USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=16 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= -1.02! X(o=-1!,f=-0.89) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0163 USER MOD Single : A 27 GLN : amide:sc= -0.0382 K(o=-0.038,f=-1.1) 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 -27:sc= 0.372 USER MOD Single : A 36 LYS NZ :NH3+ 148:sc= 1.77 (180deg=-0.23) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 44:sc= -0.0118 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -119:sc= -6.69! (180deg=-7.74!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 80:sc= -2.5 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HE2:sc= -0.569 K(o=-0.57,f=-4.5!) USER MOD Single : A 68 MET CE :methyl -135:sc= -5.67! (180deg=-7.4!) USER MOD Single : A 69 ASN : amide:sc= -0.251 K(o=-0.25,f=-0.85) USER MOD Single : A 72 LYS NZ :NH3+ 153:sc= -11.7! (180deg=-13.4!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= 0.119 K(o=0.12,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 163 N PRO A 8 -9.868 -0.523 -4.520 1.00 0.00 N ATOM 164 CA PRO A 8 -8.421 -0.299 -4.599 1.00 0.00 C ATOM 165 C PRO A 8 -7.624 -1.578 -4.365 1.00 0.00 C ATOM 166 O PRO A 8 -8.005 -2.418 -3.550 1.00 0.00 O ATOM 167 CB PRO A 8 -8.157 0.709 -3.477 1.00 0.00 C ATOM 168 CG PRO A 8 -9.265 0.494 -2.505 1.00 0.00 C ATOM 169 CD PRO A 8 -10.463 0.097 -3.323 1.00 0.00 C ATOM 0 HA PRO A 8 -8.115 0.050 -5.585 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.185 0.539 -3.013 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.155 1.731 -3.856 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.008 -0.284 -1.786 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.465 1.401 -1.935 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.104 -0.602 -2.785 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.078 0.960 -3.580 1.00 0.00 H new ATOM 177 N ARG A 9 -6.516 -1.718 -5.086 1.00 0.00 N ATOM 178 CA ARG A 9 -5.665 -2.895 -4.956 1.00 0.00 C ATOM 179 C ARG A 9 -4.197 -2.495 -4.854 1.00 0.00 C ATOM 180 O ARG A 9 -3.303 -3.339 -4.943 1.00 0.00 O ATOM 181 CB ARG A 9 -5.868 -3.830 -6.151 1.00 0.00 C ATOM 182 CG ARG A 9 -7.266 -4.423 -6.230 1.00 0.00 C ATOM 183 CD ARG A 9 -7.547 -5.003 -7.607 1.00 0.00 C ATOM 184 NE ARG A 9 -7.699 -3.961 -8.620 1.00 0.00 N ATOM 185 CZ ARG A 9 -7.542 -4.172 -9.921 1.00 0.00 C ATOM 186 NH1 ARG A 9 -7.230 -5.382 -10.367 1.00 0.00 N ATOM 187 NH2 ARG A 9 -7.697 -3.174 -10.780 1.00 0.00 N ATOM 0 H ARG A 9 -6.187 -1.032 -5.765 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.946 -3.417 -4.041 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.663 -3.281 -7.070 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.141 -4.640 -6.095 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.375 -5.203 -5.476 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -8.003 -3.653 -6.001 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.733 -5.670 -7.892 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -8.454 -5.606 -7.568 1.00 0.00 H new ATOM 0 HE ARG A 9 -7.939 -3.019 -8.310 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -7.110 -6.153 -9.710 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -7.110 -5.542 -11.367 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.937 -2.242 -10.441 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.576 -3.338 -11.779 1.00 0.00 H new ATOM 201 N THR A 10 -3.952 -1.202 -4.666 1.00 0.00 N ATOM 202 CA THR A 10 -2.592 -0.690 -4.552 1.00 0.00 C ATOM 203 C THR A 10 -2.358 -0.051 -3.189 1.00 0.00 C ATOM 204 O THR A 10 -3.217 0.663 -2.669 1.00 0.00 O ATOM 205 CB THR A 10 -2.289 0.345 -5.651 1.00 0.00 C ATOM 206 OG1 THR A 10 -2.748 -0.136 -6.919 1.00 0.00 O ATOM 207 CG2 THR A 10 -0.797 0.638 -5.723 1.00 0.00 C ATOM 0 H THR A 10 -4.678 -0.490 -4.589 1.00 0.00 H new ATOM 0 HA THR A 10 -1.922 -1.542 -4.670 1.00 0.00 H new ATOM 0 HB THR A 10 -2.813 1.268 -5.403 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.553 0.529 -7.611 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.608 1.372 -6.507 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.457 1.033 -4.766 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.256 -0.281 -5.948 1.00 0.00 H new ATOM 215 N LEU A 11 -1.189 -0.311 -2.612 1.00 0.00 N ATOM 216 CA LEU A 11 -0.841 0.241 -1.307 1.00 0.00 C ATOM 217 C LEU A 11 0.538 0.891 -1.342 1.00 0.00 C ATOM 218 O LEU A 11 1.450 0.401 -2.009 1.00 0.00 O ATOM 219 CB LEU A 11 -0.873 -0.857 -0.243 1.00 0.00 C ATOM 220 CG LEU A 11 -1.893 -1.975 -0.462 1.00 0.00 C ATOM 221 CD1 LEU A 11 -1.481 -3.230 0.292 1.00 0.00 C ATOM 222 CD2 LEU A 11 -3.282 -1.524 -0.033 1.00 0.00 C ATOM 0 H LEU A 11 -0.467 -0.900 -3.027 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.576 1.005 -1.054 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.119 -1.305 -0.182 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.074 -0.393 0.723 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.922 -2.209 -1.526 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.219 -4.014 0.124 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.507 -3.566 -0.065 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.421 -3.011 1.358 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.994 -2.333 -0.196 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.269 -1.261 1.025 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.580 -0.655 -0.620 1.00 0.00 H new ATOM 234 N TYR A 12 0.685 1.994 -0.616 1.00 0.00 N ATOM 235 CA TYR A 12 1.953 2.711 -0.563 1.00 0.00 C ATOM 236 C TYR A 12 2.695 2.411 0.736 1.00 0.00 C ATOM 237 O TYR A 12 2.156 2.589 1.828 1.00 0.00 O ATOM 238 CB TYR A 12 1.717 4.216 -0.694 1.00 0.00 C ATOM 239 CG TYR A 12 2.774 5.056 -0.010 1.00 0.00 C ATOM 240 CD1 TYR A 12 2.746 5.261 1.364 1.00 0.00 C ATOM 241 CD2 TYR A 12 3.800 5.643 -0.739 1.00 0.00 C ATOM 242 CE1 TYR A 12 3.708 6.028 1.991 1.00 0.00 C ATOM 243 CE2 TYR A 12 4.768 6.411 -0.120 1.00 0.00 C ATOM 244 CZ TYR A 12 4.717 6.601 1.245 1.00 0.00 C ATOM 245 OH TYR A 12 5.679 7.364 1.867 1.00 0.00 O ATOM 0 H TYR A 12 -0.059 2.411 -0.056 1.00 0.00 H new ATOM 0 HA TYR A 12 2.568 2.373 -1.397 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.683 4.479 -1.751 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.742 4.461 -0.273 1.00 0.00 H new ATOM 0 HD1 TYR A 12 1.958 4.813 1.952 1.00 0.00 H new ATOM 0 HD2 TYR A 12 3.842 5.497 -1.808 1.00 0.00 H new ATOM 0 HE1 TYR A 12 3.671 6.178 3.060 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.560 6.860 -0.702 1.00 0.00 H new ATOM 0 HH TYR A 12 6.317 7.693 1.200 1.00 0.00 H new ATOM 255 N VAL A 13 3.938 1.957 0.609 1.00 0.00 N ATOM 256 CA VAL A 13 4.756 1.633 1.772 1.00 0.00 C ATOM 257 C VAL A 13 5.847 2.677 1.983 1.00 0.00 C ATOM 258 O VAL A 13 6.691 2.893 1.114 1.00 0.00 O ATOM 259 CB VAL A 13 5.409 0.246 1.630 1.00 0.00 C ATOM 260 CG1 VAL A 13 6.032 -0.189 2.948 1.00 0.00 C ATOM 261 CG2 VAL A 13 4.389 -0.777 1.151 1.00 0.00 C ATOM 0 H VAL A 13 4.400 1.805 -0.287 1.00 0.00 H new ATOM 0 HA VAL A 13 4.091 1.626 2.635 1.00 0.00 H new ATOM 0 HB VAL A 13 6.202 0.312 0.885 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.489 -1.171 2.828 1.00 0.00 H new ATOM 0 HG12 VAL A 13 6.794 0.531 3.246 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.260 -0.239 3.716 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.868 -1.752 1.056 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.573 -0.842 1.871 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.994 -0.471 0.182 1.00 0.00 H new ATOM 271 N GLY A 14 5.824 3.322 3.145 1.00 0.00 N ATOM 272 CA GLY A 14 6.817 4.336 3.451 1.00 0.00 C ATOM 273 C GLY A 14 7.565 4.047 4.736 1.00 0.00 C ATOM 274 O GLY A 14 7.213 3.126 5.472 1.00 0.00 O ATOM 0 H GLY A 14 5.136 3.161 3.880 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.528 4.403 2.628 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.328 5.307 3.530 1.00 0.00 H new ATOM 278 N ASN A 15 8.601 4.834 5.007 1.00 0.00 N ATOM 279 CA ASN A 15 9.402 4.656 6.212 1.00 0.00 C ATOM 280 C ASN A 15 10.136 3.319 6.184 1.00 0.00 C ATOM 281 O ASN A 15 10.247 2.637 7.205 1.00 0.00 O ATOM 282 CB ASN A 15 8.515 4.738 7.457 1.00 0.00 C ATOM 283 CG ASN A 15 9.282 5.191 8.684 1.00 0.00 C ATOM 284 OD1 ASN A 15 9.409 6.388 8.942 1.00 0.00 O ATOM 285 ND2 ASN A 15 9.798 4.234 9.446 1.00 0.00 N ATOM 0 H ASN A 15 8.905 5.601 4.408 1.00 0.00 H new ATOM 0 HA ASN A 15 10.141 5.456 6.248 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.693 5.429 7.270 1.00 0.00 H new ATOM 0 HB3 ASN A 15 8.072 3.761 7.649 1.00 0.00 H new ATOM 0 HD21 ASN A 15 10.325 4.478 10.284 1.00 0.00 H new ATOM 0 HD22 ASN A 15 9.667 3.255 9.193 1.00 0.00 H new ATOM 292 N LEU A 16 10.636 2.948 5.011 1.00 0.00 N ATOM 293 CA LEU A 16 11.360 1.693 4.849 1.00 0.00 C ATOM 294 C LEU A 16 12.860 1.902 5.031 1.00 0.00 C ATOM 295 O LEU A 16 13.434 2.853 4.499 1.00 0.00 O ATOM 296 CB LEU A 16 11.082 1.093 3.469 1.00 0.00 C ATOM 297 CG LEU A 16 9.623 0.745 3.172 1.00 0.00 C ATOM 298 CD1 LEU A 16 9.391 0.654 1.671 1.00 0.00 C ATOM 299 CD2 LEU A 16 9.236 -0.560 3.852 1.00 0.00 C ATOM 0 H LEU A 16 10.553 3.499 4.157 1.00 0.00 H new ATOM 0 HA LEU A 16 11.012 1.001 5.616 1.00 0.00 H new ATOM 0 HB2 LEU A 16 11.428 1.797 2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 16 11.680 0.188 3.361 1.00 0.00 H new ATOM 0 HG LEU A 16 8.992 1.540 3.570 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.347 0.406 1.479 1.00 0.00 H new ATOM 0 HD12 LEU A 16 9.627 1.612 1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 16 10.032 -0.121 1.250 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.194 -0.791 3.629 1.00 0.00 H new ATOM 0 HD22 LEU A 16 9.873 -1.365 3.485 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.363 -0.460 4.930 1.00 0.00 H new ATOM 311 N SER A 17 13.490 1.006 5.784 1.00 0.00 N ATOM 312 CA SER A 17 14.924 1.093 6.037 1.00 0.00 C ATOM 313 C SER A 17 15.717 0.882 4.752 1.00 0.00 C ATOM 314 O SER A 17 15.285 0.156 3.855 1.00 0.00 O ATOM 315 CB SER A 17 15.341 0.059 7.084 1.00 0.00 C ATOM 316 OG SER A 17 16.586 0.400 7.670 1.00 0.00 O ATOM 0 H SER A 17 13.030 0.212 6.229 1.00 0.00 H new ATOM 0 HA SER A 17 15.141 2.092 6.416 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.577 -0.007 7.859 1.00 0.00 H new ATOM 0 HB3 SER A 17 15.411 -0.925 6.620 1.00 0.00 H new ATOM 0 HG SER A 17 16.830 -0.275 8.337 1.00 0.00 H new ATOM 322 N ARG A 18 16.879 1.521 4.669 1.00 0.00 N ATOM 323 CA ARG A 18 17.733 1.404 3.493 1.00 0.00 C ATOM 324 C ARG A 18 18.006 -0.060 3.162 1.00 0.00 C ATOM 325 O ARG A 18 18.318 -0.401 2.021 1.00 0.00 O ATOM 326 CB ARG A 18 19.054 2.141 3.721 1.00 0.00 C ATOM 327 CG ARG A 18 18.976 3.632 3.437 1.00 0.00 C ATOM 328 CD ARG A 18 18.851 3.910 1.947 1.00 0.00 C ATOM 329 NE ARG A 18 20.055 3.524 1.215 1.00 0.00 N ATOM 330 CZ ARG A 18 21.187 4.217 1.244 1.00 0.00 C ATOM 331 NH1 ARG A 18 21.271 5.327 1.965 1.00 0.00 N ATOM 332 NH2 ARG A 18 22.240 3.801 0.552 1.00 0.00 N ATOM 0 H ARG A 18 17.251 2.125 5.402 1.00 0.00 H new ATOM 0 HA ARG A 18 17.212 1.858 2.650 1.00 0.00 H new ATOM 0 HB2 ARG A 18 19.370 1.992 4.754 1.00 0.00 H new ATOM 0 HB3 ARG A 18 19.822 1.698 3.086 1.00 0.00 H new ATOM 0 HG2 ARG A 18 18.121 4.059 3.961 1.00 0.00 H new ATOM 0 HG3 ARG A 18 19.867 4.125 3.827 1.00 0.00 H new ATOM 0 HD2 ARG A 18 17.994 3.367 1.548 1.00 0.00 H new ATOM 0 HD3 ARG A 18 18.657 4.971 1.791 1.00 0.00 H new ATOM 0 HE ARG A 18 20.024 2.675 0.650 1.00 0.00 H new ATOM 0 HH11 ARG A 18 20.465 5.650 2.499 1.00 0.00 H new ATOM 0 HH12 ARG A 18 22.142 5.857 1.985 1.00 0.00 H new ATOM 0 HH21 ARG A 18 22.181 2.948 -0.003 1.00 0.00 H new ATOM 0 HH22 ARG A 18 23.109 4.335 0.575 1.00 0.00 H new ATOM 346 N ASP A 19 17.886 -0.921 4.166 1.00 0.00 N ATOM 347 CA ASP A 19 18.120 -2.348 3.982 1.00 0.00 C ATOM 348 C ASP A 19 16.943 -3.004 3.265 1.00 0.00 C ATOM 349 O ASP A 19 17.125 -3.911 2.454 1.00 0.00 O ATOM 350 CB ASP A 19 18.351 -3.028 5.333 1.00 0.00 C ATOM 351 CG ASP A 19 19.747 -2.785 5.872 1.00 0.00 C ATOM 352 OD1 ASP A 19 20.162 -1.608 5.939 1.00 0.00 O ATOM 353 OD2 ASP A 19 20.426 -3.771 6.226 1.00 0.00 O ATOM 0 H ASP A 19 17.628 -0.655 5.116 1.00 0.00 H new ATOM 0 HA ASP A 19 19.011 -2.468 3.366 1.00 0.00 H new ATOM 0 HB2 ASP A 19 17.618 -2.661 6.051 1.00 0.00 H new ATOM 0 HB3 ASP A 19 18.186 -4.100 5.230 1.00 0.00 H new ATOM 358 N VAL A 20 15.736 -2.536 3.569 1.00 0.00 N ATOM 359 CA VAL A 20 14.530 -3.075 2.954 1.00 0.00 C ATOM 360 C VAL A 20 14.657 -3.112 1.436 1.00 0.00 C ATOM 361 O VAL A 20 15.143 -2.164 0.818 1.00 0.00 O ATOM 362 CB VAL A 20 13.288 -2.248 3.335 1.00 0.00 C ATOM 363 CG1 VAL A 20 12.092 -2.661 2.490 1.00 0.00 C ATOM 364 CG2 VAL A 20 12.982 -2.399 4.817 1.00 0.00 C ATOM 0 H VAL A 20 15.568 -1.784 4.238 1.00 0.00 H new ATOM 0 HA VAL A 20 14.410 -4.091 3.330 1.00 0.00 H new ATOM 0 HB VAL A 20 13.497 -1.197 3.136 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.224 -2.066 2.773 1.00 0.00 H new ATOM 0 HG12 VAL A 20 12.317 -2.496 1.436 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.878 -3.717 2.654 1.00 0.00 H new ATOM 0 HG21 VAL A 20 12.101 -1.808 5.069 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.792 -3.448 5.044 1.00 0.00 H new ATOM 0 HG23 VAL A 20 13.833 -2.049 5.402 1.00 0.00 H new ATOM 374 N THR A 21 14.217 -4.215 0.836 1.00 0.00 N ATOM 375 CA THR A 21 14.281 -4.376 -0.611 1.00 0.00 C ATOM 376 C THR A 21 12.923 -4.766 -1.181 1.00 0.00 C ATOM 377 O THR A 21 12.006 -5.118 -0.440 1.00 0.00 O ATOM 378 CB THR A 21 15.319 -5.441 -1.011 1.00 0.00 C ATOM 379 OG1 THR A 21 15.299 -6.523 -0.072 1.00 0.00 O ATOM 380 CG2 THR A 21 16.716 -4.841 -1.071 1.00 0.00 C ATOM 0 H THR A 21 13.812 -5.010 1.331 1.00 0.00 H new ATOM 0 HA THR A 21 14.582 -3.413 -1.024 1.00 0.00 H new ATOM 0 HB THR A 21 15.059 -5.815 -2.001 1.00 0.00 H new ATOM 0 HG1 THR A 21 15.961 -7.196 -0.335 1.00 0.00 H new ATOM 0 HG21 THR A 21 17.431 -5.613 -1.355 1.00 0.00 H new ATOM 0 HG22 THR A 21 16.736 -4.038 -1.808 1.00 0.00 H new ATOM 0 HG23 THR A 21 16.983 -4.442 -0.092 1.00 0.00 H new ATOM 388 N GLU A 22 12.802 -4.702 -2.504 1.00 0.00 N ATOM 389 CA GLU A 22 11.553 -5.048 -3.173 1.00 0.00 C ATOM 390 C GLU A 22 11.165 -6.495 -2.883 1.00 0.00 C ATOM 391 O GLU A 22 10.004 -6.794 -2.602 1.00 0.00 O ATOM 392 CB GLU A 22 11.682 -4.836 -4.682 1.00 0.00 C ATOM 393 CG GLU A 22 10.512 -5.390 -5.477 1.00 0.00 C ATOM 394 CD GLU A 22 10.724 -6.832 -5.899 1.00 0.00 C ATOM 395 OE1 GLU A 22 10.539 -7.731 -5.053 1.00 0.00 O ATOM 396 OE2 GLU A 22 11.073 -7.060 -7.076 1.00 0.00 O ATOM 0 H GLU A 22 13.552 -4.414 -3.132 1.00 0.00 H new ATOM 0 HA GLU A 22 10.770 -4.395 -2.787 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.775 -3.769 -4.884 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.602 -5.307 -5.029 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.605 -5.321 -4.877 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.356 -4.775 -6.363 1.00 0.00 H new ATOM 403 N VAL A 23 12.145 -7.391 -2.956 1.00 0.00 N ATOM 404 CA VAL A 23 11.906 -8.807 -2.701 1.00 0.00 C ATOM 405 C VAL A 23 11.473 -9.040 -1.259 1.00 0.00 C ATOM 406 O VAL A 23 10.628 -9.894 -0.983 1.00 0.00 O ATOM 407 CB VAL A 23 13.164 -9.648 -2.991 1.00 0.00 C ATOM 408 CG1 VAL A 23 14.324 -9.193 -2.119 1.00 0.00 C ATOM 409 CG2 VAL A 23 12.875 -11.126 -2.779 1.00 0.00 C ATOM 0 H VAL A 23 13.111 -7.161 -3.189 1.00 0.00 H new ATOM 0 HA VAL A 23 11.106 -9.120 -3.372 1.00 0.00 H new ATOM 0 HB VAL A 23 13.446 -9.501 -4.034 1.00 0.00 H new ATOM 0 HG11 VAL A 23 15.203 -9.799 -2.338 1.00 0.00 H new ATOM 0 HG12 VAL A 23 14.545 -8.145 -2.324 1.00 0.00 H new ATOM 0 HG13 VAL A 23 14.057 -9.308 -1.069 1.00 0.00 H new ATOM 0 HG21 VAL A 23 13.774 -11.706 -2.988 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.568 -11.292 -1.746 1.00 0.00 H new ATOM 0 HG23 VAL A 23 12.076 -11.440 -3.450 1.00 0.00 H new ATOM 419 N LEU A 24 12.054 -8.277 -0.340 1.00 0.00 N ATOM 420 CA LEU A 24 11.727 -8.399 1.075 1.00 0.00 C ATOM 421 C LEU A 24 10.266 -8.043 1.330 1.00 0.00 C ATOM 422 O LEU A 24 9.535 -8.803 1.966 1.00 0.00 O ATOM 423 CB LEU A 24 12.637 -7.495 1.909 1.00 0.00 C ATOM 424 CG LEU A 24 12.665 -7.774 3.412 1.00 0.00 C ATOM 425 CD1 LEU A 24 13.748 -6.947 4.088 1.00 0.00 C ATOM 426 CD2 LEU A 24 11.306 -7.486 4.034 1.00 0.00 C ATOM 0 H LEU A 24 12.755 -7.566 -0.550 1.00 0.00 H new ATOM 0 HA LEU A 24 11.885 -9.436 1.370 1.00 0.00 H new ATOM 0 HB2 LEU A 24 13.653 -7.582 1.525 1.00 0.00 H new ATOM 0 HB3 LEU A 24 12.326 -6.461 1.757 1.00 0.00 H new ATOM 0 HG LEU A 24 12.895 -8.829 3.562 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.753 -7.159 5.157 1.00 0.00 H new ATOM 0 HD12 LEU A 24 14.719 -7.202 3.663 1.00 0.00 H new ATOM 0 HD13 LEU A 24 13.549 -5.887 3.929 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.345 -7.690 5.104 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.047 -6.439 3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.552 -8.122 3.571 1.00 0.00 H new ATOM 438 N ILE A 25 9.848 -6.887 0.828 1.00 0.00 N ATOM 439 CA ILE A 25 8.474 -6.432 0.999 1.00 0.00 C ATOM 440 C ILE A 25 7.486 -7.436 0.412 1.00 0.00 C ATOM 441 O ILE A 25 6.491 -7.788 1.046 1.00 0.00 O ATOM 442 CB ILE A 25 8.248 -5.060 0.337 1.00 0.00 C ATOM 443 CG1 ILE A 25 9.043 -3.979 1.072 1.00 0.00 C ATOM 444 CG2 ILE A 25 6.766 -4.717 0.322 1.00 0.00 C ATOM 445 CD1 ILE A 25 8.481 -3.635 2.433 1.00 0.00 C ATOM 0 H ILE A 25 10.441 -6.248 0.299 1.00 0.00 H new ATOM 0 HA ILE A 25 8.303 -6.341 2.072 1.00 0.00 H new ATOM 0 HB ILE A 25 8.600 -5.107 -0.693 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.074 -4.313 1.188 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.067 -3.078 0.460 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.622 -3.745 -0.149 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.222 -5.476 -0.240 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.390 -4.684 1.344 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.095 -2.862 2.895 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.460 -3.270 2.323 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.482 -4.525 3.063 1.00 0.00 H new ATOM 457 N LEU A 26 7.769 -7.894 -0.802 1.00 0.00 N ATOM 458 CA LEU A 26 6.907 -8.859 -1.475 1.00 0.00 C ATOM 459 C LEU A 26 6.824 -10.160 -0.683 1.00 0.00 C ATOM 460 O LEU A 26 5.803 -10.848 -0.707 1.00 0.00 O ATOM 461 CB LEU A 26 7.427 -9.141 -2.886 1.00 0.00 C ATOM 462 CG LEU A 26 7.079 -8.101 -3.950 1.00 0.00 C ATOM 463 CD1 LEU A 26 7.686 -8.485 -5.291 1.00 0.00 C ATOM 464 CD2 LEU A 26 5.570 -7.945 -4.070 1.00 0.00 C ATOM 0 H LEU A 26 8.588 -7.613 -1.340 1.00 0.00 H new ATOM 0 HA LEU A 26 5.907 -8.430 -1.542 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.512 -9.235 -2.840 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.037 -10.106 -3.209 1.00 0.00 H new ATOM 0 HG LEU A 26 7.500 -7.143 -3.645 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.427 -7.733 -6.036 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.770 -8.544 -5.196 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.296 -9.454 -5.603 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.341 -7.200 -4.832 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.127 -8.900 -4.351 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.160 -7.622 -3.113 1.00 0.00 H new ATOM 476 N GLN A 27 7.903 -10.489 0.019 1.00 0.00 N ATOM 477 CA GLN A 27 7.950 -11.707 0.820 1.00 0.00 C ATOM 478 C GLN A 27 6.995 -11.615 2.006 1.00 0.00 C ATOM 479 O GLN A 27 6.191 -12.519 2.241 1.00 0.00 O ATOM 480 CB GLN A 27 9.374 -11.961 1.317 1.00 0.00 C ATOM 481 CG GLN A 27 10.276 -12.600 0.273 1.00 0.00 C ATOM 482 CD GLN A 27 10.232 -14.115 0.311 1.00 0.00 C ATOM 483 OE1 GLN A 27 9.341 -14.706 0.921 1.00 0.00 O ATOM 484 NE2 GLN A 27 11.196 -14.752 -0.344 1.00 0.00 N ATOM 0 H GLN A 27 8.756 -9.930 0.050 1.00 0.00 H new ATOM 0 HA GLN A 27 7.639 -12.539 0.189 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.813 -11.016 1.635 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.334 -12.606 2.195 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.978 -12.257 -0.718 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.301 -12.266 0.431 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.915 -14.221 -0.836 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.218 -15.772 -0.355 1.00 0.00 H new ATOM 493 N LEU A 28 7.087 -10.520 2.752 1.00 0.00 N ATOM 494 CA LEU A 28 6.231 -10.310 3.913 1.00 0.00 C ATOM 495 C LEU A 28 4.773 -10.147 3.495 1.00 0.00 C ATOM 496 O LEU A 28 3.877 -10.756 4.078 1.00 0.00 O ATOM 497 CB LEU A 28 6.691 -9.077 4.694 1.00 0.00 C ATOM 498 CG LEU A 28 8.192 -8.979 4.971 1.00 0.00 C ATOM 499 CD1 LEU A 28 8.493 -7.779 5.856 1.00 0.00 C ATOM 500 CD2 LEU A 28 8.700 -10.260 5.616 1.00 0.00 C ATOM 0 H LEU A 28 7.747 -9.763 2.573 1.00 0.00 H new ATOM 0 HA LEU A 28 6.309 -11.189 4.553 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.385 -8.188 4.143 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.164 -9.058 5.648 1.00 0.00 H new ATOM 0 HG LEU A 28 8.710 -8.844 4.021 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.565 -7.725 6.043 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.165 -6.867 5.357 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.964 -7.884 6.803 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.770 -10.172 5.806 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.177 -10.426 6.558 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.518 -11.101 4.947 1.00 0.00 H new ATOM 512 N PHE A 29 4.545 -9.322 2.479 1.00 0.00 N ATOM 513 CA PHE A 29 3.196 -9.079 1.979 1.00 0.00 C ATOM 514 C PHE A 29 2.619 -10.337 1.336 1.00 0.00 C ATOM 515 O PHE A 29 1.425 -10.613 1.448 1.00 0.00 O ATOM 516 CB PHE A 29 3.202 -7.931 0.968 1.00 0.00 C ATOM 517 CG PHE A 29 3.122 -6.573 1.603 1.00 0.00 C ATOM 518 CD1 PHE A 29 4.218 -6.033 2.257 1.00 0.00 C ATOM 519 CD2 PHE A 29 1.950 -5.835 1.545 1.00 0.00 C ATOM 520 CE1 PHE A 29 4.147 -4.782 2.841 1.00 0.00 C ATOM 521 CE2 PHE A 29 1.873 -4.584 2.127 1.00 0.00 C ATOM 522 CZ PHE A 29 2.973 -4.057 2.777 1.00 0.00 C ATOM 0 H PHE A 29 5.276 -8.810 1.985 1.00 0.00 H new ATOM 0 HA PHE A 29 2.566 -8.804 2.825 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.111 -7.990 0.369 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.361 -8.054 0.285 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.138 -6.596 2.311 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.087 -6.242 1.039 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.009 -4.372 3.347 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.954 -4.019 2.074 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.915 -3.080 3.234 1.00 0.00 H new ATOM 532 N SER A 30 3.478 -11.095 0.662 1.00 0.00 N ATOM 533 CA SER A 30 3.055 -12.322 -0.004 1.00 0.00 C ATOM 534 C SER A 30 2.452 -13.303 0.996 1.00 0.00 C ATOM 535 O SER A 30 1.490 -14.007 0.690 1.00 0.00 O ATOM 536 CB SER A 30 4.238 -12.972 -0.723 1.00 0.00 C ATOM 537 OG SER A 30 4.007 -14.352 -0.942 1.00 0.00 O ATOM 0 H SER A 30 4.470 -10.881 0.563 1.00 0.00 H new ATOM 0 HA SER A 30 2.292 -12.063 -0.738 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.406 -12.473 -1.677 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.144 -12.841 -0.131 1.00 0.00 H new ATOM 0 HG SER A 30 4.777 -14.743 -1.404 1.00 0.00 H new ATOM 543 N GLN A 31 3.026 -13.344 2.195 1.00 0.00 N ATOM 544 CA GLN A 31 2.547 -14.239 3.242 1.00 0.00 C ATOM 545 C GLN A 31 1.055 -14.038 3.488 1.00 0.00 C ATOM 546 O GLN A 31 0.351 -14.968 3.884 1.00 0.00 O ATOM 547 CB GLN A 31 3.326 -14.008 4.537 1.00 0.00 C ATOM 548 CG GLN A 31 4.782 -14.437 4.457 1.00 0.00 C ATOM 549 CD GLN A 31 5.349 -14.833 5.805 1.00 0.00 C ATOM 550 OE1 GLN A 31 5.034 -15.899 6.334 1.00 0.00 O ATOM 551 NE2 GLN A 31 6.190 -13.975 6.370 1.00 0.00 N ATOM 0 H GLN A 31 3.823 -12.768 2.465 1.00 0.00 H new ATOM 0 HA GLN A 31 2.707 -15.265 2.910 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.282 -12.950 4.794 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.839 -14.553 5.346 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.872 -15.277 3.768 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.375 -13.621 4.043 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.423 -13.103 5.896 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.603 -14.188 7.278 1.00 0.00 H new ATOM 560 N ILE A 32 0.580 -12.820 3.252 1.00 0.00 N ATOM 561 CA ILE A 32 -0.828 -12.499 3.448 1.00 0.00 C ATOM 562 C ILE A 32 -1.642 -12.806 2.196 1.00 0.00 C ATOM 563 O ILE A 32 -2.640 -13.522 2.252 1.00 0.00 O ATOM 564 CB ILE A 32 -1.020 -11.017 3.821 1.00 0.00 C ATOM 565 CG1 ILE A 32 -0.277 -10.694 5.118 1.00 0.00 C ATOM 566 CG2 ILE A 32 -2.500 -10.693 3.959 1.00 0.00 C ATOM 567 CD1 ILE A 32 -0.258 -9.219 5.453 1.00 0.00 C ATOM 0 H ILE A 32 1.149 -12.039 2.925 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.182 -13.122 4.270 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.605 -10.401 3.023 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.743 -11.239 5.939 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.749 -11.053 5.039 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.619 -9.642 4.223 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.005 -10.889 3.013 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.937 -11.315 4.740 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.286 -9.065 6.385 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.234 -8.670 4.650 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.280 -8.858 5.565 1.00 0.00 H new ATOM 579 N GLY A 33 -1.206 -12.260 1.065 1.00 0.00 N ATOM 580 CA GLY A 33 -1.904 -12.489 -0.187 1.00 0.00 C ATOM 581 C GLY A 33 -0.990 -12.375 -1.390 1.00 0.00 C ATOM 582 O GLY A 33 0.158 -11.944 -1.286 1.00 0.00 O ATOM 0 H GLY A 33 -0.382 -11.663 0.993 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.356 -13.481 -0.171 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.717 -11.769 -0.283 1.00 0.00 H new ATOM 586 N PRO A 34 -1.501 -12.771 -2.565 1.00 0.00 N ATOM 587 CA PRO A 34 -0.738 -12.722 -3.817 1.00 0.00 C ATOM 588 C PRO A 34 -0.495 -11.294 -4.292 1.00 0.00 C ATOM 589 O PRO A 34 -1.430 -10.501 -4.410 1.00 0.00 O ATOM 590 CB PRO A 34 -1.634 -13.470 -4.807 1.00 0.00 C ATOM 591 CG PRO A 34 -3.012 -13.320 -4.260 1.00 0.00 C ATOM 592 CD PRO A 34 -2.862 -13.296 -2.764 1.00 0.00 C ATOM 0 HA PRO A 34 0.255 -13.157 -3.707 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.557 -13.046 -5.808 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.350 -14.520 -4.883 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -3.477 -12.403 -4.621 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.649 -14.146 -4.575 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.611 -12.658 -2.295 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.976 -14.291 -2.333 1.00 0.00 H new ATOM 600 N CYS A 35 0.765 -10.972 -4.563 1.00 0.00 N ATOM 601 CA CYS A 35 1.131 -9.638 -5.025 1.00 0.00 C ATOM 602 C CYS A 35 1.315 -9.618 -6.539 1.00 0.00 C ATOM 603 O CYS A 35 2.079 -10.409 -7.093 1.00 0.00 O ATOM 604 CB CYS A 35 2.414 -9.171 -4.337 1.00 0.00 C ATOM 605 SG CYS A 35 2.319 -9.153 -2.531 1.00 0.00 S ATOM 0 H CYS A 35 1.550 -11.616 -4.471 1.00 0.00 H new ATOM 0 HA CYS A 35 0.321 -8.956 -4.767 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.234 -9.822 -4.641 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.657 -8.168 -4.687 1.00 0.00 H new ATOM 0 HG CYS A 35 1.084 -8.984 -2.163 1.00 0.00 H new ATOM 611 N LYS A 36 0.609 -8.711 -7.205 1.00 0.00 N ATOM 612 CA LYS A 36 0.694 -8.587 -8.655 1.00 0.00 C ATOM 613 C LYS A 36 2.052 -8.034 -9.075 1.00 0.00 C ATOM 614 O LYS A 36 2.695 -8.565 -9.982 1.00 0.00 O ATOM 615 CB LYS A 36 -0.422 -7.679 -9.176 1.00 0.00 C ATOM 616 CG LYS A 36 -0.854 -8.000 -10.596 1.00 0.00 C ATOM 617 CD LYS A 36 -1.911 -9.090 -10.624 1.00 0.00 C ATOM 618 CE LYS A 36 -2.781 -8.991 -11.869 1.00 0.00 C ATOM 619 NZ LYS A 36 -3.298 -10.322 -12.291 1.00 0.00 N ATOM 0 H LYS A 36 -0.030 -8.050 -6.763 1.00 0.00 H new ATOM 0 HA LYS A 36 0.577 -9.581 -9.087 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.285 -7.762 -8.515 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.086 -6.643 -9.133 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.245 -7.100 -11.070 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.012 -8.316 -11.178 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.429 -10.067 -10.593 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.537 -9.015 -9.735 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.618 -8.321 -11.675 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.203 -8.551 -12.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.234 -10.208 -12.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.644 -10.747 -12.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.378 -10.943 -11.460 1.00 0.00 H new ATOM 633 N SER A 37 2.483 -6.967 -8.411 1.00 0.00 N ATOM 634 CA SER A 37 3.764 -6.342 -8.717 1.00 0.00 C ATOM 635 C SER A 37 4.130 -5.305 -7.659 1.00 0.00 C ATOM 636 O SER A 37 3.264 -4.603 -7.137 1.00 0.00 O ATOM 637 CB SER A 37 3.716 -5.683 -10.097 1.00 0.00 C ATOM 638 OG SER A 37 5.008 -5.617 -10.677 1.00 0.00 O ATOM 0 H SER A 37 1.964 -6.517 -7.657 1.00 0.00 H new ATOM 0 HA SER A 37 4.528 -7.119 -8.718 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.050 -6.247 -10.750 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.302 -4.679 -10.009 1.00 0.00 H new ATOM 0 HG SER A 37 4.949 -5.193 -11.559 1.00 0.00 H new ATOM 644 N CYS A 38 5.419 -5.217 -7.349 1.00 0.00 N ATOM 645 CA CYS A 38 5.901 -4.267 -6.351 1.00 0.00 C ATOM 646 C CYS A 38 7.029 -3.411 -6.918 1.00 0.00 C ATOM 647 O CYS A 38 8.006 -3.929 -7.459 1.00 0.00 O ATOM 648 CB CYS A 38 6.383 -5.007 -5.104 1.00 0.00 C ATOM 649 SG CYS A 38 7.300 -3.971 -3.939 1.00 0.00 S ATOM 0 H CYS A 38 6.148 -5.790 -7.773 1.00 0.00 H new ATOM 0 HA CYS A 38 5.074 -3.612 -6.078 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.521 -5.435 -4.592 1.00 0.00 H new ATOM 0 HB3 CYS A 38 7.017 -5.839 -5.411 1.00 0.00 H new ATOM 0 HG CYS A 38 6.685 -2.835 -3.791 1.00 0.00 H new ATOM 655 N LYS A 39 6.887 -2.096 -6.791 1.00 0.00 N ATOM 656 CA LYS A 39 7.894 -1.165 -7.289 1.00 0.00 C ATOM 657 C LYS A 39 8.502 -0.359 -6.146 1.00 0.00 C ATOM 658 O LYS A 39 7.838 0.488 -5.549 1.00 0.00 O ATOM 659 CB LYS A 39 7.275 -0.220 -8.323 1.00 0.00 C ATOM 660 CG LYS A 39 8.248 0.818 -8.855 1.00 0.00 C ATOM 661 CD LYS A 39 7.548 1.836 -9.740 1.00 0.00 C ATOM 662 CE LYS A 39 8.538 2.582 -10.621 1.00 0.00 C ATOM 663 NZ LYS A 39 7.947 3.824 -11.192 1.00 0.00 N ATOM 0 H LYS A 39 6.084 -1.650 -6.347 1.00 0.00 H new ATOM 0 HA LYS A 39 8.687 -1.744 -7.763 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.891 -0.808 -9.157 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.423 0.289 -7.873 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.728 1.329 -8.021 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.036 0.323 -9.422 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.812 1.331 -10.365 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.004 2.547 -9.118 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.423 2.836 -10.038 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.866 1.930 -11.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.653 4.303 -11.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.117 3.580 -11.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.657 4.457 -10.420 1.00 0.00 H new ATOM 677 N MET A 40 9.770 -0.626 -5.850 1.00 0.00 N ATOM 678 CA MET A 40 10.468 0.078 -4.780 1.00 0.00 C ATOM 679 C MET A 40 11.171 1.321 -5.316 1.00 0.00 C ATOM 680 O MET A 40 12.047 1.227 -6.177 1.00 0.00 O ATOM 681 CB MET A 40 11.485 -0.848 -4.110 1.00 0.00 C ATOM 682 CG MET A 40 12.346 -0.154 -3.068 1.00 0.00 C ATOM 683 SD MET A 40 13.398 -1.301 -2.160 1.00 0.00 S ATOM 684 CE MET A 40 12.392 -1.607 -0.709 1.00 0.00 C ATOM 0 H MET A 40 10.334 -1.324 -6.335 1.00 0.00 H new ATOM 0 HA MET A 40 9.729 0.390 -4.041 1.00 0.00 H new ATOM 0 HB2 MET A 40 10.955 -1.675 -3.638 1.00 0.00 H new ATOM 0 HB3 MET A 40 12.131 -1.278 -4.875 1.00 0.00 H new ATOM 0 HG2 MET A 40 12.969 0.594 -3.557 1.00 0.00 H new ATOM 0 HG3 MET A 40 11.703 0.376 -2.366 1.00 0.00 H new ATOM 0 HE1 MET A 40 12.931 -1.284 0.182 1.00 0.00 H new ATOM 0 HE2 MET A 40 11.458 -1.051 -0.790 1.00 0.00 H new ATOM 0 HE3 MET A 40 12.175 -2.673 -0.635 1.00 0.00 H new ATOM 694 N ILE A 41 10.783 2.483 -4.803 1.00 0.00 N ATOM 695 CA ILE A 41 11.377 3.743 -5.230 1.00 0.00 C ATOM 696 C ILE A 41 12.255 4.338 -4.133 1.00 0.00 C ATOM 697 O ILE A 41 11.786 4.610 -3.027 1.00 0.00 O ATOM 698 CB ILE A 41 10.299 4.770 -5.622 1.00 0.00 C ATOM 699 CG1 ILE A 41 9.245 4.118 -6.519 1.00 0.00 C ATOM 700 CG2 ILE A 41 10.933 5.963 -6.321 1.00 0.00 C ATOM 701 CD1 ILE A 41 8.316 5.112 -7.180 1.00 0.00 C ATOM 0 H ILE A 41 10.059 2.578 -4.091 1.00 0.00 H new ATOM 0 HA ILE A 41 11.991 3.521 -6.103 1.00 0.00 H new ATOM 0 HB ILE A 41 9.808 5.124 -4.715 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.747 3.534 -7.290 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.655 3.421 -5.925 1.00 0.00 H new ATOM 0 HG21 ILE A 41 10.158 6.680 -6.592 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.649 6.439 -5.651 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.447 5.626 -7.222 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.595 4.579 -7.801 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.787 5.680 -6.415 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.896 5.794 -7.802 1.00 0.00 H new ATOM 810 N PRO A 49 12.758 6.077 2.002 1.00 0.00 N ATOM 811 CA PRO A 49 12.254 5.548 0.731 1.00 0.00 C ATOM 812 C PRO A 49 10.837 4.998 0.854 1.00 0.00 C ATOM 813 O PRO A 49 10.275 4.941 1.948 1.00 0.00 O ATOM 814 CB PRO A 49 13.238 4.423 0.400 1.00 0.00 C ATOM 815 CG PRO A 49 13.787 3.999 1.718 1.00 0.00 C ATOM 816 CD PRO A 49 13.829 5.239 2.567 1.00 0.00 C ATOM 0 HA PRO A 49 12.194 6.319 -0.037 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.739 3.596 -0.105 1.00 0.00 H new ATOM 0 HB3 PRO A 49 14.029 4.772 -0.264 1.00 0.00 H new ATOM 0 HG2 PRO A 49 13.159 3.234 2.175 1.00 0.00 H new ATOM 0 HG3 PRO A 49 14.782 3.569 1.606 1.00 0.00 H new ATOM 0 HD2 PRO A 49 13.650 5.012 3.618 1.00 0.00 H new ATOM 0 HD3 PRO A 49 14.799 5.733 2.509 1.00 0.00 H new ATOM 824 N TYR A 50 10.266 4.593 -0.275 1.00 0.00 N ATOM 825 CA TYR A 50 8.913 4.049 -0.294 1.00 0.00 C ATOM 826 C TYR A 50 8.713 3.125 -1.491 1.00 0.00 C ATOM 827 O TYR A 50 9.255 3.365 -2.571 1.00 0.00 O ATOM 828 CB TYR A 50 7.885 5.180 -0.332 1.00 0.00 C ATOM 829 CG TYR A 50 7.872 5.942 -1.638 1.00 0.00 C ATOM 830 CD1 TYR A 50 7.103 5.508 -2.711 1.00 0.00 C ATOM 831 CD2 TYR A 50 8.628 7.097 -1.798 1.00 0.00 C ATOM 832 CE1 TYR A 50 7.090 6.201 -3.906 1.00 0.00 C ATOM 833 CE2 TYR A 50 8.620 7.797 -2.990 1.00 0.00 C ATOM 834 CZ TYR A 50 7.849 7.345 -4.040 1.00 0.00 C ATOM 835 OH TYR A 50 7.837 8.038 -5.228 1.00 0.00 O ATOM 0 H TYR A 50 10.718 4.631 -1.188 1.00 0.00 H new ATOM 0 HA TYR A 50 8.771 3.469 0.618 1.00 0.00 H new ATOM 0 HB2 TYR A 50 6.893 4.765 -0.153 1.00 0.00 H new ATOM 0 HB3 TYR A 50 8.091 5.875 0.482 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.506 4.614 -2.609 1.00 0.00 H new ATOM 0 HD2 TYR A 50 9.232 7.454 -0.977 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.489 5.849 -4.731 1.00 0.00 H new ATOM 0 HE2 TYR A 50 9.214 8.692 -3.098 1.00 0.00 H new ATOM 0 HH TYR A 50 8.424 8.820 -5.157 1.00 0.00 H new ATOM 845 N CYS A 51 7.934 2.069 -1.292 1.00 0.00 N ATOM 846 CA CYS A 51 7.662 1.107 -2.356 1.00 0.00 C ATOM 847 C CYS A 51 6.162 0.884 -2.516 1.00 0.00 C ATOM 848 O CYS A 51 5.393 1.052 -1.569 1.00 0.00 O ATOM 849 CB CYS A 51 8.358 -0.221 -2.060 1.00 0.00 C ATOM 850 SG CYS A 51 7.580 -1.187 -0.745 1.00 0.00 S ATOM 0 H CYS A 51 7.479 1.856 -0.404 1.00 0.00 H new ATOM 0 HA CYS A 51 8.052 1.514 -3.289 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.379 -0.819 -2.971 1.00 0.00 H new ATOM 0 HB3 CYS A 51 9.394 -0.022 -1.786 1.00 0.00 H new ATOM 0 HG CYS A 51 6.545 -1.814 -1.221 1.00 0.00 H new ATOM 856 N PHE A 52 5.751 0.507 -3.723 1.00 0.00 N ATOM 857 CA PHE A 52 4.341 0.264 -4.008 1.00 0.00 C ATOM 858 C PHE A 52 4.047 -1.232 -4.057 1.00 0.00 C ATOM 859 O PHE A 52 4.838 -2.016 -4.584 1.00 0.00 O ATOM 860 CB PHE A 52 3.949 0.916 -5.336 1.00 0.00 C ATOM 861 CG PHE A 52 3.993 2.416 -5.303 1.00 0.00 C ATOM 862 CD1 PHE A 52 3.244 3.125 -4.376 1.00 0.00 C ATOM 863 CD2 PHE A 52 4.784 3.120 -6.197 1.00 0.00 C ATOM 864 CE1 PHE A 52 3.282 4.506 -4.345 1.00 0.00 C ATOM 865 CE2 PHE A 52 4.827 4.501 -6.170 1.00 0.00 C ATOM 866 CZ PHE A 52 4.075 5.195 -5.241 1.00 0.00 C ATOM 0 H PHE A 52 6.373 0.363 -4.518 1.00 0.00 H new ATOM 0 HA PHE A 52 3.751 0.706 -3.205 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.618 0.558 -6.119 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.943 0.596 -5.606 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.624 2.592 -3.670 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.374 2.582 -6.924 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.691 5.046 -3.620 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.447 5.037 -6.873 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.108 6.274 -5.216 1.00 0.00 H new ATOM 876 N VAL A 53 2.903 -1.622 -3.503 1.00 0.00 N ATOM 877 CA VAL A 53 2.503 -3.024 -3.483 1.00 0.00 C ATOM 878 C VAL A 53 1.102 -3.204 -4.055 1.00 0.00 C ATOM 879 O VAL A 53 0.127 -2.687 -3.510 1.00 0.00 O ATOM 880 CB VAL A 53 2.539 -3.598 -2.054 1.00 0.00 C ATOM 881 CG1 VAL A 53 2.170 -5.074 -2.062 1.00 0.00 C ATOM 882 CG2 VAL A 53 3.911 -3.387 -1.430 1.00 0.00 C ATOM 0 H VAL A 53 2.237 -0.987 -3.062 1.00 0.00 H new ATOM 0 HA VAL A 53 3.218 -3.565 -4.102 1.00 0.00 H new ATOM 0 HB VAL A 53 1.804 -3.067 -1.449 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.201 -5.462 -1.044 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.165 -5.196 -2.467 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.879 -5.623 -2.681 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.919 -3.798 -0.421 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.666 -3.891 -2.033 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.132 -2.320 -1.389 1.00 0.00 H new ATOM 892 N GLU A 54 1.008 -3.941 -5.158 1.00 0.00 N ATOM 893 CA GLU A 54 -0.276 -4.188 -5.803 1.00 0.00 C ATOM 894 C GLU A 54 -0.712 -5.638 -5.611 1.00 0.00 C ATOM 895 O GLU A 54 0.088 -6.563 -5.760 1.00 0.00 O ATOM 896 CB GLU A 54 -0.192 -3.863 -7.297 1.00 0.00 C ATOM 897 CG GLU A 54 -1.526 -3.957 -8.017 1.00 0.00 C ATOM 898 CD GLU A 54 -1.397 -3.757 -9.514 1.00 0.00 C ATOM 899 OE1 GLU A 54 -1.145 -4.753 -10.225 1.00 0.00 O ATOM 900 OE2 GLU A 54 -1.548 -2.606 -9.974 1.00 0.00 O ATOM 0 H GLU A 54 1.805 -4.377 -5.623 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.018 -3.539 -5.338 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.207 -2.856 -7.419 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.515 -4.545 -7.769 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.972 -4.932 -7.822 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.207 -3.208 -7.612 1.00 0.00 H new ATOM 907 N PHE A 55 -1.984 -5.828 -5.279 1.00 0.00 N ATOM 908 CA PHE A 55 -2.527 -7.164 -5.064 1.00 0.00 C ATOM 909 C PHE A 55 -3.503 -7.539 -6.176 1.00 0.00 C ATOM 910 O PHE A 55 -3.895 -6.698 -6.984 1.00 0.00 O ATOM 911 CB PHE A 55 -3.228 -7.242 -3.707 1.00 0.00 C ATOM 912 CG PHE A 55 -2.288 -7.476 -2.560 1.00 0.00 C ATOM 913 CD1 PHE A 55 -1.705 -6.409 -1.895 1.00 0.00 C ATOM 914 CD2 PHE A 55 -1.986 -8.763 -2.145 1.00 0.00 C ATOM 915 CE1 PHE A 55 -0.838 -6.621 -0.839 1.00 0.00 C ATOM 916 CE2 PHE A 55 -1.121 -8.982 -1.089 1.00 0.00 C ATOM 917 CZ PHE A 55 -0.548 -7.911 -0.435 1.00 0.00 C ATOM 0 H PHE A 55 -2.659 -5.073 -5.153 1.00 0.00 H new ATOM 0 HA PHE A 55 -1.698 -7.872 -5.077 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.774 -6.315 -3.535 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.964 -8.045 -3.733 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.931 -5.399 -2.205 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.432 -9.606 -2.653 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.388 -5.781 -0.331 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.894 -9.991 -0.776 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.126 -8.080 0.392 1.00 0.00 H new ATOM 927 N TYR A 56 -3.892 -8.810 -6.209 1.00 0.00 N ATOM 928 CA TYR A 56 -4.820 -9.298 -7.222 1.00 0.00 C ATOM 929 C TYR A 56 -6.252 -8.885 -6.894 1.00 0.00 C ATOM 930 O TYR A 56 -7.037 -8.571 -7.788 1.00 0.00 O ATOM 931 CB TYR A 56 -4.730 -10.821 -7.334 1.00 0.00 C ATOM 932 CG TYR A 56 -3.501 -11.303 -8.071 1.00 0.00 C ATOM 933 CD1 TYR A 56 -2.258 -11.324 -7.451 1.00 0.00 C ATOM 934 CD2 TYR A 56 -3.583 -11.738 -9.388 1.00 0.00 C ATOM 935 CE1 TYR A 56 -1.133 -11.762 -8.121 1.00 0.00 C ATOM 936 CE2 TYR A 56 -2.463 -12.178 -10.066 1.00 0.00 C ATOM 937 CZ TYR A 56 -1.240 -12.189 -9.428 1.00 0.00 C ATOM 938 OH TYR A 56 -0.121 -12.628 -10.099 1.00 0.00 O ATOM 0 H TYR A 56 -3.579 -9.519 -5.546 1.00 0.00 H new ATOM 0 HA TYR A 56 -4.542 -8.852 -8.177 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.735 -11.251 -6.333 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -5.618 -11.192 -7.845 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.170 -10.992 -6.427 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -4.539 -11.732 -9.890 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -0.174 -11.770 -7.624 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.544 -12.512 -11.090 1.00 0.00 H new ATOM 0 HH TYR A 56 -0.369 -12.894 -11.009 1.00 0.00 H new ATOM 948 N GLU A 57 -6.581 -8.887 -5.607 1.00 0.00 N ATOM 949 CA GLU A 57 -7.918 -8.512 -5.160 1.00 0.00 C ATOM 950 C GLU A 57 -7.848 -7.453 -4.064 1.00 0.00 C ATOM 951 O GLU A 57 -6.794 -7.227 -3.469 1.00 0.00 O ATOM 952 CB GLU A 57 -8.672 -9.741 -4.650 1.00 0.00 C ATOM 953 CG GLU A 57 -8.553 -10.952 -5.561 1.00 0.00 C ATOM 954 CD GLU A 57 -9.762 -11.864 -5.481 1.00 0.00 C ATOM 955 OE1 GLU A 57 -10.831 -11.394 -5.042 1.00 0.00 O ATOM 956 OE2 GLU A 57 -9.637 -13.048 -5.856 1.00 0.00 O ATOM 0 H GLU A 57 -5.941 -9.144 -4.855 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.454 -8.093 -6.012 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.296 -10.003 -3.661 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.726 -9.487 -4.533 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.423 -10.616 -6.590 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.659 -11.516 -5.295 1.00 0.00 H new ATOM 963 N HIS A 58 -8.979 -6.806 -3.802 1.00 0.00 N ATOM 964 CA HIS A 58 -9.049 -5.771 -2.777 1.00 0.00 C ATOM 965 C HIS A 58 -8.989 -6.383 -1.381 1.00 0.00 C ATOM 966 O HIS A 58 -8.466 -5.773 -0.447 1.00 0.00 O ATOM 967 CB HIS A 58 -10.330 -4.952 -2.934 1.00 0.00 C ATOM 968 CG HIS A 58 -10.592 -4.022 -1.789 1.00 0.00 C ATOM 969 ND1 HIS A 58 -10.026 -2.768 -1.694 1.00 0.00 N ATOM 970 CD2 HIS A 58 -11.364 -4.169 -0.688 1.00 0.00 C ATOM 971 CE1 HIS A 58 -10.438 -2.185 -0.583 1.00 0.00 C ATOM 972 NE2 HIS A 58 -11.252 -3.014 0.046 1.00 0.00 N ATOM 0 H HIS A 58 -9.860 -6.980 -4.286 1.00 0.00 H new ATOM 0 HA HIS A 58 -8.189 -5.113 -2.902 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -10.270 -4.373 -3.855 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -11.175 -5.632 -3.040 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -9.389 -2.355 -2.375 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -11.958 -5.034 -0.434 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -10.157 -1.198 -0.246 1.00 0.00 H new ATOM 980 N ARG A 59 -9.528 -7.590 -1.246 1.00 0.00 N ATOM 981 CA ARG A 59 -9.539 -8.283 0.037 1.00 0.00 C ATOM 982 C ARG A 59 -8.118 -8.491 0.553 1.00 0.00 C ATOM 983 O ARG A 59 -7.859 -8.373 1.751 1.00 0.00 O ATOM 984 CB ARG A 59 -10.248 -9.632 -0.094 1.00 0.00 C ATOM 985 CG ARG A 59 -9.678 -10.515 -1.192 1.00 0.00 C ATOM 986 CD ARG A 59 -10.537 -11.751 -1.415 1.00 0.00 C ATOM 987 NE ARG A 59 -9.900 -12.705 -2.317 1.00 0.00 N ATOM 988 CZ ARG A 59 -8.855 -13.452 -1.979 1.00 0.00 C ATOM 989 NH1 ARG A 59 -8.333 -13.357 -0.763 1.00 0.00 N ATOM 990 NH2 ARG A 59 -8.330 -14.298 -2.857 1.00 0.00 N ATOM 0 H ARG A 59 -9.963 -8.109 -2.009 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.081 -7.664 0.752 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -10.183 -10.161 0.857 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.306 -9.459 -0.291 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.609 -9.946 -2.119 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.665 -10.818 -0.928 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -10.733 -12.233 -0.457 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -11.502 -11.453 -1.826 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.278 -12.804 -3.259 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.734 -12.709 -0.085 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.531 -13.932 -0.506 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -8.729 -14.375 -3.793 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.528 -14.871 -2.596 1.00 0.00 H new ATOM 1004 N ASP A 60 -7.202 -8.801 -0.358 1.00 0.00 N ATOM 1005 CA ASP A 60 -5.808 -9.025 0.005 1.00 0.00 C ATOM 1006 C ASP A 60 -5.111 -7.706 0.325 1.00 0.00 C ATOM 1007 O ASP A 60 -4.401 -7.594 1.324 1.00 0.00 O ATOM 1008 CB ASP A 60 -5.073 -9.744 -1.128 1.00 0.00 C ATOM 1009 CG ASP A 60 -5.872 -10.900 -1.695 1.00 0.00 C ATOM 1010 OD1 ASP A 60 -6.238 -11.806 -0.917 1.00 0.00 O ATOM 1011 OD2 ASP A 60 -6.131 -10.899 -2.916 1.00 0.00 O ATOM 0 H ASP A 60 -7.400 -8.903 -1.353 1.00 0.00 H new ATOM 0 HA ASP A 60 -5.786 -9.652 0.897 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.854 -9.032 -1.924 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.116 -10.114 -0.759 1.00 0.00 H new ATOM 1016 N ALA A 61 -5.318 -6.711 -0.530 1.00 0.00 N ATOM 1017 CA ALA A 61 -4.711 -5.399 -0.339 1.00 0.00 C ATOM 1018 C ALA A 61 -5.125 -4.793 0.997 1.00 0.00 C ATOM 1019 O ALA A 61 -4.301 -4.228 1.715 1.00 0.00 O ATOM 1020 CB ALA A 61 -5.088 -4.471 -1.483 1.00 0.00 C ATOM 0 H ALA A 61 -5.902 -6.788 -1.363 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.628 -5.524 -0.331 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.628 -3.495 -1.327 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.735 -4.892 -2.424 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.172 -4.359 -1.519 1.00 0.00 H new ATOM 1026 N ALA A 62 -6.407 -4.913 1.324 1.00 0.00 N ATOM 1027 CA ALA A 62 -6.931 -4.377 2.574 1.00 0.00 C ATOM 1028 C ALA A 62 -6.397 -5.158 3.772 1.00 0.00 C ATOM 1029 O ALA A 62 -6.026 -4.574 4.789 1.00 0.00 O ATOM 1030 CB ALA A 62 -8.452 -4.399 2.563 1.00 0.00 C ATOM 0 H ALA A 62 -7.103 -5.377 0.740 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.595 -3.344 2.667 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.829 -3.996 3.503 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.819 -3.792 1.735 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -8.800 -5.425 2.443 1.00 0.00 H new ATOM 1036 N ALA A 63 -6.364 -6.479 3.643 1.00 0.00 N ATOM 1037 CA ALA A 63 -5.876 -7.339 4.714 1.00 0.00 C ATOM 1038 C ALA A 63 -4.393 -7.100 4.976 1.00 0.00 C ATOM 1039 O ALA A 63 -3.964 -7.000 6.125 1.00 0.00 O ATOM 1040 CB ALA A 63 -6.125 -8.801 4.374 1.00 0.00 C ATOM 0 H ALA A 63 -6.669 -6.978 2.807 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.424 -7.091 5.623 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.755 -9.431 5.183 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.194 -8.967 4.244 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.604 -9.054 3.451 1.00 0.00 H new ATOM 1046 N ALA A 64 -3.613 -7.011 3.903 1.00 0.00 N ATOM 1047 CA ALA A 64 -2.178 -6.782 4.018 1.00 0.00 C ATOM 1048 C ALA A 64 -1.884 -5.349 4.446 1.00 0.00 C ATOM 1049 O ALA A 64 -0.919 -5.092 5.169 1.00 0.00 O ATOM 1050 CB ALA A 64 -1.488 -7.095 2.699 1.00 0.00 C ATOM 0 H ALA A 64 -3.951 -7.094 2.944 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.788 -7.449 4.787 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.417 -6.920 2.798 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.662 -8.138 2.436 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.890 -6.451 1.916 1.00 0.00 H new ATOM 1056 N LEU A 65 -2.717 -4.418 3.995 1.00 0.00 N ATOM 1057 CA LEU A 65 -2.545 -3.009 4.330 1.00 0.00 C ATOM 1058 C LEU A 65 -2.603 -2.799 5.840 1.00 0.00 C ATOM 1059 O LEU A 65 -1.719 -2.170 6.422 1.00 0.00 O ATOM 1060 CB LEU A 65 -3.622 -2.166 3.645 1.00 0.00 C ATOM 1061 CG LEU A 65 -3.871 -0.781 4.243 1.00 0.00 C ATOM 1062 CD1 LEU A 65 -2.814 0.204 3.768 1.00 0.00 C ATOM 1063 CD2 LEU A 65 -5.265 -0.286 3.881 1.00 0.00 C ATOM 0 H LEU A 65 -3.519 -4.614 3.396 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.564 -2.693 3.974 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.347 -2.043 2.597 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.559 -2.723 3.666 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.805 -0.858 5.328 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.008 1.184 4.204 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.828 -0.143 4.078 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.847 0.277 2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.425 0.701 4.315 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.359 -0.225 2.797 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.010 -0.979 4.272 1.00 0.00 H new ATOM 1075 N ALA A 66 -3.646 -3.328 6.467 1.00 0.00 N ATOM 1076 CA ALA A 66 -3.817 -3.202 7.910 1.00 0.00 C ATOM 1077 C ALA A 66 -2.752 -3.996 8.660 1.00 0.00 C ATOM 1078 O ALA A 66 -2.201 -3.528 9.655 1.00 0.00 O ATOM 1079 CB ALA A 66 -5.208 -3.662 8.320 1.00 0.00 C ATOM 0 H ALA A 66 -4.387 -3.849 5.999 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.703 -2.151 8.174 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.321 -3.562 9.400 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.957 -3.049 7.819 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.345 -4.705 8.036 1.00 0.00 H new ATOM 1085 N ALA A 67 -2.469 -5.201 8.175 1.00 0.00 N ATOM 1086 CA ALA A 67 -1.470 -6.060 8.799 1.00 0.00 C ATOM 1087 C ALA A 67 -0.076 -5.454 8.681 1.00 0.00 C ATOM 1088 O ALA A 67 0.751 -5.596 9.583 1.00 0.00 O ATOM 1089 CB ALA A 67 -1.501 -7.446 8.173 1.00 0.00 C ATOM 0 H ALA A 67 -2.917 -5.604 7.352 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.711 -6.147 9.858 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.750 -8.077 8.648 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.488 -7.887 8.314 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.288 -7.369 7.107 1.00 0.00 H new ATOM 1095 N MET A 68 0.180 -4.781 7.564 1.00 0.00 N ATOM 1096 CA MET A 68 1.476 -4.154 7.330 1.00 0.00 C ATOM 1097 C MET A 68 1.456 -2.689 7.757 1.00 0.00 C ATOM 1098 O MET A 68 2.504 -2.062 7.901 1.00 0.00 O ATOM 1099 CB MET A 68 1.858 -4.262 5.853 1.00 0.00 C ATOM 1100 CG MET A 68 1.943 -5.693 5.350 1.00 0.00 C ATOM 1101 SD MET A 68 3.174 -6.669 6.235 1.00 0.00 S ATOM 1102 CE MET A 68 4.632 -5.651 6.021 1.00 0.00 C ATOM 0 H MET A 68 -0.492 -4.656 6.807 1.00 0.00 H new ATOM 0 HA MET A 68 2.220 -4.678 7.930 1.00 0.00 H new ATOM 0 HB2 MET A 68 1.125 -3.719 5.256 1.00 0.00 H new ATOM 0 HB3 MET A 68 2.820 -3.774 5.698 1.00 0.00 H new ATOM 0 HG2 MET A 68 0.967 -6.168 5.451 1.00 0.00 H new ATOM 0 HG3 MET A 68 2.186 -5.687 4.287 1.00 0.00 H new ATOM 0 HE1 MET A 68 5.478 -6.280 5.744 1.00 0.00 H new ATOM 0 HE2 MET A 68 4.452 -4.918 5.234 1.00 0.00 H new ATOM 0 HE3 MET A 68 4.855 -5.134 6.954 1.00 0.00 H new ATOM 1112 N ASN A 69 0.257 -2.152 7.956 1.00 0.00 N ATOM 1113 CA ASN A 69 0.101 -0.760 8.365 1.00 0.00 C ATOM 1114 C ASN A 69 0.856 -0.488 9.663 1.00 0.00 C ATOM 1115 O ASN A 69 0.430 -0.906 10.740 1.00 0.00 O ATOM 1116 CB ASN A 69 -1.379 -0.421 8.541 1.00 0.00 C ATOM 1117 CG ASN A 69 -1.598 0.738 9.495 1.00 0.00 C ATOM 1118 OD1 ASN A 69 -1.768 0.542 10.698 1.00 0.00 O ATOM 1119 ND2 ASN A 69 -1.595 1.953 8.960 1.00 0.00 N ATOM 0 H ASN A 69 -0.621 -2.659 7.841 1.00 0.00 H new ATOM 0 HA ASN A 69 0.520 -0.127 7.582 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -1.810 -0.176 7.571 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -1.908 -1.299 8.912 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -1.738 2.771 9.552 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -1.450 2.068 7.957 1.00 0.00 H new ATOM 1126 N GLY A 70 1.978 0.217 9.554 1.00 0.00 N ATOM 1127 CA GLY A 70 2.772 0.534 10.726 1.00 0.00 C ATOM 1128 C GLY A 70 3.404 -0.697 11.348 1.00 0.00 C ATOM 1129 O GLY A 70 3.581 -0.764 12.564 1.00 0.00 O ATOM 0 H GLY A 70 2.351 0.574 8.674 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.555 1.241 10.451 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.142 1.028 11.465 1.00 0.00 H new ATOM 1133 N ARG A 71 3.742 -1.673 10.512 1.00 0.00 N ATOM 1134 CA ARG A 71 4.354 -2.907 10.988 1.00 0.00 C ATOM 1135 C ARG A 71 5.834 -2.697 11.298 1.00 0.00 C ATOM 1136 O ARG A 71 6.444 -1.732 10.838 1.00 0.00 O ATOM 1137 CB ARG A 71 4.194 -4.016 9.946 1.00 0.00 C ATOM 1138 CG ARG A 71 4.360 -5.416 10.515 1.00 0.00 C ATOM 1139 CD ARG A 71 4.112 -6.480 9.457 1.00 0.00 C ATOM 1140 NE ARG A 71 4.145 -7.828 10.019 1.00 0.00 N ATOM 1141 CZ ARG A 71 5.255 -8.416 10.452 1.00 0.00 C ATOM 1142 NH1 ARG A 71 6.416 -7.777 10.389 1.00 0.00 N ATOM 1143 NH2 ARG A 71 5.205 -9.644 10.950 1.00 0.00 N ATOM 0 H ARG A 71 3.602 -1.633 9.502 1.00 0.00 H new ATOM 0 HA ARG A 71 3.846 -3.203 11.906 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.208 -3.934 9.489 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.927 -3.866 9.153 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.367 -5.529 10.918 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.667 -5.557 11.344 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.144 -6.306 8.988 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.865 -6.395 8.674 1.00 0.00 H new ATOM 0 HE ARG A 71 3.269 -8.346 10.082 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.458 -6.832 10.007 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.267 -8.231 10.722 1.00 0.00 H new ATOM 0 HH21 ARG A 71 4.314 -10.138 11.001 1.00 0.00 H new ATOM 0 HH22 ARG A 71 6.058 -10.095 11.282 1.00 0.00 H new ATOM 1157 N LYS A 72 6.404 -3.606 12.081 1.00 0.00 N ATOM 1158 CA LYS A 72 7.812 -3.521 12.453 1.00 0.00 C ATOM 1159 C LYS A 72 8.669 -4.390 11.539 1.00 0.00 C ATOM 1160 O LYS A 72 8.559 -5.617 11.550 1.00 0.00 O ATOM 1161 CB LYS A 72 8.002 -3.952 13.909 1.00 0.00 C ATOM 1162 CG LYS A 72 7.895 -2.806 14.901 1.00 0.00 C ATOM 1163 CD LYS A 72 9.256 -2.205 15.208 1.00 0.00 C ATOM 1164 CE LYS A 72 9.816 -1.455 14.008 1.00 0.00 C ATOM 1165 NZ LYS A 72 10.642 -2.337 13.138 1.00 0.00 N ATOM 0 H LYS A 72 5.913 -4.411 12.471 1.00 0.00 H new ATOM 0 HA LYS A 72 8.130 -2.484 12.342 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.255 -4.707 14.156 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.979 -4.424 14.015 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.238 -2.035 14.498 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.438 -3.164 15.824 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.172 -1.526 16.057 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.947 -2.996 15.499 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.995 -1.037 13.426 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.421 -0.617 14.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.624 -1.977 12.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.622 -2.347 13.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.257 -3.303 13.158 1.00 0.00 H new ATOM 1179 N ILE A 73 9.523 -3.747 10.750 1.00 0.00 N ATOM 1180 CA ILE A 73 10.400 -4.462 9.831 1.00 0.00 C ATOM 1181 C ILE A 73 11.821 -3.912 9.887 1.00 0.00 C ATOM 1182 O ILE A 73 12.047 -2.721 9.665 1.00 0.00 O ATOM 1183 CB ILE A 73 9.887 -4.379 8.382 1.00 0.00 C ATOM 1184 CG1 ILE A 73 8.495 -5.004 8.275 1.00 0.00 C ATOM 1185 CG2 ILE A 73 10.858 -5.070 7.436 1.00 0.00 C ATOM 1186 CD1 ILE A 73 7.791 -4.692 6.973 1.00 0.00 C ATOM 0 H ILE A 73 9.626 -2.732 10.729 1.00 0.00 H new ATOM 0 HA ILE A 73 10.403 -5.505 10.147 1.00 0.00 H new ATOM 0 HB ILE A 73 9.817 -3.329 8.096 1.00 0.00 H new ATOM 0 HG12 ILE A 73 8.582 -6.085 8.382 1.00 0.00 H new ATOM 0 HG13 ILE A 73 7.882 -4.650 9.104 1.00 0.00 H new ATOM 0 HG21 ILE A 73 10.481 -5.003 6.415 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.832 -4.585 7.496 1.00 0.00 H new ATOM 0 HG23 ILE A 73 10.957 -6.118 7.718 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.810 -5.167 6.967 1.00 0.00 H new ATOM 0 HD12 ILE A 73 7.672 -3.613 6.873 1.00 0.00 H new ATOM 0 HD13 ILE A 73 8.383 -5.071 6.140 1.00 0.00 H new ATOM 1198 N LEU A 74 12.777 -4.785 10.185 1.00 0.00 N ATOM 1199 CA LEU A 74 14.179 -4.387 10.268 1.00 0.00 C ATOM 1200 C LEU A 74 14.379 -3.325 11.344 1.00 0.00 C ATOM 1201 O LEU A 74 15.216 -2.434 11.202 1.00 0.00 O ATOM 1202 CB LEU A 74 14.660 -3.858 8.917 1.00 0.00 C ATOM 1203 CG LEU A 74 14.882 -4.907 7.826 1.00 0.00 C ATOM 1204 CD1 LEU A 74 15.072 -4.239 6.473 1.00 0.00 C ATOM 1205 CD2 LEU A 74 16.081 -5.782 8.163 1.00 0.00 C ATOM 0 H LEU A 74 12.608 -5.773 10.373 1.00 0.00 H new ATOM 0 HA LEU A 74 14.766 -5.265 10.536 1.00 0.00 H new ATOM 0 HB2 LEU A 74 13.932 -3.133 8.553 1.00 0.00 H new ATOM 0 HB3 LEU A 74 15.595 -3.320 9.072 1.00 0.00 H new ATOM 0 HG LEU A 74 13.997 -5.541 7.774 1.00 0.00 H new ATOM 0 HD11 LEU A 74 15.229 -5.001 5.710 1.00 0.00 H new ATOM 0 HD12 LEU A 74 14.184 -3.656 6.227 1.00 0.00 H new ATOM 0 HD13 LEU A 74 15.940 -3.580 6.511 1.00 0.00 H new ATOM 0 HD21 LEU A 74 16.224 -6.522 7.376 1.00 0.00 H new ATOM 0 HD22 LEU A 74 16.973 -5.161 8.243 1.00 0.00 H new ATOM 0 HD23 LEU A 74 15.906 -6.290 9.111 1.00 0.00 H new ATOM 1217 N GLY A 75 13.607 -3.428 12.422 1.00 0.00 N ATOM 1218 CA GLY A 75 13.718 -2.471 13.507 1.00 0.00 C ATOM 1219 C GLY A 75 13.091 -1.134 13.166 1.00 0.00 C ATOM 1220 O GLY A 75 13.003 -0.246 14.015 1.00 0.00 O ATOM 0 H GLY A 75 12.907 -4.157 12.563 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.238 -2.878 14.397 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.770 -2.324 13.752 1.00 0.00 H new ATOM 1224 N LYS A 76 12.654 -0.987 11.920 1.00 0.00 N ATOM 1225 CA LYS A 76 12.032 0.252 11.468 1.00 0.00 C ATOM 1226 C LYS A 76 10.559 0.032 11.137 1.00 0.00 C ATOM 1227 O LYS A 76 10.219 -0.820 10.316 1.00 0.00 O ATOM 1228 CB LYS A 76 12.766 0.796 10.240 1.00 0.00 C ATOM 1229 CG LYS A 76 12.699 2.308 10.112 1.00 0.00 C ATOM 1230 CD LYS A 76 13.647 2.819 9.041 1.00 0.00 C ATOM 1231 CE LYS A 76 14.105 4.240 9.333 1.00 0.00 C ATOM 1232 NZ LYS A 76 14.700 4.889 8.133 1.00 0.00 N ATOM 0 H LYS A 76 12.719 -1.711 11.205 1.00 0.00 H new ATOM 0 HA LYS A 76 12.100 0.980 12.277 1.00 0.00 H new ATOM 0 HB2 LYS A 76 13.811 0.490 10.286 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.341 0.345 9.343 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.680 2.609 9.870 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.948 2.767 11.069 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.514 2.162 8.978 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.152 2.787 8.070 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.258 4.830 9.682 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.838 4.227 10.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.999 5.855 8.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 15.524 4.340 7.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.993 4.925 7.371 1.00 0.00 H new ATOM 1246 N GLU A 77 9.691 0.806 11.780 1.00 0.00 N ATOM 1247 CA GLU A 77 8.255 0.695 11.553 1.00 0.00 C ATOM 1248 C GLU A 77 7.878 1.242 10.179 1.00 0.00 C ATOM 1249 O GLU A 77 8.142 2.403 9.867 1.00 0.00 O ATOM 1250 CB GLU A 77 7.485 1.445 12.641 1.00 0.00 C ATOM 1251 CG GLU A 77 6.112 0.859 12.928 1.00 0.00 C ATOM 1252 CD GLU A 77 5.220 1.813 13.698 1.00 0.00 C ATOM 1253 OE1 GLU A 77 5.262 3.028 13.409 1.00 0.00 O ATOM 1254 OE2 GLU A 77 4.480 1.346 14.589 1.00 0.00 O ATOM 0 H GLU A 77 9.957 1.516 12.462 1.00 0.00 H new ATOM 0 HA GLU A 77 7.987 -0.361 11.591 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.072 1.440 13.559 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.371 2.487 12.341 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.629 0.596 11.987 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.227 -0.064 13.496 1.00 0.00 H new ATOM 1261 N VAL A 78 7.260 0.396 9.361 1.00 0.00 N ATOM 1262 CA VAL A 78 6.846 0.793 8.020 1.00 0.00 C ATOM 1263 C VAL A 78 5.380 1.213 8.000 1.00 0.00 C ATOM 1264 O VAL A 78 4.523 0.545 8.580 1.00 0.00 O ATOM 1265 CB VAL A 78 7.057 -0.348 7.007 1.00 0.00 C ATOM 1266 CG1 VAL A 78 8.366 -1.071 7.281 1.00 0.00 C ATOM 1267 CG2 VAL A 78 5.885 -1.316 7.044 1.00 0.00 C ATOM 0 H VAL A 78 7.035 -0.569 9.603 1.00 0.00 H new ATOM 0 HA VAL A 78 7.468 1.641 7.734 1.00 0.00 H new ATOM 0 HB VAL A 78 7.111 0.083 6.007 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.497 -1.874 6.555 1.00 0.00 H new ATOM 0 HG12 VAL A 78 9.194 -0.368 7.198 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.346 -1.491 8.287 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.051 -2.116 6.322 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.796 -1.742 8.043 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.967 -0.785 6.793 1.00 0.00 H new ATOM 1277 N LYS A 79 5.098 2.322 7.327 1.00 0.00 N ATOM 1278 CA LYS A 79 3.735 2.832 7.227 1.00 0.00 C ATOM 1279 C LYS A 79 3.105 2.444 5.893 1.00 0.00 C ATOM 1280 O LYS A 79 3.673 2.694 4.830 1.00 0.00 O ATOM 1281 CB LYS A 79 3.724 4.354 7.384 1.00 0.00 C ATOM 1282 CG LYS A 79 4.519 5.081 6.314 1.00 0.00 C ATOM 1283 CD LYS A 79 4.390 6.589 6.452 1.00 0.00 C ATOM 1284 CE LYS A 79 3.025 7.077 5.991 1.00 0.00 C ATOM 1285 NZ LYS A 79 2.879 8.549 6.152 1.00 0.00 N ATOM 0 H LYS A 79 5.795 2.886 6.842 1.00 0.00 H new ATOM 0 HA LYS A 79 3.148 2.386 8.030 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.693 4.706 7.361 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.127 4.613 8.363 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.569 4.797 6.383 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.170 4.774 5.328 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.547 6.875 7.492 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.169 7.077 5.866 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.878 6.810 4.944 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.247 6.570 6.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.936 8.842 5.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.994 8.802 7.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.606 9.034 5.588 1.00 0.00 H new ATOM 1299 N VAL A 80 1.927 1.831 5.956 1.00 0.00 N ATOM 1300 CA VAL A 80 1.218 1.411 4.753 1.00 0.00 C ATOM 1301 C VAL A 80 -0.154 2.068 4.666 1.00 0.00 C ATOM 1302 O VAL A 80 -0.930 2.039 5.620 1.00 0.00 O ATOM 1303 CB VAL A 80 1.047 -0.119 4.708 1.00 0.00 C ATOM 1304 CG1 VAL A 80 0.523 -0.558 3.349 1.00 0.00 C ATOM 1305 CG2 VAL A 80 2.362 -0.813 5.032 1.00 0.00 C ATOM 0 H VAL A 80 1.444 1.614 6.828 1.00 0.00 H new ATOM 0 HA VAL A 80 1.823 1.727 3.903 1.00 0.00 H new ATOM 0 HB VAL A 80 0.316 -0.407 5.463 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.409 -1.642 3.336 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.443 -0.089 3.163 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.228 -0.258 2.573 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.222 -1.893 4.995 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.117 -0.520 4.303 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.690 -0.523 6.030 1.00 0.00 H new ATOM 1315 N ASN A 81 -0.449 2.660 3.512 1.00 0.00 N ATOM 1316 CA ASN A 81 -1.729 3.326 3.300 1.00 0.00 C ATOM 1317 C ASN A 81 -2.221 3.115 1.871 1.00 0.00 C ATOM 1318 O ASN A 81 -1.449 2.742 0.987 1.00 0.00 O ATOM 1319 CB ASN A 81 -1.605 4.822 3.592 1.00 0.00 C ATOM 1320 CG ASN A 81 -2.929 5.447 3.986 1.00 0.00 C ATOM 1321 OD1 ASN A 81 -3.925 4.749 4.175 1.00 0.00 O ATOM 1322 ND2 ASN A 81 -2.945 6.769 4.111 1.00 0.00 N ATOM 0 H ASN A 81 0.181 2.692 2.710 1.00 0.00 H new ATOM 0 HA ASN A 81 -2.455 2.889 3.985 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -0.882 4.974 4.393 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -1.215 5.330 2.710 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.807 7.246 4.374 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.095 7.307 3.944 1.00 0.00 H new ATOM 1329 N TRP A 82 -3.508 3.356 1.653 1.00 0.00 N ATOM 1330 CA TRP A 82 -4.104 3.194 0.332 1.00 0.00 C ATOM 1331 C TRP A 82 -3.494 4.175 -0.664 1.00 0.00 C ATOM 1332 O TRP A 82 -3.545 5.387 -0.464 1.00 0.00 O ATOM 1333 CB TRP A 82 -5.618 3.394 0.403 1.00 0.00 C ATOM 1334 CG TRP A 82 -6.335 2.270 1.087 1.00 0.00 C ATOM 1335 CD1 TRP A 82 -6.864 2.281 2.346 1.00 0.00 C ATOM 1336 CD2 TRP A 82 -6.599 0.969 0.551 1.00 0.00 C ATOM 1337 NE1 TRP A 82 -7.442 1.066 2.624 1.00 0.00 N ATOM 1338 CE2 TRP A 82 -7.292 0.244 1.539 1.00 0.00 C ATOM 1339 CE3 TRP A 82 -6.318 0.348 -0.669 1.00 0.00 C ATOM 1340 CZ2 TRP A 82 -7.708 -1.071 1.343 1.00 0.00 C ATOM 1341 CZ3 TRP A 82 -6.731 -0.957 -0.863 1.00 0.00 C ATOM 1342 CH2 TRP A 82 -7.420 -1.655 0.139 1.00 0.00 C ATOM 0 H TRP A 82 -4.160 3.665 2.374 1.00 0.00 H new ATOM 0 HA TRP A 82 -3.896 2.180 -0.011 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -5.830 4.324 0.930 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -6.010 3.504 -0.608 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -6.833 3.121 3.024 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -7.907 0.817 3.497 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -5.788 0.878 -1.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -8.239 -1.610 2.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -6.519 -1.447 -1.802 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -7.730 -2.674 -0.043 1.00 0.00 H new ATOM 1353 N ALA A 83 -2.919 3.641 -1.737 1.00 0.00 N ATOM 1354 CA ALA A 83 -2.302 4.470 -2.765 1.00 0.00 C ATOM 1355 C ALA A 83 -3.359 5.142 -3.635 1.00 0.00 C ATOM 1356 O ALA A 83 -3.503 6.365 -3.622 1.00 0.00 O ATOM 1357 CB ALA A 83 -1.362 3.636 -3.623 1.00 0.00 C ATOM 0 H ALA A 83 -2.868 2.638 -1.917 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.726 5.251 -2.269 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.909 4.268 -4.386 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.580 3.208 -2.996 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.923 2.834 -4.103 1.00 0.00 H new