USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 406 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 HIS : no HD1:sc= -0.514 K(o=2.5,f=-11!) USER MOD Set 1.2: A 57 CYS SG : rot -135:sc= 0.644 USER MOD Set 1.3: A 60 CYS SG : rot 22:sc= 2.34 USER MOD Set 2.1: A 20 CYS SG : rot 180:sc= 0.855 USER MOD Set 2.2: A 23 CYS SG : rot -143:sc= 1.01 USER MOD Set 2.3: A 26 ASN : amide:sc= -0.258 K(o=2.3,f=1.1) USER MOD Set 2.4: A 33 THR OG1 : rot -92:sc= 0.721! USER MOD Set 2.5: A 40 THR OG1 : rot 112:sc= 0.0107 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -2.18 K(o=-2.2,f=-1.5) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0386 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 47 CYS SG : rot 180:sc= -0.0315 USER MOD Single : A 49 SER OG : rot -95:sc= 0.53 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.0921 X(o=-0.092,f=-0.1) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 CYS SG : rot 180:sc= -0.0265 USER MOD Single : A 54 SER OG : rot -44:sc= 0.963 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : A 64 LYS NZ :NH3+ -176:sc= 0.00458 (180deg=-0.0107) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 221 N GLY A 16 61.622 -3.018 19.827 1.00 0.00 N ATOM 222 CA GLY A 16 63.063 -2.954 20.011 1.00 0.00 C ATOM 223 C GLY A 16 63.584 -1.578 19.661 1.00 0.00 C ATOM 224 O GLY A 16 62.849 -0.742 19.138 1.00 0.00 O ATOM 0 HA2 GLY A 16 63.314 -3.192 21.045 1.00 0.00 H new ATOM 0 HA3 GLY A 16 63.549 -3.703 19.385 1.00 0.00 H new ATOM 228 N LYS A 17 64.854 -1.354 19.951 1.00 0.00 N ATOM 229 CA LYS A 17 65.484 -0.085 19.667 1.00 0.00 C ATOM 230 C LYS A 17 65.667 0.023 18.171 1.00 0.00 C ATOM 231 O LYS A 17 65.353 1.038 17.580 1.00 0.00 O ATOM 232 CB LYS A 17 66.844 -0.009 20.391 1.00 0.00 C ATOM 233 CG LYS A 17 66.732 -0.402 21.897 1.00 0.00 C ATOM 234 CD LYS A 17 65.721 0.485 22.660 1.00 0.00 C ATOM 235 CE LYS A 17 65.981 0.413 24.159 1.00 0.00 C ATOM 236 NZ LYS A 17 64.790 0.952 24.867 1.00 0.00 N ATOM 0 H LYS A 17 65.469 -2.042 20.386 1.00 0.00 H new ATOM 0 HA LYS A 17 64.866 0.741 20.020 1.00 0.00 H new ATOM 0 HB2 LYS A 17 67.555 -0.671 19.896 1.00 0.00 H new ATOM 0 HB3 LYS A 17 67.241 1.003 20.310 1.00 0.00 H new ATOM 0 HG2 LYS A 17 66.429 -1.446 21.976 1.00 0.00 H new ATOM 0 HG3 LYS A 17 67.712 -0.318 22.366 1.00 0.00 H new ATOM 0 HD2 LYS A 17 65.803 1.517 22.319 1.00 0.00 H new ATOM 0 HD3 LYS A 17 64.704 0.157 22.444 1.00 0.00 H new ATOM 0 HE2 LYS A 17 66.169 -0.617 24.462 1.00 0.00 H new ATOM 0 HE3 LYS A 17 66.869 0.989 24.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 64.949 0.911 25.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 64.633 1.939 24.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 63.954 0.383 24.623 1.00 0.00 H new ATOM 250 N HIS A 18 66.232 -1.018 17.582 1.00 0.00 N ATOM 251 CA HIS A 18 66.514 -1.019 16.151 1.00 0.00 C ATOM 252 C HIS A 18 65.318 -0.651 15.285 1.00 0.00 C ATOM 253 O HIS A 18 65.500 -0.096 14.198 1.00 0.00 O ATOM 254 CB HIS A 18 66.967 -2.410 15.693 1.00 0.00 C ATOM 255 CG HIS A 18 68.203 -2.341 14.833 1.00 0.00 C ATOM 256 ND1 HIS A 18 69.154 -3.341 14.836 1.00 0.00 N ATOM 257 CD2 HIS A 18 68.662 -1.389 13.968 1.00 0.00 C ATOM 258 CE1 HIS A 18 70.128 -2.965 13.993 1.00 0.00 C ATOM 259 NE2 HIS A 18 69.879 -1.769 13.431 1.00 0.00 N ATOM 0 H HIS A 18 66.505 -1.872 18.068 1.00 0.00 H new ATOM 0 HA HIS A 18 67.290 -0.264 16.022 1.00 0.00 H new ATOM 0 HB2 HIS A 18 67.165 -3.033 16.565 1.00 0.00 H new ATOM 0 HB3 HIS A 18 66.162 -2.889 15.135 1.00 0.00 H new ATOM 0 HD2 HIS A 18 68.147 -0.469 13.736 1.00 0.00 H new ATOM 0 HE1 HIS A 18 71.010 -3.555 13.789 1.00 0.00 H new ATOM 0 HE2 HIS A 18 70.455 -1.259 12.762 1.00 0.00 H new ATOM 266 N ILE A 19 64.125 -0.966 15.784 1.00 0.00 N ATOM 267 CA ILE A 19 62.867 -0.695 15.075 1.00 0.00 C ATOM 268 C ILE A 19 62.084 0.365 15.813 1.00 0.00 C ATOM 269 O ILE A 19 61.683 0.169 16.961 1.00 0.00 O ATOM 270 CB ILE A 19 62.022 -1.997 14.973 1.00 0.00 C ATOM 271 CG1 ILE A 19 62.698 -2.986 13.986 1.00 0.00 C ATOM 272 CG2 ILE A 19 60.572 -1.702 14.476 1.00 0.00 C ATOM 273 CD1 ILE A 19 62.353 -4.447 14.338 1.00 0.00 C ATOM 0 H ILE A 19 63.998 -1.416 16.690 1.00 0.00 H new ATOM 0 HA ILE A 19 63.095 -0.340 14.070 1.00 0.00 H new ATOM 0 HB ILE A 19 61.966 -2.433 15.970 1.00 0.00 H new ATOM 0 HG12 ILE A 19 62.373 -2.768 12.969 1.00 0.00 H new ATOM 0 HG13 ILE A 19 63.779 -2.848 14.012 1.00 0.00 H new ATOM 0 HG21 ILE A 19 60.011 -2.635 14.417 1.00 0.00 H new ATOM 0 HG22 ILE A 19 60.079 -1.025 15.174 1.00 0.00 H new ATOM 0 HG23 ILE A 19 60.612 -1.240 13.490 1.00 0.00 H new ATOM 0 HD11 ILE A 19 62.840 -5.117 13.630 1.00 0.00 H new ATOM 0 HD12 ILE A 19 62.701 -4.670 15.347 1.00 0.00 H new ATOM 0 HD13 ILE A 19 61.273 -4.588 14.287 1.00 0.00 H new ATOM 285 N CYS A 20 61.836 1.461 15.123 1.00 0.00 N ATOM 286 CA CYS A 20 61.049 2.543 15.690 1.00 0.00 C ATOM 287 C CYS A 20 59.579 2.126 15.653 1.00 0.00 C ATOM 288 O CYS A 20 59.186 1.353 14.788 1.00 0.00 O ATOM 289 CB CYS A 20 61.270 3.818 14.885 1.00 0.00 C ATOM 290 SG CYS A 20 60.146 5.108 15.462 1.00 0.00 S ATOM 0 H CYS A 20 62.166 1.627 14.172 1.00 0.00 H new ATOM 0 HA CYS A 20 61.349 2.740 16.719 1.00 0.00 H new ATOM 0 HB2 CYS A 20 62.303 4.150 14.989 1.00 0.00 H new ATOM 0 HB3 CYS A 20 61.102 3.624 13.826 1.00 0.00 H new ATOM 0 HG CYS A 20 60.341 6.193 14.773 1.00 0.00 H new ATOM 295 N ALA A 21 58.780 2.602 16.601 1.00 0.00 N ATOM 296 CA ALA A 21 57.362 2.233 16.662 1.00 0.00 C ATOM 297 C ALA A 21 56.539 2.996 15.634 1.00 0.00 C ATOM 298 O ALA A 21 55.371 2.663 15.416 1.00 0.00 O ATOM 299 CB ALA A 21 56.814 2.546 18.051 1.00 0.00 C ATOM 0 H ALA A 21 59.083 3.241 17.336 1.00 0.00 H new ATOM 0 HA ALA A 21 57.287 1.167 16.447 1.00 0.00 H new ATOM 0 HB1 ALA A 21 55.760 2.272 18.097 1.00 0.00 H new ATOM 0 HB2 ALA A 21 57.369 1.978 18.798 1.00 0.00 H new ATOM 0 HB3 ALA A 21 56.921 3.612 18.253 1.00 0.00 H new ATOM 305 N ILE A 22 57.158 4.034 15.055 1.00 0.00 N ATOM 306 CA ILE A 22 56.509 4.923 14.070 1.00 0.00 C ATOM 307 C ILE A 22 57.165 4.791 12.688 1.00 0.00 C ATOM 308 O ILE A 22 56.579 4.235 11.759 1.00 0.00 O ATOM 309 CB ILE A 22 56.604 6.403 14.573 1.00 0.00 C ATOM 310 CG1 ILE A 22 55.720 6.597 15.834 1.00 0.00 C ATOM 311 CG2 ILE A 22 56.131 7.415 13.485 1.00 0.00 C ATOM 312 CD1 ILE A 22 56.276 7.717 16.735 1.00 0.00 C ATOM 0 H ILE A 22 58.126 4.285 15.254 1.00 0.00 H new ATOM 0 HA ILE A 22 55.463 4.633 13.971 1.00 0.00 H new ATOM 0 HB ILE A 22 57.652 6.595 14.805 1.00 0.00 H new ATOM 0 HG12 ILE A 22 54.701 6.840 15.533 1.00 0.00 H new ATOM 0 HG13 ILE A 22 55.673 5.664 16.396 1.00 0.00 H new ATOM 0 HG21 ILE A 22 56.212 8.430 13.873 1.00 0.00 H new ATOM 0 HG22 ILE A 22 56.756 7.314 12.598 1.00 0.00 H new ATOM 0 HG23 ILE A 22 55.093 7.209 13.223 1.00 0.00 H new ATOM 0 HD11 ILE A 22 55.637 7.831 17.611 1.00 0.00 H new ATOM 0 HD12 ILE A 22 57.286 7.460 17.054 1.00 0.00 H new ATOM 0 HD13 ILE A 22 56.299 8.654 16.178 1.00 0.00 H new ATOM 324 N CYS A 23 58.351 5.372 12.550 1.00 0.00 N ATOM 325 CA CYS A 23 59.062 5.398 11.275 1.00 0.00 C ATOM 326 C CYS A 23 59.523 4.024 10.856 1.00 0.00 C ATOM 327 O CYS A 23 59.878 3.813 9.693 1.00 0.00 O ATOM 328 CB CYS A 23 60.268 6.309 11.393 1.00 0.00 C ATOM 329 SG CYS A 23 59.900 7.647 12.553 1.00 0.00 S ATOM 0 H CYS A 23 58.845 5.836 13.312 1.00 0.00 H new ATOM 0 HA CYS A 23 58.371 5.767 10.517 1.00 0.00 H new ATOM 0 HB2 CYS A 23 61.133 5.742 11.737 1.00 0.00 H new ATOM 0 HB3 CYS A 23 60.524 6.720 10.416 1.00 0.00 H new ATOM 0 HG CYS A 23 60.453 8.747 12.136 1.00 0.00 H new ATOM 334 N GLY A 24 59.514 3.108 11.812 1.00 0.00 N ATOM 335 CA GLY A 24 59.922 1.738 11.569 1.00 0.00 C ATOM 336 C GLY A 24 61.427 1.518 11.725 1.00 0.00 C ATOM 337 O GLY A 24 61.831 0.371 11.868 1.00 0.00 O ATOM 0 H GLY A 24 59.225 3.294 12.772 1.00 0.00 H new ATOM 0 HA2 GLY A 24 59.392 1.081 12.259 1.00 0.00 H new ATOM 0 HA3 GLY A 24 59.622 1.450 10.561 1.00 0.00 H new ATOM 341 N ASN A 25 62.267 2.583 11.691 1.00 0.00 N ATOM 342 CA ASN A 25 63.737 2.389 11.826 1.00 0.00 C ATOM 343 C ASN A 25 64.522 3.710 12.102 1.00 0.00 C ATOM 344 O ASN A 25 65.744 3.749 11.915 1.00 0.00 O ATOM 345 CB ASN A 25 64.273 1.704 10.541 1.00 0.00 C ATOM 346 CG ASN A 25 64.466 0.211 10.769 1.00 0.00 C ATOM 347 OD1 ASN A 25 65.359 -0.208 11.506 1.00 0.00 O ATOM 348 ND2 ASN A 25 63.667 -0.626 10.167 1.00 0.00 N ATOM 0 H ASN A 25 61.969 3.552 11.576 1.00 0.00 H new ATOM 0 HA ASN A 25 63.901 1.759 12.700 1.00 0.00 H new ATOM 0 HB2 ASN A 25 63.575 1.864 9.719 1.00 0.00 H new ATOM 0 HB3 ASN A 25 65.220 2.158 10.249 1.00 0.00 H new ATOM 0 HD21 ASN A 25 63.781 -1.630 10.306 1.00 0.00 H new ATOM 0 HD22 ASN A 25 62.928 -0.277 9.557 1.00 0.00 H new ATOM 355 N ASN A 26 63.864 4.761 12.615 1.00 0.00 N ATOM 356 CA ASN A 26 64.591 6.029 12.927 1.00 0.00 C ATOM 357 C ASN A 26 65.130 6.017 14.353 1.00 0.00 C ATOM 358 O ASN A 26 65.861 6.918 14.768 1.00 0.00 O ATOM 359 CB ASN A 26 63.692 7.241 12.730 1.00 0.00 C ATOM 360 CG ASN A 26 63.627 7.587 11.241 1.00 0.00 C ATOM 361 OD1 ASN A 26 63.991 8.693 10.853 1.00 0.00 O ATOM 362 ND2 ASN A 26 63.174 6.710 10.385 1.00 0.00 N ATOM 0 H ASN A 26 62.865 4.774 12.821 1.00 0.00 H new ATOM 0 HA ASN A 26 65.430 6.098 12.235 1.00 0.00 H new ATOM 0 HB2 ASN A 26 62.692 7.032 13.110 1.00 0.00 H new ATOM 0 HB3 ASN A 26 64.077 8.089 13.296 1.00 0.00 H new ATOM 0 HD21 ASN A 26 63.123 6.944 9.394 1.00 0.00 H new ATOM 0 HD22 ASN A 26 62.872 5.791 10.708 1.00 0.00 H new ATOM 369 N ALA A 27 64.778 4.964 15.077 1.00 0.00 N ATOM 370 CA ALA A 27 65.218 4.782 16.441 1.00 0.00 C ATOM 371 C ALA A 27 66.634 4.237 16.407 1.00 0.00 C ATOM 372 O ALA A 27 66.891 3.099 16.810 1.00 0.00 O ATOM 373 CB ALA A 27 64.264 3.821 17.167 1.00 0.00 C ATOM 0 H ALA A 27 64.179 4.215 14.730 1.00 0.00 H new ATOM 0 HA ALA A 27 65.210 5.727 16.985 1.00 0.00 H new ATOM 0 HB1 ALA A 27 64.598 3.685 18.196 1.00 0.00 H new ATOM 0 HB2 ALA A 27 63.257 4.237 17.164 1.00 0.00 H new ATOM 0 HB3 ALA A 27 64.260 2.858 16.657 1.00 0.00 H new ATOM 379 N GLU A 28 67.552 5.063 15.892 1.00 0.00 N ATOM 380 CA GLU A 28 68.948 4.674 15.774 1.00 0.00 C ATOM 381 C GLU A 28 69.840 5.899 15.584 1.00 0.00 C ATOM 382 O GLU A 28 70.737 6.135 16.394 1.00 0.00 O ATOM 383 CB GLU A 28 69.121 3.700 14.577 1.00 0.00 C ATOM 384 CG GLU A 28 70.587 3.270 14.380 1.00 0.00 C ATOM 385 CD GLU A 28 70.649 2.094 13.411 1.00 0.00 C ATOM 386 OE1 GLU A 28 70.329 0.988 13.813 1.00 0.00 O ATOM 387 OE2 GLU A 28 70.995 2.329 12.266 1.00 0.00 O ATOM 0 H GLU A 28 67.346 6.003 15.553 1.00 0.00 H new ATOM 0 HA GLU A 28 69.247 4.174 16.695 1.00 0.00 H new ATOM 0 HB2 GLU A 28 68.504 2.816 14.739 1.00 0.00 H new ATOM 0 HB3 GLU A 28 68.760 4.179 13.667 1.00 0.00 H new ATOM 0 HG2 GLU A 28 71.172 4.104 13.993 1.00 0.00 H new ATOM 0 HG3 GLU A 28 71.026 2.989 15.337 1.00 0.00 H new ATOM 394 N ASP A 29 69.590 6.636 14.488 1.00 0.00 N ATOM 395 CA ASP A 29 70.381 7.822 14.127 1.00 0.00 C ATOM 396 C ASP A 29 69.702 9.115 14.565 1.00 0.00 C ATOM 397 O ASP A 29 70.024 9.628 15.639 1.00 0.00 O ATOM 398 CB ASP A 29 70.641 7.824 12.611 1.00 0.00 C ATOM 399 CG ASP A 29 69.424 7.310 11.851 1.00 0.00 C ATOM 400 OD1 ASP A 29 69.214 6.109 11.854 1.00 0.00 O ATOM 401 OD2 ASP A 29 68.715 8.126 11.285 1.00 0.00 O ATOM 0 H ASP A 29 68.838 6.427 13.832 1.00 0.00 H new ATOM 0 HA ASP A 29 71.333 7.772 14.656 1.00 0.00 H new ATOM 0 HB2 ASP A 29 70.881 8.834 12.280 1.00 0.00 H new ATOM 0 HB3 ASP A 29 71.506 7.200 12.385 1.00 0.00 H new ATOM 406 N TYR A 30 68.774 9.618 13.730 1.00 0.00 N ATOM 407 CA TYR A 30 68.031 10.855 14.002 1.00 0.00 C ATOM 408 C TYR A 30 66.585 10.524 14.279 1.00 0.00 C ATOM 409 O TYR A 30 66.154 9.416 13.991 1.00 0.00 O ATOM 410 CB TYR A 30 68.112 11.785 12.794 1.00 0.00 C ATOM 411 CG TYR A 30 69.570 12.218 12.579 1.00 0.00 C ATOM 412 CD1 TYR A 30 70.115 13.216 13.393 1.00 0.00 C ATOM 413 CD2 TYR A 30 70.348 11.629 11.576 1.00 0.00 C ATOM 414 CE1 TYR A 30 71.440 13.625 13.204 1.00 0.00 C ATOM 415 CE2 TYR A 30 71.674 12.036 11.388 1.00 0.00 C ATOM 416 CZ TYR A 30 72.221 13.036 12.203 1.00 0.00 C ATOM 417 OH TYR A 30 73.529 13.440 12.022 1.00 0.00 O ATOM 0 H TYR A 30 68.520 9.175 12.847 1.00 0.00 H new ATOM 0 HA TYR A 30 68.468 11.350 14.869 1.00 0.00 H new ATOM 0 HB2 TYR A 30 67.737 11.278 11.905 1.00 0.00 H new ATOM 0 HB3 TYR A 30 67.481 12.660 12.952 1.00 0.00 H new ATOM 0 HD1 TYR A 30 69.514 13.671 14.167 1.00 0.00 H new ATOM 0 HD2 TYR A 30 69.925 10.860 10.947 1.00 0.00 H new ATOM 0 HE1 TYR A 30 71.861 14.397 13.832 1.00 0.00 H new ATOM 0 HE2 TYR A 30 72.275 11.580 10.615 1.00 0.00 H new ATOM 0 HH TYR A 30 73.930 12.931 11.287 1.00 0.00 H new ATOM 427 N LYS A 31 65.872 11.498 14.863 1.00 0.00 N ATOM 428 CA LYS A 31 64.458 11.352 15.230 1.00 0.00 C ATOM 429 C LYS A 31 63.665 12.537 14.681 1.00 0.00 C ATOM 430 O LYS A 31 62.834 13.130 15.374 1.00 0.00 O ATOM 431 CB LYS A 31 64.326 11.283 16.776 1.00 0.00 C ATOM 432 CG LYS A 31 64.983 9.990 17.336 1.00 0.00 C ATOM 433 CD LYS A 31 64.860 9.937 18.883 1.00 0.00 C ATOM 434 CE LYS A 31 65.506 8.654 19.442 1.00 0.00 C ATOM 435 NZ LYS A 31 65.380 8.657 20.924 1.00 0.00 N ATOM 0 H LYS A 31 66.262 12.412 15.094 1.00 0.00 H new ATOM 0 HA LYS A 31 64.060 10.432 14.802 1.00 0.00 H new ATOM 0 HB2 LYS A 31 64.798 12.158 17.224 1.00 0.00 H new ATOM 0 HB3 LYS A 31 63.273 11.310 17.056 1.00 0.00 H new ATOM 0 HG2 LYS A 31 64.504 9.114 16.898 1.00 0.00 H new ATOM 0 HG3 LYS A 31 66.034 9.956 17.048 1.00 0.00 H new ATOM 0 HD2 LYS A 31 65.341 10.812 19.320 1.00 0.00 H new ATOM 0 HD3 LYS A 31 63.809 9.975 19.170 1.00 0.00 H new ATOM 0 HE2 LYS A 31 65.018 7.773 19.024 1.00 0.00 H new ATOM 0 HE3 LYS A 31 66.556 8.604 19.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 65.813 7.794 21.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 65.864 9.492 21.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 64.374 8.687 21.187 1.00 0.00 H new ATOM 449 N HIS A 32 63.934 12.863 13.416 1.00 0.00 N ATOM 450 CA HIS A 32 63.258 13.969 12.739 1.00 0.00 C ATOM 451 C HIS A 32 61.949 13.525 12.093 1.00 0.00 C ATOM 452 O HIS A 32 60.986 14.293 12.064 1.00 0.00 O ATOM 453 CB HIS A 32 64.172 14.547 11.666 1.00 0.00 C ATOM 454 CG HIS A 32 65.010 15.641 12.267 1.00 0.00 C ATOM 455 ND1 HIS A 32 66.193 15.385 12.939 1.00 0.00 N ATOM 456 CD2 HIS A 32 64.840 17.004 12.317 1.00 0.00 C ATOM 457 CE1 HIS A 32 66.687 16.562 13.363 1.00 0.00 C ATOM 458 NE2 HIS A 32 65.902 17.584 13.009 1.00 0.00 N ATOM 0 H HIS A 32 64.618 12.374 12.838 1.00 0.00 H new ATOM 0 HA HIS A 32 63.027 14.724 13.490 1.00 0.00 H new ATOM 0 HB2 HIS A 32 64.812 13.765 11.257 1.00 0.00 H new ATOM 0 HB3 HIS A 32 63.580 14.939 10.839 1.00 0.00 H new ATOM 0 HD2 HIS A 32 64.010 17.544 11.886 1.00 0.00 H new ATOM 0 HE1 HIS A 32 67.605 16.668 13.921 1.00 0.00 H new ATOM 0 HE2 HIS A 32 66.048 18.575 13.203 1.00 0.00 H new ATOM 466 N THR A 33 61.922 12.291 11.578 1.00 0.00 N ATOM 467 CA THR A 33 60.727 11.763 10.920 1.00 0.00 C ATOM 468 C THR A 33 59.714 11.284 11.951 1.00 0.00 C ATOM 469 O THR A 33 58.596 10.924 11.606 1.00 0.00 O ATOM 470 CB THR A 33 61.102 10.612 9.976 1.00 0.00 C ATOM 471 OG1 THR A 33 61.450 9.475 10.741 1.00 0.00 O ATOM 472 CG2 THR A 33 62.299 11.003 9.090 1.00 0.00 C ATOM 0 H THR A 33 62.710 11.644 11.605 1.00 0.00 H new ATOM 0 HA THR A 33 60.275 12.565 10.336 1.00 0.00 H new ATOM 0 HB THR A 33 60.246 10.393 9.338 1.00 0.00 H new ATOM 0 HG1 THR A 33 62.416 9.474 10.904 1.00 0.00 H new ATOM 0 HG21 THR A 33 62.548 10.173 8.429 1.00 0.00 H new ATOM 0 HG22 THR A 33 62.040 11.877 8.493 1.00 0.00 H new ATOM 0 HG23 THR A 33 63.158 11.235 9.720 1.00 0.00 H new ATOM 480 N ASP A 34 60.105 11.295 13.217 1.00 0.00 N ATOM 481 CA ASP A 34 59.198 10.882 14.284 1.00 0.00 C ATOM 482 C ASP A 34 58.010 11.824 14.355 1.00 0.00 C ATOM 483 O ASP A 34 56.892 11.414 14.664 1.00 0.00 O ATOM 484 CB ASP A 34 59.931 10.856 15.626 1.00 0.00 C ATOM 485 CG ASP A 34 60.651 9.522 15.804 1.00 0.00 C ATOM 486 OD1 ASP A 34 59.976 8.525 15.957 1.00 0.00 O ATOM 487 OD2 ASP A 34 61.867 9.519 15.790 1.00 0.00 O ATOM 0 H ASP A 34 61.032 11.581 13.531 1.00 0.00 H new ATOM 0 HA ASP A 34 58.838 9.877 14.065 1.00 0.00 H new ATOM 0 HB2 ASP A 34 60.649 11.675 15.673 1.00 0.00 H new ATOM 0 HB3 ASP A 34 59.222 11.007 16.440 1.00 0.00 H new ATOM 492 N MET A 35 58.263 13.088 14.068 1.00 0.00 N ATOM 493 CA MET A 35 57.209 14.096 14.099 1.00 0.00 C ATOM 494 C MET A 35 56.156 13.826 13.025 1.00 0.00 C ATOM 495 O MET A 35 54.958 13.946 13.292 1.00 0.00 O ATOM 496 CB MET A 35 57.818 15.490 13.883 1.00 0.00 C ATOM 497 CG MET A 35 58.537 15.968 15.155 1.00 0.00 C ATOM 498 SD MET A 35 59.530 17.440 14.779 1.00 0.00 S ATOM 499 CE MET A 35 58.323 18.725 15.217 1.00 0.00 C ATOM 0 H MET A 35 59.184 13.444 13.811 1.00 0.00 H new ATOM 0 HA MET A 35 56.724 14.051 15.074 1.00 0.00 H new ATOM 0 HB2 MET A 35 58.521 15.461 13.050 1.00 0.00 H new ATOM 0 HB3 MET A 35 57.034 16.198 13.614 1.00 0.00 H new ATOM 0 HG2 MET A 35 57.808 16.198 15.932 1.00 0.00 H new ATOM 0 HG3 MET A 35 59.177 15.175 15.543 1.00 0.00 H new ATOM 0 HE1 MET A 35 58.762 19.709 15.049 1.00 0.00 H new ATOM 0 HE2 MET A 35 57.433 18.614 14.598 1.00 0.00 H new ATOM 0 HE3 MET A 35 58.049 18.624 16.267 1.00 0.00 H new ATOM 509 N ASP A 36 56.617 13.461 11.822 1.00 0.00 N ATOM 510 CA ASP A 36 55.723 13.167 10.693 1.00 0.00 C ATOM 511 C ASP A 36 55.276 11.711 10.730 1.00 0.00 C ATOM 512 O ASP A 36 56.068 10.826 11.040 1.00 0.00 O ATOM 513 CB ASP A 36 56.451 13.435 9.375 1.00 0.00 C ATOM 514 CG ASP A 36 56.900 14.893 9.309 1.00 0.00 C ATOM 515 OD1 ASP A 36 56.051 15.760 9.428 1.00 0.00 O ATOM 516 OD2 ASP A 36 58.087 15.117 9.145 1.00 0.00 O ATOM 0 H ASP A 36 57.609 13.362 11.604 1.00 0.00 H new ATOM 0 HA ASP A 36 54.846 13.810 10.770 1.00 0.00 H new ATOM 0 HB2 ASP A 36 57.315 12.776 9.288 1.00 0.00 H new ATOM 0 HB3 ASP A 36 55.793 13.211 8.535 1.00 0.00 H new ATOM 521 N LEU A 37 54.005 11.483 10.399 1.00 0.00 N ATOM 522 CA LEU A 37 53.419 10.138 10.387 1.00 0.00 C ATOM 523 C LEU A 37 53.578 9.522 9.010 1.00 0.00 C ATOM 524 O LEU A 37 52.906 8.539 8.686 1.00 0.00 O ATOM 525 CB LEU A 37 51.916 10.207 10.727 1.00 0.00 C ATOM 526 CG LEU A 37 51.623 11.202 11.902 1.00 0.00 C ATOM 527 CD1 LEU A 37 50.140 11.148 12.300 1.00 0.00 C ATOM 528 CD2 LEU A 37 52.466 10.883 13.158 1.00 0.00 C ATOM 0 H LEU A 37 53.353 12.221 10.132 1.00 0.00 H new ATOM 0 HA LEU A 37 53.934 9.530 11.131 1.00 0.00 H new ATOM 0 HB2 LEU A 37 51.359 10.516 9.843 1.00 0.00 H new ATOM 0 HB3 LEU A 37 51.560 9.213 10.997 1.00 0.00 H new ATOM 0 HG LEU A 37 51.887 12.195 11.537 1.00 0.00 H new ATOM 0 HD11 LEU A 37 49.957 11.846 13.117 1.00 0.00 H new ATOM 0 HD12 LEU A 37 49.523 11.422 11.444 1.00 0.00 H new ATOM 0 HD13 LEU A 37 49.886 10.138 12.622 1.00 0.00 H new ATOM 0 HD21 LEU A 37 52.230 11.598 13.946 1.00 0.00 H new ATOM 0 HD22 LEU A 37 52.238 9.874 13.503 1.00 0.00 H new ATOM 0 HD23 LEU A 37 53.526 10.951 12.912 1.00 0.00 H new ATOM 540 N THR A 38 54.485 10.094 8.218 1.00 0.00 N ATOM 541 CA THR A 38 54.753 9.594 6.874 1.00 0.00 C ATOM 542 C THR A 38 55.706 8.406 6.943 1.00 0.00 C ATOM 543 O THR A 38 56.447 8.261 7.918 1.00 0.00 O ATOM 544 CB THR A 38 55.381 10.702 6.017 1.00 0.00 C ATOM 545 OG1 THR A 38 56.395 11.360 6.766 1.00 0.00 O ATOM 546 CG2 THR A 38 54.314 11.722 5.600 1.00 0.00 C ATOM 0 H THR A 38 55.045 10.903 8.486 1.00 0.00 H new ATOM 0 HA THR A 38 53.812 9.278 6.422 1.00 0.00 H new ATOM 0 HB THR A 38 55.812 10.255 5.121 1.00 0.00 H new ATOM 0 HG1 THR A 38 56.798 12.067 6.220 1.00 0.00 H new ATOM 0 HG21 THR A 38 54.774 12.502 4.993 1.00 0.00 H new ATOM 0 HG22 THR A 38 53.538 11.221 5.021 1.00 0.00 H new ATOM 0 HG23 THR A 38 53.871 12.169 6.490 1.00 0.00 H new ATOM 554 N TYR A 39 55.675 7.572 5.902 1.00 0.00 N ATOM 555 CA TYR A 39 56.531 6.383 5.827 1.00 0.00 C ATOM 556 C TYR A 39 57.925 6.749 5.324 1.00 0.00 C ATOM 557 O TYR A 39 58.073 7.528 4.382 1.00 0.00 O ATOM 558 CB TYR A 39 55.900 5.360 4.888 1.00 0.00 C ATOM 559 CG TYR A 39 54.590 4.843 5.504 1.00 0.00 C ATOM 560 CD1 TYR A 39 53.386 5.507 5.244 1.00 0.00 C ATOM 561 CD2 TYR A 39 54.599 3.703 6.315 1.00 0.00 C ATOM 562 CE1 TYR A 39 52.191 5.028 5.793 1.00 0.00 C ATOM 563 CE2 TYR A 39 53.407 3.226 6.864 1.00 0.00 C ATOM 564 CZ TYR A 39 52.202 3.890 6.606 1.00 0.00 C ATOM 565 OH TYR A 39 51.022 3.418 7.150 1.00 0.00 O ATOM 0 H TYR A 39 55.064 7.698 5.095 1.00 0.00 H new ATOM 0 HA TYR A 39 56.625 5.959 6.827 1.00 0.00 H new ATOM 0 HB2 TYR A 39 55.704 5.814 3.917 1.00 0.00 H new ATOM 0 HB3 TYR A 39 56.588 4.531 4.720 1.00 0.00 H new ATOM 0 HD1 TYR A 39 53.379 6.389 4.620 1.00 0.00 H new ATOM 0 HD2 TYR A 39 55.529 3.192 6.517 1.00 0.00 H new ATOM 0 HE1 TYR A 39 51.261 5.537 5.589 1.00 0.00 H new ATOM 0 HE2 TYR A 39 53.415 2.344 7.488 1.00 0.00 H new ATOM 0 HH TYR A 39 51.206 2.620 7.688 1.00 0.00 H new ATOM 575 N THR A 40 58.947 6.190 5.972 1.00 0.00 N ATOM 576 CA THR A 40 60.328 6.476 5.590 1.00 0.00 C ATOM 577 C THR A 40 60.606 5.994 4.174 1.00 0.00 C ATOM 578 O THR A 40 61.142 6.748 3.359 1.00 0.00 O ATOM 579 CB THR A 40 61.300 5.781 6.570 1.00 0.00 C ATOM 580 OG1 THR A 40 61.104 6.306 7.874 1.00 0.00 O ATOM 581 CG2 THR A 40 62.781 5.972 6.159 1.00 0.00 C ATOM 0 H THR A 40 58.846 5.544 6.755 1.00 0.00 H new ATOM 0 HA THR A 40 60.478 7.555 5.629 1.00 0.00 H new ATOM 0 HB THR A 40 61.086 4.713 6.548 1.00 0.00 H new ATOM 0 HG1 THR A 40 60.724 5.612 8.452 1.00 0.00 H new ATOM 0 HG21 THR A 40 63.426 5.466 6.877 1.00 0.00 H new ATOM 0 HG22 THR A 40 62.941 5.549 5.167 1.00 0.00 H new ATOM 0 HG23 THR A 40 63.020 7.035 6.143 1.00 0.00 H new ATOM 589 N ASP A 41 60.233 4.733 3.898 1.00 0.00 N ATOM 590 CA ASP A 41 60.445 4.138 2.580 1.00 0.00 C ATOM 591 C ASP A 41 59.295 4.507 1.651 1.00 0.00 C ATOM 592 O ASP A 41 58.173 4.032 1.818 1.00 0.00 O ATOM 593 CB ASP A 41 60.547 2.604 2.693 1.00 0.00 C ATOM 594 CG ASP A 41 60.790 1.976 1.314 1.00 0.00 C ATOM 595 OD1 ASP A 41 61.253 2.689 0.439 1.00 0.00 O ATOM 596 OD2 ASP A 41 60.493 0.803 1.152 1.00 0.00 O ATOM 0 H ASP A 41 59.785 4.112 4.572 1.00 0.00 H new ATOM 0 HA ASP A 41 61.378 4.525 2.171 1.00 0.00 H new ATOM 0 HB2 ASP A 41 61.360 2.337 3.369 1.00 0.00 H new ATOM 0 HB3 ASP A 41 59.629 2.204 3.124 1.00 0.00 H new ATOM 601 N ARG A 42 59.580 5.364 0.680 1.00 0.00 N ATOM 602 CA ARG A 42 58.560 5.798 -0.265 1.00 0.00 C ATOM 603 C ARG A 42 58.074 4.611 -1.093 1.00 0.00 C ATOM 604 O ARG A 42 56.873 4.429 -1.290 1.00 0.00 O ATOM 605 CB ARG A 42 59.145 6.864 -1.210 1.00 0.00 C ATOM 606 CG ARG A 42 59.412 8.196 -0.455 1.00 0.00 C ATOM 607 CD ARG A 42 60.115 9.221 -1.369 1.00 0.00 C ATOM 608 NE ARG A 42 59.260 9.542 -2.508 1.00 0.00 N ATOM 609 CZ ARG A 42 59.665 10.330 -3.495 1.00 0.00 C ATOM 610 NH1 ARG A 42 60.846 10.879 -3.446 1.00 0.00 N ATOM 611 NH2 ARG A 42 58.884 10.556 -4.513 1.00 0.00 N ATOM 0 H ARG A 42 60.503 5.770 0.526 1.00 0.00 H new ATOM 0 HA ARG A 42 57.723 6.219 0.292 1.00 0.00 H new ATOM 0 HB2 ARG A 42 60.074 6.497 -1.646 1.00 0.00 H new ATOM 0 HB3 ARG A 42 58.454 7.042 -2.034 1.00 0.00 H new ATOM 0 HG2 ARG A 42 58.469 8.610 -0.097 1.00 0.00 H new ATOM 0 HG3 ARG A 42 60.029 8.003 0.422 1.00 0.00 H new ATOM 0 HD2 ARG A 42 60.341 10.127 -0.807 1.00 0.00 H new ATOM 0 HD3 ARG A 42 61.065 8.817 -1.719 1.00 0.00 H new ATOM 0 HE ARG A 42 58.320 9.147 -2.546 1.00 0.00 H new ATOM 0 HH11 ARG A 42 61.458 10.702 -2.649 1.00 0.00 H new ATOM 0 HH12 ARG A 42 61.158 11.485 -4.205 1.00 0.00 H new ATOM 0 HH21 ARG A 42 57.960 10.127 -4.552 1.00 0.00 H new ATOM 0 HH22 ARG A 42 59.197 11.162 -5.271 1.00 0.00 H new ATOM 625 N ASP A 43 59.018 3.806 -1.572 1.00 0.00 N ATOM 626 CA ASP A 43 58.677 2.639 -2.376 1.00 0.00 C ATOM 627 C ASP A 43 57.961 1.597 -1.522 1.00 0.00 C ATOM 628 O ASP A 43 58.402 1.272 -0.420 1.00 0.00 O ATOM 629 CB ASP A 43 59.945 2.032 -2.978 1.00 0.00 C ATOM 630 CG ASP A 43 59.586 1.042 -4.082 1.00 0.00 C ATOM 631 OD1 ASP A 43 59.069 1.472 -5.098 1.00 0.00 O ATOM 632 OD2 ASP A 43 59.828 -0.138 -3.885 1.00 0.00 O ATOM 0 H ASP A 43 60.018 3.939 -1.418 1.00 0.00 H new ATOM 0 HA ASP A 43 58.011 2.952 -3.180 1.00 0.00 H new ATOM 0 HB2 ASP A 43 60.579 2.822 -3.381 1.00 0.00 H new ATOM 0 HB3 ASP A 43 60.519 1.528 -2.201 1.00 0.00 H new ATOM 637 N TYR A 44 56.853 1.087 -2.038 1.00 0.00 N ATOM 638 CA TYR A 44 56.070 0.087 -1.317 1.00 0.00 C ATOM 639 C TYR A 44 56.883 -1.179 -1.087 1.00 0.00 C ATOM 640 O TYR A 44 56.914 -1.709 0.025 1.00 0.00 O ATOM 641 CB TYR A 44 54.813 -0.263 -2.113 1.00 0.00 C ATOM 642 CG TYR A 44 53.967 0.999 -2.314 1.00 0.00 C ATOM 643 CD1 TYR A 44 54.187 1.815 -3.430 1.00 0.00 C ATOM 644 CD2 TYR A 44 52.970 1.335 -1.387 1.00 0.00 C ATOM 645 CE1 TYR A 44 53.413 2.964 -3.620 1.00 0.00 C ATOM 646 CE2 TYR A 44 52.196 2.487 -1.577 1.00 0.00 C ATOM 647 CZ TYR A 44 52.417 3.301 -2.695 1.00 0.00 C ATOM 648 OH TYR A 44 51.654 4.437 -2.884 1.00 0.00 O ATOM 0 H TYR A 44 56.474 1.346 -2.949 1.00 0.00 H new ATOM 0 HA TYR A 44 55.793 0.508 -0.351 1.00 0.00 H new ATOM 0 HB2 TYR A 44 55.088 -0.687 -3.079 1.00 0.00 H new ATOM 0 HB3 TYR A 44 54.235 -1.021 -1.585 1.00 0.00 H new ATOM 0 HD1 TYR A 44 54.955 1.557 -4.144 1.00 0.00 H new ATOM 0 HD2 TYR A 44 52.799 0.705 -0.526 1.00 0.00 H new ATOM 0 HE1 TYR A 44 53.584 3.593 -4.482 1.00 0.00 H new ATOM 0 HE2 TYR A 44 51.430 2.747 -0.862 1.00 0.00 H new ATOM 0 HH TYR A 44 51.009 4.523 -2.152 1.00 0.00 H new ATOM 658 N LYS A 45 57.537 -1.653 -2.148 1.00 0.00 N ATOM 659 CA LYS A 45 58.355 -2.862 -2.067 1.00 0.00 C ATOM 660 C LYS A 45 59.679 -2.546 -1.385 1.00 0.00 C ATOM 661 O LYS A 45 60.318 -1.543 -1.703 1.00 0.00 O ATOM 662 CB LYS A 45 58.619 -3.420 -3.480 1.00 0.00 C ATOM 663 CG LYS A 45 57.308 -3.957 -4.117 1.00 0.00 C ATOM 664 CD LYS A 45 57.559 -4.445 -5.568 1.00 0.00 C ATOM 665 CE LYS A 45 56.269 -5.022 -6.186 1.00 0.00 C ATOM 666 NZ LYS A 45 56.554 -5.459 -7.579 1.00 0.00 N ATOM 0 H LYS A 45 57.516 -1.219 -3.071 1.00 0.00 H new ATOM 0 HA LYS A 45 57.819 -3.611 -1.484 1.00 0.00 H new ATOM 0 HB2 LYS A 45 59.041 -2.638 -4.111 1.00 0.00 H new ATOM 0 HB3 LYS A 45 59.357 -4.220 -3.427 1.00 0.00 H new ATOM 0 HG2 LYS A 45 56.916 -4.777 -3.516 1.00 0.00 H new ATOM 0 HG3 LYS A 45 56.551 -3.172 -4.118 1.00 0.00 H new ATOM 0 HD2 LYS A 45 57.920 -3.616 -6.177 1.00 0.00 H new ATOM 0 HD3 LYS A 45 58.340 -5.206 -5.570 1.00 0.00 H new ATOM 0 HE2 LYS A 45 55.911 -5.864 -5.593 1.00 0.00 H new ATOM 0 HE3 LYS A 45 55.480 -4.270 -6.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 55.689 -5.850 -8.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 56.877 -4.645 -8.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 57.295 -6.189 -7.569 1.00 0.00 H new ATOM 680 N ASN A 46 60.072 -3.408 -0.445 1.00 0.00 N ATOM 681 CA ASN A 46 61.320 -3.223 0.298 1.00 0.00 C ATOM 682 C ASN A 46 62.514 -3.727 -0.507 1.00 0.00 C ATOM 683 O ASN A 46 62.940 -4.874 -0.352 1.00 0.00 O ATOM 684 CB ASN A 46 61.243 -3.975 1.632 1.00 0.00 C ATOM 685 CG ASN A 46 60.128 -3.396 2.497 1.00 0.00 C ATOM 686 OD1 ASN A 46 60.111 -2.197 2.774 1.00 0.00 O ATOM 687 ND2 ASN A 46 59.189 -4.185 2.946 1.00 0.00 N ATOM 0 H ASN A 46 59.545 -4.240 -0.181 1.00 0.00 H new ATOM 0 HA ASN A 46 61.455 -2.157 0.484 1.00 0.00 H new ATOM 0 HB2 ASN A 46 61.061 -5.034 1.451 1.00 0.00 H new ATOM 0 HB3 ASN A 46 62.196 -3.901 2.156 1.00 0.00 H new ATOM 0 HD21 ASN A 46 58.440 -3.808 3.527 1.00 0.00 H new ATOM 0 HD22 ASN A 46 59.204 -5.179 2.716 1.00 0.00 H new ATOM 694 N CYS A 47 63.060 -2.855 -1.356 1.00 0.00 N ATOM 695 CA CYS A 47 64.216 -3.212 -2.175 1.00 0.00 C ATOM 696 C CYS A 47 65.479 -3.211 -1.321 1.00 0.00 C ATOM 697 O CYS A 47 65.948 -2.150 -0.909 1.00 0.00 O ATOM 698 CB CYS A 47 64.378 -2.204 -3.317 1.00 0.00 C ATOM 699 SG CYS A 47 66.073 -2.273 -3.947 1.00 0.00 S ATOM 0 H CYS A 47 62.722 -1.902 -1.493 1.00 0.00 H new ATOM 0 HA CYS A 47 64.058 -4.208 -2.589 1.00 0.00 H new ATOM 0 HB2 CYS A 47 63.672 -2.428 -4.117 1.00 0.00 H new ATOM 0 HB3 CYS A 47 64.151 -1.198 -2.964 1.00 0.00 H new ATOM 0 HG CYS A 47 66.210 -1.419 -4.918 1.00 0.00 H new ATOM 705 N GLU A 48 66.018 -4.407 -1.067 1.00 0.00 N ATOM 706 CA GLU A 48 67.232 -4.550 -0.261 1.00 0.00 C ATOM 707 C GLU A 48 68.461 -4.253 -1.117 1.00 0.00 C ATOM 708 O GLU A 48 68.738 -4.966 -2.084 1.00 0.00 O ATOM 709 CB GLU A 48 67.340 -5.982 0.297 1.00 0.00 C ATOM 710 CG GLU A 48 66.233 -6.269 1.341 1.00 0.00 C ATOM 711 CD GLU A 48 66.302 -7.727 1.802 1.00 0.00 C ATOM 712 OE1 GLU A 48 67.245 -8.403 1.423 1.00 0.00 O ATOM 713 OE2 GLU A 48 65.411 -8.142 2.527 1.00 0.00 O ATOM 0 H GLU A 48 65.633 -5.288 -1.408 1.00 0.00 H new ATOM 0 HA GLU A 48 67.181 -3.844 0.568 1.00 0.00 H new ATOM 0 HB2 GLU A 48 67.265 -6.699 -0.521 1.00 0.00 H new ATOM 0 HB3 GLU A 48 68.319 -6.122 0.755 1.00 0.00 H new ATOM 0 HG2 GLU A 48 66.350 -5.604 2.197 1.00 0.00 H new ATOM 0 HG3 GLU A 48 65.254 -6.063 0.909 1.00 0.00 H new ATOM 720 N SER A 49 69.188 -3.196 -0.750 1.00 0.00 N ATOM 721 CA SER A 49 70.391 -2.793 -1.479 1.00 0.00 C ATOM 722 C SER A 49 71.569 -3.709 -1.139 1.00 0.00 C ATOM 723 O SER A 49 71.889 -4.620 -1.908 1.00 0.00 O ATOM 724 CB SER A 49 70.742 -1.345 -1.131 1.00 0.00 C ATOM 725 OG SER A 49 72.040 -1.047 -1.619 1.00 0.00 O ATOM 0 H SER A 49 68.964 -2.603 0.049 1.00 0.00 H new ATOM 0 HA SER A 49 70.192 -2.875 -2.547 1.00 0.00 H new ATOM 0 HB2 SER A 49 70.011 -0.666 -1.570 1.00 0.00 H new ATOM 0 HB3 SER A 49 70.704 -1.199 -0.051 1.00 0.00 H new ATOM 0 HG SER A 49 72.697 -1.181 -0.904 1.00 0.00 H new ATOM 731 N TYR A 50 72.201 -3.464 0.019 1.00 0.00 N ATOM 732 CA TYR A 50 73.334 -4.270 0.467 1.00 0.00 C ATOM 733 C TYR A 50 72.849 -5.583 1.076 1.00 0.00 C ATOM 734 O TYR A 50 71.836 -5.622 1.776 1.00 0.00 O ATOM 735 CB TYR A 50 74.149 -3.495 1.509 1.00 0.00 C ATOM 736 CG TYR A 50 75.080 -2.489 0.809 1.00 0.00 C ATOM 737 CD1 TYR A 50 74.612 -1.209 0.484 1.00 0.00 C ATOM 738 CD2 TYR A 50 76.396 -2.852 0.501 1.00 0.00 C ATOM 739 CE1 TYR A 50 75.460 -0.292 -0.146 1.00 0.00 C ATOM 740 CE2 TYR A 50 77.246 -1.933 -0.130 1.00 0.00 C ATOM 741 CZ TYR A 50 76.779 -0.653 -0.453 1.00 0.00 C ATOM 742 OH TYR A 50 77.617 0.255 -1.072 1.00 0.00 O ATOM 0 H TYR A 50 71.942 -2.713 0.658 1.00 0.00 H new ATOM 0 HA TYR A 50 73.962 -4.490 -0.396 1.00 0.00 H new ATOM 0 HB2 TYR A 50 73.479 -2.970 2.189 1.00 0.00 H new ATOM 0 HB3 TYR A 50 74.736 -4.188 2.112 1.00 0.00 H new ATOM 0 HD1 TYR A 50 73.596 -0.930 0.720 1.00 0.00 H new ATOM 0 HD2 TYR A 50 76.756 -3.839 0.749 1.00 0.00 H new ATOM 0 HE1 TYR A 50 75.098 0.694 -0.396 1.00 0.00 H new ATOM 0 HE2 TYR A 50 78.262 -2.212 -0.367 1.00 0.00 H new ATOM 0 HH TYR A 50 78.496 -0.154 -1.212 1.00 0.00 H new ATOM 752 N HIS A 51 73.582 -6.650 0.791 1.00 0.00 N ATOM 753 CA HIS A 51 73.235 -7.978 1.297 1.00 0.00 C ATOM 754 C HIS A 51 73.522 -8.098 2.795 1.00 0.00 C ATOM 755 O HIS A 51 73.035 -9.014 3.461 1.00 0.00 O ATOM 756 CB HIS A 51 74.031 -9.046 0.542 1.00 0.00 C ATOM 757 CG HIS A 51 73.535 -10.411 0.937 1.00 0.00 C ATOM 758 ND1 HIS A 51 72.292 -10.889 0.552 1.00 0.00 N ATOM 759 CD2 HIS A 51 74.100 -11.410 1.694 1.00 0.00 C ATOM 760 CE1 HIS A 51 72.150 -12.123 1.070 1.00 0.00 C ATOM 761 NE2 HIS A 51 73.223 -12.487 1.776 1.00 0.00 N ATOM 0 H HIS A 51 74.422 -6.626 0.212 1.00 0.00 H new ATOM 0 HA HIS A 51 72.167 -8.127 1.139 1.00 0.00 H new ATOM 0 HB2 HIS A 51 73.922 -8.904 -0.533 1.00 0.00 H new ATOM 0 HB3 HIS A 51 75.093 -8.953 0.770 1.00 0.00 H new ATOM 0 HD2 HIS A 51 75.076 -11.366 2.155 1.00 0.00 H new ATOM 0 HE1 HIS A 51 71.276 -12.742 0.932 1.00 0.00 H new ATOM 0 HE2 HIS A 51 73.369 -13.367 2.270 1.00 0.00 H new ATOM 769 N LYS A 52 74.331 -7.188 3.318 1.00 0.00 N ATOM 770 CA LYS A 52 74.693 -7.229 4.735 1.00 0.00 C ATOM 771 C LYS A 52 73.478 -7.000 5.620 1.00 0.00 C ATOM 772 O LYS A 52 73.328 -7.680 6.638 1.00 0.00 O ATOM 773 CB LYS A 52 75.769 -6.177 5.048 1.00 0.00 C ATOM 774 CG LYS A 52 77.086 -6.514 4.301 1.00 0.00 C ATOM 775 CD LYS A 52 78.172 -5.449 4.579 1.00 0.00 C ATOM 776 CE LYS A 52 79.476 -5.800 3.835 1.00 0.00 C ATOM 777 NZ LYS A 52 80.487 -4.743 4.100 1.00 0.00 N ATOM 0 H LYS A 52 74.747 -6.419 2.793 1.00 0.00 H new ATOM 0 HA LYS A 52 75.091 -8.222 4.945 1.00 0.00 H new ATOM 0 HB2 LYS A 52 75.418 -5.189 4.752 1.00 0.00 H new ATOM 0 HB3 LYS A 52 75.951 -6.142 6.122 1.00 0.00 H new ATOM 0 HG2 LYS A 52 77.445 -7.494 4.615 1.00 0.00 H new ATOM 0 HG3 LYS A 52 76.895 -6.572 3.229 1.00 0.00 H new ATOM 0 HD2 LYS A 52 77.818 -4.468 4.261 1.00 0.00 H new ATOM 0 HD3 LYS A 52 78.363 -5.387 5.650 1.00 0.00 H new ATOM 0 HE2 LYS A 52 79.849 -6.769 4.167 1.00 0.00 H new ATOM 0 HE3 LYS A 52 79.288 -5.881 2.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 81.370 -4.974 3.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 80.128 -3.827 3.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 80.672 -4.688 5.122 1.00 0.00 H new ATOM 791 N CYS A 53 72.642 -6.028 5.234 1.00 0.00 N ATOM 792 CA CYS A 53 71.437 -5.686 5.996 1.00 0.00 C ATOM 793 C CYS A 53 70.631 -6.937 6.328 1.00 0.00 C ATOM 794 O CYS A 53 70.542 -7.859 5.518 1.00 0.00 O ATOM 795 CB CYS A 53 70.569 -4.713 5.196 1.00 0.00 C ATOM 796 SG CYS A 53 68.861 -5.304 5.172 1.00 0.00 S ATOM 0 H CYS A 53 72.780 -5.464 4.396 1.00 0.00 H new ATOM 0 HA CYS A 53 71.747 -5.214 6.928 1.00 0.00 H new ATOM 0 HB2 CYS A 53 70.614 -3.719 5.641 1.00 0.00 H new ATOM 0 HB3 CYS A 53 70.948 -4.624 4.178 1.00 0.00 H new ATOM 0 HG CYS A 53 68.124 -4.475 4.494 1.00 0.00 H new ATOM 802 N SER A 54 70.070 -6.959 7.536 1.00 0.00 N ATOM 803 CA SER A 54 69.285 -8.105 8.002 1.00 0.00 C ATOM 804 C SER A 54 68.401 -7.709 9.177 1.00 0.00 C ATOM 805 O SER A 54 67.972 -8.572 9.942 1.00 0.00 O ATOM 806 CB SER A 54 70.219 -9.240 8.445 1.00 0.00 C ATOM 807 OG SER A 54 69.446 -10.399 8.726 1.00 0.00 O ATOM 0 H SER A 54 70.143 -6.198 8.211 1.00 0.00 H new ATOM 0 HA SER A 54 68.658 -8.442 7.176 1.00 0.00 H new ATOM 0 HB2 SER A 54 70.947 -9.455 7.662 1.00 0.00 H new ATOM 0 HB3 SER A 54 70.781 -8.940 9.329 1.00 0.00 H new ATOM 0 HG SER A 54 68.651 -10.145 9.241 1.00 0.00 H new ATOM 813 N ASP A 55 68.152 -6.402 9.310 1.00 0.00 N ATOM 814 CA ASP A 55 67.321 -5.863 10.402 1.00 0.00 C ATOM 815 C ASP A 55 66.488 -4.685 9.914 1.00 0.00 C ATOM 816 O ASP A 55 66.045 -3.863 10.713 1.00 0.00 O ATOM 817 CB ASP A 55 68.199 -5.411 11.575 1.00 0.00 C ATOM 818 CG ASP A 55 69.043 -6.569 12.102 1.00 0.00 C ATOM 819 OD1 ASP A 55 68.530 -7.334 12.900 1.00 0.00 O ATOM 820 OD2 ASP A 55 70.203 -6.653 11.727 1.00 0.00 O ATOM 0 H ASP A 55 68.514 -5.692 8.674 1.00 0.00 H new ATOM 0 HA ASP A 55 66.654 -6.658 10.737 1.00 0.00 H new ATOM 0 HB2 ASP A 55 68.850 -4.598 11.255 1.00 0.00 H new ATOM 0 HB3 ASP A 55 67.571 -5.020 12.375 1.00 0.00 H new ATOM 825 N LEU A 56 66.280 -4.606 8.591 1.00 0.00 N ATOM 826 CA LEU A 56 65.476 -3.545 7.957 1.00 0.00 C ATOM 827 C LEU A 56 66.003 -2.163 8.314 1.00 0.00 C ATOM 828 O LEU A 56 65.335 -1.152 8.088 1.00 0.00 O ATOM 829 CB LEU A 56 64.010 -3.657 8.392 1.00 0.00 C ATOM 830 CG LEU A 56 63.484 -5.127 8.218 1.00 0.00 C ATOM 831 CD1 LEU A 56 63.014 -5.729 9.560 1.00 0.00 C ATOM 832 CD2 LEU A 56 62.306 -5.188 7.225 1.00 0.00 C ATOM 0 H LEU A 56 66.665 -5.277 7.927 1.00 0.00 H new ATOM 0 HA LEU A 56 65.549 -3.677 6.877 1.00 0.00 H new ATOM 0 HB2 LEU A 56 63.911 -3.352 9.434 1.00 0.00 H new ATOM 0 HB3 LEU A 56 63.398 -2.975 7.801 1.00 0.00 H new ATOM 0 HG LEU A 56 64.323 -5.706 7.834 1.00 0.00 H new ATOM 0 HD11 LEU A 56 62.658 -6.746 9.398 1.00 0.00 H new ATOM 0 HD12 LEU A 56 63.847 -5.744 10.263 1.00 0.00 H new ATOM 0 HD13 LEU A 56 62.206 -5.122 9.968 1.00 0.00 H new ATOM 0 HD21 LEU A 56 61.966 -6.219 7.127 1.00 0.00 H new ATOM 0 HD22 LEU A 56 61.488 -4.569 7.593 1.00 0.00 H new ATOM 0 HD23 LEU A 56 62.631 -4.819 6.252 1.00 0.00 H new ATOM 844 N CYS A 57 67.204 -2.160 8.862 1.00 0.00 N ATOM 845 CA CYS A 57 67.892 -0.959 9.286 1.00 0.00 C ATOM 846 C CYS A 57 68.725 -0.443 8.135 1.00 0.00 C ATOM 847 O CYS A 57 69.596 -1.133 7.610 1.00 0.00 O ATOM 848 CB CYS A 57 68.736 -1.314 10.503 1.00 0.00 C ATOM 849 SG CYS A 57 69.932 0.000 10.904 1.00 0.00 S ATOM 0 H CYS A 57 67.739 -3.013 9.028 1.00 0.00 H new ATOM 0 HA CYS A 57 67.199 -0.166 9.567 1.00 0.00 H new ATOM 0 HB2 CYS A 57 68.084 -1.486 11.360 1.00 0.00 H new ATOM 0 HB3 CYS A 57 69.269 -2.246 10.316 1.00 0.00 H new ATOM 0 HG CYS A 57 71.091 -0.531 11.158 1.00 0.00 H new ATOM 854 N GLN A 58 68.394 0.750 7.709 1.00 0.00 N ATOM 855 CA GLN A 58 69.052 1.357 6.571 1.00 0.00 C ATOM 856 C GLN A 58 70.519 1.708 6.840 1.00 0.00 C ATOM 857 O GLN A 58 71.358 1.599 5.954 1.00 0.00 O ATOM 858 CB GLN A 58 68.284 2.629 6.159 1.00 0.00 C ATOM 859 CG GLN A 58 68.405 3.751 7.233 1.00 0.00 C ATOM 860 CD GLN A 58 67.271 4.756 7.071 1.00 0.00 C ATOM 861 OE1 GLN A 58 66.099 4.413 7.228 1.00 0.00 O ATOM 862 NE2 GLN A 58 67.555 5.994 6.768 1.00 0.00 N ATOM 0 H GLN A 58 67.668 1.327 8.134 1.00 0.00 H new ATOM 0 HA GLN A 58 69.046 0.622 5.767 1.00 0.00 H new ATOM 0 HB2 GLN A 58 68.669 2.994 5.207 1.00 0.00 H new ATOM 0 HB3 GLN A 58 67.233 2.385 6.005 1.00 0.00 H new ATOM 0 HG2 GLN A 58 68.374 3.314 8.231 1.00 0.00 H new ATOM 0 HG3 GLN A 58 69.366 4.256 7.135 1.00 0.00 H new ATOM 0 HE21 GLN A 58 68.526 6.277 6.638 1.00 0.00 H new ATOM 0 HE22 GLN A 58 66.806 6.678 6.661 1.00 0.00 H new ATOM 871 N TYR A 59 70.805 2.161 8.053 1.00 0.00 N ATOM 872 CA TYR A 59 72.158 2.574 8.423 1.00 0.00 C ATOM 873 C TYR A 59 73.069 1.390 8.666 1.00 0.00 C ATOM 874 O TYR A 59 74.290 1.512 8.551 1.00 0.00 O ATOM 875 CB TYR A 59 72.104 3.447 9.665 1.00 0.00 C ATOM 876 CG TYR A 59 72.573 4.860 9.304 1.00 0.00 C ATOM 877 CD1 TYR A 59 73.942 5.157 9.289 1.00 0.00 C ATOM 878 CD2 TYR A 59 71.640 5.849 8.978 1.00 0.00 C ATOM 879 CE1 TYR A 59 74.373 6.448 8.949 1.00 0.00 C ATOM 880 CE2 TYR A 59 72.071 7.138 8.639 1.00 0.00 C ATOM 881 CZ TYR A 59 73.438 7.438 8.626 1.00 0.00 C ATOM 882 OH TYR A 59 73.867 8.706 8.294 1.00 0.00 O ATOM 0 H TYR A 59 70.118 2.253 8.802 1.00 0.00 H new ATOM 0 HA TYR A 59 72.572 3.139 7.587 1.00 0.00 H new ATOM 0 HB2 TYR A 59 71.088 3.477 10.060 1.00 0.00 H new ATOM 0 HB3 TYR A 59 72.738 3.029 10.447 1.00 0.00 H new ATOM 0 HD1 TYR A 59 74.664 4.394 9.539 1.00 0.00 H new ATOM 0 HD2 TYR A 59 70.585 5.619 8.988 1.00 0.00 H new ATOM 0 HE1 TYR A 59 75.428 6.678 8.936 1.00 0.00 H new ATOM 0 HE2 TYR A 59 71.348 7.900 8.388 1.00 0.00 H new ATOM 0 HH TYR A 59 73.092 9.272 8.096 1.00 0.00 H new ATOM 892 N CYS A 60 72.487 0.250 9.004 1.00 0.00 N ATOM 893 CA CYS A 60 73.279 -0.938 9.256 1.00 0.00 C ATOM 894 C CYS A 60 74.042 -1.352 8.000 1.00 0.00 C ATOM 895 O CYS A 60 75.048 -2.052 8.078 1.00 0.00 O ATOM 896 CB CYS A 60 72.383 -2.086 9.685 1.00 0.00 C ATOM 897 SG CYS A 60 72.295 -2.222 11.513 1.00 0.00 S ATOM 0 H CYS A 60 71.480 0.125 9.109 1.00 0.00 H new ATOM 0 HA CYS A 60 73.988 -0.706 10.051 1.00 0.00 H new ATOM 0 HB2 CYS A 60 71.381 -1.938 9.281 1.00 0.00 H new ATOM 0 HB3 CYS A 60 72.760 -3.019 9.267 1.00 0.00 H new ATOM 0 HG CYS A 60 72.622 -1.084 12.049 1.00 0.00 H new ATOM 902 N ARG A 61 73.529 -0.929 6.846 1.00 0.00 N ATOM 903 CA ARG A 61 74.126 -1.266 5.554 1.00 0.00 C ATOM 904 C ARG A 61 75.586 -0.836 5.491 1.00 0.00 C ATOM 905 O ARG A 61 76.418 -1.556 4.934 1.00 0.00 O ATOM 906 CB ARG A 61 73.358 -0.544 4.434 1.00 0.00 C ATOM 907 CG ARG A 61 71.903 -1.070 4.345 1.00 0.00 C ATOM 908 CD ARG A 61 71.097 -0.304 3.279 1.00 0.00 C ATOM 909 NE ARG A 61 69.702 -0.773 3.269 1.00 0.00 N ATOM 910 CZ ARG A 61 69.333 -1.928 2.722 1.00 0.00 C ATOM 911 NH1 ARG A 61 70.222 -2.691 2.152 1.00 0.00 N ATOM 912 NH2 ARG A 61 68.079 -2.294 2.752 1.00 0.00 N ATOM 0 H ARG A 61 72.694 -0.347 6.779 1.00 0.00 H new ATOM 0 HA ARG A 61 74.070 -2.347 5.429 1.00 0.00 H new ATOM 0 HB2 ARG A 61 73.352 0.529 4.623 1.00 0.00 H new ATOM 0 HB3 ARG A 61 73.865 -0.697 3.481 1.00 0.00 H new ATOM 0 HG2 ARG A 61 71.912 -2.133 4.103 1.00 0.00 H new ATOM 0 HG3 ARG A 61 71.417 -0.968 5.315 1.00 0.00 H new ATOM 0 HD2 ARG A 61 71.128 0.766 3.487 1.00 0.00 H new ATOM 0 HD3 ARG A 61 71.546 -0.451 2.297 1.00 0.00 H new ATOM 0 HE ARG A 61 68.987 -0.187 3.700 1.00 0.00 H new ATOM 0 HH11 ARG A 61 71.200 -2.403 2.125 1.00 0.00 H new ATOM 0 HH12 ARG A 61 69.940 -3.577 1.732 1.00 0.00 H new ATOM 0 HH21 ARG A 61 67.383 -1.694 3.195 1.00 0.00 H new ATOM 0 HH22 ARG A 61 67.796 -3.180 2.333 1.00 0.00 H new ATOM 926 N TYR A 62 75.873 0.338 6.055 1.00 0.00 N ATOM 927 CA TYR A 62 77.229 0.892 6.069 1.00 0.00 C ATOM 928 C TYR A 62 77.985 0.461 7.310 1.00 0.00 C ATOM 929 O TYR A 62 79.099 -0.057 7.208 1.00 0.00 O ATOM 930 CB TYR A 62 77.161 2.418 6.046 1.00 0.00 C ATOM 931 CG TYR A 62 76.527 2.880 4.729 1.00 0.00 C ATOM 932 CD1 TYR A 62 75.136 2.993 4.630 1.00 0.00 C ATOM 933 CD2 TYR A 62 77.337 3.201 3.630 1.00 0.00 C ATOM 934 CE1 TYR A 62 74.552 3.428 3.433 1.00 0.00 C ATOM 935 CE2 TYR A 62 76.752 3.633 2.435 1.00 0.00 C ATOM 936 CZ TYR A 62 75.362 3.748 2.336 1.00 0.00 C ATOM 937 OH TYR A 62 74.786 4.173 1.157 1.00 0.00 O ATOM 0 H TYR A 62 75.178 0.929 6.512 1.00 0.00 H new ATOM 0 HA TYR A 62 77.752 0.519 5.188 1.00 0.00 H new ATOM 0 HB2 TYR A 62 76.575 2.780 6.891 1.00 0.00 H new ATOM 0 HB3 TYR A 62 78.161 2.839 6.148 1.00 0.00 H new ATOM 0 HD1 TYR A 62 74.512 2.745 5.476 1.00 0.00 H new ATOM 0 HD2 TYR A 62 78.411 3.115 3.706 1.00 0.00 H new ATOM 0 HE1 TYR A 62 73.478 3.516 3.356 1.00 0.00 H new ATOM 0 HE2 TYR A 62 77.375 3.878 1.588 1.00 0.00 H new ATOM 0 HH TYR A 62 75.487 4.355 0.497 1.00 0.00 H new ATOM 947 N GLN A 63 77.370 0.716 8.476 1.00 0.00 N ATOM 948 CA GLN A 63 77.967 0.394 9.781 1.00 0.00 C ATOM 949 C GLN A 63 76.930 -0.203 10.704 1.00 0.00 C ATOM 950 O GLN A 63 75.981 0.469 11.078 1.00 0.00 O ATOM 951 CB GLN A 63 78.530 1.664 10.458 1.00 0.00 C ATOM 952 CG GLN A 63 79.762 2.210 9.709 1.00 0.00 C ATOM 953 CD GLN A 63 80.274 3.476 10.384 1.00 0.00 C ATOM 954 OE1 GLN A 63 79.775 3.879 11.437 1.00 0.00 O ATOM 955 NE2 GLN A 63 81.245 4.142 9.825 1.00 0.00 N ATOM 0 H GLN A 63 76.449 1.149 8.540 1.00 0.00 H new ATOM 0 HA GLN A 63 78.771 -0.320 9.602 1.00 0.00 H new ATOM 0 HB2 GLN A 63 77.756 2.431 10.494 1.00 0.00 H new ATOM 0 HB3 GLN A 63 78.802 1.437 11.489 1.00 0.00 H new ATOM 0 HG2 GLN A 63 80.549 1.456 9.691 1.00 0.00 H new ATOM 0 HG3 GLN A 63 79.501 2.423 8.672 1.00 0.00 H new ATOM 0 HE21 GLN A 63 81.657 3.808 8.954 1.00 0.00 H new ATOM 0 HE22 GLN A 63 81.593 4.997 10.259 1.00 0.00 H new ATOM 964 N LYS A 64 77.141 -1.468 11.051 1.00 0.00 N ATOM 965 CA LYS A 64 76.238 -2.208 11.935 1.00 0.00 C ATOM 966 C LYS A 64 76.015 -1.462 13.240 1.00 0.00 C ATOM 967 O LYS A 64 76.950 -0.871 13.792 1.00 0.00 O ATOM 968 CB LYS A 64 76.826 -3.593 12.252 1.00 0.00 C ATOM 969 CG LYS A 64 77.009 -4.486 10.986 1.00 0.00 C ATOM 970 CD LYS A 64 75.663 -4.909 10.321 1.00 0.00 C ATOM 971 CE LYS A 64 75.884 -6.138 9.431 1.00 0.00 C ATOM 972 NZ LYS A 64 74.712 -6.302 8.530 1.00 0.00 N ATOM 0 H LYS A 64 77.942 -2.012 10.729 1.00 0.00 H new ATOM 0 HA LYS A 64 75.284 -2.315 11.419 1.00 0.00 H new ATOM 0 HB2 LYS A 64 77.791 -3.467 12.743 1.00 0.00 H new ATOM 0 HB3 LYS A 64 76.173 -4.105 12.959 1.00 0.00 H new ATOM 0 HG2 LYS A 64 77.612 -3.947 10.255 1.00 0.00 H new ATOM 0 HG3 LYS A 64 77.566 -5.382 11.261 1.00 0.00 H new ATOM 0 HD2 LYS A 64 74.923 -5.134 11.089 1.00 0.00 H new ATOM 0 HD3 LYS A 64 75.266 -4.086 9.727 1.00 0.00 H new ATOM 0 HE2 LYS A 64 76.795 -6.019 8.845 1.00 0.00 H new ATOM 0 HE3 LYS A 64 76.014 -7.029 10.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 74.823 -7.172 7.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 73.843 -6.364 9.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 74.649 -5.485 7.890 1.00 0.00 H new ATOM 986 N ASP A 65 74.751 -1.506 13.700 1.00 0.00 N ATOM 987 CA ASP A 65 74.316 -0.851 14.940 1.00 0.00 C ATOM 988 C ASP A 65 73.526 -1.840 15.820 1.00 0.00 C ATOM 989 O ASP A 65 72.556 -1.487 16.487 1.00 0.00 O ATOM 990 CB ASP A 65 73.454 0.397 14.616 1.00 0.00 C ATOM 991 CG ASP A 65 73.671 0.904 13.171 1.00 0.00 C ATOM 992 OD1 ASP A 65 74.685 1.555 12.986 1.00 0.00 O ATOM 993 OD2 ASP A 65 72.857 0.648 12.278 1.00 0.00 O ATOM 0 H ASP A 65 74.001 -2.001 13.217 1.00 0.00 H new ATOM 0 HA ASP A 65 75.199 -0.527 15.492 1.00 0.00 H new ATOM 0 HB2 ASP A 65 72.401 0.155 14.759 1.00 0.00 H new ATOM 0 HB3 ASP A 65 73.696 1.195 15.318 1.00 0.00 H new ATOM 998 N LEU A 66 73.975 -3.094 15.852 1.00 0.00 N ATOM 999 CA LEU A 66 73.310 -4.127 16.670 1.00 0.00 C ATOM 1000 C LEU A 66 73.611 -3.907 18.163 1.00 0.00 C ATOM 1001 O LEU A 66 73.190 -4.688 19.019 1.00 0.00 O ATOM 1002 CB LEU A 66 73.809 -5.527 16.243 1.00 0.00 C ATOM 1003 CG LEU A 66 73.214 -5.944 14.865 1.00 0.00 C ATOM 1004 CD1 LEU A 66 74.182 -6.880 14.125 1.00 0.00 C ATOM 1005 CD2 LEU A 66 71.877 -6.706 15.032 1.00 0.00 C ATOM 0 H LEU A 66 74.787 -3.424 15.330 1.00 0.00 H new ATOM 0 HA LEU A 66 72.233 -4.058 16.515 1.00 0.00 H new ATOM 0 HB2 LEU A 66 74.898 -5.526 16.186 1.00 0.00 H new ATOM 0 HB3 LEU A 66 73.530 -6.261 16.999 1.00 0.00 H new ATOM 0 HG LEU A 66 73.051 -5.025 14.302 1.00 0.00 H new ATOM 0 HD11 LEU A 66 73.752 -7.162 13.164 1.00 0.00 H new ATOM 0 HD12 LEU A 66 75.130 -6.368 13.962 1.00 0.00 H new ATOM 0 HD13 LEU A 66 74.352 -7.775 14.724 1.00 0.00 H new ATOM 0 HD21 LEU A 66 71.490 -6.982 14.051 1.00 0.00 H new ATOM 0 HD22 LEU A 66 72.043 -7.607 15.623 1.00 0.00 H new ATOM 0 HD23 LEU A 66 71.155 -6.067 15.540 1.00 0.00 H new ATOM 1017 N ALA A 67 74.334 -2.832 18.472 1.00 0.00 N ATOM 1018 CA ALA A 67 74.676 -2.514 19.842 1.00 0.00 C ATOM 1019 C ALA A 67 73.439 -2.082 20.618 1.00 0.00 C ATOM 1020 O ALA A 67 73.208 -2.545 21.736 1.00 0.00 O ATOM 1021 CB ALA A 67 75.711 -1.388 19.857 1.00 0.00 C ATOM 0 H ALA A 67 74.692 -2.169 17.784 1.00 0.00 H new ATOM 0 HA ALA A 67 75.090 -3.404 20.317 1.00 0.00 H new ATOM 0 HB1 ALA A 67 75.971 -1.146 20.888 1.00 0.00 H new ATOM 0 HB2 ALA A 67 76.606 -1.709 19.323 1.00 0.00 H new ATOM 0 HB3 ALA A 67 75.295 -0.505 19.371 1.00 0.00 H new ATOM 1027 N ILE A 68 72.656 -1.170 20.034 1.00 0.00 N ATOM 1028 CA ILE A 68 71.468 -0.670 20.712 1.00 0.00 C ATOM 1029 C ILE A 68 70.450 -1.790 20.954 1.00 0.00 C ATOM 1030 O ILE A 68 69.870 -1.867 22.039 1.00 0.00 O ATOM 1031 CB ILE A 68 70.832 0.519 19.943 1.00 0.00 C ATOM 1032 CG1 ILE A 68 70.851 0.271 18.413 1.00 0.00 C ATOM 1033 CG2 ILE A 68 71.613 1.813 20.246 1.00 0.00 C ATOM 1034 CD1 ILE A 68 69.702 1.030 17.718 1.00 0.00 C ATOM 0 H ILE A 68 72.823 -0.772 19.110 1.00 0.00 H new ATOM 0 HA ILE A 68 71.781 -0.296 21.687 1.00 0.00 H new ATOM 0 HB ILE A 68 69.797 0.615 20.272 1.00 0.00 H new ATOM 0 HG12 ILE A 68 71.807 0.593 18.000 1.00 0.00 H new ATOM 0 HG13 ILE A 68 70.761 -0.797 18.212 1.00 0.00 H new ATOM 0 HG21 ILE A 68 71.163 2.645 19.704 1.00 0.00 H new ATOM 0 HG22 ILE A 68 71.579 2.016 21.316 1.00 0.00 H new ATOM 0 HG23 ILE A 68 72.650 1.694 19.932 1.00 0.00 H new ATOM 0 HD11 ILE A 68 69.737 0.840 16.645 1.00 0.00 H new ATOM 0 HD12 ILE A 68 68.747 0.688 18.116 1.00 0.00 H new ATOM 0 HD13 ILE A 68 69.809 2.099 17.901 1.00 0.00 H new ATOM 1046 N HIS A 69 70.243 -2.656 19.961 1.00 0.00 N ATOM 1047 CA HIS A 69 69.314 -3.767 20.097 1.00 0.00 C ATOM 1048 C HIS A 69 69.725 -4.659 21.264 1.00 0.00 C ATOM 1049 O HIS A 69 68.885 -5.060 22.070 1.00 0.00 O ATOM 1050 CB HIS A 69 69.315 -4.601 18.814 1.00 0.00 C ATOM 1051 CG HIS A 69 68.250 -5.656 18.905 1.00 0.00 C ATOM 1052 ND1 HIS A 69 68.538 -6.972 19.231 1.00 0.00 N ATOM 1053 CD2 HIS A 69 66.889 -5.602 18.724 1.00 0.00 C ATOM 1054 CE1 HIS A 69 67.375 -7.651 19.236 1.00 0.00 C ATOM 1055 NE2 HIS A 69 66.340 -6.863 18.934 1.00 0.00 N ATOM 0 H HIS A 69 70.709 -2.605 19.055 1.00 0.00 H new ATOM 0 HA HIS A 69 68.317 -3.366 20.280 1.00 0.00 H new ATOM 0 HB2 HIS A 69 69.135 -3.961 17.951 1.00 0.00 H new ATOM 0 HB3 HIS A 69 70.291 -5.065 18.669 1.00 0.00 H new ATOM 0 HD2 HIS A 69 66.331 -4.716 18.459 1.00 0.00 H new ATOM 0 HE1 HIS A 69 67.290 -8.705 19.457 1.00 0.00 H new ATOM 0 HE2 HIS A 69 65.357 -7.129 18.871 1.00 0.00 H new ATOM 1063 N HIS A 70 71.024 -4.961 21.340 1.00 0.00 N ATOM 1064 CA HIS A 70 71.558 -5.805 22.409 1.00 0.00 C ATOM 1065 C HIS A 70 73.068 -5.625 22.519 1.00 0.00 C ATOM 1066 O HIS A 70 73.789 -5.739 21.526 1.00 0.00 O ATOM 1067 CB HIS A 70 71.241 -7.276 22.134 1.00 0.00 C ATOM 1068 CG HIS A 70 71.832 -8.126 23.222 1.00 0.00 C ATOM 1069 ND1 HIS A 70 71.265 -8.211 24.483 1.00 0.00 N ATOM 1070 CD2 HIS A 70 72.942 -8.935 23.256 1.00 0.00 C ATOM 1071 CE1 HIS A 70 72.029 -9.045 25.215 1.00 0.00 C ATOM 1072 NE2 HIS A 70 73.063 -9.512 24.512 1.00 0.00 N ATOM 0 H HIS A 70 71.724 -4.633 20.674 1.00 0.00 H new ATOM 0 HA HIS A 70 71.090 -5.507 23.347 1.00 0.00 H new ATOM 0 HB2 HIS A 70 70.162 -7.424 22.087 1.00 0.00 H new ATOM 0 HB3 HIS A 70 71.646 -7.572 21.166 1.00 0.00 H new ATOM 0 HD2 HIS A 70 73.618 -9.097 22.430 1.00 0.00 H new ATOM 0 HE1 HIS A 70 71.829 -9.304 26.244 1.00 0.00 H new ATOM 0 HE2 HIS A 70 73.787 -10.156 24.830 1.00 0.00 H new