USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 559 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 Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.462 X(o=-0.46,f=-0.38) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.682 USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 CYS SG : rot -19:sc= 0.0375 USER MOD Single : A 36 LYS NZ :NH3+ -134:sc= 1.99 (180deg=0.869) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 35:sc= 0.73 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -150:sc= -1.63 (180deg=-2.52!) USER MOD Single : A 50 TYR OH : rot 30:sc= 0 USER MOD Single : A 51 CYS SG : rot 90:sc= -2.48 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HE2:sc= 0.508 K(o=0.51,f=-1.8!) USER MOD Single : A 68 MET CE :methyl -143:sc= -5.04! (180deg=-5.89!) USER MOD Single : A 69 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.44) USER MOD Single : A 72 LYS NZ :NH3+ 153:sc= -12.3! (180deg=-13.5!) USER MOD Single : A 76 LYS NZ :NH3+ 166:sc=-0.000716 (180deg=-0.0797) USER MOD Single : A 79 LYS NZ :NH3+ 144:sc= -0.546 (180deg=-2.22!) USER MOD Single : A 81 ASN : amide:sc= -0.287 X(o=-0.29,f=-0.78) USER MOD ----------------------------------------------------------------- ATOM 163 N PRO A 8 -9.750 -0.469 -4.584 1.00 0.00 N ATOM 164 CA PRO A 8 -8.304 -0.233 -4.566 1.00 0.00 C ATOM 165 C PRO A 8 -7.509 -1.515 -4.342 1.00 0.00 C ATOM 166 O PRO A 8 -7.831 -2.309 -3.457 1.00 0.00 O ATOM 167 CB PRO A 8 -8.115 0.725 -3.386 1.00 0.00 C ATOM 168 CG PRO A 8 -9.277 0.458 -2.493 1.00 0.00 C ATOM 169 CD PRO A 8 -10.420 0.091 -3.399 1.00 0.00 C ATOM 0 HA PRO A 8 -7.945 0.162 -5.516 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.171 0.541 -2.873 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.100 1.763 -3.717 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.056 -0.351 -1.796 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.520 1.336 -1.895 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.085 -0.636 -2.933 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.026 0.960 -3.653 1.00 0.00 H new ATOM 177 N ARG A 9 -6.471 -1.712 -5.149 1.00 0.00 N ATOM 178 CA ARG A 9 -5.632 -2.899 -5.039 1.00 0.00 C ATOM 179 C ARG A 9 -4.164 -2.514 -4.875 1.00 0.00 C ATOM 180 O ARG A 9 -3.280 -3.371 -4.893 1.00 0.00 O ATOM 181 CB ARG A 9 -5.803 -3.787 -6.273 1.00 0.00 C ATOM 182 CG ARG A 9 -7.156 -4.477 -6.344 1.00 0.00 C ATOM 183 CD ARG A 9 -7.308 -5.270 -7.632 1.00 0.00 C ATOM 184 NE ARG A 9 -7.275 -4.410 -8.813 1.00 0.00 N ATOM 185 CZ ARG A 9 -7.802 -4.749 -9.984 1.00 0.00 C ATOM 186 NH1 ARG A 9 -8.398 -5.923 -10.132 1.00 0.00 N ATOM 187 NH2 ARG A 9 -7.731 -3.912 -11.010 1.00 0.00 N ATOM 0 H ARG A 9 -6.191 -1.065 -5.886 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.945 -3.454 -4.155 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.666 -3.181 -7.168 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.018 -4.543 -6.278 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.271 -5.143 -5.489 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.950 -3.733 -6.278 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.509 -6.008 -7.699 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -8.249 -5.820 -7.610 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.822 -3.499 -8.734 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -8.453 -6.570 -9.345 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -8.802 -6.180 -11.033 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.272 -3.008 -10.900 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -8.136 -4.172 -11.909 1.00 0.00 H new ATOM 201 N THR A 10 -3.912 -1.219 -4.717 1.00 0.00 N ATOM 202 CA THR A 10 -2.553 -0.719 -4.553 1.00 0.00 C ATOM 203 C THR A 10 -2.361 -0.089 -3.177 1.00 0.00 C ATOM 204 O THR A 10 -3.234 0.625 -2.683 1.00 0.00 O ATOM 205 CB THR A 10 -2.201 0.319 -5.634 1.00 0.00 C ATOM 206 OG1 THR A 10 -2.592 -0.164 -6.924 1.00 0.00 O ATOM 207 CG2 THR A 10 -0.710 0.619 -5.631 1.00 0.00 C ATOM 0 H THR A 10 -4.632 -0.497 -4.699 1.00 0.00 H new ATOM 0 HA THR A 10 -1.887 -1.576 -4.654 1.00 0.00 H new ATOM 0 HB THR A 10 -2.742 1.239 -5.412 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.366 0.503 -7.605 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.485 1.355 -6.403 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.420 1.015 -4.657 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.154 -0.297 -5.830 1.00 0.00 H new ATOM 215 N LEU A 11 -1.213 -0.357 -2.564 1.00 0.00 N ATOM 216 CA LEU A 11 -0.907 0.185 -1.245 1.00 0.00 C ATOM 217 C LEU A 11 0.452 0.877 -1.243 1.00 0.00 C ATOM 218 O LEU A 11 1.423 0.364 -1.802 1.00 0.00 O ATOM 219 CB LEU A 11 -0.925 -0.930 -0.197 1.00 0.00 C ATOM 220 CG LEU A 11 -1.877 -2.095 -0.473 1.00 0.00 C ATOM 221 CD1 LEU A 11 -1.701 -3.186 0.571 1.00 0.00 C ATOM 222 CD2 LEU A 11 -3.319 -1.609 -0.502 1.00 0.00 C ATOM 0 H LEU A 11 -0.480 -0.946 -2.959 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.670 0.922 -0.996 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.085 -1.327 -0.101 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.188 -0.492 0.766 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.636 -2.514 -1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.386 -4.007 0.359 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.675 -3.554 0.544 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.915 -2.781 1.560 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.983 -2.451 -0.700 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.573 -1.165 0.461 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.436 -0.863 -1.288 1.00 0.00 H new ATOM 234 N TYR A 12 0.514 2.044 -0.611 1.00 0.00 N ATOM 235 CA TYR A 12 1.754 2.807 -0.537 1.00 0.00 C ATOM 236 C TYR A 12 2.515 2.488 0.747 1.00 0.00 C ATOM 237 O TYR A 12 1.998 2.670 1.850 1.00 0.00 O ATOM 238 CB TYR A 12 1.460 4.307 -0.609 1.00 0.00 C ATOM 239 CG TYR A 12 2.566 5.169 -0.044 1.00 0.00 C ATOM 240 CD1 TYR A 12 2.660 5.407 1.322 1.00 0.00 C ATOM 241 CD2 TYR A 12 3.519 5.745 -0.875 1.00 0.00 C ATOM 242 CE1 TYR A 12 3.667 6.195 1.843 1.00 0.00 C ATOM 243 CE2 TYR A 12 4.532 6.533 -0.363 1.00 0.00 C ATOM 244 CZ TYR A 12 4.601 6.756 0.996 1.00 0.00 C ATOM 245 OH TYR A 12 5.608 7.539 1.512 1.00 0.00 O ATOM 0 H TYR A 12 -0.280 2.482 -0.143 1.00 0.00 H new ATOM 0 HA TYR A 12 2.376 2.524 -1.386 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.289 4.586 -1.649 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.537 4.514 -0.068 1.00 0.00 H new ATOM 0 HD1 TYR A 12 1.932 4.968 1.988 1.00 0.00 H new ATOM 0 HD2 TYR A 12 3.467 5.574 -1.940 1.00 0.00 H new ATOM 0 HE1 TYR A 12 3.723 6.371 2.907 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.265 6.972 -1.023 1.00 0.00 H new ATOM 0 HH TYR A 12 6.182 7.856 0.784 1.00 0.00 H new ATOM 255 N VAL A 13 3.747 2.012 0.595 1.00 0.00 N ATOM 256 CA VAL A 13 4.580 1.669 1.740 1.00 0.00 C ATOM 257 C VAL A 13 5.690 2.694 1.939 1.00 0.00 C ATOM 258 O VAL A 13 6.545 2.876 1.072 1.00 0.00 O ATOM 259 CB VAL A 13 5.210 0.272 1.578 1.00 0.00 C ATOM 260 CG1 VAL A 13 5.983 -0.114 2.830 1.00 0.00 C ATOM 261 CG2 VAL A 13 4.138 -0.761 1.264 1.00 0.00 C ATOM 0 H VAL A 13 4.190 1.855 -0.311 1.00 0.00 H new ATOM 0 HA VAL A 13 3.930 1.667 2.615 1.00 0.00 H new ATOM 0 HB VAL A 13 5.910 0.302 0.743 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.421 -1.103 2.697 1.00 0.00 H new ATOM 0 HG12 VAL A 13 6.776 0.613 3.007 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.307 -0.128 3.685 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.600 -1.742 1.153 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.413 -0.791 2.077 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.633 -0.491 0.337 1.00 0.00 H new ATOM 271 N GLY A 14 5.672 3.364 3.088 1.00 0.00 N ATOM 272 CA GLY A 14 6.683 4.363 3.380 1.00 0.00 C ATOM 273 C GLY A 14 7.460 4.051 4.643 1.00 0.00 C ATOM 274 O GLY A 14 7.138 3.102 5.358 1.00 0.00 O ATOM 0 H GLY A 14 4.975 3.232 3.821 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.374 4.432 2.540 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.207 5.338 3.482 1.00 0.00 H new ATOM 278 N ASN A 15 8.486 4.849 4.918 1.00 0.00 N ATOM 279 CA ASN A 15 9.313 4.651 6.103 1.00 0.00 C ATOM 280 C ASN A 15 10.033 3.306 6.046 1.00 0.00 C ATOM 281 O ASN A 15 9.999 2.530 7.001 1.00 0.00 O ATOM 282 CB ASN A 15 8.455 4.728 7.367 1.00 0.00 C ATOM 283 CG ASN A 15 9.234 5.241 8.563 1.00 0.00 C ATOM 284 OD1 ASN A 15 9.255 6.442 8.836 1.00 0.00 O ATOM 285 ND2 ASN A 15 9.879 4.331 9.284 1.00 0.00 N ATOM 0 H ASN A 15 8.765 5.639 4.336 1.00 0.00 H new ATOM 0 HA ASN A 15 10.061 5.443 6.130 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.602 5.382 7.185 1.00 0.00 H new ATOM 0 HB3 ASN A 15 8.056 3.739 7.593 1.00 0.00 H new ATOM 0 HD21 ASN A 15 10.419 4.617 10.101 1.00 0.00 H new ATOM 0 HD22 ASN A 15 9.834 3.346 9.021 1.00 0.00 H new ATOM 292 N LEU A 16 10.684 3.037 4.919 1.00 0.00 N ATOM 293 CA LEU A 16 11.413 1.788 4.735 1.00 0.00 C ATOM 294 C LEU A 16 12.897 1.975 5.033 1.00 0.00 C ATOM 295 O LEU A 16 13.482 3.006 4.703 1.00 0.00 O ATOM 296 CB LEU A 16 11.229 1.271 3.308 1.00 0.00 C ATOM 297 CG LEU A 16 9.787 1.027 2.863 1.00 0.00 C ATOM 298 CD1 LEU A 16 9.742 0.610 1.401 1.00 0.00 C ATOM 299 CD2 LEU A 16 9.129 -0.029 3.741 1.00 0.00 C ATOM 0 H LEU A 16 10.721 3.668 4.119 1.00 0.00 H new ATOM 0 HA LEU A 16 11.010 1.055 5.434 1.00 0.00 H new ATOM 0 HB2 LEU A 16 11.683 1.986 2.622 1.00 0.00 H new ATOM 0 HB3 LEU A 16 11.782 0.337 3.207 1.00 0.00 H new ATOM 0 HG LEU A 16 9.232 1.959 2.971 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.707 0.441 1.103 1.00 0.00 H new ATOM 0 HD12 LEU A 16 10.173 1.399 0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 16 10.313 -0.309 1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.103 -0.190 3.410 1.00 0.00 H new ATOM 0 HD22 LEU A 16 9.685 -0.963 3.665 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.127 0.309 4.777 1.00 0.00 H new ATOM 311 N SER A 17 13.502 0.968 5.657 1.00 0.00 N ATOM 312 CA SER A 17 14.917 1.022 6.001 1.00 0.00 C ATOM 313 C SER A 17 15.786 0.793 4.767 1.00 0.00 C ATOM 314 O SER A 17 15.499 -0.081 3.949 1.00 0.00 O ATOM 315 CB SER A 17 15.244 -0.022 7.071 1.00 0.00 C ATOM 316 OG SER A 17 16.319 0.405 7.889 1.00 0.00 O ATOM 0 H SER A 17 13.033 0.105 5.934 1.00 0.00 H new ATOM 0 HA SER A 17 15.132 2.015 6.395 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.364 -0.203 7.688 1.00 0.00 H new ATOM 0 HB3 SER A 17 15.499 -0.968 6.594 1.00 0.00 H new ATOM 0 HG SER A 17 16.507 -0.279 8.565 1.00 0.00 H new ATOM 322 N ARG A 18 16.846 1.583 4.643 1.00 0.00 N ATOM 323 CA ARG A 18 17.756 1.468 3.508 1.00 0.00 C ATOM 324 C ARG A 18 18.144 0.011 3.269 1.00 0.00 C ATOM 325 O ARG A 18 18.591 -0.352 2.182 1.00 0.00 O ATOM 326 CB ARG A 18 19.010 2.309 3.746 1.00 0.00 C ATOM 327 CG ARG A 18 18.783 3.802 3.578 1.00 0.00 C ATOM 328 CD ARG A 18 18.967 4.234 2.131 1.00 0.00 C ATOM 329 NE ARG A 18 20.320 3.969 1.649 1.00 0.00 N ATOM 330 CZ ARG A 18 20.782 4.405 0.482 1.00 0.00 C ATOM 331 NH1 ARG A 18 20.005 5.122 -0.318 1.00 0.00 N ATOM 332 NH2 ARG A 18 22.025 4.123 0.113 1.00 0.00 N ATOM 0 H ARG A 18 17.097 2.310 5.313 1.00 0.00 H new ATOM 0 HA ARG A 18 17.242 1.839 2.622 1.00 0.00 H new ATOM 0 HB2 ARG A 18 19.380 2.117 4.753 1.00 0.00 H new ATOM 0 HB3 ARG A 18 19.789 1.988 3.054 1.00 0.00 H new ATOM 0 HG2 ARG A 18 17.777 4.058 3.910 1.00 0.00 H new ATOM 0 HG3 ARG A 18 19.478 4.351 4.214 1.00 0.00 H new ATOM 0 HD2 ARG A 18 18.249 3.709 1.502 1.00 0.00 H new ATOM 0 HD3 ARG A 18 18.752 5.299 2.040 1.00 0.00 H new ATOM 0 HE ARG A 18 20.944 3.420 2.240 1.00 0.00 H new ATOM 0 HH11 ARG A 18 19.049 5.341 -0.038 1.00 0.00 H new ATOM 0 HH12 ARG A 18 20.363 5.455 -1.213 1.00 0.00 H new ATOM 0 HH21 ARG A 18 22.626 3.571 0.725 1.00 0.00 H new ATOM 0 HH22 ARG A 18 22.379 4.458 -0.783 1.00 0.00 H new ATOM 346 N ASP A 19 17.972 -0.817 4.294 1.00 0.00 N ATOM 347 CA ASP A 19 18.305 -2.234 4.196 1.00 0.00 C ATOM 348 C ASP A 19 17.211 -2.998 3.457 1.00 0.00 C ATOM 349 O ASP A 19 17.490 -3.936 2.710 1.00 0.00 O ATOM 350 CB ASP A 19 18.508 -2.830 5.590 1.00 0.00 C ATOM 351 CG ASP A 19 19.645 -2.168 6.341 1.00 0.00 C ATOM 352 OD1 ASP A 19 20.817 -2.462 6.024 1.00 0.00 O ATOM 353 OD2 ASP A 19 19.365 -1.356 7.249 1.00 0.00 O ATOM 0 H ASP A 19 17.604 -0.532 5.202 1.00 0.00 H new ATOM 0 HA ASP A 19 19.233 -2.326 3.632 1.00 0.00 H new ATOM 0 HB2 ASP A 19 17.587 -2.726 6.164 1.00 0.00 H new ATOM 0 HB3 ASP A 19 18.708 -3.898 5.500 1.00 0.00 H new ATOM 358 N VAL A 20 15.962 -2.593 3.672 1.00 0.00 N ATOM 359 CA VAL A 20 14.827 -3.239 3.027 1.00 0.00 C ATOM 360 C VAL A 20 15.042 -3.356 1.522 1.00 0.00 C ATOM 361 O VAL A 20 15.842 -2.623 0.939 1.00 0.00 O ATOM 362 CB VAL A 20 13.519 -2.469 3.288 1.00 0.00 C ATOM 363 CG1 VAL A 20 12.348 -3.157 2.604 1.00 0.00 C ATOM 364 CG2 VAL A 20 13.271 -2.335 4.783 1.00 0.00 C ATOM 0 H VAL A 20 15.712 -1.820 4.289 1.00 0.00 H new ATOM 0 HA VAL A 20 14.745 -4.237 3.458 1.00 0.00 H new ATOM 0 HB VAL A 20 13.616 -1.468 2.867 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.433 -2.598 2.800 1.00 0.00 H new ATOM 0 HG12 VAL A 20 12.526 -3.196 1.529 1.00 0.00 H new ATOM 0 HG13 VAL A 20 12.244 -4.170 2.992 1.00 0.00 H new ATOM 0 HG21 VAL A 20 12.343 -1.788 4.950 1.00 0.00 H new ATOM 0 HG22 VAL A 20 13.194 -3.326 5.229 1.00 0.00 H new ATOM 0 HG23 VAL A 20 14.098 -1.794 5.242 1.00 0.00 H new ATOM 374 N THR A 21 14.324 -4.284 0.897 1.00 0.00 N ATOM 375 CA THR A 21 14.437 -4.497 -0.540 1.00 0.00 C ATOM 376 C THR A 21 13.081 -4.823 -1.156 1.00 0.00 C ATOM 377 O THR A 21 12.123 -5.122 -0.445 1.00 0.00 O ATOM 378 CB THR A 21 15.421 -5.636 -0.863 1.00 0.00 C ATOM 379 OG1 THR A 21 15.250 -6.711 0.067 1.00 0.00 O ATOM 380 CG2 THR A 21 16.858 -5.141 -0.813 1.00 0.00 C ATOM 0 H THR A 21 13.658 -4.900 1.364 1.00 0.00 H new ATOM 0 HA THR A 21 14.814 -3.568 -0.968 1.00 0.00 H new ATOM 0 HB THR A 21 15.210 -5.992 -1.872 1.00 0.00 H new ATOM 0 HG1 THR A 21 15.879 -7.432 -0.147 1.00 0.00 H new ATOM 0 HG21 THR A 21 17.534 -5.964 -1.045 1.00 0.00 H new ATOM 0 HG22 THR A 21 16.994 -4.343 -1.543 1.00 0.00 H new ATOM 0 HG23 THR A 21 17.077 -4.761 0.185 1.00 0.00 H new ATOM 388 N GLU A 22 13.009 -4.765 -2.482 1.00 0.00 N ATOM 389 CA GLU A 22 11.768 -5.054 -3.192 1.00 0.00 C ATOM 390 C GLU A 22 11.311 -6.485 -2.929 1.00 0.00 C ATOM 391 O GLU A 22 10.132 -6.737 -2.682 1.00 0.00 O ATOM 392 CB GLU A 22 11.952 -4.834 -4.696 1.00 0.00 C ATOM 393 CG GLU A 22 10.774 -5.312 -5.529 1.00 0.00 C ATOM 394 CD GLU A 22 10.910 -6.762 -5.953 1.00 0.00 C ATOM 395 OE1 GLU A 22 10.673 -7.652 -5.111 1.00 0.00 O ATOM 396 OE2 GLU A 22 11.254 -7.005 -7.129 1.00 0.00 O ATOM 0 H GLU A 22 13.794 -4.521 -3.086 1.00 0.00 H new ATOM 0 HA GLU A 22 11.001 -4.373 -2.823 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.111 -3.772 -4.883 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.853 -5.354 -5.023 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.855 -5.190 -4.956 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.683 -4.685 -6.416 1.00 0.00 H new ATOM 403 N VAL A 23 12.254 -7.421 -2.983 1.00 0.00 N ATOM 404 CA VAL A 23 11.950 -8.828 -2.749 1.00 0.00 C ATOM 405 C VAL A 23 11.510 -9.063 -1.308 1.00 0.00 C ATOM 406 O VAL A 23 10.609 -9.860 -1.046 1.00 0.00 O ATOM 407 CB VAL A 23 13.165 -9.723 -3.056 1.00 0.00 C ATOM 408 CG1 VAL A 23 12.887 -11.161 -2.644 1.00 0.00 C ATOM 409 CG2 VAL A 23 13.527 -9.642 -4.531 1.00 0.00 C ATOM 0 H VAL A 23 13.235 -7.230 -3.187 1.00 0.00 H new ATOM 0 HA VAL A 23 11.134 -9.092 -3.422 1.00 0.00 H new ATOM 0 HB VAL A 23 14.015 -9.363 -2.477 1.00 0.00 H new ATOM 0 HG11 VAL A 23 13.757 -11.778 -2.869 1.00 0.00 H new ATOM 0 HG12 VAL A 23 12.681 -11.200 -1.574 1.00 0.00 H new ATOM 0 HG13 VAL A 23 12.024 -11.537 -3.194 1.00 0.00 H new ATOM 0 HG21 VAL A 23 14.388 -10.281 -4.730 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.681 -9.975 -5.132 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.772 -8.612 -4.789 1.00 0.00 H new ATOM 419 N LEU A 24 12.150 -8.363 -0.379 1.00 0.00 N ATOM 420 CA LEU A 24 11.825 -8.496 1.037 1.00 0.00 C ATOM 421 C LEU A 24 10.367 -8.127 1.297 1.00 0.00 C ATOM 422 O LEU A 24 9.628 -8.885 1.926 1.00 0.00 O ATOM 423 CB LEU A 24 12.744 -7.607 1.877 1.00 0.00 C ATOM 424 CG LEU A 24 12.760 -7.889 3.379 1.00 0.00 C ATOM 425 CD1 LEU A 24 13.832 -7.057 4.067 1.00 0.00 C ATOM 426 CD2 LEU A 24 11.394 -7.612 3.990 1.00 0.00 C ATOM 0 H LEU A 24 12.897 -7.698 -0.580 1.00 0.00 H new ATOM 0 HA LEU A 24 11.975 -9.537 1.323 1.00 0.00 H new ATOM 0 HB2 LEU A 24 13.761 -7.709 1.498 1.00 0.00 H new ATOM 0 HB3 LEU A 24 12.450 -6.568 1.726 1.00 0.00 H new ATOM 0 HG LEU A 24 12.995 -8.943 3.528 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.829 -7.271 5.136 1.00 0.00 H new ATOM 0 HD12 LEU A 24 14.808 -7.305 3.650 1.00 0.00 H new ATOM 0 HD13 LEU A 24 13.628 -5.998 3.908 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.425 -7.819 5.060 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.129 -6.567 3.830 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.648 -8.252 3.519 1.00 0.00 H new ATOM 438 N ILE A 25 9.961 -6.961 0.807 1.00 0.00 N ATOM 439 CA ILE A 25 8.591 -6.494 0.984 1.00 0.00 C ATOM 440 C ILE A 25 7.592 -7.484 0.393 1.00 0.00 C ATOM 441 O ILE A 25 6.608 -7.849 1.037 1.00 0.00 O ATOM 442 CB ILE A 25 8.376 -5.116 0.331 1.00 0.00 C ATOM 443 CG1 ILE A 25 9.209 -4.052 1.051 1.00 0.00 C ATOM 444 CG2 ILE A 25 6.902 -4.745 0.349 1.00 0.00 C ATOM 445 CD1 ILE A 25 8.654 -3.665 2.404 1.00 0.00 C ATOM 0 H ILE A 25 10.561 -6.322 0.284 1.00 0.00 H new ATOM 0 HA ILE A 25 8.424 -6.408 2.058 1.00 0.00 H new ATOM 0 HB ILE A 25 8.704 -5.167 -0.707 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.226 -4.422 1.177 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.269 -3.163 0.424 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.767 -3.768 -0.116 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.332 -5.492 -0.203 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.549 -4.708 1.379 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.294 -2.908 2.857 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.647 -3.265 2.283 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.620 -4.544 3.048 1.00 0.00 H new ATOM 457 N LEU A 26 7.853 -7.917 -0.836 1.00 0.00 N ATOM 458 CA LEU A 26 6.978 -8.867 -1.514 1.00 0.00 C ATOM 459 C LEU A 26 6.878 -10.171 -0.728 1.00 0.00 C ATOM 460 O LEU A 26 5.847 -10.843 -0.755 1.00 0.00 O ATOM 461 CB LEU A 26 7.496 -9.148 -2.926 1.00 0.00 C ATOM 462 CG LEU A 26 7.161 -8.097 -3.985 1.00 0.00 C ATOM 463 CD1 LEU A 26 7.834 -8.438 -5.306 1.00 0.00 C ATOM 464 CD2 LEU A 26 5.655 -7.984 -4.166 1.00 0.00 C ATOM 0 H LEU A 26 8.663 -7.625 -1.383 1.00 0.00 H new ATOM 0 HA LEU A 26 5.983 -8.426 -1.579 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.580 -9.255 -2.879 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.095 -10.107 -3.255 1.00 0.00 H new ATOM 0 HG LEU A 26 7.539 -7.133 -3.645 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.585 -7.679 -6.048 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.915 -8.468 -5.167 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.486 -9.411 -5.651 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.435 -7.232 -4.923 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.253 -8.946 -4.483 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.196 -7.693 -3.221 1.00 0.00 H new ATOM 476 N GLN A 27 7.951 -10.519 -0.028 1.00 0.00 N ATOM 477 CA GLN A 27 7.982 -11.741 0.767 1.00 0.00 C ATOM 478 C GLN A 27 7.013 -11.651 1.941 1.00 0.00 C ATOM 479 O GLN A 27 6.212 -12.558 2.170 1.00 0.00 O ATOM 480 CB GLN A 27 9.399 -12.006 1.278 1.00 0.00 C ATOM 481 CG GLN A 27 10.352 -12.498 0.201 1.00 0.00 C ATOM 482 CD GLN A 27 10.303 -14.003 0.021 1.00 0.00 C ATOM 483 OE1 GLN A 27 9.288 -14.556 -0.404 1.00 0.00 O ATOM 484 NE2 GLN A 27 11.402 -14.675 0.343 1.00 0.00 N ATOM 0 H GLN A 27 8.811 -9.972 0.005 1.00 0.00 H new ATOM 0 HA GLN A 27 7.674 -12.569 0.128 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.797 -11.089 1.712 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.355 -12.745 2.078 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.106 -12.015 -0.745 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.369 -12.199 0.457 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.221 -14.177 0.692 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.427 -15.690 0.242 1.00 0.00 H new ATOM 493 N LEU A 28 7.092 -10.552 2.683 1.00 0.00 N ATOM 494 CA LEU A 28 6.222 -10.343 3.835 1.00 0.00 C ATOM 495 C LEU A 28 4.770 -10.175 3.398 1.00 0.00 C ATOM 496 O LEU A 28 3.866 -10.791 3.963 1.00 0.00 O ATOM 497 CB LEU A 28 6.674 -9.114 4.625 1.00 0.00 C ATOM 498 CG LEU A 28 8.134 -9.109 5.082 1.00 0.00 C ATOM 499 CD1 LEU A 28 8.390 -7.952 6.034 1.00 0.00 C ATOM 500 CD2 LEU A 28 8.491 -10.433 5.740 1.00 0.00 C ATOM 0 H LEU A 28 7.749 -9.792 2.508 1.00 0.00 H new ATOM 0 HA LEU A 28 6.290 -11.223 4.474 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.503 -8.229 4.011 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.038 -9.019 5.505 1.00 0.00 H new ATOM 0 HG LEU A 28 8.769 -8.979 4.206 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.433 -7.964 6.349 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.174 -7.011 5.529 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.746 -8.051 6.908 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.533 -10.412 6.059 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.850 -10.593 6.607 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.346 -11.244 5.027 1.00 0.00 H new ATOM 512 N PHE A 29 4.555 -9.339 2.388 1.00 0.00 N ATOM 513 CA PHE A 29 3.214 -9.091 1.874 1.00 0.00 C ATOM 514 C PHE A 29 2.649 -10.338 1.200 1.00 0.00 C ATOM 515 O PHE A 29 1.448 -10.598 1.256 1.00 0.00 O ATOM 516 CB PHE A 29 3.232 -7.926 0.882 1.00 0.00 C ATOM 517 CG PHE A 29 3.163 -6.578 1.540 1.00 0.00 C ATOM 518 CD1 PHE A 29 4.276 -6.040 2.165 1.00 0.00 C ATOM 519 CD2 PHE A 29 1.985 -5.848 1.532 1.00 0.00 C ATOM 520 CE1 PHE A 29 4.217 -4.799 2.770 1.00 0.00 C ATOM 521 CE2 PHE A 29 1.920 -4.607 2.136 1.00 0.00 C ATOM 522 CZ PHE A 29 3.036 -4.082 2.757 1.00 0.00 C ATOM 0 H PHE A 29 5.293 -8.822 1.909 1.00 0.00 H new ATOM 0 HA PHE A 29 2.572 -8.833 2.716 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.141 -7.983 0.283 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.391 -8.030 0.196 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.201 -6.597 2.180 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.108 -6.253 1.049 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.093 -4.390 3.252 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.996 -4.048 2.122 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.986 -3.113 3.231 1.00 0.00 H new ATOM 532 N SER A 30 3.528 -11.108 0.564 1.00 0.00 N ATOM 533 CA SER A 30 3.117 -12.326 -0.125 1.00 0.00 C ATOM 534 C SER A 30 2.513 -13.327 0.856 1.00 0.00 C ATOM 535 O SER A 30 1.615 -14.091 0.502 1.00 0.00 O ATOM 536 CB SER A 30 4.312 -12.957 -0.843 1.00 0.00 C ATOM 537 OG SER A 30 4.075 -14.327 -1.120 1.00 0.00 O ATOM 0 H SER A 30 4.527 -10.910 0.512 1.00 0.00 H new ATOM 0 HA SER A 30 2.358 -12.061 -0.861 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.505 -12.423 -1.773 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.205 -12.857 -0.226 1.00 0.00 H new ATOM 0 HG SER A 30 4.852 -14.707 -1.580 1.00 0.00 H new ATOM 543 N GLN A 31 3.012 -13.315 2.086 1.00 0.00 N ATOM 544 CA GLN A 31 2.523 -14.223 3.117 1.00 0.00 C ATOM 545 C GLN A 31 1.022 -14.052 3.324 1.00 0.00 C ATOM 546 O GLN A 31 0.309 -15.018 3.600 1.00 0.00 O ATOM 547 CB GLN A 31 3.262 -13.978 4.434 1.00 0.00 C ATOM 548 CG GLN A 31 4.753 -14.260 4.356 1.00 0.00 C ATOM 549 CD GLN A 31 5.354 -14.602 5.705 1.00 0.00 C ATOM 550 OE1 GLN A 31 5.810 -15.724 5.929 1.00 0.00 O ATOM 551 NE2 GLN A 31 5.359 -13.634 6.614 1.00 0.00 N ATOM 0 H GLN A 31 3.754 -12.687 2.394 1.00 0.00 H new ATOM 0 HA GLN A 31 2.712 -15.244 2.787 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.112 -12.942 4.738 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.822 -14.605 5.210 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.927 -15.085 3.665 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.263 -13.388 3.946 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.971 -12.719 6.386 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.751 -13.806 7.540 1.00 0.00 H new ATOM 560 N ILE A 32 0.547 -12.818 3.189 1.00 0.00 N ATOM 561 CA ILE A 32 -0.870 -12.522 3.360 1.00 0.00 C ATOM 562 C ILE A 32 -1.651 -12.816 2.083 1.00 0.00 C ATOM 563 O ILE A 32 -2.683 -13.485 2.116 1.00 0.00 O ATOM 564 CB ILE A 32 -1.093 -11.050 3.757 1.00 0.00 C ATOM 565 CG1 ILE A 32 -0.329 -10.725 5.042 1.00 0.00 C ATOM 566 CG2 ILE A 32 -2.578 -10.769 3.931 1.00 0.00 C ATOM 567 CD1 ILE A 32 -0.142 -9.242 5.274 1.00 0.00 C ATOM 0 H ILE A 32 1.123 -12.007 2.962 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.233 -13.166 4.161 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.713 -10.411 2.960 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.863 -11.153 5.891 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.649 -11.205 5.005 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.720 -9.725 4.211 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.098 -10.967 2.994 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.981 -11.413 4.713 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.407 -9.085 6.202 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.418 -8.812 4.444 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.117 -8.759 5.343 1.00 0.00 H new ATOM 579 N GLY A 33 -1.149 -12.313 0.960 1.00 0.00 N ATOM 580 CA GLY A 33 -1.813 -12.535 -0.312 1.00 0.00 C ATOM 581 C GLY A 33 -0.884 -12.329 -1.493 1.00 0.00 C ATOM 582 O GLY A 33 0.238 -11.842 -1.351 1.00 0.00 O ATOM 0 H GLY A 33 -0.296 -11.757 0.908 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.211 -13.549 -0.339 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.662 -11.857 -0.399 1.00 0.00 H new ATOM 586 N PRO A 34 -1.352 -12.706 -2.691 1.00 0.00 N ATOM 587 CA PRO A 34 -0.572 -12.571 -3.925 1.00 0.00 C ATOM 588 C PRO A 34 -0.395 -11.115 -4.343 1.00 0.00 C ATOM 589 O PRO A 34 -1.371 -10.377 -4.482 1.00 0.00 O ATOM 590 CB PRO A 34 -1.409 -13.328 -4.960 1.00 0.00 C ATOM 591 CG PRO A 34 -2.802 -13.270 -4.434 1.00 0.00 C ATOM 592 CD PRO A 34 -2.681 -13.294 -2.936 1.00 0.00 C ATOM 0 HA PRO A 34 0.440 -12.958 -3.811 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.337 -12.864 -5.944 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.069 -14.358 -5.068 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -3.308 -12.365 -4.770 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.390 -14.116 -4.792 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.471 -12.714 -2.460 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.750 -14.309 -2.544 1.00 0.00 H new ATOM 600 N CYS A 35 0.853 -10.709 -4.543 1.00 0.00 N ATOM 601 CA CYS A 35 1.157 -9.340 -4.945 1.00 0.00 C ATOM 602 C CYS A 35 1.323 -9.243 -6.458 1.00 0.00 C ATOM 603 O CYS A 35 2.249 -9.818 -7.031 1.00 0.00 O ATOM 604 CB CYS A 35 2.427 -8.851 -4.248 1.00 0.00 C ATOM 605 SG CYS A 35 2.296 -8.772 -2.446 1.00 0.00 S ATOM 0 H CYS A 35 1.671 -11.308 -4.434 1.00 0.00 H new ATOM 0 HA CYS A 35 0.322 -8.706 -4.647 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.252 -9.513 -4.513 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.678 -7.860 -4.627 1.00 0.00 H new ATOM 0 HG CYS A 35 1.042 -8.753 -2.102 1.00 0.00 H new ATOM 611 N LYS A 36 0.419 -8.512 -7.101 1.00 0.00 N ATOM 612 CA LYS A 36 0.463 -8.337 -8.548 1.00 0.00 C ATOM 613 C LYS A 36 1.824 -7.809 -8.991 1.00 0.00 C ATOM 614 O LYS A 36 2.454 -8.368 -9.887 1.00 0.00 O ATOM 615 CB LYS A 36 -0.640 -7.378 -9.001 1.00 0.00 C ATOM 616 CG LYS A 36 -1.009 -7.525 -10.467 1.00 0.00 C ATOM 617 CD LYS A 36 -1.861 -8.759 -10.709 1.00 0.00 C ATOM 618 CE LYS A 36 -2.521 -8.721 -12.078 1.00 0.00 C ATOM 619 NZ LYS A 36 -3.660 -9.677 -12.172 1.00 0.00 N ATOM 0 H LYS A 36 -0.354 -8.030 -6.642 1.00 0.00 H new ATOM 0 HA LYS A 36 0.302 -9.310 -9.011 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.529 -7.546 -8.393 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.317 -6.353 -8.817 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.550 -6.638 -10.797 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.101 -7.586 -11.067 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.241 -9.652 -10.627 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.627 -8.831 -9.937 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.877 -7.711 -12.282 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.783 -8.959 -12.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.595 -10.208 -13.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.624 -10.339 -11.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.557 -9.152 -12.147 1.00 0.00 H new ATOM 633 N SER A 37 2.269 -6.730 -8.356 1.00 0.00 N ATOM 634 CA SER A 37 3.554 -6.125 -8.687 1.00 0.00 C ATOM 635 C SER A 37 3.996 -5.155 -7.594 1.00 0.00 C ATOM 636 O SER A 37 3.170 -4.479 -6.979 1.00 0.00 O ATOM 637 CB SER A 37 3.468 -5.395 -10.028 1.00 0.00 C ATOM 638 OG SER A 37 4.733 -5.348 -10.666 1.00 0.00 O ATOM 0 H SER A 37 1.759 -6.257 -7.610 1.00 0.00 H new ATOM 0 HA SER A 37 4.294 -6.922 -8.762 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.750 -5.899 -10.675 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.099 -4.382 -9.871 1.00 0.00 H new ATOM 0 HG SER A 37 4.650 -4.878 -11.522 1.00 0.00 H new ATOM 644 N CYS A 38 5.301 -5.094 -7.359 1.00 0.00 N ATOM 645 CA CYS A 38 5.854 -4.208 -6.340 1.00 0.00 C ATOM 646 C CYS A 38 6.978 -3.353 -6.916 1.00 0.00 C ATOM 647 O CYS A 38 7.902 -3.865 -7.547 1.00 0.00 O ATOM 648 CB CYS A 38 6.371 -5.021 -5.153 1.00 0.00 C ATOM 649 SG CYS A 38 7.012 -4.017 -3.793 1.00 0.00 S ATOM 0 H CYS A 38 5.997 -5.647 -7.860 1.00 0.00 H new ATOM 0 HA CYS A 38 5.058 -3.547 -5.997 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.563 -5.649 -4.777 1.00 0.00 H new ATOM 0 HB3 CYS A 38 7.159 -5.689 -5.500 1.00 0.00 H new ATOM 0 HG CYS A 38 6.313 -2.926 -3.692 1.00 0.00 H new ATOM 655 N LYS A 39 6.892 -2.045 -6.695 1.00 0.00 N ATOM 656 CA LYS A 39 7.901 -1.117 -7.191 1.00 0.00 C ATOM 657 C LYS A 39 8.511 -0.315 -6.046 1.00 0.00 C ATOM 658 O LYS A 39 7.849 0.529 -5.444 1.00 0.00 O ATOM 659 CB LYS A 39 7.287 -0.168 -8.222 1.00 0.00 C ATOM 660 CG LYS A 39 8.237 0.922 -8.687 1.00 0.00 C ATOM 661 CD LYS A 39 7.487 2.172 -9.116 1.00 0.00 C ATOM 662 CE LYS A 39 7.102 2.114 -10.586 1.00 0.00 C ATOM 663 NZ LYS A 39 5.852 2.874 -10.862 1.00 0.00 N ATOM 0 H LYS A 39 6.133 -1.604 -6.175 1.00 0.00 H new ATOM 0 HA LYS A 39 8.691 -1.698 -7.666 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.960 -0.746 -9.086 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.398 0.295 -7.793 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.929 1.170 -7.882 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.836 0.553 -9.519 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.590 2.286 -8.508 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.108 3.050 -8.936 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.914 2.519 -11.190 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.969 1.075 -10.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.623 2.810 -11.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.071 2.472 -10.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.987 3.871 -10.600 1.00 0.00 H new ATOM 677 N MET A 40 9.780 -0.582 -5.753 1.00 0.00 N ATOM 678 CA MET A 40 10.481 0.117 -4.681 1.00 0.00 C ATOM 679 C MET A 40 11.175 1.366 -5.212 1.00 0.00 C ATOM 680 O MET A 40 12.044 1.283 -6.081 1.00 0.00 O ATOM 681 CB MET A 40 11.505 -0.810 -4.023 1.00 0.00 C ATOM 682 CG MET A 40 12.421 -0.100 -3.039 1.00 0.00 C ATOM 683 SD MET A 40 13.446 -1.245 -2.096 1.00 0.00 S ATOM 684 CE MET A 40 12.350 -1.638 -0.735 1.00 0.00 C ATOM 0 H MET A 40 10.344 -1.277 -6.243 1.00 0.00 H new ATOM 0 HA MET A 40 9.746 0.420 -3.936 1.00 0.00 H new ATOM 0 HB2 MET A 40 10.978 -1.611 -3.504 1.00 0.00 H new ATOM 0 HB3 MET A 40 12.111 -1.278 -4.799 1.00 0.00 H new ATOM 0 HG2 MET A 40 13.063 0.594 -3.582 1.00 0.00 H new ATOM 0 HG3 MET A 40 11.819 0.494 -2.351 1.00 0.00 H new ATOM 0 HE1 MET A 40 12.940 -1.862 0.154 1.00 0.00 H new ATOM 0 HE2 MET A 40 11.700 -0.787 -0.534 1.00 0.00 H new ATOM 0 HE3 MET A 40 11.743 -2.505 -0.996 1.00 0.00 H new ATOM 694 N ILE A 41 10.788 2.523 -4.685 1.00 0.00 N ATOM 695 CA ILE A 41 11.373 3.789 -5.106 1.00 0.00 C ATOM 696 C ILE A 41 12.247 4.384 -4.005 1.00 0.00 C ATOM 697 O ILE A 41 11.755 4.750 -2.937 1.00 0.00 O ATOM 698 CB ILE A 41 10.289 4.811 -5.493 1.00 0.00 C ATOM 699 CG1 ILE A 41 9.223 4.149 -6.368 1.00 0.00 C ATOM 700 CG2 ILE A 41 10.912 5.997 -6.215 1.00 0.00 C ATOM 701 CD1 ILE A 41 8.358 5.137 -7.120 1.00 0.00 C ATOM 0 H ILE A 41 10.071 2.609 -3.965 1.00 0.00 H new ATOM 0 HA ILE A 41 11.988 3.576 -5.981 1.00 0.00 H new ATOM 0 HB ILE A 41 9.812 5.174 -4.583 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.712 3.488 -7.084 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.586 3.525 -5.741 1.00 0.00 H new ATOM 0 HG21 ILE A 41 10.133 6.711 -6.482 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.638 6.480 -5.561 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.412 5.651 -7.119 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.625 4.597 -7.719 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.841 5.782 -6.410 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.984 5.745 -7.774 1.00 0.00 H new ATOM 810 N PRO A 49 12.891 6.022 1.991 1.00 0.00 N ATOM 811 CA PRO A 49 12.297 5.646 0.705 1.00 0.00 C ATOM 812 C PRO A 49 10.928 4.995 0.867 1.00 0.00 C ATOM 813 O PRO A 49 10.467 4.766 1.985 1.00 0.00 O ATOM 814 CB PRO A 49 13.301 4.644 0.130 1.00 0.00 C ATOM 815 CG PRO A 49 13.992 4.074 1.320 1.00 0.00 C ATOM 816 CD PRO A 49 14.052 5.183 2.334 1.00 0.00 C ATOM 0 HA PRO A 49 12.126 6.513 0.066 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.799 3.867 -0.446 1.00 0.00 H new ATOM 0 HB3 PRO A 49 14.007 5.132 -0.542 1.00 0.00 H new ATOM 0 HG2 PRO A 49 13.448 3.215 1.713 1.00 0.00 H new ATOM 0 HG3 PRO A 49 14.992 3.727 1.061 1.00 0.00 H new ATOM 0 HD2 PRO A 49 13.984 4.800 3.352 1.00 0.00 H new ATOM 0 HD3 PRO A 49 14.986 5.741 2.264 1.00 0.00 H new ATOM 824 N TYR A 50 10.283 4.698 -0.256 1.00 0.00 N ATOM 825 CA TYR A 50 8.965 4.074 -0.239 1.00 0.00 C ATOM 826 C TYR A 50 8.800 3.116 -1.415 1.00 0.00 C ATOM 827 O TYR A 50 9.490 3.236 -2.429 1.00 0.00 O ATOM 828 CB TYR A 50 7.871 5.143 -0.280 1.00 0.00 C ATOM 829 CG TYR A 50 7.842 5.930 -1.569 1.00 0.00 C ATOM 830 CD1 TYR A 50 8.598 7.086 -1.718 1.00 0.00 C ATOM 831 CD2 TYR A 50 7.057 5.519 -2.639 1.00 0.00 C ATOM 832 CE1 TYR A 50 8.575 7.810 -2.894 1.00 0.00 C ATOM 833 CE2 TYR A 50 7.027 6.236 -3.820 1.00 0.00 C ATOM 834 CZ TYR A 50 7.787 7.380 -3.943 1.00 0.00 C ATOM 835 OH TYR A 50 7.760 8.098 -5.117 1.00 0.00 O ATOM 0 H TYR A 50 10.652 4.879 -1.190 1.00 0.00 H new ATOM 0 HA TYR A 50 8.873 3.504 0.686 1.00 0.00 H new ATOM 0 HB2 TYR A 50 6.902 4.665 -0.134 1.00 0.00 H new ATOM 0 HB3 TYR A 50 8.016 5.831 0.553 1.00 0.00 H new ATOM 0 HD1 TYR A 50 9.215 7.425 -0.899 1.00 0.00 H new ATOM 0 HD2 TYR A 50 6.460 4.624 -2.546 1.00 0.00 H new ATOM 0 HE1 TYR A 50 9.169 8.706 -2.992 1.00 0.00 H new ATOM 0 HE2 TYR A 50 6.412 5.902 -4.642 1.00 0.00 H new ATOM 0 HH TYR A 50 8.623 8.544 -5.247 1.00 0.00 H new ATOM 845 N CYS A 51 7.881 2.168 -1.272 1.00 0.00 N ATOM 846 CA CYS A 51 7.624 1.188 -2.322 1.00 0.00 C ATOM 847 C CYS A 51 6.127 0.949 -2.487 1.00 0.00 C ATOM 848 O CYS A 51 5.350 1.134 -1.548 1.00 0.00 O ATOM 849 CB CYS A 51 8.332 -0.129 -2.004 1.00 0.00 C ATOM 850 SG CYS A 51 7.523 -1.110 -0.718 1.00 0.00 S ATOM 0 H CYS A 51 7.302 2.057 -0.440 1.00 0.00 H new ATOM 0 HA CYS A 51 8.015 1.584 -3.259 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.395 -0.725 -2.915 1.00 0.00 H new ATOM 0 HB3 CYS A 51 9.354 0.086 -1.693 1.00 0.00 H new ATOM 0 HG CYS A 51 6.656 -1.911 -1.264 1.00 0.00 H new ATOM 856 N PHE A 52 5.727 0.536 -3.684 1.00 0.00 N ATOM 857 CA PHE A 52 4.322 0.272 -3.973 1.00 0.00 C ATOM 858 C PHE A 52 4.043 -1.227 -3.999 1.00 0.00 C ATOM 859 O PHE A 52 4.878 -2.017 -4.441 1.00 0.00 O ATOM 860 CB PHE A 52 3.929 0.900 -5.313 1.00 0.00 C ATOM 861 CG PHE A 52 3.988 2.400 -5.313 1.00 0.00 C ATOM 862 CD1 PHE A 52 3.167 3.139 -4.476 1.00 0.00 C ATOM 863 CD2 PHE A 52 4.865 3.073 -6.148 1.00 0.00 C ATOM 864 CE1 PHE A 52 3.218 4.521 -4.475 1.00 0.00 C ATOM 865 CE2 PHE A 52 4.922 4.454 -6.150 1.00 0.00 C ATOM 866 CZ PHE A 52 4.098 5.178 -5.312 1.00 0.00 C ATOM 0 H PHE A 52 6.356 0.377 -4.471 1.00 0.00 H new ATOM 0 HA PHE A 52 3.723 0.720 -3.180 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.590 0.519 -6.091 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.918 0.584 -5.570 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.479 2.630 -3.817 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.512 2.512 -6.806 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.570 5.086 -3.821 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.610 4.966 -6.806 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.142 6.257 -5.311 1.00 0.00 H new ATOM 876 N VAL A 53 2.864 -1.613 -3.524 1.00 0.00 N ATOM 877 CA VAL A 53 2.474 -3.017 -3.493 1.00 0.00 C ATOM 878 C VAL A 53 1.050 -3.204 -4.006 1.00 0.00 C ATOM 879 O VAL A 53 0.095 -2.708 -3.410 1.00 0.00 O ATOM 880 CB VAL A 53 2.574 -3.596 -2.070 1.00 0.00 C ATOM 881 CG1 VAL A 53 2.170 -5.062 -2.060 1.00 0.00 C ATOM 882 CG2 VAL A 53 3.982 -3.420 -1.522 1.00 0.00 C ATOM 0 H VAL A 53 2.161 -0.972 -3.155 1.00 0.00 H new ATOM 0 HA VAL A 53 3.165 -3.551 -4.145 1.00 0.00 H new ATOM 0 HB VAL A 53 1.886 -3.050 -1.425 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.247 -5.454 -1.046 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.142 -5.158 -2.409 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.831 -5.626 -2.718 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.035 -3.835 -0.515 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.691 -3.940 -2.166 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.230 -2.359 -1.491 1.00 0.00 H new ATOM 892 N GLU A 54 0.917 -3.923 -5.116 1.00 0.00 N ATOM 893 CA GLU A 54 -0.392 -4.175 -5.710 1.00 0.00 C ATOM 894 C GLU A 54 -0.810 -5.629 -5.508 1.00 0.00 C ATOM 895 O GLU A 54 -0.006 -6.546 -5.671 1.00 0.00 O ATOM 896 CB GLU A 54 -0.371 -3.841 -7.203 1.00 0.00 C ATOM 897 CG GLU A 54 -1.740 -3.910 -7.860 1.00 0.00 C ATOM 898 CD GLU A 54 -1.662 -3.876 -9.375 1.00 0.00 C ATOM 899 OE1 GLU A 54 -0.745 -4.512 -9.935 1.00 0.00 O ATOM 900 OE2 GLU A 54 -2.516 -3.213 -9.998 1.00 0.00 O ATOM 0 H GLU A 54 1.698 -4.341 -5.622 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.119 -3.534 -5.212 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.037 -2.839 -7.337 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.302 -4.531 -7.712 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.244 -4.824 -7.546 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.348 -3.075 -7.512 1.00 0.00 H new ATOM 907 N PHE A 55 -2.074 -5.830 -5.151 1.00 0.00 N ATOM 908 CA PHE A 55 -2.600 -7.170 -4.925 1.00 0.00 C ATOM 909 C PHE A 55 -3.590 -7.558 -6.020 1.00 0.00 C ATOM 910 O PHE A 55 -4.147 -6.697 -6.701 1.00 0.00 O ATOM 911 CB PHE A 55 -3.279 -7.250 -3.556 1.00 0.00 C ATOM 912 CG PHE A 55 -2.318 -7.458 -2.421 1.00 0.00 C ATOM 913 CD1 PHE A 55 -1.958 -8.736 -2.025 1.00 0.00 C ATOM 914 CD2 PHE A 55 -1.773 -6.375 -1.750 1.00 0.00 C ATOM 915 CE1 PHE A 55 -1.072 -8.930 -0.981 1.00 0.00 C ATOM 916 CE2 PHE A 55 -0.888 -6.562 -0.706 1.00 0.00 C ATOM 917 CZ PHE A 55 -0.538 -7.842 -0.320 1.00 0.00 C ATOM 0 H PHE A 55 -2.753 -5.081 -5.012 1.00 0.00 H new ATOM 0 HA PHE A 55 -1.765 -7.870 -4.950 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.839 -6.331 -3.383 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.001 -8.067 -3.565 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.374 -9.591 -2.538 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.043 -5.372 -2.047 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.798 -9.931 -0.683 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.470 -5.709 -0.192 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.152 -7.991 0.497 1.00 0.00 H new ATOM 927 N TYR A 56 -3.803 -8.859 -6.182 1.00 0.00 N ATOM 928 CA TYR A 56 -4.723 -9.362 -7.195 1.00 0.00 C ATOM 929 C TYR A 56 -6.168 -9.036 -6.830 1.00 0.00 C ATOM 930 O TYR A 56 -6.962 -8.644 -7.685 1.00 0.00 O ATOM 931 CB TYR A 56 -4.556 -10.874 -7.361 1.00 0.00 C ATOM 932 CG TYR A 56 -3.399 -11.261 -8.254 1.00 0.00 C ATOM 933 CD1 TYR A 56 -2.101 -11.310 -7.762 1.00 0.00 C ATOM 934 CD2 TYR A 56 -3.605 -11.580 -9.591 1.00 0.00 C ATOM 935 CE1 TYR A 56 -1.041 -11.662 -8.575 1.00 0.00 C ATOM 936 CE2 TYR A 56 -2.552 -11.936 -10.411 1.00 0.00 C ATOM 937 CZ TYR A 56 -1.273 -11.975 -9.899 1.00 0.00 C ATOM 938 OH TYR A 56 -0.219 -12.328 -10.712 1.00 0.00 O ATOM 0 H TYR A 56 -3.351 -9.584 -5.625 1.00 0.00 H new ATOM 0 HA TYR A 56 -4.486 -8.871 -8.139 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.413 -11.325 -6.379 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -5.476 -11.290 -7.772 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -1.917 -11.069 -6.725 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -4.606 -11.549 -9.996 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -0.037 -11.692 -8.177 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.730 -12.182 -11.447 1.00 0.00 H new ATOM 0 HH TYR A 56 -0.551 -12.519 -11.614 1.00 0.00 H new ATOM 948 N GLU A 57 -6.500 -9.200 -5.554 1.00 0.00 N ATOM 949 CA GLU A 57 -7.850 -8.923 -5.075 1.00 0.00 C ATOM 950 C GLU A 57 -7.852 -7.737 -4.115 1.00 0.00 C ATOM 951 O GLU A 57 -6.830 -7.409 -3.511 1.00 0.00 O ATOM 952 CB GLU A 57 -8.431 -10.156 -4.380 1.00 0.00 C ATOM 953 CG GLU A 57 -8.452 -11.395 -5.259 1.00 0.00 C ATOM 954 CD GLU A 57 -9.722 -11.507 -6.080 1.00 0.00 C ATOM 955 OE1 GLU A 57 -10.819 -11.487 -5.486 1.00 0.00 O ATOM 956 OE2 GLU A 57 -9.617 -11.612 -7.321 1.00 0.00 O ATOM 0 H GLU A 57 -5.854 -9.523 -4.834 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.470 -8.674 -5.936 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.848 -10.366 -3.484 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.447 -9.934 -4.054 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.592 -11.376 -5.928 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.349 -12.282 -4.633 1.00 0.00 H new ATOM 963 N HIS A 58 -9.009 -7.097 -3.979 1.00 0.00 N ATOM 964 CA HIS A 58 -9.147 -5.946 -3.093 1.00 0.00 C ATOM 965 C HIS A 58 -9.131 -6.381 -1.630 1.00 0.00 C ATOM 966 O HIS A 58 -8.584 -5.689 -0.772 1.00 0.00 O ATOM 967 CB HIS A 58 -10.442 -5.192 -3.399 1.00 0.00 C ATOM 968 CG HIS A 58 -10.907 -4.320 -2.273 1.00 0.00 C ATOM 969 ND1 HIS A 58 -10.281 -3.143 -1.924 1.00 0.00 N ATOM 970 CD2 HIS A 58 -11.946 -4.461 -1.417 1.00 0.00 C ATOM 971 CE1 HIS A 58 -10.914 -2.597 -0.901 1.00 0.00 C ATOM 972 NE2 HIS A 58 -11.928 -3.376 -0.574 1.00 0.00 N ATOM 0 H HIS A 58 -9.864 -7.356 -4.471 1.00 0.00 H new ATOM 0 HA HIS A 58 -8.300 -5.282 -3.266 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -10.294 -4.577 -4.287 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -11.225 -5.912 -3.637 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -9.458 -2.754 -2.384 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -12.656 -5.274 -1.400 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -10.647 -1.670 -0.415 1.00 0.00 H new ATOM 980 N ARG A 59 -9.735 -7.532 -1.355 1.00 0.00 N ATOM 981 CA ARG A 59 -9.792 -8.059 0.004 1.00 0.00 C ATOM 982 C ARG A 59 -8.388 -8.288 0.557 1.00 0.00 C ATOM 983 O ARG A 59 -8.115 -7.999 1.722 1.00 0.00 O ATOM 984 CB ARG A 59 -10.582 -9.368 0.034 1.00 0.00 C ATOM 985 CG ARG A 59 -9.818 -10.555 -0.530 1.00 0.00 C ATOM 986 CD ARG A 59 -10.574 -11.857 -0.318 1.00 0.00 C ATOM 987 NE ARG A 59 -11.773 -11.935 -1.148 1.00 0.00 N ATOM 988 CZ ARG A 59 -12.386 -13.075 -1.446 1.00 0.00 C ATOM 989 NH1 ARG A 59 -11.916 -14.226 -0.985 1.00 0.00 N ATOM 990 NH2 ARG A 59 -13.473 -13.066 -2.208 1.00 0.00 N ATOM 0 H ARG A 59 -10.192 -8.118 -2.054 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.296 -7.324 0.631 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -10.867 -9.586 1.063 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.504 -9.239 -0.532 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.644 -10.404 -1.595 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.840 -10.619 -0.053 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -9.919 -12.698 -0.547 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.853 -11.947 0.732 1.00 0.00 H new ATOM 0 HE ARG A 59 -12.161 -11.067 -1.519 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -11.081 -14.238 -0.399 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -12.390 -15.099 -1.216 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -13.838 -12.183 -2.565 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -13.943 -13.942 -2.436 1.00 0.00 H new ATOM 1004 N ASP A 60 -7.503 -8.808 -0.286 1.00 0.00 N ATOM 1005 CA ASP A 60 -6.128 -9.075 0.119 1.00 0.00 C ATOM 1006 C ASP A 60 -5.388 -7.775 0.419 1.00 0.00 C ATOM 1007 O ASP A 60 -4.670 -7.673 1.414 1.00 0.00 O ATOM 1008 CB ASP A 60 -5.394 -9.852 -0.975 1.00 0.00 C ATOM 1009 CG ASP A 60 -5.852 -11.295 -1.066 1.00 0.00 C ATOM 1010 OD1 ASP A 60 -6.839 -11.560 -1.785 1.00 0.00 O ATOM 1011 OD2 ASP A 60 -5.224 -12.159 -0.420 1.00 0.00 O ATOM 0 H ASP A 60 -7.713 -9.053 -1.254 1.00 0.00 H new ATOM 0 HA ASP A 60 -6.153 -9.677 1.028 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.554 -9.362 -1.935 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.322 -9.826 -0.779 1.00 0.00 H new ATOM 1016 N ALA A 61 -5.565 -6.785 -0.449 1.00 0.00 N ATOM 1017 CA ALA A 61 -4.916 -5.491 -0.274 1.00 0.00 C ATOM 1018 C ALA A 61 -5.271 -4.874 1.073 1.00 0.00 C ATOM 1019 O ALA A 61 -4.415 -4.314 1.756 1.00 0.00 O ATOM 1020 CB ALA A 61 -5.302 -4.551 -1.407 1.00 0.00 C ATOM 0 H ALA A 61 -6.152 -6.854 -1.280 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.838 -5.647 -0.297 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.811 -3.588 -1.264 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.989 -4.981 -2.359 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.383 -4.410 -1.410 1.00 0.00 H new ATOM 1026 N ALA A 62 -6.542 -4.981 1.451 1.00 0.00 N ATOM 1027 CA ALA A 62 -7.010 -4.436 2.718 1.00 0.00 C ATOM 1028 C ALA A 62 -6.441 -5.217 3.898 1.00 0.00 C ATOM 1029 O ALA A 62 -6.102 -4.641 4.931 1.00 0.00 O ATOM 1030 CB ALA A 62 -8.531 -4.439 2.765 1.00 0.00 C ATOM 0 H ALA A 62 -7.265 -5.440 0.897 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.657 -3.408 2.794 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.866 -4.029 3.718 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.921 -3.829 1.950 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -8.896 -5.461 2.661 1.00 0.00 H new ATOM 1036 N ALA A 63 -6.338 -6.532 3.735 1.00 0.00 N ATOM 1037 CA ALA A 63 -5.809 -7.392 4.786 1.00 0.00 C ATOM 1038 C ALA A 63 -4.326 -7.126 5.019 1.00 0.00 C ATOM 1039 O ALA A 63 -3.879 -7.004 6.159 1.00 0.00 O ATOM 1040 CB ALA A 63 -6.036 -8.855 4.435 1.00 0.00 C ATOM 0 H ALA A 63 -6.614 -7.025 2.885 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.341 -7.164 5.710 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.636 -9.486 5.229 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.104 -9.042 4.327 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.530 -9.087 3.498 1.00 0.00 H new ATOM 1046 N ALA A 64 -3.568 -7.035 3.930 1.00 0.00 N ATOM 1047 CA ALA A 64 -2.135 -6.782 4.017 1.00 0.00 C ATOM 1048 C ALA A 64 -1.856 -5.338 4.419 1.00 0.00 C ATOM 1049 O ALA A 64 -0.885 -5.055 5.120 1.00 0.00 O ATOM 1050 CB ALA A 64 -1.463 -7.102 2.690 1.00 0.00 C ATOM 0 H ALA A 64 -3.923 -7.133 2.979 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.721 -7.432 4.788 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.393 -6.909 2.768 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.625 -8.151 2.444 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.889 -6.475 1.906 1.00 0.00 H new ATOM 1056 N LEU A 65 -2.714 -4.428 3.970 1.00 0.00 N ATOM 1057 CA LEU A 65 -2.559 -3.012 4.284 1.00 0.00 C ATOM 1058 C LEU A 65 -2.621 -2.777 5.790 1.00 0.00 C ATOM 1059 O LEU A 65 -1.746 -2.132 6.364 1.00 0.00 O ATOM 1060 CB LEU A 65 -3.645 -2.193 3.583 1.00 0.00 C ATOM 1061 CG LEU A 65 -3.836 -0.761 4.086 1.00 0.00 C ATOM 1062 CD1 LEU A 65 -2.778 0.158 3.493 1.00 0.00 C ATOM 1063 CD2 LEU A 65 -5.231 -0.258 3.749 1.00 0.00 C ATOM 0 H LEU A 65 -3.523 -4.645 3.388 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.581 -2.691 3.926 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.413 -2.155 2.519 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.593 -2.722 3.684 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.724 -0.759 5.170 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.929 1.173 3.862 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.788 -0.191 3.786 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.858 0.151 2.406 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.348 0.762 4.115 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.373 -0.275 2.668 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.974 -0.901 4.222 1.00 0.00 H new ATOM 1075 N ALA A 66 -3.660 -3.308 6.424 1.00 0.00 N ATOM 1076 CA ALA A 66 -3.835 -3.161 7.864 1.00 0.00 C ATOM 1077 C ALA A 66 -2.765 -3.933 8.628 1.00 0.00 C ATOM 1078 O ALA A 66 -2.218 -3.442 9.615 1.00 0.00 O ATOM 1079 CB ALA A 66 -5.222 -3.627 8.279 1.00 0.00 C ATOM 0 H ALA A 66 -4.395 -3.845 5.963 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.731 -2.105 8.111 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.337 -3.511 9.357 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.975 -3.028 7.767 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.349 -4.676 8.011 1.00 0.00 H new ATOM 1085 N ALA A 67 -2.472 -5.145 8.166 1.00 0.00 N ATOM 1086 CA ALA A 67 -1.466 -5.984 8.805 1.00 0.00 C ATOM 1087 C ALA A 67 -0.075 -5.375 8.667 1.00 0.00 C ATOM 1088 O ALA A 67 0.750 -5.480 9.574 1.00 0.00 O ATOM 1089 CB ALA A 67 -1.493 -7.384 8.212 1.00 0.00 C ATOM 0 H ALA A 67 -2.918 -5.567 7.351 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.702 -6.047 9.867 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.737 -8.000 8.698 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.477 -7.826 8.368 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.285 -7.331 7.143 1.00 0.00 H new ATOM 1095 N MET A 68 0.177 -4.739 7.528 1.00 0.00 N ATOM 1096 CA MET A 68 1.470 -4.113 7.274 1.00 0.00 C ATOM 1097 C MET A 68 1.450 -2.642 7.676 1.00 0.00 C ATOM 1098 O MET A 68 2.496 -2.004 7.780 1.00 0.00 O ATOM 1099 CB MET A 68 1.840 -4.244 5.795 1.00 0.00 C ATOM 1100 CG MET A 68 1.954 -5.684 5.321 1.00 0.00 C ATOM 1101 SD MET A 68 3.167 -6.629 6.262 1.00 0.00 S ATOM 1102 CE MET A 68 4.606 -5.574 6.118 1.00 0.00 C ATOM 0 H MET A 68 -0.495 -4.643 6.767 1.00 0.00 H new ATOM 0 HA MET A 68 2.220 -4.626 7.877 1.00 0.00 H new ATOM 0 HB2 MET A 68 1.089 -3.731 5.194 1.00 0.00 H new ATOM 0 HB3 MET A 68 2.789 -3.737 5.620 1.00 0.00 H new ATOM 0 HG2 MET A 68 0.980 -6.167 5.402 1.00 0.00 H new ATOM 0 HG3 MET A 68 2.229 -5.695 4.266 1.00 0.00 H new ATOM 0 HE1 MET A 68 5.500 -6.190 6.023 1.00 0.00 H new ATOM 0 HE2 MET A 68 4.506 -4.940 5.237 1.00 0.00 H new ATOM 0 HE3 MET A 68 4.689 -4.949 7.007 1.00 0.00 H new ATOM 1112 N ASN A 69 0.254 -2.111 7.904 1.00 0.00 N ATOM 1113 CA ASN A 69 0.098 -0.715 8.295 1.00 0.00 C ATOM 1114 C ASN A 69 0.827 -0.433 9.605 1.00 0.00 C ATOM 1115 O ASN A 69 0.334 -0.759 10.685 1.00 0.00 O ATOM 1116 CB ASN A 69 -1.384 -0.365 8.438 1.00 0.00 C ATOM 1117 CG ASN A 69 -1.613 0.824 9.351 1.00 0.00 C ATOM 1118 OD1 ASN A 69 -1.999 0.666 10.510 1.00 0.00 O ATOM 1119 ND2 ASN A 69 -1.373 2.023 8.833 1.00 0.00 N ATOM 0 H ASN A 69 -0.622 -2.627 7.825 1.00 0.00 H new ATOM 0 HA ASN A 69 0.537 -0.094 7.514 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -1.800 -0.149 7.454 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -1.922 -1.229 8.829 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -1.507 2.860 9.400 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -1.054 2.107 7.868 1.00 0.00 H new ATOM 1126 N GLY A 70 2.005 0.175 9.502 1.00 0.00 N ATOM 1127 CA GLY A 70 2.783 0.491 10.687 1.00 0.00 C ATOM 1128 C GLY A 70 3.390 -0.741 11.328 1.00 0.00 C ATOM 1129 O GLY A 70 3.482 -0.831 12.553 1.00 0.00 O ATOM 0 H GLY A 70 2.435 0.454 8.620 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.578 1.187 10.421 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.146 0.997 11.412 1.00 0.00 H new ATOM 1133 N ARG A 71 3.802 -1.695 10.499 1.00 0.00 N ATOM 1134 CA ARG A 71 4.401 -2.930 10.992 1.00 0.00 C ATOM 1135 C ARG A 71 5.897 -2.751 11.231 1.00 0.00 C ATOM 1136 O ARG A 71 6.567 -2.006 10.515 1.00 0.00 O ATOM 1137 CB ARG A 71 4.165 -4.069 9.999 1.00 0.00 C ATOM 1138 CG ARG A 71 4.139 -5.444 10.644 1.00 0.00 C ATOM 1139 CD ARG A 71 4.630 -6.519 9.686 1.00 0.00 C ATOM 1140 NE ARG A 71 4.012 -7.814 9.952 1.00 0.00 N ATOM 1141 CZ ARG A 71 4.393 -8.622 10.935 1.00 0.00 C ATOM 1142 NH1 ARG A 71 5.386 -8.271 11.739 1.00 0.00 N ATOM 1143 NH2 ARG A 71 3.781 -9.787 11.114 1.00 0.00 N ATOM 0 H ARG A 71 3.732 -1.636 9.483 1.00 0.00 H new ATOM 0 HA ARG A 71 3.926 -3.181 11.941 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.219 -3.901 9.484 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.948 -4.047 9.241 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.763 -5.439 11.538 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.124 -5.677 10.965 1.00 0.00 H new ATOM 0 HD2 ARG A 71 4.413 -6.218 8.661 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.713 -6.611 9.769 1.00 0.00 H new ATOM 0 HE ARG A 71 3.246 -8.115 9.350 1.00 0.00 H new ATOM 0 HH11 ARG A 71 5.860 -7.378 11.604 1.00 0.00 H new ATOM 0 HH12 ARG A 71 5.676 -8.894 12.493 1.00 0.00 H new ATOM 0 HH21 ARG A 71 3.017 -10.062 10.496 1.00 0.00 H new ATOM 0 HH22 ARG A 71 4.075 -10.407 11.869 1.00 0.00 H new ATOM 1157 N LYS A 72 6.417 -3.439 12.243 1.00 0.00 N ATOM 1158 CA LYS A 72 7.834 -3.358 12.577 1.00 0.00 C ATOM 1159 C LYS A 72 8.661 -4.254 11.661 1.00 0.00 C ATOM 1160 O LYS A 72 8.530 -5.478 11.692 1.00 0.00 O ATOM 1161 CB LYS A 72 8.058 -3.757 14.037 1.00 0.00 C ATOM 1162 CG LYS A 72 7.958 -2.593 15.008 1.00 0.00 C ATOM 1163 CD LYS A 72 9.321 -1.983 15.289 1.00 0.00 C ATOM 1164 CE LYS A 72 9.893 -1.303 14.055 1.00 0.00 C ATOM 1165 NZ LYS A 72 10.683 -2.248 13.217 1.00 0.00 N ATOM 0 H LYS A 72 5.877 -4.059 12.846 1.00 0.00 H new ATOM 0 HA LYS A 72 8.157 -2.327 12.435 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.325 -4.515 14.314 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.042 -4.216 14.133 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.295 -1.831 14.597 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.512 -2.934 15.942 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.236 -1.258 16.099 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.006 -2.760 15.628 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.080 -0.884 13.462 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.527 -0.471 14.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.668 -1.930 12.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.666 -2.275 13.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.268 -3.199 13.281 1.00 0.00 H new ATOM 1179 N ILE A 73 9.512 -3.638 10.849 1.00 0.00 N ATOM 1180 CA ILE A 73 10.362 -4.381 9.927 1.00 0.00 C ATOM 1181 C ILE A 73 11.799 -3.874 9.974 1.00 0.00 C ATOM 1182 O ILE A 73 12.063 -2.698 9.714 1.00 0.00 O ATOM 1183 CB ILE A 73 9.842 -4.285 8.480 1.00 0.00 C ATOM 1184 CG1 ILE A 73 8.401 -4.792 8.398 1.00 0.00 C ATOM 1185 CG2 ILE A 73 10.741 -5.076 7.541 1.00 0.00 C ATOM 1186 CD1 ILE A 73 7.697 -4.407 7.116 1.00 0.00 C ATOM 0 H ILE A 73 9.632 -2.626 10.810 1.00 0.00 H new ATOM 0 HA ILE A 73 10.337 -5.423 10.245 1.00 0.00 H new ATOM 0 HB ILE A 73 9.858 -3.239 8.173 1.00 0.00 H new ATOM 0 HG12 ILE A 73 8.401 -5.878 8.491 1.00 0.00 H new ATOM 0 HG13 ILE A 73 7.838 -4.399 9.244 1.00 0.00 H new ATOM 0 HG21 ILE A 73 10.361 -4.999 6.522 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.753 -4.674 7.582 1.00 0.00 H new ATOM 0 HG23 ILE A 73 10.754 -6.123 7.845 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.680 -4.800 7.127 1.00 0.00 H new ATOM 0 HD12 ILE A 73 7.665 -3.321 7.030 1.00 0.00 H new ATOM 0 HD13 ILE A 73 8.237 -4.822 6.265 1.00 0.00 H new ATOM 1198 N LEU A 74 12.725 -4.766 10.305 1.00 0.00 N ATOM 1199 CA LEU A 74 14.138 -4.410 10.383 1.00 0.00 C ATOM 1200 C LEU A 74 14.367 -3.316 11.421 1.00 0.00 C ATOM 1201 O LEU A 74 15.194 -2.427 11.228 1.00 0.00 O ATOM 1202 CB LEU A 74 14.644 -3.946 9.016 1.00 0.00 C ATOM 1203 CG LEU A 74 14.528 -4.960 7.878 1.00 0.00 C ATOM 1204 CD1 LEU A 74 14.994 -4.347 6.566 1.00 0.00 C ATOM 1205 CD2 LEU A 74 15.328 -6.215 8.196 1.00 0.00 C ATOM 0 H LEU A 74 12.523 -5.742 10.524 1.00 0.00 H new ATOM 0 HA LEU A 74 14.694 -5.297 10.687 1.00 0.00 H new ATOM 0 HB2 LEU A 74 14.095 -3.048 8.733 1.00 0.00 H new ATOM 0 HB3 LEU A 74 15.691 -3.661 9.116 1.00 0.00 H new ATOM 0 HG LEU A 74 13.480 -5.239 7.773 1.00 0.00 H new ATOM 0 HD11 LEU A 74 14.904 -5.084 5.768 1.00 0.00 H new ATOM 0 HD12 LEU A 74 14.377 -3.480 6.330 1.00 0.00 H new ATOM 0 HD13 LEU A 74 16.035 -4.038 6.658 1.00 0.00 H new ATOM 0 HD21 LEU A 74 15.233 -6.925 7.374 1.00 0.00 H new ATOM 0 HD22 LEU A 74 16.378 -5.953 8.330 1.00 0.00 H new ATOM 0 HD23 LEU A 74 14.947 -6.667 9.112 1.00 0.00 H new ATOM 1217 N GLY A 75 13.629 -3.391 12.525 1.00 0.00 N ATOM 1218 CA GLY A 75 13.767 -2.403 13.579 1.00 0.00 C ATOM 1219 C GLY A 75 13.149 -1.069 13.207 1.00 0.00 C ATOM 1220 O GLY A 75 13.077 -0.158 14.033 1.00 0.00 O ATOM 0 H GLY A 75 12.938 -4.119 12.708 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.296 -2.777 14.488 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.824 -2.260 13.803 1.00 0.00 H new ATOM 1224 N LYS A 76 12.705 -0.952 11.960 1.00 0.00 N ATOM 1225 CA LYS A 76 12.090 0.280 11.480 1.00 0.00 C ATOM 1226 C LYS A 76 10.624 0.054 11.126 1.00 0.00 C ATOM 1227 O LYS A 76 10.303 -0.773 10.273 1.00 0.00 O ATOM 1228 CB LYS A 76 12.846 0.808 10.258 1.00 0.00 C ATOM 1229 CG LYS A 76 12.779 2.319 10.109 1.00 0.00 C ATOM 1230 CD LYS A 76 13.838 2.830 9.146 1.00 0.00 C ATOM 1231 CE LYS A 76 14.285 4.238 9.507 1.00 0.00 C ATOM 1232 NZ LYS A 76 15.154 4.252 10.717 1.00 0.00 N ATOM 0 H LYS A 76 12.760 -1.695 11.264 1.00 0.00 H new ATOM 0 HA LYS A 76 12.142 1.019 12.280 1.00 0.00 H new ATOM 0 HB2 LYS A 76 13.890 0.504 10.328 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.438 0.344 9.360 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.791 2.607 9.751 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.915 2.788 11.083 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.697 2.160 9.159 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.442 2.822 8.130 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.826 4.674 8.667 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.409 4.863 9.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 15.626 5.175 10.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 14.573 4.088 11.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 15.870 3.502 10.639 1.00 0.00 H new ATOM 1246 N GLU A 77 9.739 0.797 11.783 1.00 0.00 N ATOM 1247 CA GLU A 77 8.307 0.677 11.536 1.00 0.00 C ATOM 1248 C GLU A 77 7.944 1.231 10.161 1.00 0.00 C ATOM 1249 O GLU A 77 8.246 2.381 9.843 1.00 0.00 O ATOM 1250 CB GLU A 77 7.516 1.413 12.619 1.00 0.00 C ATOM 1251 CG GLU A 77 6.153 0.804 12.899 1.00 0.00 C ATOM 1252 CD GLU A 77 5.235 1.746 13.653 1.00 0.00 C ATOM 1253 OE1 GLU A 77 5.372 1.843 14.890 1.00 0.00 O ATOM 1254 OE2 GLU A 77 4.381 2.388 13.005 1.00 0.00 O ATOM 0 H GLU A 77 9.989 1.488 12.490 1.00 0.00 H new ATOM 0 HA GLU A 77 8.047 -0.381 11.563 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.098 1.419 13.541 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.385 2.452 12.318 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.684 0.524 11.956 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.280 -0.112 13.476 1.00 0.00 H new ATOM 1261 N VAL A 78 7.295 0.402 9.349 1.00 0.00 N ATOM 1262 CA VAL A 78 6.890 0.807 8.008 1.00 0.00 C ATOM 1263 C VAL A 78 5.417 1.196 7.973 1.00 0.00 C ATOM 1264 O VAL A 78 4.572 0.524 8.564 1.00 0.00 O ATOM 1265 CB VAL A 78 7.138 -0.316 6.984 1.00 0.00 C ATOM 1266 CG1 VAL A 78 8.460 -1.014 7.266 1.00 0.00 C ATOM 1267 CG2 VAL A 78 5.988 -1.310 6.994 1.00 0.00 C ATOM 0 H VAL A 78 7.039 -0.554 9.596 1.00 0.00 H new ATOM 0 HA VAL A 78 7.497 1.672 7.741 1.00 0.00 H new ATOM 0 HB VAL A 78 7.194 0.129 5.990 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.618 -1.804 6.532 1.00 0.00 H new ATOM 0 HG12 VAL A 78 9.274 -0.292 7.202 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.437 -1.447 8.266 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.180 -2.096 6.264 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.897 -1.751 7.987 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.061 -0.797 6.738 1.00 0.00 H new ATOM 1277 N LYS A 79 5.115 2.285 7.275 1.00 0.00 N ATOM 1278 CA LYS A 79 3.742 2.764 7.160 1.00 0.00 C ATOM 1279 C LYS A 79 3.114 2.304 5.848 1.00 0.00 C ATOM 1280 O LYS A 79 3.736 2.380 4.789 1.00 0.00 O ATOM 1281 CB LYS A 79 3.705 4.292 7.247 1.00 0.00 C ATOM 1282 CG LYS A 79 4.318 4.985 6.042 1.00 0.00 C ATOM 1283 CD LYS A 79 4.063 6.483 6.071 1.00 0.00 C ATOM 1284 CE LYS A 79 2.705 6.829 5.479 1.00 0.00 C ATOM 1285 NZ LYS A 79 1.609 6.670 6.476 1.00 0.00 N ATOM 0 H LYS A 79 5.802 2.853 6.780 1.00 0.00 H new ATOM 0 HA LYS A 79 3.166 2.345 7.985 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.670 4.616 7.355 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.234 4.609 8.146 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.392 4.798 6.021 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.903 4.562 5.127 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.115 6.842 7.099 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.846 6.997 5.513 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.719 7.856 5.115 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.510 6.188 4.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.893 7.410 6.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 1.169 5.734 6.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 1.999 6.755 7.437 1.00 0.00 H new ATOM 1299 N VAL A 80 1.876 1.826 5.926 1.00 0.00 N ATOM 1300 CA VAL A 80 1.161 1.356 4.745 1.00 0.00 C ATOM 1301 C VAL A 80 -0.244 1.945 4.682 1.00 0.00 C ATOM 1302 O VAL A 80 -1.031 1.797 5.614 1.00 0.00 O ATOM 1303 CB VAL A 80 1.064 -0.181 4.723 1.00 0.00 C ATOM 1304 CG1 VAL A 80 0.660 -0.670 3.341 1.00 0.00 C ATOM 1305 CG2 VAL A 80 2.383 -0.804 5.155 1.00 0.00 C ATOM 0 H VAL A 80 1.347 1.754 6.795 1.00 0.00 H new ATOM 0 HA VAL A 80 1.730 1.689 3.877 1.00 0.00 H new ATOM 0 HB VAL A 80 0.294 -0.490 5.430 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.596 -1.758 3.344 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.311 -0.251 3.076 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.404 -0.352 2.611 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.297 -1.890 5.134 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.174 -0.490 4.474 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.625 -0.479 6.167 1.00 0.00 H new ATOM 1315 N ASN A 81 -0.550 2.612 3.574 1.00 0.00 N ATOM 1316 CA ASN A 81 -1.861 3.223 3.388 1.00 0.00 C ATOM 1317 C ASN A 81 -2.338 3.062 1.948 1.00 0.00 C ATOM 1318 O ASN A 81 -1.552 2.744 1.055 1.00 0.00 O ATOM 1319 CB ASN A 81 -1.812 4.707 3.757 1.00 0.00 C ATOM 1320 CG ASN A 81 -3.186 5.273 4.062 1.00 0.00 C ATOM 1321 OD1 ASN A 81 -3.869 5.786 3.176 1.00 0.00 O ATOM 1322 ND2 ASN A 81 -3.597 5.182 5.321 1.00 0.00 N ATOM 0 H ASN A 81 0.092 2.743 2.792 1.00 0.00 H new ATOM 0 HA ASN A 81 -2.567 2.714 4.045 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.166 4.842 4.624 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -1.365 5.268 2.936 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.512 5.546 5.586 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.997 4.749 6.023 1.00 0.00 H new ATOM 1329 N TRP A 82 -3.629 3.283 1.729 1.00 0.00 N ATOM 1330 CA TRP A 82 -4.210 3.162 0.397 1.00 0.00 C ATOM 1331 C TRP A 82 -3.626 4.206 -0.548 1.00 0.00 C ATOM 1332 O TRP A 82 -3.759 5.408 -0.320 1.00 0.00 O ATOM 1333 CB TRP A 82 -5.731 3.314 0.466 1.00 0.00 C ATOM 1334 CG TRP A 82 -6.412 2.167 1.149 1.00 0.00 C ATOM 1335 CD1 TRP A 82 -6.925 2.153 2.415 1.00 0.00 C ATOM 1336 CD2 TRP A 82 -6.651 0.865 0.602 1.00 0.00 C ATOM 1337 NE1 TRP A 82 -7.469 0.921 2.688 1.00 0.00 N ATOM 1338 CE2 TRP A 82 -7.315 0.114 1.592 1.00 0.00 C ATOM 1339 CE3 TRP A 82 -6.373 0.262 -0.627 1.00 0.00 C ATOM 1340 CZ2 TRP A 82 -7.701 -1.208 1.389 1.00 0.00 C ATOM 1341 CZ3 TRP A 82 -6.755 -1.051 -0.827 1.00 0.00 C ATOM 1342 CH2 TRP A 82 -7.415 -1.774 0.177 1.00 0.00 C ATOM 0 H TRP A 82 -4.293 3.547 2.457 1.00 0.00 H new ATOM 0 HA TRP A 82 -3.967 2.172 0.010 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -5.973 4.237 0.993 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -6.126 3.411 -0.545 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -6.906 2.987 3.100 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -7.915 0.651 3.565 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -5.868 0.812 -1.407 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -8.208 -1.767 2.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -6.542 -1.528 -1.772 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -7.703 -2.798 -0.010 1.00 0.00 H new ATOM 1353 N ALA A 83 -2.977 3.738 -1.611 1.00 0.00 N ATOM 1354 CA ALA A 83 -2.375 4.632 -2.591 1.00 0.00 C ATOM 1355 C ALA A 83 -3.443 5.340 -3.418 1.00 0.00 C ATOM 1356 O ALA A 83 -4.564 4.850 -3.554 1.00 0.00 O ATOM 1357 CB ALA A 83 -1.429 3.859 -3.498 1.00 0.00 C ATOM 0 H ALA A 83 -2.856 2.746 -1.814 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.807 5.391 -2.053 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.986 4.539 -4.226 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.640 3.405 -2.898 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.982 3.079 -4.021 1.00 0.00 H new