1.00 0.00 C ATOM 900 C LEU A 60 7.953 -1.931 3.144 1.00 0.00 C ATOM 901 O LEU A 60 8.312 -0.923 2.535 1.00 0.00 O ATOM 902 CB LEU A 60 7.920 -4.301 2.344 1.00 0.00 C ATOM 903 CG LEU A 60 7.391 -3.907 0.964 1.00 0.00 C ATOM 904 CD1 LEU A 60 8.542 -3.639 0.007 1.00 0.00 C ATOM 905 CD2 LEU A 60 6.480 -4.994 0.414 1.00 0.00 C ATOM 0 H LEU A 60 8.731 -4.572 4.661 1.00 0.00 H new ATOM 0 HA LEU A 60 9.654 -3.035 2.472 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.528 -5.199 2.240 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.074 -4.561 2.980 1.00 0.00 H new ATOM 0 HG LEU A 60 6.811 -2.990 1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.146 -3.360 -0.969 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.156 -2.826 0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.150 -4.538 -0.091 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.112 -4.698 -0.568 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.038 -5.926 0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.636 -5.138 1.089 1.00 0.00 H new ATOM 917 N ALA A 61 6.866 -1.964 3.910 1.00 0.00 N ATOM 918 CA ALA A 61 6.016 -0.792 4.083 1.00 0.00 C ATOM 919 C ALA A 61 6.811 0.395 4.621 1.00 0.00 C ATOM 920 O ALA A 61 6.471 1.550 4.363 1.00 0.00 O ATOM 921 CB ALA A 61 4.855 -1.115 5.011 1.00 0.00 C ATOM 0 H ALA A 61 6.554 -2.790 4.420 1.00 0.00 H new ATOM 0 HA ALA A 61 5.622 -0.516 3.105 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.229 -0.231 5.131 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.263 -1.924 4.584 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.241 -1.421 5.983 1.00 0.00 H new ATOM 927 N SER A 62 7.869 0.102 5.370 1.00 0.00 N ATOM 928 CA SER A 62 8.710 1.145 5.944 1.00 0.00 C ATOM 929 C SER A 62 9.792 1.579 4.960 1.00 0.00 C ATOM 930 O SER A 62 10.228 2.730 4.968 1.00 0.00 O ATOM 931 CB SER A 62 9.353 0.654 7.243 1.00 0.00 C ATOM 932 OG SER A 62 9.358 1.673 8.228 1.00 0.00 O ATOM 0 H SER A 62 8.164 -0.849 5.593 1.00 0.00 H new ATOM 0 HA SER A 62 8.078 2.006 6.161 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.809 -0.214 7.616 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.375 0.329 7.046 1.00 0.00 H new ATOM 0 HG SER A 62 9.772 1.333 9.048 1.00 0.00 H new ATOM 938 N LYS A 63 10.222 0.650 4.113 1.00 0.00 N ATOM 939 CA LYS A 63 11.254 0.936 3.123 1.00 0.00 C ATOM 940 C LYS A 63 10.709 1.822 2.006 1.00 0.00 C ATOM 941 O LYS A 63 11.435 2.637 1.438 1.00 0.00 O ATOM 942 CB LYS A 63 11.802 -0.366 2.535 1.00 0.00 C ATOM 943 CG LYS A 63 13.038 -0.885 3.252 1.00 0.00 C ATOM 944 CD LYS A 63 14.256 -0.884 2.341 1.00 0.00 C ATOM 945 CE LYS A 63 15.142 0.325 2.594 1.00 0.00 C ATOM 946 NZ LYS A 63 16.378 -0.038 3.341 1.00 0.00 N ATOM 0 H LYS A 63 9.872 -0.308 4.092 1.00 0.00 H new ATOM 0 HA LYS A 63 12.062 1.470 3.623 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.023 -1.128 2.573 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.042 -0.207 1.484 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.237 -0.267 4.128 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.853 -1.897 3.611 1.00 0.00 H new ATOM 0 HD2 LYS A 63 14.831 -1.797 2.500 1.00 0.00 H new ATOM 0 HD3 LYS A 63 13.933 -0.888 1.300 1.00 0.00 H new ATOM 0 HE2 LYS A 63 15.414 0.781 1.642 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.584 1.072 3.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.955 0.814 3.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 16.120 -0.450 4.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 16.924 -0.732 2.792 1.00 0.00 H new ATOM 960 N LEU A 64 9.428 1.656 1.697 1.00 0.00 N ATOM 961 CA LEU A 64 8.787 2.440 0.647 1.00 0.00 C ATOM 962 C LEU A 64 8.634 3.897 1.072 1.00 0.00 C ATOM 963 O LEU A 64 8.674 4.804 0.240 1.00 0.00 O ATOM 964 CB LEU A 64 7.418 1.850 0.304 1.00 0.00 C ATOM 965 CG LEU A 64 7.448 0.431 -0.266 1.00 0.00 C ATOM 966 CD1 LEU A 64 6.036 -0.092 -0.471 1.00 0.00 C ATOM 967 CD2 LEU A 64 8.226 0.399 -1.573 1.00 0.00 C ATOM 0 H LEU A 64 8.813 0.986 2.158 1.00 0.00 H new ATOM 0 HA LEU A 64 9.422 2.403 -0.238 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.803 1.850 1.204 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.928 2.504 -0.417 1.00 0.00 H new ATOM 0 HG LEU A 64 7.952 -0.218 0.450 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.078 -1.103 -0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.511 -0.106 0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.505 0.557 -1.167 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.237 -0.618 -1.965 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.750 1.061 -2.296 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.249 0.731 -1.396 1.00 0.00 H new ATOM 979 N ILE A 65 8.456 4.115 2.371 1.00 0.00 N ATOM 980 CA ILE A 65 8.294 5.463 2.903 1.00 0.00 C ATOM 981 C ILE A 65 9.644 6.155 3.070 1.00 0.00 C ATOM 982 O ILE A 65 9.743 7.376 2.958 1.00 0.00 O ATOM 983 CB ILE A 65 7.566 5.446 4.261 1.00 0.00 C ATOM 984 CG1 ILE A 65 6.282 4.622 4.164 1.00 0.00 C ATOM 985 CG2 ILE A 65 7.258 6.865 4.716 1.00 0.00 C ATOM 986 CD1 ILE A 65 5.653 4.323 5.508 1.00 0.00 C ATOM 0 H ILE A 65 8.420 3.377 3.074 1.00 0.00 H new ATOM 0 HA ILE A 65 7.692 6.018 2.183 1.00 0.00 H new ATOM 0 HB ILE A 65 8.219 4.983 5.001 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.562 5.158 3.546 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.500 3.682 3.657 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.744 6.836 5.677 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.188 7.424 4.819 1.00 0.00 H new ATOM 0 HG23 ILE A 65 6.621 7.353 3.978 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.746 3.735 5.363 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.356 3.760 6.122 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.403 5.258 6.009 1.00 0.00 H new ATOM 998 N SER A 66 10.679 5.367 3.339 1.00 0.00 N ATOM 999 CA SER A 66 12.021 5.905 3.522 1.00 0.00 C ATOM 1000 C SER A 66 12.707 6.133 2.177 1.00 0.00 C ATOM 1001 O SER A 66 13.553 7.017 2.043 1.00 0.00 O ATOM 1002 CB SER A 66 12.861 4.958 4.380 1.00 0.00 C ATOM 1003 OG SER A 66 12.083 4.382 5.415 1.00 0.00 O ATOM 0 H SER A 66 10.614 4.354 3.435 1.00 0.00 H new ATOM 0 HA SER A 66 11.932 6.865 4.031 1.00 0.00 H new ATOM 0 HB2 SER A 66 13.280 4.170 3.754 1.00 0.00 H new ATOM 0 HB3 SER A 66 13.701 5.502 4.812 1.00 0.00 H new ATOM 0 HG SER A 66 11.708 3.531 5.107 1.00 0.00 H new ATOM 1009 N MET A 67 12.336 5.331 1.185 1.00 0.00 N ATOM 1010 CA MET A 67 12.917 5.446 -0.148 1.00 0.00 C ATOM 1011 C MET A 67 12.241 6.557 -0.946 1.00 0.00 C ATOM 1012 O MET A 67 12.907 7.354 -1.606 1.00 0.00 O ATOM 1013 CB MET A 67 12.795 4.117 -0.897 1.00 0.00 C ATOM 1014 CG MET A 67 13.997 3.204 -0.715 1.00 0.00 C ATOM 1015 SD MET A 67 13.989 1.810 -1.859 1.00 0.00 S ATOM 1016 CE MET A 67 12.486 0.973 -1.361 1.00 0.00 C ATOM 0 H MET A 67 11.636 4.595 1.278 1.00 0.00 H new ATOM 0 HA MET A 67 13.972 5.697 -0.035 1.00 0.00 H new ATOM 0 HB2 MET A 67 11.900 3.598 -0.555 1.00 0.00 H new ATOM 0 HB3 MET A 67 12.660 4.319 -1.960 1.00 0.00 H new ATOM 0 HG2 MET A 67 14.911 3.780 -0.857 1.00 0.00 H new ATOM 0 HG3 MET A 67 14.012 2.829 0.308 1.00 0.00 H new ATOM 0 HE1 MET A 67 12.607 -0.102 -1.494 1.00 0.00 H new ATOM 0 HE2 MET A 67 12.280 1.188 -0.312 1.00 0.00 H new ATOM 0 HE3 MET A 67 11.655 1.323 -1.973 1.00 0.00 H new ATOM 1026 N TYR A 68 10.914 6.603 -0.881 1.00 0.00 N ATOM 1027 CA TYR A 68 10.149 7.617 -1.600 1.00 0.00 C ATOM 1028 C TYR A 68 9.374 8.505 -0.633 1.00 0.00 C ATOM 1029 O TYR A 68 9.668 9.693 -0.496 1.00 0.00 O ATOM 1030 CB TYR A 68 9.186 6.954 -2.586 1.00 0.00 C ATOM 1031 CG TYR A 68 9.819 5.849 -3.403 1.00 0.00 C ATOM 1032 CD1 TYR A 68 9.883 4.550 -2.917 1.00 0.00 C ATOM 1033 CD2 TYR A 68 10.354 6.108 -4.658 1.00 0.00 C ATOM 1034 CE1 TYR A 68 10.461 3.538 -3.659 1.00 0.00 C ATOM 1035 CE2 TYR A 68 10.933 5.101 -5.407 1.00 0.00 C ATOM 1036 CZ TYR A 68 10.985 3.818 -4.903 1.00 0.00 C ATOM 1037 OH TYR A 68 11.562 2.814 -5.645 1.00 0.00 O ATOM 0 H TYR A 68 10.347 5.951 -0.339 1.00 0.00 H new ATOM 0 HA TYR A 68 10.852 8.242 -2.152 1.00 0.00 H new ATOM 0 HB2 TYR A 68 8.339 6.547 -2.035 1.00 0.00 H new ATOM 0 HB3 TYR A 68 8.792 7.713 -3.261 1.00 0.00 H new ATOM 0 HD1 TYR A 68 9.474 4.327 -1.943 1.00 0.00 H new ATOM 0 HD2 TYR A 68 10.317 7.112 -5.055 1.00 0.00 H new ATOM 0 HE1 TYR A 68 10.502 2.533 -3.266 1.00 0.00 H new ATOM 0 HE2 TYR A 68 11.343 5.318 -6.382 1.00 0.00 H new ATOM 0 HH TYR A 68 11.881 3.179 -6.497 1.00 0.00 H new ATOM 1047 N GLY A 69 8.384 7.924 0.035 1.00 0.00 N ATOM 1048 CA GLY A 69 7.583 8.679 0.980 1.00 0.00 C ATOM 1049 C GLY A 69 6.328 7.938 1.402 1.00 0.00 C ATOM 1050 O GLY A 69 6.045 6.851 0.899 1.00 0.00 O ATOM 0 H GLY A 69 8.122 6.943 -0.061 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.183 8.903 1.862 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.304 9.634 0.534 1.00 0.00 H new ATOM 1054 N ALA A 70 5.578 8.527 2.326 1.00 0.00 N ATOM 1055 CA ALA A 70 4.349 7.915 2.816 1.00 0.00 C ATOM 1056 C ALA A 70 3.277 7.890 1.732 1.00 0.00 C ATOM 1057 O ALA A 70 2.436 6.991 1.697 1.00 0.00 O ATOM 1058 CB ALA A 70 3.842 8.659 4.043 1.00 0.00 C ATOM 0 H ALA A 70 5.799 9.427 2.751 1.00 0.00 H new ATOM 0 HA ALA A 70 4.572 6.885 3.094 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.924 8.191 4.398 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.596 8.621 4.829 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.642 9.698 3.782 1.00 0.00 H new ATOM 1064 N GLN A 71 3.311 8.882 0.849 1.00 0.00 N ATOM 1065 CA GLN A 71 2.340 8.974 -0.236 1.00 0.00 C ATOM 1066 C GLN A 71 2.775 8.129 -1.430 1.00 0.00 C ATOM 1067 O GLN A 71 1.962 7.436 -2.041 1.00 0.00 O ATOM 1068 CB GLN A 71 2.162 10.431 -0.667 1.00 0.00 C ATOM 1069 CG GLN A 71 1.312 11.249 0.293 1.00 0.00 C ATOM 1070 CD GLN A 71 0.167 11.961 -0.401 1.00 0.00 C ATOM 1071 OE1 GLN A 71 -0.239 11.585 -1.500 1.00 0.00 O ATOM 1072 NE2 GLN A 71 -0.360 12.998 0.241 1.00 0.00 N ATOM 0 H GLN A 71 4.000 9.634 0.863 1.00 0.00 H new ATOM 0 HA GLN A 71 1.387 8.591 0.130 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.143 10.897 -0.758 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.704 10.456 -1.656 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.912 10.593 1.066 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.942 11.984 0.793 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.008 13.275 1.151 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.133 13.517 -0.176 1.00 0.00 H new ATOM 1081 N GLU A 72 4.062 8.194 -1.758 1.00 0.00 N ATOM 1082 CA GLU A 72 4.604 7.435 -2.879 1.00 0.00 C ATOM 1083 C GLU A 72 4.645 5.943 -2.562 1.00 0.00 C ATOM 1084 O GLU A 72 4.521 5.105 -3.455 1.00 0.00 O ATOM 1085 CB GLU A 72 6.007 7.937 -3.231 1.00 0.00 C ATOM 1086 CG GLU A 72 6.170 8.310 -4.695 1.00 0.00 C ATOM 1087 CD GLU A 72 6.161 9.809 -4.920 1.00 0.00 C ATOM 1088 OE1 GLU A 72 5.276 10.488 -4.356 1.00 0.00 O ATOM 1089 OE2 GLU A 72 7.037 10.304 -5.660 1.00 0.00 O ATOM 0 H GLU A 72 4.748 8.764 -1.264 1.00 0.00 H new ATOM 0 HA GLU A 72 3.948 7.584 -3.736 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.238 8.806 -2.615 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.734 7.165 -2.978 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.106 7.896 -5.069 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.366 7.855 -5.274 1.00 0.00 H new ATOM 1096 N ALA A 73 4.820 5.618 -1.285 1.00 0.00 N ATOM 1097 CA ALA A 73 4.878 4.228 -0.853 1.00 0.00 C ATOM 1098 C ALA A 73 3.591 3.489 -1.200 1.00 0.00 C ATOM 1099 O ALA A 73 3.602 2.283 -1.445 1.00 0.00 O ATOM 1100 CB ALA A 73 5.145 4.152 0.644 1.00 0.00 C ATOM 0 H ALA A 73 4.924 6.299 -0.532 1.00 0.00 H new ATOM 0 HA ALA A 73 5.697 3.743 -1.384 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.186 3.108 0.954 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.096 4.635 0.869 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.344 4.659 1.183 1.00 0.00 H new ATOM 1106 N VAL A 74 2.481 4.221 -1.219 1.00 0.00 N ATOM 1107 CA VAL A 74 1.184 3.635 -1.537 1.00 0.00 C ATOM 1108 C VAL A 74 0.976 3.542 -3.045 1.00 0.00 C ATOM 1109 O VAL A 74 0.289 2.644 -3.533 1.00 0.00 O ATOM 1110 CB VAL A 74 0.033 4.451 -0.922 1.00 0.00 C ATOM 1111 CG1 VAL A 74 -1.291 3.721 -1.090 1.00 0.00 C ATOM 1112 CG2 VAL A 74 0.307 4.742 0.546 1.00 0.00 C ATOM 0 H VAL A 74 2.454 5.221 -1.018 1.00 0.00 H new ATOM 0 HA VAL A 74 1.178 2.632 -1.110 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.034 5.402 -1.450 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.092 4.314 -0.649 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.492 3.572 -2.151 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.239 2.753 -0.591 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.518 5.320 0.963 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.404 3.803 1.091 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.232 5.312 0.638 1.00 0.00 H new ATOM 1122 N ARG A 75 1.575 4.475 -3.778 1.00 0.00 N ATOM 1123 CA ARG A 75 1.455 4.499 -5.231 1.00 0.00 C ATOM 1124 C ARG A 75 2.157 3.298 -5.857 1.00 0.00 C ATOM 1125 O ARG A 75 1.680 2.731 -6.841 1.00 0.00 O ATOM 1126 CB ARG A 75 2.045 5.796 -5.789 1.00 0.00 C ATOM 1127 CG ARG A 75 1.286 6.344 -6.988 1.00 0.00 C ATOM 1128 CD ARG A 75 2.150 6.370 -8.240 1.00 0.00 C ATOM 1129 NE ARG A 75 2.033 7.635 -8.960 1.00 0.00 N ATOM 1130 CZ ARG A 75 2.399 7.804 -10.228 1.00 0.00 C ATOM 1131 NH1 ARG A 75 2.906 6.790 -10.920 1.00 0.00 N ATOM 1132 NH2 ARG A 75 2.259 8.988 -10.808 1.00 0.00 N ATOM 0 H ARG A 75 2.148 5.224 -3.390 1.00 0.00 H new ATOM 0 HA ARG A 75 0.396 4.449 -5.484 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.055 6.549 -5.001 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.082 5.620 -6.075 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.402 5.732 -7.169 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.936 7.352 -6.767 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.192 6.205 -7.965 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.860 5.551 -8.898 1.00 0.00 H new ATOM 0 HE ARG A 75 1.648 8.437 -8.461 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.016 5.877 -10.480 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.185 6.925 -11.892 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.870 9.771 -10.282 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.540 9.116 -11.780 1.00 0.00 H new ATOM 1146 N VAL A 76 3.292 2.915 -5.282 1.00 0.00 N ATOM 1147 CA VAL A 76 4.059 1.782 -5.785 1.00 0.00 C ATOM 1148 C VAL A 76 3.259 0.488 -5.686 1.00 0.00 C ATOM 1149 O VAL A 76 3.122 -0.246 -6.665 1.00 0.00 O ATOM 1150 CB VAL A 76 5.384 1.615 -5.016 1.00 0.00 C ATOM 1151 CG1 VAL A 76 6.242 0.532 -5.656 1.00 0.00 C ATOM 1152 CG2 VAL A 76 6.139 2.935 -4.953 1.00 0.00 C ATOM 0 H VAL A 76 3.701 3.373 -4.467 1.00 0.00 H new ATOM 0 HA VAL A 76 4.279 1.989 -6.832 1.00 0.00 H new ATOM 0 HB VAL A 76 5.152 1.308 -3.996 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.173 0.429 -5.099 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.703 -0.415 -5.641 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.465 0.806 -6.687 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.071 2.795 -4.406 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.359 3.277 -5.964 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.528 3.680 -4.444 1.00 0.00 H new ATOM 1162 N VAL A 77 2.734 0.211 -4.496 1.00 0.00 N ATOM 1163 CA VAL A 77 1.949 -0.996 -4.268 1.00 0.00 C ATOM 1164 C VAL A 77 0.738 -1.051 -5.193 1.00 0.00 C ATOM 1165 O VAL A 77 0.450 -2.086 -5.793 1.00 0.00 O ATOM 1166 CB VAL A 77 1.468 -1.086 -2.808 1.00 0.00 C ATOM 1167 CG1 VAL A 77 0.828 -2.439 -2.538 1.00 0.00 C ATOM 1168 CG2 VAL A 77 2.621 -0.833 -1.849 1.00 0.00 C ATOM 0 H VAL A 77 2.839 0.807 -3.675 1.00 0.00 H new ATOM 0 HA VAL A 77 2.604 -1.841 -4.481 1.00 0.00 H new ATOM 0 HB VAL A 77 0.715 -0.315 -2.646 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.495 -2.483 -1.501 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.027 -2.576 -3.200 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.557 -3.229 -2.719 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.262 -0.901 -0.822 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.399 -1.579 -2.011 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.029 0.162 -2.026 1.00 0.00 H new ATOM 1178 N SER A 78 0.033 0.070 -5.305 1.00 0.00 N ATOM 1179 CA SER A 78 -1.148 0.149 -6.157 1.00 0.00 C ATOM 1180 C SER A 78 -0.807 -0.199 -7.603 1.00 0.00 C ATOM 1181 O SER A 78 -1.653 -0.693 -8.349 1.00 0.00 O ATOM 1182 CB SER A 78 -1.757 1.552 -6.089 1.00 0.00 C ATOM 1183 OG SER A 78 -2.121 1.886 -4.761 1.00 0.00 O ATOM 0 H SER A 78 0.259 0.936 -4.816 1.00 0.00 H new ATOM 0 HA SER A 78 -1.875 -0.576 -5.792 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.041 2.281 -6.468 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.635 1.603 -6.734 1.00 0.00 H new ATOM 0 HG SER A 78 -1.321 2.147 -4.258 1.00 0.00 H new ATOM 1189 N ARG A 79 0.437 0.063 -7.994 1.00 0.00 N ATOM 1190 CA ARG A 79 0.887 -0.223 -9.351 1.00 0.00 C ATOM 1191 C ARG A 79 1.021 -1.725 -9.579 1.00 0.00 C ATOM 1192 O ARG A 79 0.832 -2.213 -10.694 1.00 0.00 O ATOM 1193 CB ARG A 79 2.226 0.467 -9.621 1.00 0.00 C ATOM 1194 CG ARG A 79 2.165 1.981 -9.501 1.00 0.00 C ATOM 1195 CD ARG A 79 2.179 2.655 -10.865 1.00 0.00 C ATOM 1196 NE ARG A 79 3.304 3.576 -11.009 1.00 0.00 N ATOM 1197 CZ ARG A 79 3.750 4.025 -12.181 1.00 0.00 C ATOM 1198 NH1 ARG A 79 3.170 3.641 -13.311 1.00 0.00 N ATOM 1199 NH2 ARG A 79 4.779 4.861 -12.222 1.00 0.00 N ATOM 0 H ARG A 79 1.150 0.472 -7.390 1.00 0.00 H new ATOM 0 HA ARG A 79 0.139 0.163 -10.043 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.970 0.085 -8.922 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.566 0.204 -10.623 1.00 0.00 H new ATOM 0 HG2 ARG A 79 1.261 2.267 -8.963 1.00 0.00 H new ATOM 0 HG3 ARG A 79 3.012 2.334 -8.912 1.00 0.00 H new ATOM 0 HD2 ARG A 79 2.231 1.895 -11.644 1.00 0.00 H new ATOM 0 HD3 ARG A 79 1.245 3.198 -11.011 1.00 0.00 H new ATOM 0 HE ARG A 79 3.776 3.894 -10.162 1.00 0.00 H new ATOM 0 HH11 ARG A 79 2.378 2.999 -13.285 1.00 0.00 H new ATOM 0 HH12 ARG A 79 3.516 3.988 -14.205 1.00 0.00 H new ATOM 0 HH21 ARG A 79 5.228 5.160 -11.356 1.00 0.00 H new ATOM 0 HH22 ARG A 79 5.121 5.205 -13.119 1.00 0.00 H new ATOM 1213 N SER A 80 1.351 -2.454 -8.518 1.00 0.00 N ATOM 1214 CA SER A 80 1.511 -3.902 -8.604 1.00 0.00 C ATOM 1215 C SER A 80 0.166 -4.609 -8.474 1.00 0.00 C ATOM 1216 O SER A 80 -0.074 -5.629 -9.119 1.00 0.00 O ATOM 1217 CB SER A 80 2.467 -4.396 -7.517 1.00 0.00 C ATOM 1218 OG SER A 80 2.088 -3.907 -6.243 1.00 0.00 O ATOM 0 H SER A 80 1.513 -2.066 -7.589 1.00 0.00 H new ATOM 0 HA SER A 80 1.930 -4.137 -9.582 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.475 -5.486 -7.504 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.482 -4.072 -7.747 1.00 0.00 H new ATOM 0 HG SER A 80 1.201 -3.495 -6.302 1.00 0.00 H new ATOM 1224 N LEU A 81 -0.707 -4.062 -7.635 1.00 0.00 N ATOM 1225 CA LEU A 81 -2.028 -4.642 -7.420 1.00 0.00 C ATOM 1226 C LEU A 81 -2.818 -4.702 -8.723 1.00 0.00 C ATOM 1227 O LEU A 81 -3.647 -5.590 -8.917 1.00 0.00 O ATOM 1228 CB LEU A 81 -2.800 -3.829 -6.379 1.00 0.00 C ATOM 1229 CG LEU A 81 -2.155 -3.772 -4.993 1.00 0.00 C ATOM 1230 CD1 LEU A 81 -2.790 -2.673 -4.154 1.00 0.00 C ATOM 1231 CD2 LEU A 81 -2.279 -5.118 -4.294 1.00 0.00 C ATOM 0 H LEU A 81 -0.524 -3.218 -7.093 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.894 -5.659 -7.052 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.918 -2.811 -6.750 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.800 -4.250 -6.280 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.096 -3.543 -5.114 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.319 -2.647 -3.171 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.651 -1.712 -4.648 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.856 -2.872 -4.040 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.815 -5.061 -3.309 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.332 -5.375 -4.185 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.778 -5.883 -4.887 1.00 0.00 H new ATOM 1243 N LEU A 82 -2.556 -3.750 -9.614 1.00 0.00 N ATOM 1244 CA LEU A 82 -3.244 -3.696 -10.898 1.00 0.00 C ATOM 1245 C LEU A 82 -2.800 -4.839 -11.806 1.00 0.00 C ATOM 1246 O LEU A 82 -3.620 -5.465 -12.478 1.00 0.00 O ATOM 1247 CB LEU A 82 -2.981 -2.354 -11.584 1.00 0.00 C ATOM 1248 CG LEU A 82 -3.757 -1.169 -11.007 1.00 0.00 C ATOM 1249 CD1 LEU A 82 -3.302 0.131 -11.653 1.00 0.00 C ATOM 1250 CD2 LEU A 82 -5.252 -1.368 -11.200 1.00 0.00 C ATOM 0 H LEU A 82 -1.873 -3.007 -9.470 1.00 0.00 H new ATOM 0 HA LEU A 82 -4.313 -3.800 -10.712 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.915 -2.135 -11.523 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.227 -2.449 -12.642 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.553 -1.110 -9.938 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.865 0.964 -11.231 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.239 0.279 -11.464 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.476 0.084 -12.728 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.789 -0.516 -10.784 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.473 -1.452 -12.264 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.567 -2.279 -10.691 1.00 0.00 H new ATOM 1262 N ALA A 83 -1.498 -5.105 -11.820 1.00 0.00 N ATOM 1263 CA ALA A 83 -0.947 -6.174 -12.646 1.00 0.00 C ATOM 1264 C ALA A 83 -1.550 -7.524 -12.274 1.00 0.00 C ATOM 1265 O ALA A 83 -1.896 -8.321 -13.146 1.00 0.00 O ATOM 1266 CB ALA A 83 0.568 -6.214 -12.510 1.00 0.00 C ATOM 0 H ALA A 83 -0.806 -4.596 -11.270 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.204 -5.967 -13.685 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.968 -7.016 -13.131 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.988 -5.261 -12.833 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.835 -6.394 -11.469 1.00 0.00 H new ATOM 1272 N MET A 84 -1.674 -7.775 -10.975 1.00 0.00 N ATOM 1273 CA MET A 84 -2.235 -9.030 -10.489 1.00 0.00 C ATOM 1274 C MET A 84 -3.764 -8.985 -10.462 1.00 0.00 C ATOM 1275 O MET A 84 -4.411 -9.960 -10.079 1.00 0.00 O ATOM 1276 CB MET A 84 -1.701 -9.342 -9.090 1.00 0.00 C ATOM 1277 CG MET A 84 -0.305 -9.944 -9.092 1.00 0.00 C ATOM 1278 SD MET A 84 -0.086 -11.196 -7.813 1.00 0.00 S ATOM 1279 CE MET A 84 -0.130 -10.182 -6.337 1.00 0.00 C ATOM 0 H MET A 84 -1.393 -7.126 -10.240 1.00 0.00 H new ATOM 0 HA MET A 84 -1.930 -9.818 -11.177 1.00 0.00 H new ATOM 0 HB2 MET A 84 -1.691 -8.425 -8.501 1.00 0.00 H new ATOM 0 HB3 MET A 84 -2.384 -10.032 -8.595 1.00 0.00 H new ATOM 0 HG2 MET A 84 -0.107 -10.388 -10.067 1.00 0.00 H new ATOM 0 HG3 MET A 84 0.429 -9.151 -8.948 1.00 0.00 H new ATOM 0 HE1 MET A 84 -0.007 -10.814 -5.458 1.00 0.00 H new ATOM 0 HE2 MET A 84 0.677 -9.451 -6.374 1.00 0.00 H new ATOM 0 HE3 MET A 84 -1.087 -9.664 -6.280 1.00 0.00 H new ATOM 1289 N ASN A 85 -4.336 -7.855 -10.870 1.00 0.00 N ATOM 1290 CA ASN A 85 -5.786 -7.698 -10.888 1.00 0.00 C ATOM 1291 C ASN A 85 -6.367 -7.854 -9.485 1.00 0.00 C ATOM 1292 O ASN A 85 -6.869 -8.919 -9.125 1.00 0.00 O ATOM 1293 CB ASN A 85 -6.417 -8.721 -11.835 1.00 0.00 C ATOM 1294 CG ASN A 85 -6.887 -8.095 -13.133 1.00 0.00 C ATOM 1295 OD1 ASN A 85 -8.076 -7.834 -13.316 1.00 0.00 O ATOM 1296 ND2 ASN A 85 -5.952 -7.851 -14.043 1.00 0.00 N ATOM 0 H ASN A 85 -3.818 -7.037 -11.192 1.00 0.00 H new ATOM 0 HA ASN A 85 -6.016 -6.694 -11.245 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -5.692 -9.504 -12.055 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -7.262 -9.199 -11.339 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -6.207 -7.431 -14.937 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -4.978 -8.084 -13.849 1.00 0.00 H new ATOM 1303 N LEU A 86 -6.296 -6.784 -8.699 1.00 0.00 N ATOM 1304 CA LEU A 86 -6.816 -6.802 -7.337 1.00 0.00 C ATOM 1305 C LEU A 86 -7.274 -5.409 -6.913 1.00 0.00 C ATOM 1306 O LEU A 86 -6.624 -4.750 -6.103 1.00 0.00 O ATOM 1307 CB LEU A 86 -5.750 -7.320 -6.369 1.00 0.00 C ATOM 1308 CG LEU A 86 -5.345 -8.780 -6.574 1.00 0.00 C ATOM 1309 CD1 LEU A 86 -4.123 -9.119 -5.733 1.00 0.00 C ATOM 1310 CD2 LEU A 86 -6.502 -9.708 -6.232 1.00 0.00 C ATOM 0 H LEU A 86 -5.884 -5.895 -8.982 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.676 -7.471 -7.310 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.861 -6.696 -6.463 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.117 -7.200 -5.350 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.089 -8.921 -7.624 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.850 -10.162 -5.892 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.291 -8.478 -6.024 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.351 -8.961 -4.679 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.195 -10.743 -6.384 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.789 -9.564 -5.190 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.352 -9.483 -6.877 1.00 0.00 H new ATOM 1322 N MET A 87 -8.399 -4.970 -7.467 1.00 0.00 N ATOM 1323 CA MET A 87 -8.948 -3.656 -7.148 1.00 0.00 C ATOM 1324 C MET A 87 -9.325 -3.560 -5.672 1.00 0.00 C ATOM 1325 O MET A 87 -9.437 -2.464 -5.122 1.00 0.00 O ATOM 1326 CB MET A 87 -10.174 -3.370 -8.019 1.00 0.00 C ATOM 1327 CG MET A 87 -9.940 -3.619 -9.499 1.00 0.00 C ATOM 1328 SD MET A 87 -10.808 -2.437 -10.548 1.00 0.00 S ATOM 1329 CE MET A 87 -10.174 -0.889 -9.909 1.00 0.00 C ATOM 0 H MET A 87 -8.949 -5.505 -8.139 1.00 0.00 H new ATOM 0 HA MET A 87 -8.179 -2.911 -7.353 1.00 0.00 H new ATOM 0 HB2 MET A 87 -11.003 -3.992 -7.681 1.00 0.00 H new ATOM 0 HB3 MET A 87 -10.476 -2.332 -7.877 1.00 0.00 H new ATOM 0 HG2 MET A 87 -8.871 -3.568 -9.708 1.00 0.00 H new ATOM 0 HG3 MET A 87 -10.265 -4.629 -9.750 1.00 0.00 H new ATOM 0 HE1 MET A 87 -10.123 -0.156 -10.715 1.00 0.00 H new ATOM 0 HE2 MET A 87 -10.836 -0.521 -9.125 1.00 0.00 H new ATOM 0 HE3 MET A 87 -9.177 -1.046 -9.498 1.00 0.00 H new ATOM 1339 N GLU A 88 -9.524 -4.710 -5.034 1.00 0.00 N ATOM 1340 CA GLU A 88 -9.891 -4.751 -3.622 1.00 0.00 C ATOM 1341 C GLU A 88 -8.903 -3.955 -2.774 1.00 0.00 C ATOM 1342 O GLU A 88 -9.293 -3.262 -1.835 1.00 0.00 O ATOM 1343 CB GLU A 88 -9.948 -6.199 -3.130 1.00 0.00 C ATOM 1344 CG GLU A 88 -8.630 -6.941 -3.272 1.00 0.00 C ATOM 1345 CD GLU A 88 -8.707 -8.367 -2.765 1.00 0.00 C ATOM 1346 OE1 GLU A 88 -9.744 -9.024 -2.992 1.00 0.00 O ATOM 1347 OE2 GLU A 88 -7.728 -8.829 -2.141 1.00 0.00 O ATOM 0 H GLU A 88 -9.437 -5.627 -5.473 1.00 0.00 H new ATOM 0 HA GLU A 88 -10.877 -4.297 -3.519 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.249 -6.207 -2.082 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.718 -6.733 -3.687 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -8.332 -6.948 -4.320 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -7.855 -6.406 -2.724 1.00 0.00 H new ATOM 1354 N LEU A 89 -7.621 -4.061 -3.111 1.00 0.00 N ATOM 1355 CA LEU A 89 -6.579 -3.350 -2.379 1.00 0.00 C ATOM 1356 C LEU A 89 -6.373 -1.950 -2.947 1.00 0.00 C ATOM 1357 O LEU A 89 -6.041 -1.015 -2.216 1.00 0.00 O ATOM 1358 CB LEU A 89 -5.266 -4.133 -2.432 1.00 0.00 C ATOM 1359 CG LEU A 89 -5.233 -5.402 -1.579 1.00 0.00 C ATOM 1360 CD1 LEU A 89 -4.016 -6.245 -1.924 1.00 0.00 C ATOM 1361 CD2 LEU A 89 -5.238 -5.050 -0.099 1.00 0.00 C ATOM 0 H LEU A 89 -7.280 -4.631 -3.885 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.898 -3.257 -1.341 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.065 -4.405 -3.468 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.457 -3.477 -2.111 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.127 -5.986 -1.796 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.009 -7.144 -1.307 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -4.055 -6.527 -2.976 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.110 -5.669 -1.736 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.214 -5.965 0.493 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.362 -4.444 0.134 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.141 -4.488 0.138 1.00 0.00 H new ATOM 1373 N VAL A 90 -6.571 -1.811 -4.253 1.00 0.00 N ATOM 1374 CA VAL A 90 -6.407 -0.523 -4.919 1.00 0.00 C ATOM 1375 C VAL A 90 -7.487 0.461 -4.482 1.00 0.00 C ATOM 1376 O VAL A 90 -7.217 1.645 -4.284 1.00 0.00 O ATOM 1377 CB VAL A 90 -6.451 -0.673 -6.451 1.00 0.00 C ATOM 1378 CG1 VAL A 90 -6.128 0.650 -7.129 1.00 0.00 C ATOM 1379 CG2 VAL A 90 -5.492 -1.761 -6.908 1.00 0.00 C ATOM 0 H VAL A 90 -6.845 -2.574 -4.872 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.430 -0.138 -4.629 1.00 0.00 H new ATOM 0 HB VAL A 90 -7.461 -0.965 -6.739 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -6.164 0.523 -8.211 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.858 1.401 -6.827 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.130 0.975 -6.835 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.537 -1.853 -7.993 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -4.477 -1.501 -6.607 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -5.774 -2.710 -6.452 1.00 0.00 H new ATOM 1389 N ASP A 91 -8.710 -0.037 -4.334 1.00 0.00 N ATOM 1390 CA ASP A 91 -9.831 0.799 -3.919 1.00 0.00 C ATOM 1391 C ASP A 91 -9.645 1.290 -2.486 1.00 0.00 C ATOM 1392 O ASP A 91 -10.147 2.350 -2.113 1.00 0.00 O ATOM 1393 CB ASP A 91 -11.144 0.022 -4.040 1.00 0.00 C ATOM 1394 CG ASP A 91 -11.951 0.437 -5.255 1.00 0.00 C ATOM 1395 OD1 ASP A 91 -11.484 0.198 -6.388 1.00 0.00 O ATOM 1396 OD2 ASP A 91 -13.051 1.001 -5.072 1.00 0.00 O ATOM 0 H ASP A 91 -8.950 -1.015 -4.495 1.00 0.00 H new ATOM 0 HA ASP A 91 -9.868 1.667 -4.577 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -10.928 -1.045 -4.098 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -11.740 0.178 -3.141 1.00 0.00 H new ATOM 1401 N TYR A 92 -8.921 0.512 -1.688 1.00 0.00 N ATOM 1402 CA TYR A 92 -8.670 0.868 -0.296 1.00 0.00 C ATOM 1403 C TYR A 92 -7.503 1.843 -0.183 1.00 0.00 C ATOM 1404 O TYR A 92 -7.498 2.724 0.677 1.00 0.00 O ATOM 1405 CB TYR A 92 -8.381 -0.389 0.527 1.00 0.00 C ATOM 1406 CG TYR A 92 -8.122 -0.112 1.992 1.00 0.00 C ATOM 1407 CD1 TYR A 92 -9.174 0.018 2.890 1.00 0.00 C ATOM 1408 CD2 TYR A 92 -6.826 0.020 2.474 1.00 0.00 C ATOM 1409 CE1 TYR A 92 -8.941 0.271 4.229 1.00 0.00 C ATOM 1410 CE2 TYR A 92 -6.586 0.273 3.812 1.00 0.00 C ATOM 1411 CZ TYR A 92 -7.646 0.397 4.684 1.00 0.00 C ATOM 1412 OH TYR A 92 -7.410 0.649 6.016 1.00 0.00 O ATOM 0 H TYR A 92 -8.498 -0.369 -1.981 1.00 0.00 H new ATOM 0 HA TYR A 92 -9.563 1.355 0.095 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -9.226 -1.072 0.440 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.515 -0.898 0.104 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.190 -0.080 2.537 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -5.993 -0.076 1.793 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.769 0.369 4.915 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -5.573 0.373 4.172 1.00 0.00 H new ATOM 0 HH TYR A 92 -7.840 1.492 6.271 1.00 0.00 H new ATOM 1422 N LEU A 93 -6.513 1.680 -1.056 1.00 0.00 N ATOM 1423 CA LEU A 93 -5.340 2.546 -1.052 1.00 0.00 C ATOM 1424 C LEU A 93 -5.648 3.888 -1.706 1.00 0.00 C ATOM 1425 O LEU A 93 -5.182 4.933 -1.252 1.00 0.00 O ATOM 1426 CB LEU A 93 -4.177 1.866 -1.778 1.00 0.00 C ATOM 1427 CG LEU A 93 -3.601 0.639 -1.068 1.00 0.00 C ATOM 1428 CD1 LEU A 93 -2.407 0.091 -1.837 1.00 0.00 C ATOM 1429 CD2 LEU A 93 -3.205 0.987 0.359 1.00 0.00 C ATOM 0 H LEU A 93 -6.500 0.956 -1.775 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.058 2.727 -0.015 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.513 1.568 -2.771 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.379 2.595 -1.917 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.370 -0.133 -1.032 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -2.009 -0.781 -1.318 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.721 -0.195 -2.841 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.634 0.857 -1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -2.797 0.103 0.849 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.452 1.775 0.346 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.082 1.333 0.906 1.00 0.00 H new ATOM 1441 N ASN A 94 -6.436 3.854 -2.776 1.00 0.00 N ATOM 1442 CA ASN A 94 -6.805 5.070 -3.493 1.00 0.00 C ATOM 1443 C ASN A 94 -7.524 6.051 -2.571 1.00 0.00 C ATOM 1444 O ASN A 94 -7.428 7.266 -2.746 1.00 0.00 O ATOM 1445 CB ASN A 94 -7.694 4.730 -4.693 1.00 0.00 C ATOM 1446 CG ASN A 94 -6.965 4.885 -6.013 1.00 0.00 C ATOM 1447 OD1 ASN A 94 -6.245 5.861 -6.227 1.00 0.00 O ATOM 1448 ND2 ASN A 94 -7.147 3.920 -6.907 1.00 0.00 N ATOM 0 H ASN A 94 -6.831 2.998 -3.166 1.00 0.00 H new ATOM 0 HA ASN A 94 -5.890 5.543 -3.850 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -8.053 3.705 -4.597 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -8.571 5.377 -4.687 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -6.681 3.970 -7.813 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -7.753 3.129 -6.688 1.00 0.00 H new ATOM 1455 N GLN A 95 -8.245 5.516 -1.591 1.00 0.00 N ATOM 1456 CA GLN A 95 -8.980 6.344 -0.643 1.00 0.00 C ATOM 1457 C GLN A 95 -8.045 6.923 0.416 1.00 0.00 C ATOM 1458 O GLN A 95 -8.292 8.005 0.949 1.00 0.00 O ATOM 1459 CB GLN A 95 -10.086 5.528 0.028 1.00 0.00 C ATOM 1460 CG GLN A 95 -11.112 4.975 -0.949 1.00 0.00 C ATOM 1461 CD GLN A 95 -12.013 3.932 -0.318 1.00 0.00 C ATOM 1462 OE1 GLN A 95 -12.167 3.883 0.902 1.00 0.00 O ATOM 1463 NE2 GLN A 95 -12.614 3.089 -1.150 1.00 0.00 N ATOM 0 H GLN A 95 -8.336 4.512 -1.433 1.00 0.00 H new ATOM 0 HA GLN A 95 -9.430 7.170 -1.194 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -9.635 4.700 0.575 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.595 6.154 0.761 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -11.722 5.793 -1.332 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -10.596 4.536 -1.803 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -12.458 3.166 -2.155 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -13.232 2.365 -0.784 1.00 0.00 H new ATOM 1472 N VAL A 96 -6.975 6.195 0.717 1.00 0.00 N ATOM 1473 CA VAL A 96 -6.006 6.636 1.714 1.00 0.00 C ATOM 1474 C VAL A 96 -5.099 7.727 1.155 1.00 0.00 C ATOM 1475 O VAL A 96 -4.756 8.680 1.854 1.00 0.00 O ATOM 1476 CB VAL A 96 -5.136 5.465 2.208 1.00 0.00 C ATOM 1477 CG1 VAL A 96 -4.276 5.900 3.386 1.00 0.00 C ATOM 1478 CG2 VAL A 96 -6.005 4.272 2.581 1.00 0.00 C ATOM 0 H VAL A 96 -6.757 5.297 0.285 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.576 7.035 2.553 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.474 5.160 1.398 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.668 5.060 3.722 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.626 6.719 3.079 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.918 6.233 4.202 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -5.372 3.455 2.928 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -6.695 4.558 3.375 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.571 3.947 1.708 1.00 0.00 H new