USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 423 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 15 SER OG : rot 82:sc= 0.124 USER MOD Set 1.2: A 18 GLN : amide:sc= 0.175 K(o=0.3,f=-3.3!) USER MOD Set 2.1: A 14 TYR OH : rot 180:sc= -0.032 USER MOD Set 2.2: A 50 GLN : amide:sc= -0.569 K(o=-0.6,f=-1.5) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -1.71 K(o=-1.7,f=-5.5!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.332 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -136:sc= -0.387 (180deg=-2.05!) USER MOD Single : A 39 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.015) USER MOD Single : A 41 SER OG : rot 61:sc= 0.597 USER MOD Single : A 44 THR OG1 : rot -57:sc= -1.49! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 96:sc= -0.295 USER MOD Single : A 56 GLN : amide:sc= -4.97! C(o=-5!,f=-9.7!) USER MOD Single : A 57 ASN : amide:sc= 0.028 X(o=0.028,f=0) USER MOD ----------------------------------------------------------------- ATOM 177 N PRO A 13 -9.037 0.728 5.756 1.00 0.00 N ATOM 178 CA PRO A 13 -8.607 2.115 5.952 1.00 0.00 C ATOM 179 C PRO A 13 -7.823 2.653 4.761 1.00 0.00 C ATOM 180 O PRO A 13 -7.757 2.015 3.709 1.00 0.00 O ATOM 181 CB PRO A 13 -7.712 2.038 7.191 1.00 0.00 C ATOM 182 CG PRO A 13 -7.169 0.651 7.181 1.00 0.00 C ATOM 183 CD PRO A 13 -8.159 -0.230 6.450 1.00 0.00 C ATOM 0 HA PRO A 13 -9.454 2.792 6.063 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -6.912 2.777 7.148 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.278 2.235 8.101 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.198 0.625 6.687 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -7.019 0.293 8.199 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -7.659 -0.896 5.747 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.720 -0.859 7.141 1.00 0.00 H new ATOM 191 N TYR A 14 -7.229 3.829 4.931 1.00 0.00 N ATOM 192 CA TYR A 14 -6.450 4.453 3.868 1.00 0.00 C ATOM 193 C TYR A 14 -7.342 4.836 2.692 1.00 0.00 C ATOM 194 O TYR A 14 -7.956 3.977 2.058 1.00 0.00 O ATOM 195 CB TYR A 14 -5.342 3.509 3.397 1.00 0.00 C ATOM 196 CG TYR A 14 -4.672 2.753 4.522 1.00 0.00 C ATOM 197 CD1 TYR A 14 -4.290 3.401 5.690 1.00 0.00 C ATOM 198 CD2 TYR A 14 -4.421 1.390 4.417 1.00 0.00 C ATOM 199 CE1 TYR A 14 -3.676 2.715 6.720 1.00 0.00 C ATOM 200 CE2 TYR A 14 -3.809 0.695 5.442 1.00 0.00 C ATOM 201 CZ TYR A 14 -3.438 1.362 6.591 1.00 0.00 C ATOM 202 OH TYR A 14 -2.828 0.674 7.616 1.00 0.00 O ATOM 0 H TYR A 14 -7.272 4.369 5.795 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.998 5.361 4.268 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -5.762 2.794 2.689 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -4.589 4.085 2.859 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.476 4.460 5.795 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.709 0.865 3.518 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.384 3.235 7.621 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.622 -0.364 5.344 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.735 -0.269 7.367 1.00 0.00 H new ATOM 212 N SER A 15 -7.408 6.132 2.404 1.00 0.00 N ATOM 213 CA SER A 15 -8.227 6.631 1.306 1.00 0.00 C ATOM 214 C SER A 15 -7.770 6.040 -0.024 1.00 0.00 C ATOM 215 O SER A 15 -6.758 5.341 -0.092 1.00 0.00 O ATOM 216 CB SER A 15 -8.164 8.158 1.247 1.00 0.00 C ATOM 217 OG SER A 15 -8.464 8.730 2.509 1.00 0.00 O ATOM 0 H SER A 15 -6.904 6.856 2.916 1.00 0.00 H new ATOM 0 HA SER A 15 -9.257 6.324 1.486 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.170 8.472 0.929 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.868 8.526 0.501 1.00 0.00 H new ATOM 0 HG SER A 15 -7.663 8.717 3.073 1.00 0.00 H new ATOM 223 N LYS A 16 -8.523 6.325 -1.081 1.00 0.00 N ATOM 224 CA LYS A 16 -8.197 5.825 -2.411 1.00 0.00 C ATOM 225 C LYS A 16 -6.774 6.209 -2.804 1.00 0.00 C ATOM 226 O LYS A 16 -5.961 5.352 -3.145 1.00 0.00 O ATOM 227 CB LYS A 16 -9.187 6.373 -3.442 1.00 0.00 C ATOM 228 CG LYS A 16 -10.602 5.848 -3.264 1.00 0.00 C ATOM 229 CD LYS A 16 -11.626 6.791 -3.874 1.00 0.00 C ATOM 230 CE LYS A 16 -13.015 6.171 -3.887 1.00 0.00 C ATOM 231 NZ LYS A 16 -13.876 6.762 -4.949 1.00 0.00 N ATOM 0 H LYS A 16 -9.364 6.900 -1.042 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.268 4.738 -2.390 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.201 7.461 -3.378 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.836 6.117 -4.442 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.688 4.866 -3.729 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.812 5.718 -2.202 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.647 7.722 -3.308 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.329 7.043 -4.892 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.931 5.096 -4.044 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -13.486 6.316 -2.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -14.814 6.313 -4.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.977 7.784 -4.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.439 6.602 -5.879 1.00 0.00 H new ATOM 245 N GLY A 17 -6.480 7.505 -2.751 1.00 0.00 N ATOM 246 CA GLY A 17 -5.155 7.980 -3.103 1.00 0.00 C ATOM 247 C GLY A 17 -4.059 7.250 -2.351 1.00 0.00 C ATOM 248 O GLY A 17 -2.961 7.059 -2.873 1.00 0.00 O ATOM 0 H GLY A 17 -7.136 8.234 -2.471 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.001 7.856 -4.175 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.087 9.047 -2.893 1.00 0.00 H new ATOM 252 N GLN A 18 -4.358 6.842 -1.122 1.00 0.00 N ATOM 253 CA GLN A 18 -3.388 6.131 -0.297 1.00 0.00 C ATOM 254 C GLN A 18 -3.261 4.677 -0.737 1.00 0.00 C ATOM 255 O GLN A 18 -2.156 4.171 -0.935 1.00 0.00 O ATOM 256 CB GLN A 18 -3.795 6.197 1.176 1.00 0.00 C ATOM 257 CG GLN A 18 -3.777 7.604 1.750 1.00 0.00 C ATOM 258 CD GLN A 18 -4.416 7.683 3.123 1.00 0.00 C ATOM 259 OE1 GLN A 18 -5.528 8.189 3.274 1.00 0.00 O ATOM 260 NE2 GLN A 18 -3.714 7.182 4.133 1.00 0.00 N ATOM 0 H GLN A 18 -5.263 6.991 -0.676 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.419 6.615 -0.421 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.797 5.781 1.286 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.123 5.567 1.759 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.746 7.954 1.813 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.301 8.276 1.070 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -2.796 6.772 3.962 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.093 7.207 5.080 1.00 0.00 H new ATOM 269 N LEU A 19 -4.399 4.009 -0.889 1.00 0.00 N ATOM 270 CA LEU A 19 -4.416 2.611 -1.306 1.00 0.00 C ATOM 271 C LEU A 19 -3.857 2.457 -2.717 1.00 0.00 C ATOM 272 O LEU A 19 -3.378 1.386 -3.092 1.00 0.00 O ATOM 273 CB LEU A 19 -5.841 2.057 -1.247 1.00 0.00 C ATOM 274 CG LEU A 19 -6.479 1.993 0.141 1.00 0.00 C ATOM 275 CD1 LEU A 19 -7.993 1.906 0.029 1.00 0.00 C ATOM 276 CD2 LEU A 19 -5.931 0.809 0.925 1.00 0.00 C ATOM 0 H LEU A 19 -5.322 4.413 -0.730 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.785 2.046 -0.621 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.475 2.670 -1.888 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.837 1.052 -1.670 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.227 2.907 0.679 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.430 1.861 1.027 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.370 2.785 -0.493 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.266 1.009 -0.527 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.396 0.779 1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.152 -0.115 0.391 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.852 0.914 1.036 1.00 0.00 H new ATOM 288 N ARG A 20 -3.918 3.534 -3.493 1.00 0.00 N ATOM 289 CA ARG A 20 -3.417 3.519 -4.862 1.00 0.00 C ATOM 290 C ARG A 20 -1.975 3.022 -4.908 1.00 0.00 C ATOM 291 O ARG A 20 -1.627 2.174 -5.728 1.00 0.00 O ATOM 292 CB ARG A 20 -3.506 4.917 -5.476 1.00 0.00 C ATOM 293 CG ARG A 20 -4.789 5.161 -6.253 1.00 0.00 C ATOM 294 CD ARG A 20 -4.652 6.343 -7.199 1.00 0.00 C ATOM 295 NE ARG A 20 -5.946 6.931 -7.533 1.00 0.00 N ATOM 296 CZ ARG A 20 -6.792 6.398 -8.408 1.00 0.00 C ATOM 297 NH1 ARG A 20 -6.480 5.272 -9.035 1.00 0.00 N ATOM 298 NH2 ARG A 20 -7.952 6.992 -8.658 1.00 0.00 N ATOM 0 H ARG A 20 -4.309 4.428 -3.197 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.037 2.835 -5.442 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.426 5.659 -4.682 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.655 5.068 -6.140 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.047 4.267 -6.821 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.608 5.344 -5.557 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.017 7.101 -6.741 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.154 6.020 -8.113 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.215 7.799 -7.069 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.589 4.813 -8.846 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.131 4.865 -9.706 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.195 7.859 -8.178 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.601 6.582 -9.330 1.00 0.00 H new ATOM 312 N GLU A 21 -1.142 3.558 -4.021 1.00 0.00 N ATOM 313 CA GLU A 21 0.263 3.170 -3.962 1.00 0.00 C ATOM 314 C GLU A 21 0.418 1.783 -3.345 1.00 0.00 C ATOM 315 O GLU A 21 1.249 0.986 -3.782 1.00 0.00 O ATOM 316 CB GLU A 21 1.064 4.192 -3.153 1.00 0.00 C ATOM 317 CG GLU A 21 1.045 5.589 -3.751 1.00 0.00 C ATOM 318 CD GLU A 21 1.375 5.595 -5.231 1.00 0.00 C ATOM 319 OE1 GLU A 21 0.463 5.333 -6.043 1.00 0.00 O ATOM 320 OE2 GLU A 21 2.545 5.863 -5.576 1.00 0.00 O ATOM 0 H GLU A 21 -1.415 4.261 -3.334 1.00 0.00 H new ATOM 0 HA GLU A 21 0.649 3.141 -4.981 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.665 4.234 -2.139 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.097 3.853 -3.075 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.060 6.031 -3.600 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.761 6.217 -3.220 1.00 0.00 H new ATOM 327 N LEU A 22 -0.386 1.502 -2.325 1.00 0.00 N ATOM 328 CA LEU A 22 -0.339 0.211 -1.647 1.00 0.00 C ATOM 329 C LEU A 22 -0.667 -0.924 -2.611 1.00 0.00 C ATOM 330 O LEU A 22 -0.087 -2.006 -2.530 1.00 0.00 O ATOM 331 CB LEU A 22 -1.317 0.195 -0.471 1.00 0.00 C ATOM 332 CG LEU A 22 -0.906 1.011 0.756 1.00 0.00 C ATOM 333 CD1 LEU A 22 -2.013 1.001 1.799 1.00 0.00 C ATOM 334 CD2 LEU A 22 0.389 0.471 1.345 1.00 0.00 C ATOM 0 H LEU A 22 -1.078 2.151 -1.949 1.00 0.00 H new ATOM 0 HA LEU A 22 0.674 0.062 -1.272 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.281 0.564 -0.821 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.465 -0.840 -0.161 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.738 2.042 0.444 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.703 1.586 2.665 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.918 1.434 1.373 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.213 -0.025 2.108 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.667 1.063 2.217 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.248 -0.568 1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.181 0.531 0.599 1.00 0.00 H new ATOM 346 N GLU A 23 -1.598 -0.667 -3.524 1.00 0.00 N ATOM 347 CA GLU A 23 -2.001 -1.668 -4.505 1.00 0.00 C ATOM 348 C GLU A 23 -1.035 -1.693 -5.686 1.00 0.00 C ATOM 349 O GLU A 23 -0.644 -2.759 -6.160 1.00 0.00 O ATOM 350 CB GLU A 23 -3.421 -1.387 -5.000 1.00 0.00 C ATOM 351 CG GLU A 23 -4.483 -1.546 -3.925 1.00 0.00 C ATOM 352 CD GLU A 23 -5.080 -2.940 -3.895 1.00 0.00 C ATOM 353 OE1 GLU A 23 -4.519 -3.838 -4.557 1.00 0.00 O ATOM 354 OE2 GLU A 23 -6.107 -3.132 -3.212 1.00 0.00 O ATOM 0 H GLU A 23 -2.087 0.225 -3.605 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.979 -2.644 -4.019 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.465 -0.372 -5.395 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.649 -2.061 -5.826 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.046 -1.321 -2.952 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.277 -0.819 -4.094 1.00 0.00 H new ATOM 361 N ARG A 24 -0.655 -0.509 -6.157 1.00 0.00 N ATOM 362 CA ARG A 24 0.263 -0.394 -7.283 1.00 0.00 C ATOM 363 C ARG A 24 1.585 -1.094 -6.981 1.00 0.00 C ATOM 364 O ARG A 24 2.062 -1.908 -7.771 1.00 0.00 O ATOM 365 CB ARG A 24 0.517 1.078 -7.613 1.00 0.00 C ATOM 366 CG ARG A 24 -0.445 1.646 -8.644 1.00 0.00 C ATOM 367 CD ARG A 24 0.207 2.744 -9.469 1.00 0.00 C ATOM 368 NE ARG A 24 -0.593 3.100 -10.637 1.00 0.00 N ATOM 369 CZ ARG A 24 -0.653 2.361 -11.740 1.00 0.00 C ATOM 370 NH1 ARG A 24 0.037 1.233 -11.824 1.00 0.00 N ATOM 371 NH2 ARG A 24 -1.404 2.752 -12.762 1.00 0.00 N ATOM 0 H ARG A 24 -0.969 0.383 -5.776 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.196 -0.879 -8.145 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.443 1.665 -6.697 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.537 1.188 -7.981 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.786 0.848 -9.303 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.327 2.043 -8.141 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.352 3.627 -8.847 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.195 2.416 -9.793 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.136 3.963 -10.605 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.616 0.930 -11.041 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.011 0.668 -12.672 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.936 3.620 -12.701 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.449 2.184 -13.608 1.00 0.00 H new ATOM 385 N GLU A 25 2.171 -0.769 -5.833 1.00 0.00 N ATOM 386 CA GLU A 25 3.439 -1.366 -5.427 1.00 0.00 C ATOM 387 C GLU A 25 3.301 -2.878 -5.266 1.00 0.00 C ATOM 388 O GLU A 25 4.111 -3.645 -5.788 1.00 0.00 O ATOM 389 CB GLU A 25 3.925 -0.744 -4.117 1.00 0.00 C ATOM 390 CG GLU A 25 4.799 0.483 -4.312 1.00 0.00 C ATOM 391 CD GLU A 25 4.265 1.414 -5.383 1.00 0.00 C ATOM 392 OE1 GLU A 25 4.543 1.169 -6.576 1.00 0.00 O ATOM 393 OE2 GLU A 25 3.568 2.388 -5.029 1.00 0.00 O ATOM 0 H GLU A 25 1.789 -0.097 -5.168 1.00 0.00 H new ATOM 0 HA GLU A 25 4.172 -1.167 -6.208 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.061 -0.471 -3.512 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.484 -1.492 -3.555 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.874 1.025 -3.369 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.807 0.168 -4.580 1.00 0.00 H new ATOM 400 N TYR A 26 2.271 -3.298 -4.540 1.00 0.00 N ATOM 401 CA TYR A 26 2.029 -4.716 -4.306 1.00 0.00 C ATOM 402 C TYR A 26 1.994 -5.487 -5.622 1.00 0.00 C ATOM 403 O TYR A 26 2.661 -6.510 -5.773 1.00 0.00 O ATOM 404 CB TYR A 26 0.712 -4.913 -3.553 1.00 0.00 C ATOM 405 CG TYR A 26 0.289 -6.360 -3.440 1.00 0.00 C ATOM 406 CD1 TYR A 26 1.000 -7.252 -2.646 1.00 0.00 C ATOM 407 CD2 TYR A 26 -0.821 -6.835 -4.126 1.00 0.00 C ATOM 408 CE1 TYR A 26 0.617 -8.575 -2.540 1.00 0.00 C ATOM 409 CE2 TYR A 26 -1.211 -8.157 -4.026 1.00 0.00 C ATOM 410 CZ TYR A 26 -0.489 -9.023 -3.232 1.00 0.00 C ATOM 411 OH TYR A 26 -0.874 -10.340 -3.128 1.00 0.00 O ATOM 0 H TYR A 26 1.590 -2.676 -4.103 1.00 0.00 H new ATOM 0 HA TYR A 26 2.848 -5.103 -3.700 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.809 -4.493 -2.552 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.074 -4.352 -4.059 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.867 -6.905 -2.103 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.389 -6.160 -4.748 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.181 -9.255 -1.919 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.077 -8.510 -4.567 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.672 -10.492 -3.677 1.00 0.00 H new ATOM 421 N ALA A 27 1.212 -4.987 -6.573 1.00 0.00 N ATOM 422 CA ALA A 27 1.092 -5.625 -7.878 1.00 0.00 C ATOM 423 C ALA A 27 2.457 -5.789 -8.537 1.00 0.00 C ATOM 424 O ALA A 27 2.670 -6.711 -9.324 1.00 0.00 O ATOM 425 CB ALA A 27 0.164 -4.820 -8.776 1.00 0.00 C ATOM 0 H ALA A 27 0.652 -4.142 -6.464 1.00 0.00 H new ATOM 0 HA ALA A 27 0.667 -6.618 -7.731 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.084 -5.308 -9.747 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.823 -4.759 -8.318 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.566 -3.815 -8.907 1.00 0.00 H new ATOM 431 N ALA A 28 3.379 -4.889 -8.210 1.00 0.00 N ATOM 432 CA ALA A 28 4.724 -4.936 -8.769 1.00 0.00 C ATOM 433 C ALA A 28 5.610 -5.900 -7.988 1.00 0.00 C ATOM 434 O ALA A 28 6.533 -6.496 -8.542 1.00 0.00 O ATOM 435 CB ALA A 28 5.339 -3.544 -8.782 1.00 0.00 C ATOM 0 H ALA A 28 3.219 -4.119 -7.561 1.00 0.00 H new ATOM 0 HA ALA A 28 4.652 -5.299 -9.794 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.344 -3.594 -9.202 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.724 -2.880 -9.390 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.390 -3.159 -7.763 1.00 0.00 H new ATOM 441 N ASN A 29 5.323 -6.049 -6.699 1.00 0.00 N ATOM 442 CA ASN A 29 6.095 -6.941 -5.842 1.00 0.00 C ATOM 443 C ASN A 29 5.421 -7.108 -4.484 1.00 0.00 C ATOM 444 O ASN A 29 5.260 -6.144 -3.735 1.00 0.00 O ATOM 445 CB ASN A 29 7.515 -6.401 -5.656 1.00 0.00 C ATOM 446 CG ASN A 29 7.529 -4.991 -5.097 1.00 0.00 C ATOM 447 OD1 ASN A 29 7.738 -4.787 -3.901 1.00 0.00 O ATOM 448 ND2 ASN A 29 7.305 -4.009 -5.963 1.00 0.00 N ATOM 0 H ASN A 29 4.561 -5.563 -6.225 1.00 0.00 H new ATOM 0 HA ASN A 29 6.145 -7.916 -6.326 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.067 -7.060 -4.986 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.034 -6.414 -6.614 1.00 0.00 H new ATOM 0 HD21 ASN A 29 7.302 -3.040 -5.645 1.00 0.00 H new ATOM 0 HD22 ASN A 29 7.136 -4.224 -6.946 1.00 0.00 H new ATOM 455 N LYS A 30 5.030 -8.339 -4.171 1.00 0.00 N ATOM 456 CA LYS A 30 4.375 -8.635 -2.903 1.00 0.00 C ATOM 457 C LYS A 30 5.257 -8.228 -1.727 1.00 0.00 C ATOM 458 O LYS A 30 4.765 -7.987 -0.624 1.00 0.00 O ATOM 459 CB LYS A 30 4.044 -10.127 -2.813 1.00 0.00 C ATOM 460 CG LYS A 30 5.204 -11.031 -3.189 1.00 0.00 C ATOM 461 CD LYS A 30 4.990 -12.451 -2.690 1.00 0.00 C ATOM 462 CE LYS A 30 5.465 -13.477 -3.707 1.00 0.00 C ATOM 463 NZ LYS A 30 5.485 -14.853 -3.139 1.00 0.00 N ATOM 0 H LYS A 30 5.156 -9.148 -4.779 1.00 0.00 H new ATOM 0 HA LYS A 30 3.450 -8.060 -2.857 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.728 -10.360 -1.796 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.199 -10.343 -3.467 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.323 -11.039 -4.272 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.128 -10.632 -2.770 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.526 -12.593 -1.751 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.932 -12.608 -2.480 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.811 -13.454 -4.579 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.465 -13.212 -4.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.814 -15.523 -3.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.128 -14.882 -2.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.526 -15.117 -2.834 1.00 0.00 H new ATOM 477 N PHE A 31 6.561 -8.150 -1.970 1.00 0.00 N ATOM 478 CA PHE A 31 7.511 -7.770 -0.931 1.00 0.00 C ATOM 479 C PHE A 31 8.339 -6.565 -1.365 1.00 0.00 C ATOM 480 O PHE A 31 9.164 -6.660 -2.275 1.00 0.00 O ATOM 481 CB PHE A 31 8.434 -8.945 -0.600 1.00 0.00 C ATOM 482 CG PHE A 31 7.861 -9.889 0.417 1.00 0.00 C ATOM 483 CD1 PHE A 31 7.922 -9.592 1.769 1.00 0.00 C ATOM 484 CD2 PHE A 31 7.261 -11.074 0.022 1.00 0.00 C ATOM 485 CE1 PHE A 31 7.397 -10.460 2.708 1.00 0.00 C ATOM 486 CE2 PHE A 31 6.733 -11.946 0.956 1.00 0.00 C ATOM 487 CZ PHE A 31 6.800 -11.637 2.301 1.00 0.00 C ATOM 0 H PHE A 31 6.984 -8.345 -2.877 1.00 0.00 H new ATOM 0 HA PHE A 31 6.946 -7.498 -0.039 1.00 0.00 H new ATOM 0 HB2 PHE A 31 8.649 -9.497 -1.515 1.00 0.00 H new ATOM 0 HB3 PHE A 31 9.383 -8.558 -0.230 1.00 0.00 H new ATOM 0 HD1 PHE A 31 8.385 -8.672 2.093 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.205 -11.319 -1.028 1.00 0.00 H new ATOM 0 HE1 PHE A 31 7.454 -10.218 3.759 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.269 -12.867 0.635 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.386 -12.315 3.033 1.00 0.00 H new ATOM 497 N ILE A 32 8.113 -5.432 -0.709 1.00 0.00 N ATOM 498 CA ILE A 32 8.838 -4.208 -1.027 1.00 0.00 C ATOM 499 C ILE A 32 10.165 -4.145 -0.278 1.00 0.00 C ATOM 500 O ILE A 32 10.428 -4.954 0.612 1.00 0.00 O ATOM 501 CB ILE A 32 8.008 -2.957 -0.684 1.00 0.00 C ATOM 502 CG1 ILE A 32 7.824 -2.839 0.831 1.00 0.00 C ATOM 503 CG2 ILE A 32 6.658 -3.008 -1.384 1.00 0.00 C ATOM 504 CD1 ILE A 32 7.039 -1.617 1.251 1.00 0.00 C ATOM 0 H ILE A 32 7.434 -5.336 0.046 1.00 0.00 H new ATOM 0 HA ILE A 32 9.029 -4.224 -2.100 1.00 0.00 H new ATOM 0 HB ILE A 32 8.545 -2.076 -1.036 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.316 -3.731 1.198 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.804 -2.812 1.307 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.083 -2.117 -1.131 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.809 -3.049 -2.463 1.00 0.00 H new ATOM 0 HG23 ILE A 32 6.113 -3.895 -1.060 1.00 0.00 H new ATOM 0 HD11 ILE A 32 6.948 -1.599 2.337 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.557 -0.719 0.915 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.045 -1.652 0.804 1.00 0.00 H new ATOM 516 N THR A 33 10.999 -3.176 -0.643 1.00 0.00 N ATOM 517 CA THR A 33 12.298 -3.006 -0.006 1.00 0.00 C ATOM 518 C THR A 33 12.280 -1.841 0.978 1.00 0.00 C ATOM 519 O THR A 33 11.383 -0.999 0.943 1.00 0.00 O ATOM 520 CB THR A 33 13.408 -2.766 -1.047 1.00 0.00 C ATOM 521 OG1 THR A 33 14.647 -2.485 -0.387 1.00 0.00 O ATOM 522 CG2 THR A 33 13.044 -1.611 -1.968 1.00 0.00 C ATOM 0 H THR A 33 10.797 -2.497 -1.377 1.00 0.00 H new ATOM 0 HA THR A 33 12.509 -3.930 0.532 1.00 0.00 H new ATOM 0 HB THR A 33 13.515 -3.669 -1.647 1.00 0.00 H new ATOM 0 HG1 THR A 33 15.347 -2.335 -1.056 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.842 -1.460 -2.695 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.116 -1.841 -2.491 1.00 0.00 H new ATOM 0 HG23 THR A 33 12.913 -0.703 -1.379 1.00 0.00 H new ATOM 530 N LYS A 34 13.277 -1.799 1.855 1.00 0.00 N ATOM 531 CA LYS A 34 13.378 -0.736 2.848 1.00 0.00 C ATOM 532 C LYS A 34 13.403 0.634 2.179 1.00 0.00 C ATOM 533 O LYS A 34 13.045 1.641 2.790 1.00 0.00 O ATOM 534 CB LYS A 34 14.637 -0.923 3.699 1.00 0.00 C ATOM 535 CG LYS A 34 14.361 -1.512 5.072 1.00 0.00 C ATOM 536 CD LYS A 34 15.633 -1.631 5.893 1.00 0.00 C ATOM 537 CE LYS A 34 15.327 -1.782 7.376 1.00 0.00 C ATOM 538 NZ LYS A 34 14.656 -3.078 7.674 1.00 0.00 N ATOM 0 H LYS A 34 14.027 -2.489 1.898 1.00 0.00 H new ATOM 0 HA LYS A 34 12.500 -0.790 3.492 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.332 -1.573 3.167 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.131 0.041 3.819 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.643 -0.885 5.600 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.904 -2.496 4.962 1.00 0.00 H new ATOM 0 HD2 LYS A 34 16.210 -2.490 5.550 1.00 0.00 H new ATOM 0 HD3 LYS A 34 16.253 -0.748 5.736 1.00 0.00 H new ATOM 0 HE2 LYS A 34 16.253 -1.713 7.947 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.690 -0.960 7.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.464 -3.143 8.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.760 -3.134 7.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.275 -3.863 7.387 1.00 0.00 H new ATOM 552 N ASP A 35 13.827 0.665 0.920 1.00 0.00 N ATOM 553 CA ASP A 35 13.896 1.911 0.166 1.00 0.00 C ATOM 554 C ASP A 35 12.539 2.255 -0.441 1.00 0.00 C ATOM 555 O ASP A 35 12.264 3.412 -0.758 1.00 0.00 O ATOM 556 CB ASP A 35 14.951 1.808 -0.936 1.00 0.00 C ATOM 557 CG ASP A 35 16.327 2.233 -0.463 1.00 0.00 C ATOM 558 OD1 ASP A 35 16.733 1.806 0.638 1.00 0.00 O ATOM 559 OD2 ASP A 35 16.997 2.993 -1.193 1.00 0.00 O ATOM 0 H ASP A 35 14.128 -0.159 0.400 1.00 0.00 H new ATOM 0 HA ASP A 35 14.178 2.708 0.854 1.00 0.00 H new ATOM 0 HB2 ASP A 35 14.996 0.780 -1.297 1.00 0.00 H new ATOM 0 HB3 ASP A 35 14.652 2.430 -1.780 1.00 0.00 H new ATOM 564 N LYS A 36 11.695 1.241 -0.602 1.00 0.00 N ATOM 565 CA LYS A 36 10.367 1.435 -1.172 1.00 0.00 C ATOM 566 C LYS A 36 9.341 1.710 -0.077 1.00 0.00 C ATOM 567 O LYS A 36 8.404 2.485 -0.272 1.00 0.00 O ATOM 568 CB LYS A 36 9.951 0.202 -1.977 1.00 0.00 C ATOM 569 CG LYS A 36 8.523 0.265 -2.492 1.00 0.00 C ATOM 570 CD LYS A 36 8.342 1.389 -3.499 1.00 0.00 C ATOM 571 CE LYS A 36 8.788 0.967 -4.890 1.00 0.00 C ATOM 572 NZ LYS A 36 10.255 1.138 -5.079 1.00 0.00 N ATOM 0 H LYS A 36 11.907 0.277 -0.346 1.00 0.00 H new ATOM 0 HA LYS A 36 10.405 2.299 -1.836 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.629 0.085 -2.823 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.064 -0.684 -1.353 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.260 -0.686 -2.956 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.840 0.411 -1.655 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.294 1.689 -3.527 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.915 2.260 -3.181 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.520 -0.076 -5.056 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.255 1.556 -5.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.437 1.569 -6.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.632 1.755 -4.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.722 0.210 -5.030 1.00 0.00 H new ATOM 586 N ARG A 37 9.524 1.072 1.074 1.00 0.00 N ATOM 587 CA ARG A 37 8.614 1.249 2.199 1.00 0.00 C ATOM 588 C ARG A 37 8.711 2.665 2.759 1.00 0.00 C ATOM 589 O ARG A 37 7.730 3.213 3.262 1.00 0.00 O ATOM 590 CB ARG A 37 8.925 0.232 3.299 1.00 0.00 C ATOM 591 CG ARG A 37 7.929 0.252 4.446 1.00 0.00 C ATOM 592 CD ARG A 37 7.745 -1.132 5.049 1.00 0.00 C ATOM 593 NE ARG A 37 9.022 -1.793 5.303 1.00 0.00 N ATOM 594 CZ ARG A 37 9.776 -1.552 6.370 1.00 0.00 C ATOM 595 NH1 ARG A 37 9.381 -0.670 7.278 1.00 0.00 N ATOM 596 NH2 ARG A 37 10.926 -2.193 6.530 1.00 0.00 N ATOM 0 H ARG A 37 10.294 0.428 1.252 1.00 0.00 H new ATOM 0 HA ARG A 37 7.597 1.087 1.841 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.945 -0.767 2.863 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.923 0.428 3.692 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.273 0.943 5.216 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.969 0.625 4.089 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.188 -1.050 5.982 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.148 -1.745 4.374 1.00 0.00 H new ATOM 0 HE ARG A 37 9.354 -2.478 4.624 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.497 -0.175 7.158 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.961 -0.486 8.097 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.233 -2.872 5.833 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.504 -2.007 7.350 1.00 0.00 H new ATOM 610 N ARG A 38 9.901 3.251 2.669 1.00 0.00 N ATOM 611 CA ARG A 38 10.126 4.602 3.168 1.00 0.00 C ATOM 612 C ARG A 38 9.431 5.632 2.282 1.00 0.00 C ATOM 613 O ARG A 38 8.831 6.588 2.776 1.00 0.00 O ATOM 614 CB ARG A 38 11.625 4.901 3.235 1.00 0.00 C ATOM 615 CG ARG A 38 12.334 4.762 1.898 1.00 0.00 C ATOM 616 CD ARG A 38 13.833 4.973 2.038 1.00 0.00 C ATOM 617 NE ARG A 38 14.480 5.179 0.745 1.00 0.00 N ATOM 618 CZ ARG A 38 14.424 6.321 0.069 1.00 0.00 C ATOM 619 NH1 ARG A 38 13.755 7.354 0.561 1.00 0.00 N ATOM 620 NH2 ARG A 38 15.039 6.431 -1.102 1.00 0.00 N ATOM 0 H ARG A 38 10.723 2.811 2.255 1.00 0.00 H new ATOM 0 HA ARG A 38 9.704 4.666 4.171 1.00 0.00 H new ATOM 0 HB2 ARG A 38 11.768 5.915 3.609 1.00 0.00 H new ATOM 0 HB3 ARG A 38 12.090 4.227 3.955 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.142 3.772 1.484 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.928 5.487 1.192 1.00 0.00 H new ATOM 0 HD2 ARG A 38 14.019 5.835 2.678 1.00 0.00 H new ATOM 0 HD3 ARG A 38 14.276 4.108 2.531 1.00 0.00 H new ATOM 0 HE ARG A 38 15.004 4.404 0.339 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.282 7.273 1.461 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.714 8.230 0.040 1.00 0.00 H new ATOM 0 HH21 ARG A 38 15.555 5.638 -1.483 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.995 7.308 -1.620 1.00 0.00 H new ATOM 634 N LYS A 39 9.515 5.431 0.972 1.00 0.00 N ATOM 635 CA LYS A 39 8.895 6.341 0.016 1.00 0.00 C ATOM 636 C LYS A 39 7.376 6.331 0.163 1.00 0.00 C ATOM 637 O LYS A 39 6.753 7.380 0.326 1.00 0.00 O ATOM 638 CB LYS A 39 9.282 5.953 -1.413 1.00 0.00 C ATOM 639 CG LYS A 39 10.782 5.932 -1.652 1.00 0.00 C ATOM 640 CD LYS A 39 11.305 7.305 -2.039 1.00 0.00 C ATOM 641 CE LYS A 39 11.093 7.586 -3.518 1.00 0.00 C ATOM 642 NZ LYS A 39 12.086 6.870 -4.366 1.00 0.00 N ATOM 0 H LYS A 39 10.007 4.645 0.547 1.00 0.00 H new ATOM 0 HA LYS A 39 9.256 7.348 0.223 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.873 4.968 -1.636 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.821 6.655 -2.109 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.290 5.589 -0.751 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.016 5.217 -2.441 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.800 8.068 -1.447 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.367 7.370 -1.804 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.086 7.284 -3.804 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.167 8.658 -3.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.996 7.191 -5.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.046 7.072 -4.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.910 5.846 -4.318 1.00 0.00 H new ATOM 656 N ILE A 40 6.789 5.141 0.105 1.00 0.00 N ATOM 657 CA ILE A 40 5.344 4.996 0.235 1.00 0.00 C ATOM 658 C ILE A 40 4.830 5.708 1.481 1.00 0.00 C ATOM 659 O ILE A 40 3.727 6.255 1.485 1.00 0.00 O ATOM 660 CB ILE A 40 4.930 3.514 0.296 1.00 0.00 C ATOM 661 CG1 ILE A 40 5.401 2.778 -0.960 1.00 0.00 C ATOM 662 CG2 ILE A 40 3.422 3.391 0.455 1.00 0.00 C ATOM 663 CD1 ILE A 40 5.433 1.273 -0.802 1.00 0.00 C ATOM 0 H ILE A 40 7.291 4.264 -0.031 1.00 0.00 H new ATOM 0 HA ILE A 40 4.900 5.452 -0.650 1.00 0.00 H new ATOM 0 HB ILE A 40 5.405 3.055 1.163 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.743 3.034 -1.790 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.399 3.129 -1.224 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.145 2.338 0.497 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.112 3.884 1.376 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.927 3.863 -0.394 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.776 0.817 -1.731 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.114 1.006 0.006 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.432 0.910 -0.568 1.00 0.00 H new ATOM 675 N SER A 41 5.637 5.698 2.538 1.00 0.00 N ATOM 676 CA SER A 41 5.262 6.341 3.792 1.00 0.00 C ATOM 677 C SER A 41 5.088 7.844 3.600 1.00 0.00 C ATOM 678 O SER A 41 4.228 8.465 4.224 1.00 0.00 O ATOM 679 CB SER A 41 6.320 6.071 4.863 1.00 0.00 C ATOM 680 OG SER A 41 6.397 7.144 5.785 1.00 0.00 O ATOM 0 H SER A 41 6.554 5.252 2.551 1.00 0.00 H new ATOM 0 HA SER A 41 4.310 5.921 4.118 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.079 5.149 5.392 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.291 5.923 4.390 1.00 0.00 H new ATOM 0 HG SER A 41 5.534 7.248 6.238 1.00 0.00 H new ATOM 686 N ALA A 42 5.911 8.423 2.732 1.00 0.00 N ATOM 687 CA ALA A 42 5.848 9.853 2.456 1.00 0.00 C ATOM 688 C ALA A 42 4.881 10.149 1.314 1.00 0.00 C ATOM 689 O ALA A 42 4.349 11.254 1.210 1.00 0.00 O ATOM 690 CB ALA A 42 7.234 10.389 2.129 1.00 0.00 C ATOM 0 H ALA A 42 6.629 7.924 2.208 1.00 0.00 H new ATOM 0 HA ALA A 42 5.478 10.355 3.350 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.172 11.458 1.925 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.899 10.219 2.976 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.625 9.874 1.251 1.00 0.00 H new ATOM 696 N ALA A 43 4.660 9.156 0.460 1.00 0.00 N ATOM 697 CA ALA A 43 3.756 9.310 -0.674 1.00 0.00 C ATOM 698 C ALA A 43 2.301 9.315 -0.218 1.00 0.00 C ATOM 699 O ALA A 43 1.527 10.201 -0.585 1.00 0.00 O ATOM 700 CB ALA A 43 3.990 8.202 -1.690 1.00 0.00 C ATOM 0 H ALA A 43 5.094 8.236 0.531 1.00 0.00 H new ATOM 0 HA ALA A 43 3.965 10.270 -1.146 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.308 8.330 -2.531 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.019 8.247 -2.047 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.811 7.235 -1.221 1.00 0.00 H new ATOM 706 N THR A 44 1.932 8.320 0.582 1.00 0.00 N ATOM 707 CA THR A 44 0.569 8.209 1.086 1.00 0.00 C ATOM 708 C THR A 44 0.475 8.692 2.528 1.00 0.00 C ATOM 709 O THR A 44 -0.522 8.451 3.210 1.00 0.00 O ATOM 710 CB THR A 44 0.058 6.757 1.008 1.00 0.00 C ATOM 711 OG1 THR A 44 0.801 5.928 1.909 1.00 0.00 O ATOM 712 CG2 THR A 44 0.182 6.215 -0.408 1.00 0.00 C ATOM 0 H THR A 44 2.559 7.579 0.895 1.00 0.00 H new ATOM 0 HA THR A 44 -0.055 8.841 0.453 1.00 0.00 H new ATOM 0 HB THR A 44 -0.994 6.749 1.292 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.756 5.990 1.698 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.185 5.189 -0.438 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.408 6.831 -1.086 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.228 6.236 -0.715 1.00 0.00 H new ATOM 720 N SER A 45 1.518 9.376 2.988 1.00 0.00 N ATOM 721 CA SER A 45 1.553 9.891 4.351 1.00 0.00 C ATOM 722 C SER A 45 1.237 8.788 5.357 1.00 0.00 C ATOM 723 O SER A 45 0.680 9.047 6.425 1.00 0.00 O ATOM 724 CB SER A 45 0.558 11.043 4.510 1.00 0.00 C ATOM 725 OG SER A 45 0.455 11.796 3.314 1.00 0.00 O ATOM 0 H SER A 45 2.350 9.586 2.436 1.00 0.00 H new ATOM 0 HA SER A 45 2.559 10.260 4.547 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.421 10.647 4.780 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.876 11.692 5.326 1.00 0.00 H new ATOM 0 HG SER A 45 -0.188 12.525 3.441 1.00 0.00 H new ATOM 731 N LEU A 46 1.595 7.558 5.008 1.00 0.00 N ATOM 732 CA LEU A 46 1.350 6.414 5.879 1.00 0.00 C ATOM 733 C LEU A 46 2.593 6.075 6.696 1.00 0.00 C ATOM 734 O LEU A 46 3.682 6.584 6.428 1.00 0.00 O ATOM 735 CB LEU A 46 0.924 5.200 5.052 1.00 0.00 C ATOM 736 CG LEU A 46 -0.499 5.236 4.492 1.00 0.00 C ATOM 737 CD1 LEU A 46 -0.725 4.076 3.535 1.00 0.00 C ATOM 738 CD2 LEU A 46 -1.518 5.205 5.621 1.00 0.00 C ATOM 0 H LEU A 46 2.056 7.327 4.128 1.00 0.00 H new ATOM 0 HA LEU A 46 0.546 6.678 6.566 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.618 5.091 4.219 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.027 4.309 5.671 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.628 6.167 3.939 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.743 4.118 3.147 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.018 4.143 2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.577 3.134 4.063 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.525 5.231 5.203 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.390 4.292 6.202 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.371 6.070 6.268 1.00 0.00 H new ATOM 750 N SER A 47 2.424 5.211 7.692 1.00 0.00 N ATOM 751 CA SER A 47 3.532 4.805 8.549 1.00 0.00 C ATOM 752 C SER A 47 4.235 3.575 7.982 1.00 0.00 C ATOM 753 O SER A 47 3.621 2.758 7.296 1.00 0.00 O ATOM 754 CB SER A 47 3.029 4.512 9.963 1.00 0.00 C ATOM 755 OG SER A 47 3.118 5.663 10.785 1.00 0.00 O ATOM 0 H SER A 47 1.530 4.779 7.925 1.00 0.00 H new ATOM 0 HA SER A 47 4.248 5.626 8.588 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.995 4.171 9.921 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.614 3.703 10.400 1.00 0.00 H new ATOM 0 HG SER A 47 2.789 5.450 11.683 1.00 0.00 H new ATOM 761 N GLU A 48 5.526 3.452 8.274 1.00 0.00 N ATOM 762 CA GLU A 48 6.313 2.323 7.792 1.00 0.00 C ATOM 763 C GLU A 48 5.671 1.000 8.199 1.00 0.00 C ATOM 764 O GLU A 48 5.849 -0.020 7.532 1.00 0.00 O ATOM 765 CB GLU A 48 7.741 2.399 8.337 1.00 0.00 C ATOM 766 CG GLU A 48 8.422 3.732 8.077 1.00 0.00 C ATOM 767 CD GLU A 48 9.854 3.762 8.575 1.00 0.00 C ATOM 768 OE1 GLU A 48 10.179 2.979 9.492 1.00 0.00 O ATOM 769 OE2 GLU A 48 10.648 4.569 8.049 1.00 0.00 O ATOM 0 H GLU A 48 6.049 4.119 8.841 1.00 0.00 H new ATOM 0 HA GLU A 48 6.344 2.372 6.704 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.721 2.214 9.411 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.335 1.603 7.888 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.409 3.940 7.007 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.855 4.526 8.563 1.00 0.00 H new ATOM 776 N ARG A 49 4.924 1.024 9.298 1.00 0.00 N ATOM 777 CA ARG A 49 4.257 -0.173 9.795 1.00 0.00 C ATOM 778 C ARG A 49 2.946 -0.413 9.051 1.00 0.00 C ATOM 779 O ARG A 49 2.681 -1.520 8.583 1.00 0.00 O ATOM 780 CB ARG A 49 3.989 -0.048 11.295 1.00 0.00 C ATOM 781 CG ARG A 49 3.551 -1.349 11.947 1.00 0.00 C ATOM 782 CD ARG A 49 4.710 -2.326 12.073 1.00 0.00 C ATOM 783 NE ARG A 49 5.701 -1.878 13.047 1.00 0.00 N ATOM 784 CZ ARG A 49 6.889 -2.451 13.204 1.00 0.00 C ATOM 785 NH1 ARG A 49 7.232 -3.489 12.454 1.00 0.00 N ATOM 786 NH2 ARG A 49 7.736 -1.986 14.112 1.00 0.00 N ATOM 0 H ARG A 49 4.766 1.860 9.861 1.00 0.00 H new ATOM 0 HA ARG A 49 4.915 -1.024 9.621 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.893 0.309 11.788 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.219 0.706 11.456 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.139 -1.142 12.935 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.754 -1.802 11.358 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.329 -3.304 12.367 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.187 -2.449 11.101 1.00 0.00 H new ATOM 0 HE ARG A 49 5.468 -1.081 13.640 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.583 -3.849 11.754 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.145 -3.927 12.577 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.476 -1.188 14.691 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.648 -2.427 14.232 1.00 0.00 H new ATOM 800 N GLN A 50 2.130 0.631 8.949 1.00 0.00 N ATOM 801 CA GLN A 50 0.847 0.533 8.264 1.00 0.00 C ATOM 802 C GLN A 50 1.018 -0.061 6.870 1.00 0.00 C ATOM 803 O GLN A 50 0.332 -1.017 6.503 1.00 0.00 O ATOM 804 CB GLN A 50 0.189 1.911 8.167 1.00 0.00 C ATOM 805 CG GLN A 50 -0.348 2.423 9.493 1.00 0.00 C ATOM 806 CD GLN A 50 -1.474 3.424 9.319 1.00 0.00 C ATOM 807 OE1 GLN A 50 -1.350 4.390 8.566 1.00 0.00 O ATOM 808 NE2 GLN A 50 -2.580 3.197 10.017 1.00 0.00 N ATOM 0 H GLN A 50 2.335 1.554 9.332 1.00 0.00 H new ATOM 0 HA GLN A 50 0.204 -0.128 8.845 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.916 2.625 7.779 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.628 1.864 7.447 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.704 1.581 10.086 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.463 2.888 10.054 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.639 2.383 10.629 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.371 3.836 9.941 1.00 0.00 H new ATOM 817 N ILE A 51 1.935 0.510 6.097 1.00 0.00 N ATOM 818 CA ILE A 51 2.196 0.036 4.743 1.00 0.00 C ATOM 819 C ILE A 51 2.509 -1.456 4.734 1.00 0.00 C ATOM 820 O ILE A 51 2.097 -2.184 3.830 1.00 0.00 O ATOM 821 CB ILE A 51 3.366 0.799 4.095 1.00 0.00 C ATOM 822 CG1 ILE A 51 3.064 2.298 4.051 1.00 0.00 C ATOM 823 CG2 ILE A 51 3.637 0.266 2.696 1.00 0.00 C ATOM 824 CD1 ILE A 51 4.280 3.152 3.766 1.00 0.00 C ATOM 0 H ILE A 51 2.510 1.302 6.385 1.00 0.00 H new ATOM 0 HA ILE A 51 1.290 0.218 4.165 1.00 0.00 H new ATOM 0 HB ILE A 51 4.260 0.645 4.700 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.311 2.486 3.286 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.632 2.602 5.005 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.467 0.816 2.252 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.892 -0.792 2.753 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.747 0.392 2.080 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.991 4.203 3.750 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.027 2.993 4.544 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.700 2.876 2.799 1.00 0.00 H new ATOM 836 N THR A 52 3.241 -1.908 5.749 1.00 0.00 N ATOM 837 CA THR A 52 3.609 -3.314 5.859 1.00 0.00 C ATOM 838 C THR A 52 2.394 -4.177 6.178 1.00 0.00 C ATOM 839 O THR A 52 2.174 -5.212 5.548 1.00 0.00 O ATOM 840 CB THR A 52 4.679 -3.530 6.946 1.00 0.00 C ATOM 841 OG1 THR A 52 5.855 -2.776 6.633 1.00 0.00 O ATOM 842 CG2 THR A 52 5.034 -5.004 7.070 1.00 0.00 C ATOM 0 H THR A 52 3.590 -1.320 6.506 1.00 0.00 H new ATOM 0 HA THR A 52 4.018 -3.611 4.893 1.00 0.00 H new ATOM 0 HB THR A 52 4.272 -3.189 7.898 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.830 -1.919 7.107 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.791 -5.132 7.843 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.143 -5.572 7.337 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.423 -5.366 6.118 1.00 0.00 H new ATOM 850 N ILE A 53 1.610 -3.746 7.160 1.00 0.00 N ATOM 851 CA ILE A 53 0.416 -4.480 7.561 1.00 0.00 C ATOM 852 C ILE A 53 -0.509 -4.717 6.372 1.00 0.00 C ATOM 853 O ILE A 53 -0.992 -5.829 6.161 1.00 0.00 O ATOM 854 CB ILE A 53 -0.361 -3.733 8.661 1.00 0.00 C ATOM 855 CG1 ILE A 53 0.528 -3.515 9.887 1.00 0.00 C ATOM 856 CG2 ILE A 53 -1.616 -4.505 9.041 1.00 0.00 C ATOM 857 CD1 ILE A 53 0.040 -2.413 10.800 1.00 0.00 C ATOM 0 H ILE A 53 1.780 -2.893 7.693 1.00 0.00 H new ATOM 0 HA ILE A 53 0.752 -5.440 7.953 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.660 -2.759 8.275 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.587 -4.445 10.453 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.539 -3.279 9.555 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.154 -3.964 9.819 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.256 -4.613 8.165 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.338 -5.492 9.411 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.719 -2.315 11.647 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.008 -1.472 10.250 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.959 -2.656 11.162 1.00 0.00 H new ATOM 869 N TRP A 54 -0.750 -3.664 5.599 1.00 0.00 N ATOM 870 CA TRP A 54 -1.616 -3.758 4.429 1.00 0.00 C ATOM 871 C TRP A 54 -1.115 -4.828 3.465 1.00 0.00 C ATOM 872 O TRP A 54 -1.888 -5.660 2.989 1.00 0.00 O ATOM 873 CB TRP A 54 -1.694 -2.407 3.716 1.00 0.00 C ATOM 874 CG TRP A 54 -2.742 -2.359 2.646 1.00 0.00 C ATOM 875 CD1 TRP A 54 -4.004 -1.849 2.758 1.00 0.00 C ATOM 876 CD2 TRP A 54 -2.619 -2.841 1.304 1.00 0.00 C ATOM 877 NE1 TRP A 54 -4.673 -1.985 1.566 1.00 0.00 N ATOM 878 CE2 TRP A 54 -3.845 -2.589 0.657 1.00 0.00 C ATOM 879 CE3 TRP A 54 -1.592 -3.457 0.584 1.00 0.00 C ATOM 880 CZ2 TRP A 54 -4.069 -2.936 -0.673 1.00 0.00 C ATOM 881 CZ3 TRP A 54 -1.817 -3.801 -0.736 1.00 0.00 C ATOM 882 CH2 TRP A 54 -3.047 -3.538 -1.353 1.00 0.00 C ATOM 0 H TRP A 54 -0.358 -2.736 5.761 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.613 -4.039 4.768 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.899 -1.628 4.450 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.724 -2.181 3.274 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.415 -1.404 3.652 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.631 -1.685 1.387 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.639 -3.661 1.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -5.017 -2.737 -1.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.031 -4.281 -1.301 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.191 -3.816 -2.387 1.00 0.00 H new ATOM 893 N PHE A 55 0.183 -4.800 3.180 1.00 0.00 N ATOM 894 CA PHE A 55 0.787 -5.768 2.272 1.00 0.00 C ATOM 895 C PHE A 55 0.615 -7.190 2.798 1.00 0.00 C ATOM 896 O PHE A 55 0.512 -8.140 2.024 1.00 0.00 O ATOM 897 CB PHE A 55 2.273 -5.459 2.079 1.00 0.00 C ATOM 898 CG PHE A 55 2.552 -4.556 0.912 1.00 0.00 C ATOM 899 CD1 PHE A 55 2.071 -3.257 0.894 1.00 0.00 C ATOM 900 CD2 PHE A 55 3.293 -5.007 -0.169 1.00 0.00 C ATOM 901 CE1 PHE A 55 2.326 -2.423 -0.178 1.00 0.00 C ATOM 902 CE2 PHE A 55 3.551 -4.178 -1.244 1.00 0.00 C ATOM 903 CZ PHE A 55 3.066 -2.884 -1.249 1.00 0.00 C ATOM 0 H PHE A 55 0.836 -4.118 3.565 1.00 0.00 H new ATOM 0 HA PHE A 55 0.279 -5.692 1.310 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.660 -4.996 2.987 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.815 -6.394 1.942 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.490 -2.892 1.728 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.673 -6.018 -0.171 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.947 -1.412 -0.178 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.131 -4.541 -2.079 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.265 -2.235 -2.089 1.00 0.00 H new ATOM 913 N GLN A 56 0.587 -7.325 4.120 1.00 0.00 N ATOM 914 CA GLN A 56 0.429 -8.631 4.750 1.00 0.00 C ATOM 915 C GLN A 56 -0.996 -9.148 4.581 1.00 0.00 C ATOM 916 O GLN A 56 -1.208 -10.281 4.152 1.00 0.00 O ATOM 917 CB GLN A 56 0.782 -8.549 6.237 1.00 0.00 C ATOM 918 CG GLN A 56 2.273 -8.419 6.502 1.00 0.00 C ATOM 919 CD GLN A 56 2.574 -7.791 7.848 1.00 0.00 C ATOM 920 OE1 GLN A 56 2.738 -6.575 7.956 1.00 0.00 O ATOM 921 NE2 GLN A 56 2.648 -8.618 8.885 1.00 0.00 N ATOM 0 H GLN A 56 0.671 -6.548 4.775 1.00 0.00 H new ATOM 0 HA GLN A 56 1.109 -9.328 4.260 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.267 -7.695 6.678 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.408 -9.441 6.740 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.734 -9.406 6.455 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.727 -7.817 5.715 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.505 -9.619 8.750 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.847 -8.252 9.816 1.00 0.00 H new ATOM 930 N ASN A 57 -1.969 -8.310 4.923 1.00 0.00 N ATOM 931 CA ASN A 57 -3.374 -8.683 4.809 1.00 0.00 C ATOM 932 C ASN A 57 -3.686 -9.211 3.412 1.00 0.00 C ATOM 933 O ASN A 57 -4.509 -10.111 3.247 1.00 0.00 O ATOM 934 CB ASN A 57 -4.269 -7.483 5.125 1.00 0.00 C ATOM 935 CG ASN A 57 -4.660 -7.423 6.589 1.00 0.00 C ATOM 936 OD1 ASN A 57 -5.825 -7.612 6.940 1.00 0.00 O ATOM 937 ND2 ASN A 57 -3.685 -7.157 7.451 1.00 0.00 N ATOM 0 H ASN A 57 -1.810 -7.368 5.281 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.573 -9.476 5.530 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.750 -6.564 4.852 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.170 -7.534 4.513 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.888 -7.102 8.449 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.734 -7.007 7.115 1.00 0.00 H new ATOM 944 N ARG A 58 -3.021 -8.645 2.410 1.00 0.00 N ATOM 945 CA ARG A 58 -3.227 -9.058 1.027 1.00 0.00 C ATOM 946 C ARG A 58 -2.739 -10.487 0.808 1.00 0.00 C ATOM 947 O ARG A 58 -3.454 -11.319 0.249 1.00 0.00 O ATOM 948 CB ARG A 58 -2.500 -8.107 0.075 1.00 0.00 C ATOM 949 CG ARG A 58 -3.201 -7.930 -1.262 1.00 0.00 C ATOM 950 CD ARG A 58 -4.564 -7.276 -1.094 1.00 0.00 C ATOM 951 NE ARG A 58 -5.137 -6.869 -2.374 1.00 0.00 N ATOM 952 CZ ARG A 58 -6.404 -6.501 -2.529 1.00 0.00 C ATOM 953 NH1 ARG A 58 -7.225 -6.489 -1.488 1.00 0.00 N ATOM 954 NH2 ARG A 58 -6.851 -6.143 -3.726 1.00 0.00 N ATOM 0 H ARG A 58 -2.335 -7.899 2.530 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.296 -9.022 0.818 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.399 -7.133 0.554 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.492 -8.482 -0.100 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.582 -7.320 -1.921 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.319 -8.901 -1.744 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.241 -7.972 -0.598 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.471 -6.405 -0.445 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.531 -6.867 -3.194 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.884 -6.763 -0.566 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -8.198 -6.206 -1.609 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.222 -6.150 -4.529 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.824 -5.861 -3.844 1.00 0.00 H new ATOM 968 N ARG A 59 -1.517 -10.763 1.250 1.00 0.00 N ATOM 969 CA ARG A 59 -0.932 -12.091 1.101 1.00 0.00 C ATOM 970 C ARG A 59 -1.675 -13.112 1.957 1.00 0.00 C ATOM 971 O ARG A 59 -2.131 -14.141 1.460 1.00 0.00 O ATOM 972 CB ARG A 59 0.548 -12.066 1.486 1.00 0.00 C ATOM 973 CG ARG A 59 1.483 -11.883 0.302 1.00 0.00 C ATOM 974 CD ARG A 59 2.905 -11.592 0.755 1.00 0.00 C ATOM 975 NE ARG A 59 3.786 -12.742 0.566 1.00 0.00 N ATOM 976 CZ ARG A 59 3.899 -13.733 1.444 1.00 0.00 C ATOM 977 NH1 ARG A 59 3.192 -13.714 2.565 1.00 0.00 N ATOM 978 NH2 ARG A 59 4.722 -14.745 1.201 1.00 0.00 N ATOM 0 H ARG A 59 -0.912 -10.085 1.714 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.023 -12.385 0.055 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.716 -11.258 2.199 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.798 -12.997 1.995 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.473 -12.783 -0.313 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.125 -11.065 -0.323 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.296 -10.741 0.198 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.899 -11.309 1.808 1.00 0.00 H new ATOM 0 HE ARG A 59 4.345 -12.787 -0.286 1.00 0.00 H new ATOM 0 HH11 ARG A 59 2.559 -12.937 2.756 1.00 0.00 H new ATOM 0 HH12 ARG A 59 3.281 -14.476 3.237 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.268 -14.763 0.340 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.808 -15.505 1.875 1.00 0.00 H new ATOM 992 N VAL A 60 -1.793 -12.819 3.249 1.00 0.00 N ATOM 993 CA VAL A 60 -2.480 -13.711 4.175 1.00 0.00 C ATOM 994 C VAL A 60 -3.867 -14.078 3.657 1.00 0.00 C ATOM 995 O VAL A 60 -4.364 -15.176 3.908 1.00 0.00 O ATOM 996 CB VAL A 60 -2.618 -13.073 5.570 1.00 0.00 C ATOM 997 CG1 VAL A 60 -3.248 -14.055 6.546 1.00 0.00 C ATOM 998 CG2 VAL A 60 -1.263 -12.601 6.076 1.00 0.00 C ATOM 0 H VAL A 60 -1.422 -11.971 3.677 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.874 -14.613 4.254 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.273 -12.205 5.491 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.338 -13.587 7.526 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.237 -14.340 6.188 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.621 -14.943 6.624 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.379 -12.153 7.063 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.583 -13.450 6.141 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.855 -11.861 5.387 1.00 0.00 H new