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= -0.426 K(o=2.5,f=-7.1!) USER MOD Set 1.2: A 57 CYS SG : rot -133:sc= 1.84 USER MOD Set 1.3: A 60 CYS SG : rot -140:sc= 1.03 USER MOD Set 2.1: A 20 CYS SG : rot -170:sc= 0.844 USER MOD Set 2.2: A 23 CYS SG : rot -131:sc= 0.449 USER MOD Set 2.3: A 26 ASN : amide:sc= -4.05! K(o=-2.9!,f=-0.19) USER MOD Set 2.4: A 33 THR OG1 : rot -170:sc= -0.119 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.774 K(o=-0.77,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= -0.0207 K(o=-0.021,f=-1.9!) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : 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= -2.26! C(o=-2.3!,f=-4.7!) USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 CYS SG : rot -161:sc= 0.495 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : A 59 TYR OH : rot 113:sc= 1.23 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 64 LYS NZ :NH3+ -142:sc= 0.148 (180deg=-0.71) USER MOD Single : A 69 HIS : no HD1:sc= -0.249 K(o=-0.25,f=-1.3) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 221 N GLY A 16 66.343 1.642 23.062 1.00 0.00 N ATOM 222 CA GLY A 16 67.361 1.474 22.031 1.00 0.00 C ATOM 223 C GLY A 16 66.978 0.378 21.041 1.00 0.00 C ATOM 224 O GLY A 16 67.838 -0.183 20.372 1.00 0.00 O ATOM 0 HA2 GLY A 16 67.500 2.415 21.498 1.00 0.00 H new ATOM 0 HA3 GLY A 16 68.315 1.228 22.497 1.00 0.00 H new ATOM 228 N LYS A 17 65.686 0.076 20.957 1.00 0.00 N ATOM 229 CA LYS A 17 65.194 -0.943 20.057 1.00 0.00 C ATOM 230 C LYS A 17 65.562 -0.583 18.640 1.00 0.00 C ATOM 231 O LYS A 17 65.529 0.574 18.241 1.00 0.00 O ATOM 232 CB LYS A 17 63.678 -1.065 20.165 1.00 0.00 C ATOM 233 CG LYS A 17 63.278 -1.571 21.572 1.00 0.00 C ATOM 234 CD LYS A 17 61.746 -1.644 21.693 1.00 0.00 C ATOM 235 CE LYS A 17 61.330 -2.111 23.101 1.00 0.00 C ATOM 236 NZ LYS A 17 59.841 -2.154 23.184 1.00 0.00 N ATOM 0 H LYS A 17 64.960 0.532 21.510 1.00 0.00 H new ATOM 0 HA LYS A 17 65.647 -1.896 20.329 1.00 0.00 H new ATOM 0 HB2 LYS A 17 63.214 -0.097 19.974 1.00 0.00 H new ATOM 0 HB3 LYS A 17 63.307 -1.752 19.405 1.00 0.00 H new ATOM 0 HG2 LYS A 17 63.712 -2.555 21.750 1.00 0.00 H new ATOM 0 HG3 LYS A 17 63.679 -0.903 22.335 1.00 0.00 H new ATOM 0 HD2 LYS A 17 61.313 -0.665 21.487 1.00 0.00 H new ATOM 0 HD3 LYS A 17 61.350 -2.331 20.945 1.00 0.00 H new ATOM 0 HE2 LYS A 17 61.746 -3.097 23.308 1.00 0.00 H new ATOM 0 HE3 LYS A 17 61.729 -1.432 23.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 59.555 -2.469 24.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 59.456 -1.205 23.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 59.473 -2.818 22.473 1.00 0.00 H new ATOM 250 N HIS A 18 65.979 -1.587 17.925 1.00 0.00 N ATOM 251 CA HIS A 18 66.449 -1.396 16.558 1.00 0.00 C ATOM 252 C HIS A 18 65.379 -0.788 15.641 1.00 0.00 C ATOM 253 O HIS A 18 65.647 0.227 14.995 1.00 0.00 O ATOM 254 CB HIS A 18 66.937 -2.739 15.971 1.00 0.00 C ATOM 255 CG HIS A 18 68.118 -2.542 15.043 1.00 0.00 C ATOM 256 ND1 HIS A 18 69.120 -3.486 14.940 1.00 0.00 N ATOM 257 CD2 HIS A 18 68.493 -1.508 14.234 1.00 0.00 C ATOM 258 CE1 HIS A 18 70.039 -2.999 14.093 1.00 0.00 C ATOM 259 NE2 HIS A 18 69.707 -1.780 13.629 1.00 0.00 N ATOM 0 H HIS A 18 66.008 -2.552 18.254 1.00 0.00 H new ATOM 0 HA HIS A 18 67.275 -0.687 16.605 1.00 0.00 H new ATOM 0 HB2 HIS A 18 67.218 -3.411 16.782 1.00 0.00 H new ATOM 0 HB3 HIS A 18 66.122 -3.218 15.428 1.00 0.00 H new ATOM 0 HD2 HIS A 18 67.921 -0.604 14.087 1.00 0.00 H new ATOM 0 HE1 HIS A 18 70.941 -3.524 13.815 1.00 0.00 H new ATOM 0 HE2 HIS A 18 70.230 -1.192 12.980 1.00 0.00 H new ATOM 266 N ILE A 19 64.184 -1.406 15.592 1.00 0.00 N ATOM 267 CA ILE A 19 63.088 -0.933 14.742 1.00 0.00 C ATOM 268 C ILE A 19 62.122 -0.127 15.589 1.00 0.00 C ATOM 269 O ILE A 19 61.538 -0.644 16.543 1.00 0.00 O ATOM 270 CB ILE A 19 62.328 -2.143 14.097 1.00 0.00 C ATOM 271 CG1 ILE A 19 63.318 -3.143 13.435 1.00 0.00 C ATOM 272 CG2 ILE A 19 61.332 -1.679 13.005 1.00 0.00 C ATOM 273 CD1 ILE A 19 63.506 -4.414 14.291 1.00 0.00 C ATOM 0 H ILE A 19 63.958 -2.238 16.136 1.00 0.00 H new ATOM 0 HA ILE A 19 63.498 -0.315 13.944 1.00 0.00 H new ATOM 0 HB ILE A 19 61.787 -2.627 14.910 1.00 0.00 H new ATOM 0 HG12 ILE A 19 62.948 -3.421 12.448 1.00 0.00 H new ATOM 0 HG13 ILE A 19 64.283 -2.657 13.289 1.00 0.00 H new ATOM 0 HG21 ILE A 19 60.825 -2.547 12.582 1.00 0.00 H new ATOM 0 HG22 ILE A 19 60.595 -1.008 13.446 1.00 0.00 H new ATOM 0 HG23 ILE A 19 61.874 -1.156 12.217 1.00 0.00 H new ATOM 0 HD11 ILE A 19 64.205 -5.087 13.794 1.00 0.00 H new ATOM 0 HD12 ILE A 19 63.900 -4.139 15.269 1.00 0.00 H new ATOM 0 HD13 ILE A 19 62.546 -4.915 14.415 1.00 0.00 H new ATOM 285 N CYS A 20 61.938 1.129 15.215 1.00 0.00 N ATOM 286 CA CYS A 20 61.009 1.984 15.932 1.00 0.00 C ATOM 287 C CYS A 20 59.589 1.498 15.635 1.00 0.00 C ATOM 288 O CYS A 20 59.311 1.000 14.552 1.00 0.00 O ATOM 289 CB CYS A 20 61.216 3.443 15.520 1.00 0.00 C ATOM 290 SG CYS A 20 59.817 4.441 16.087 1.00 0.00 S ATOM 0 H CYS A 20 62.413 1.574 14.430 1.00 0.00 H new ATOM 0 HA CYS A 20 61.181 1.931 17.007 1.00 0.00 H new ATOM 0 HB2 CYS A 20 62.144 3.824 15.948 1.00 0.00 H new ATOM 0 HB3 CYS A 20 61.311 3.515 14.437 1.00 0.00 H new ATOM 0 HG CYS A 20 59.889 5.627 15.561 1.00 0.00 H new ATOM 295 N ALA A 21 58.710 1.582 16.613 1.00 0.00 N ATOM 296 CA ALA A 21 57.345 1.085 16.453 1.00 0.00 C ATOM 297 C ALA A 21 56.509 1.959 15.528 1.00 0.00 C ATOM 298 O ALA A 21 55.370 1.596 15.219 1.00 0.00 O ATOM 299 CB ALA A 21 56.674 1.043 17.820 1.00 0.00 C ATOM 0 H ALA A 21 58.909 1.988 17.528 1.00 0.00 H new ATOM 0 HA ALA A 21 57.407 0.093 16.006 1.00 0.00 H new ATOM 0 HB1 ALA A 21 55.654 0.673 17.713 1.00 0.00 H new ATOM 0 HB2 ALA A 21 57.233 0.380 18.480 1.00 0.00 H new ATOM 0 HB3 ALA A 21 56.654 2.046 18.246 1.00 0.00 H new ATOM 305 N ILE A 22 57.069 3.120 15.144 1.00 0.00 N ATOM 306 CA ILE A 22 56.374 4.110 14.295 1.00 0.00 C ATOM 307 C ILE A 22 57.123 4.330 12.968 1.00 0.00 C ATOM 308 O ILE A 22 56.669 3.906 11.906 1.00 0.00 O ATOM 309 CB ILE A 22 56.250 5.467 15.076 1.00 0.00 C ATOM 310 CG1 ILE A 22 55.286 5.314 16.288 1.00 0.00 C ATOM 311 CG2 ILE A 22 55.681 6.598 14.167 1.00 0.00 C ATOM 312 CD1 ILE A 22 55.657 6.293 17.422 1.00 0.00 C ATOM 0 H ILE A 22 58.013 3.400 15.411 1.00 0.00 H new ATOM 0 HA ILE A 22 55.381 3.729 14.058 1.00 0.00 H new ATOM 0 HB ILE A 22 57.254 5.729 15.410 1.00 0.00 H new ATOM 0 HG12 ILE A 22 54.261 5.497 15.966 1.00 0.00 H new ATOM 0 HG13 ILE A 22 55.325 4.290 16.660 1.00 0.00 H new ATOM 0 HG21 ILE A 22 55.608 7.523 14.739 1.00 0.00 H new ATOM 0 HG22 ILE A 22 56.345 6.749 13.316 1.00 0.00 H new ATOM 0 HG23 ILE A 22 54.691 6.314 13.809 1.00 0.00 H new ATOM 0 HD11 ILE A 22 54.966 6.163 18.255 1.00 0.00 H new ATOM 0 HD12 ILE A 22 56.674 6.091 17.759 1.00 0.00 H new ATOM 0 HD13 ILE A 22 55.593 7.317 17.054 1.00 0.00 H new ATOM 324 N CYS A 23 58.238 5.054 13.047 1.00 0.00 N ATOM 325 CA CYS A 23 59.030 5.413 11.872 1.00 0.00 C ATOM 326 C CYS A 23 59.760 4.223 11.280 1.00 0.00 C ATOM 327 O CYS A 23 60.047 4.204 10.082 1.00 0.00 O ATOM 328 CB CYS A 23 60.044 6.482 12.271 1.00 0.00 C ATOM 329 SG CYS A 23 59.365 7.469 13.632 1.00 0.00 S ATOM 0 H CYS A 23 58.617 5.408 13.925 1.00 0.00 H new ATOM 0 HA CYS A 23 58.347 5.786 11.109 1.00 0.00 H new ATOM 0 HB2 CYS A 23 60.981 6.016 12.576 1.00 0.00 H new ATOM 0 HB3 CYS A 23 60.270 7.123 11.418 1.00 0.00 H new ATOM 0 HG CYS A 23 59.507 8.733 13.364 1.00 0.00 H new ATOM 334 N GLY A 24 60.075 3.258 12.137 1.00 0.00 N ATOM 335 CA GLY A 24 60.798 2.056 11.725 1.00 0.00 C ATOM 336 C GLY A 24 62.308 2.251 11.812 1.00 0.00 C ATOM 337 O GLY A 24 63.040 1.263 11.878 1.00 0.00 O ATOM 0 H GLY A 24 59.840 3.284 13.129 1.00 0.00 H new ATOM 0 HA2 GLY A 24 60.502 1.218 12.356 1.00 0.00 H new ATOM 0 HA3 GLY A 24 60.522 1.798 10.703 1.00 0.00 H new ATOM 341 N ASN A 25 62.759 3.524 11.755 1.00 0.00 N ATOM 342 CA ASN A 25 64.224 3.834 11.767 1.00 0.00 C ATOM 343 C ASN A 25 64.609 5.149 12.480 1.00 0.00 C ATOM 344 O ASN A 25 65.739 5.615 12.326 1.00 0.00 O ATOM 345 CB ASN A 25 64.764 3.897 10.313 1.00 0.00 C ATOM 346 CG ASN A 25 64.479 2.606 9.549 1.00 0.00 C ATOM 347 OD1 ASN A 25 64.863 1.523 9.992 1.00 0.00 O ATOM 348 ND2 ASN A 25 63.807 2.657 8.434 1.00 0.00 N ATOM 0 H ASN A 25 62.153 4.343 11.701 1.00 0.00 H new ATOM 0 HA ASN A 25 64.675 3.023 12.339 1.00 0.00 H new ATOM 0 HB2 ASN A 25 64.307 4.737 9.791 1.00 0.00 H new ATOM 0 HB3 ASN A 25 65.838 4.080 10.331 1.00 0.00 H new ATOM 0 HD21 ASN A 25 63.597 1.798 7.925 1.00 0.00 H new ATOM 0 HD22 ASN A 25 63.490 3.556 8.070 1.00 0.00 H new ATOM 355 N ASN A 26 63.729 5.720 13.292 1.00 0.00 N ATOM 356 CA ASN A 26 64.090 6.949 14.033 1.00 0.00 C ATOM 357 C ASN A 26 64.961 6.604 15.217 1.00 0.00 C ATOM 358 O ASN A 26 65.908 7.322 15.531 1.00 0.00 O ATOM 359 CB ASN A 26 62.851 7.649 14.526 1.00 0.00 C ATOM 360 CG ASN A 26 62.406 8.713 13.517 1.00 0.00 C ATOM 361 OD1 ASN A 26 62.514 8.509 12.313 1.00 0.00 O ATOM 362 ND2 ASN A 26 61.950 9.860 13.948 1.00 0.00 N ATOM 0 H ASN A 26 62.784 5.375 13.460 1.00 0.00 H new ATOM 0 HA ASN A 26 64.633 7.608 13.356 1.00 0.00 H new ATOM 0 HB2 ASN A 26 62.051 6.924 14.677 1.00 0.00 H new ATOM 0 HB3 ASN A 26 63.047 8.114 15.492 1.00 0.00 H new ATOM 0 HD21 ASN A 26 61.684 10.586 13.282 1.00 0.00 H new ATOM 0 HD22 ASN A 26 61.860 10.029 14.950 1.00 0.00 H new ATOM 369 N ALA A 27 64.591 5.507 15.876 1.00 0.00 N ATOM 370 CA ALA A 27 65.297 5.027 17.052 1.00 0.00 C ATOM 371 C ALA A 27 66.786 4.934 16.744 1.00 0.00 C ATOM 372 O ALA A 27 67.632 5.220 17.592 1.00 0.00 O ATOM 373 CB ALA A 27 64.738 3.662 17.450 1.00 0.00 C ATOM 0 H ALA A 27 63.794 4.930 15.606 1.00 0.00 H new ATOM 0 HA ALA A 27 65.158 5.718 17.883 1.00 0.00 H new ATOM 0 HB1 ALA A 27 65.264 3.297 18.332 1.00 0.00 H new ATOM 0 HB2 ALA A 27 63.675 3.755 17.674 1.00 0.00 H new ATOM 0 HB3 ALA A 27 64.875 2.959 16.628 1.00 0.00 H new ATOM 379 N GLU A 28 67.079 4.578 15.497 1.00 0.00 N ATOM 380 CA GLU A 28 68.428 4.490 15.011 1.00 0.00 C ATOM 381 C GLU A 28 68.983 5.911 14.774 1.00 0.00 C ATOM 382 O GLU A 28 70.047 6.247 15.297 1.00 0.00 O ATOM 383 CB GLU A 28 68.376 3.665 13.704 1.00 0.00 C ATOM 384 CG GLU A 28 69.757 3.243 13.191 1.00 0.00 C ATOM 385 CD GLU A 28 70.339 2.130 14.040 1.00 0.00 C ATOM 386 OE1 GLU A 28 69.909 0.997 13.895 1.00 0.00 O ATOM 387 OE2 GLU A 28 71.195 2.435 14.853 1.00 0.00 O ATOM 0 H GLU A 28 66.373 4.343 14.800 1.00 0.00 H new ATOM 0 HA GLU A 28 69.092 4.005 15.726 1.00 0.00 H new ATOM 0 HB2 GLU A 28 67.771 2.774 13.870 1.00 0.00 H new ATOM 0 HB3 GLU A 28 67.875 4.251 12.934 1.00 0.00 H new ATOM 0 HG2 GLU A 28 69.678 2.911 12.156 1.00 0.00 H new ATOM 0 HG3 GLU A 28 70.429 4.101 13.200 1.00 0.00 H new ATOM 394 N ASP A 29 68.248 6.713 13.969 1.00 0.00 N ATOM 395 CA ASP A 29 68.652 8.097 13.620 1.00 0.00 C ATOM 396 C ASP A 29 67.988 9.145 14.552 1.00 0.00 C ATOM 397 O ASP A 29 67.982 8.962 15.770 1.00 0.00 O ATOM 398 CB ASP A 29 68.304 8.361 12.133 1.00 0.00 C ATOM 399 CG ASP A 29 69.102 9.549 11.572 1.00 0.00 C ATOM 400 OD1 ASP A 29 69.713 10.258 12.357 1.00 0.00 O ATOM 401 OD2 ASP A 29 69.142 9.676 10.362 1.00 0.00 O ATOM 0 H ASP A 29 67.366 6.424 13.546 1.00 0.00 H new ATOM 0 HA ASP A 29 69.728 8.199 13.764 1.00 0.00 H new ATOM 0 HB2 ASP A 29 68.516 7.468 11.544 1.00 0.00 H new ATOM 0 HB3 ASP A 29 67.237 8.560 12.037 1.00 0.00 H new ATOM 406 N TYR A 30 67.443 10.242 13.985 1.00 0.00 N ATOM 407 CA TYR A 30 66.804 11.295 14.783 1.00 0.00 C ATOM 408 C TYR A 30 65.453 10.822 15.316 1.00 0.00 C ATOM 409 O TYR A 30 65.005 9.738 14.953 1.00 0.00 O ATOM 410 CB TYR A 30 66.598 12.552 13.925 1.00 0.00 C ATOM 411 CG TYR A 30 67.949 13.052 13.400 1.00 0.00 C ATOM 412 CD1 TYR A 30 68.800 13.747 14.265 1.00 0.00 C ATOM 413 CD2 TYR A 30 68.332 12.821 12.075 1.00 0.00 C ATOM 414 CE1 TYR A 30 70.039 14.212 13.806 1.00 0.00 C ATOM 415 CE2 TYR A 30 69.571 13.283 11.615 1.00 0.00 C ATOM 416 CZ TYR A 30 70.425 13.979 12.480 1.00 0.00 C ATOM 417 OH TYR A 30 71.646 14.435 12.027 1.00 0.00 O ATOM 0 H TYR A 30 67.436 10.416 12.980 1.00 0.00 H new ATOM 0 HA TYR A 30 67.456 11.528 15.625 1.00 0.00 H new ATOM 0 HB2 TYR A 30 65.934 12.328 13.090 1.00 0.00 H new ATOM 0 HB3 TYR A 30 66.116 13.331 14.516 1.00 0.00 H new ATOM 0 HD1 TYR A 30 68.502 13.925 15.288 1.00 0.00 H new ATOM 0 HD2 TYR A 30 67.673 12.287 11.407 1.00 0.00 H new ATOM 0 HE1 TYR A 30 70.696 14.750 14.474 1.00 0.00 H new ATOM 0 HE2 TYR A 30 69.868 13.103 10.593 1.00 0.00 H new ATOM 0 HH TYR A 30 71.758 14.189 11.085 1.00 0.00 H new ATOM 427 N LYS A 31 64.831 11.651 16.185 1.00 0.00 N ATOM 428 CA LYS A 31 63.528 11.351 16.808 1.00 0.00 C ATOM 429 C LYS A 31 62.572 12.525 16.601 1.00 0.00 C ATOM 430 O LYS A 31 61.900 12.963 17.539 1.00 0.00 O ATOM 431 CB LYS A 31 63.713 11.072 18.323 1.00 0.00 C ATOM 432 CG LYS A 31 64.619 9.827 18.558 1.00 0.00 C ATOM 433 CD LYS A 31 64.801 9.555 20.077 1.00 0.00 C ATOM 434 CE LYS A 31 65.693 8.320 20.313 1.00 0.00 C ATOM 435 NZ LYS A 31 65.847 8.104 21.780 1.00 0.00 N ATOM 0 H LYS A 31 65.222 12.548 16.473 1.00 0.00 H new ATOM 0 HA LYS A 31 63.105 10.463 16.338 1.00 0.00 H new ATOM 0 HB2 LYS A 31 64.156 11.944 18.805 1.00 0.00 H new ATOM 0 HB3 LYS A 31 62.740 10.911 18.788 1.00 0.00 H new ATOM 0 HG2 LYS A 31 64.176 8.954 18.078 1.00 0.00 H new ATOM 0 HG3 LYS A 31 65.592 9.987 18.094 1.00 0.00 H new ATOM 0 HD2 LYS A 31 65.247 10.427 20.556 1.00 0.00 H new ATOM 0 HD3 LYS A 31 63.827 9.399 20.542 1.00 0.00 H new ATOM 0 HE2 LYS A 31 65.248 7.440 19.848 1.00 0.00 H new ATOM 0 HE3 LYS A 31 66.669 8.467 19.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 66.448 7.272 21.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 66.288 8.942 22.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 64.912 7.947 22.208 1.00 0.00 H new ATOM 449 N HIS A 32 62.525 13.015 15.348 1.00 0.00 N ATOM 450 CA HIS A 32 61.654 14.141 14.971 1.00 0.00 C ATOM 451 C HIS A 32 60.410 13.673 14.226 1.00 0.00 C ATOM 452 O HIS A 32 59.373 14.337 14.299 1.00 0.00 O ATOM 453 CB HIS A 32 62.413 15.119 14.081 1.00 0.00 C ATOM 454 CG HIS A 32 63.389 15.904 14.914 1.00 0.00 C ATOM 455 ND1 HIS A 32 64.584 15.359 15.355 1.00 0.00 N ATOM 456 CD2 HIS A 32 63.362 17.190 15.396 1.00 0.00 C ATOM 457 CE1 HIS A 32 65.223 16.303 16.069 1.00 0.00 C ATOM 458 NE2 HIS A 32 64.524 17.441 16.125 1.00 0.00 N ATOM 0 H HIS A 32 63.083 12.646 14.578 1.00 0.00 H new ATOM 0 HA HIS A 32 61.345 14.628 15.896 1.00 0.00 H new ATOM 0 HB2 HIS A 32 62.942 14.578 13.296 1.00 0.00 H new ATOM 0 HB3 HIS A 32 61.715 15.795 13.587 1.00 0.00 H new ATOM 0 HD2 HIS A 32 62.563 17.898 15.235 1.00 0.00 H new ATOM 0 HE1 HIS A 32 66.184 16.159 16.540 1.00 0.00 H new ATOM 0 HE2 HIS A 32 64.784 18.306 16.599 1.00 0.00 H new ATOM 466 N THR A 33 60.518 12.542 13.513 1.00 0.00 N ATOM 467 CA THR A 33 59.379 12.013 12.748 1.00 0.00 C ATOM 468 C THR A 33 58.471 11.200 13.665 1.00 0.00 C ATOM 469 O THR A 33 57.386 10.783 13.261 1.00 0.00 O ATOM 470 CB THR A 33 59.849 11.157 11.560 1.00 0.00 C ATOM 471 OG1 THR A 33 60.141 9.843 11.990 1.00 0.00 O ATOM 472 CG2 THR A 33 61.096 11.772 10.916 1.00 0.00 C ATOM 0 H THR A 33 61.369 11.983 13.450 1.00 0.00 H new ATOM 0 HA THR A 33 58.819 12.857 12.345 1.00 0.00 H new ATOM 0 HB THR A 33 59.047 11.125 10.823 1.00 0.00 H new ATOM 0 HG1 THR A 33 60.587 9.354 11.267 1.00 0.00 H new ATOM 0 HG21 THR A 33 61.415 11.153 10.077 1.00 0.00 H new ATOM 0 HG22 THR A 33 60.864 12.776 10.559 1.00 0.00 H new ATOM 0 HG23 THR A 33 61.897 11.825 11.653 1.00 0.00 H new ATOM 480 N ASP A 34 58.911 11.000 14.910 1.00 0.00 N ATOM 481 CA ASP A 34 58.103 10.258 15.882 1.00 0.00 C ATOM 482 C ASP A 34 56.776 10.962 16.136 1.00 0.00 C ATOM 483 O ASP A 34 55.741 10.315 16.302 1.00 0.00 O ATOM 484 CB ASP A 34 58.854 10.104 17.216 1.00 0.00 C ATOM 485 CG ASP A 34 59.752 8.869 17.194 1.00 0.00 C ATOM 486 OD1 ASP A 34 59.216 7.779 17.151 1.00 0.00 O ATOM 487 OD2 ASP A 34 60.956 9.027 17.223 1.00 0.00 O ATOM 0 H ASP A 34 59.807 11.335 15.265 1.00 0.00 H new ATOM 0 HA ASP A 34 57.912 9.271 15.461 1.00 0.00 H new ATOM 0 HB2 ASP A 34 59.456 10.993 17.404 1.00 0.00 H new ATOM 0 HB3 ASP A 34 58.138 10.024 18.034 1.00 0.00 H new ATOM 492 N MET A 35 56.812 12.283 16.171 1.00 0.00 N ATOM 493 CA MET A 35 55.596 13.059 16.412 1.00 0.00 C ATOM 494 C MET A 35 54.610 12.895 15.259 1.00 0.00 C ATOM 495 O MET A 35 53.406 12.765 15.486 1.00 0.00 O ATOM 496 CB MET A 35 55.939 14.546 16.591 1.00 0.00 C ATOM 497 CG MET A 35 56.571 14.792 17.975 1.00 0.00 C ATOM 498 SD MET A 35 57.245 16.476 18.049 1.00 0.00 S ATOM 499 CE MET A 35 58.967 16.120 17.594 1.00 0.00 C ATOM 0 H MET A 35 57.656 12.840 16.038 1.00 0.00 H new ATOM 0 HA MET A 35 55.132 12.685 17.325 1.00 0.00 H new ATOM 0 HB2 MET A 35 56.628 14.863 15.808 1.00 0.00 H new ATOM 0 HB3 MET A 35 55.037 15.149 16.484 1.00 0.00 H new ATOM 0 HG2 MET A 35 55.824 14.654 18.756 1.00 0.00 H new ATOM 0 HG3 MET A 35 57.362 14.065 18.159 1.00 0.00 H new ATOM 0 HE1 MET A 35 59.541 17.047 17.587 1.00 0.00 H new ATOM 0 HE2 MET A 35 59.400 15.431 18.319 1.00 0.00 H new ATOM 0 HE3 MET A 35 58.995 15.668 16.602 1.00 0.00 H new ATOM 509 N ASP A 36 55.133 12.913 14.024 1.00 0.00 N ATOM 510 CA ASP A 36 54.302 12.770 12.819 1.00 0.00 C ATOM 511 C ASP A 36 55.135 12.246 11.653 1.00 0.00 C ATOM 512 O ASP A 36 56.264 12.691 11.439 1.00 0.00 O ATOM 513 CB ASP A 36 53.689 14.123 12.424 1.00 0.00 C ATOM 514 CG ASP A 36 52.432 13.907 11.586 1.00 0.00 C ATOM 515 OD1 ASP A 36 52.445 13.026 10.744 1.00 0.00 O ATOM 516 OD2 ASP A 36 51.472 14.626 11.807 1.00 0.00 O ATOM 0 H ASP A 36 56.129 13.025 13.833 1.00 0.00 H new ATOM 0 HA ASP A 36 53.506 12.061 13.045 1.00 0.00 H new ATOM 0 HB2 ASP A 36 53.444 14.695 13.319 1.00 0.00 H new ATOM 0 HB3 ASP A 36 54.415 14.709 11.860 1.00 0.00 H new ATOM 521 N LEU A 37 54.562 11.311 10.894 1.00 0.00 N ATOM 522 CA LEU A 37 55.250 10.737 9.737 1.00 0.00 C ATOM 523 C LEU A 37 55.261 11.753 8.597 1.00 0.00 C ATOM 524 O LEU A 37 54.204 12.256 8.209 1.00 0.00 O ATOM 525 CB LEU A 37 54.515 9.469 9.252 1.00 0.00 C ATOM 526 CG LEU A 37 54.627 8.296 10.279 1.00 0.00 C ATOM 527 CD1 LEU A 37 53.637 7.179 9.913 1.00 0.00 C ATOM 528 CD2 LEU A 37 56.043 7.671 10.358 1.00 0.00 C ATOM 0 H LEU A 37 53.628 10.936 11.058 1.00 0.00 H new ATOM 0 HA LEU A 37 56.268 10.481 10.030 1.00 0.00 H new ATOM 0 HB2 LEU A 37 53.464 9.702 9.082 1.00 0.00 H new ATOM 0 HB3 LEU A 37 54.930 9.153 8.295 1.00 0.00 H new ATOM 0 HG LEU A 37 54.399 8.733 11.251 1.00 0.00 H new ATOM 0 HD11 LEU A 37 53.723 6.366 10.634 1.00 0.00 H new ATOM 0 HD12 LEU A 37 52.621 7.573 9.930 1.00 0.00 H new ATOM 0 HD13 LEU A 37 53.864 6.804 8.915 1.00 0.00 H new ATOM 0 HD21 LEU A 37 56.044 6.864 11.091 1.00 0.00 H new ATOM 0 HD22 LEU A 37 56.321 7.275 9.381 1.00 0.00 H new ATOM 0 HD23 LEU A 37 56.761 8.434 10.658 1.00 0.00 H new ATOM 540 N THR A 38 56.456 12.036 8.069 1.00 0.00 N ATOM 541 CA THR A 38 56.612 12.991 6.967 1.00 0.00 C ATOM 542 C THR A 38 56.342 12.290 5.635 1.00 0.00 C ATOM 543 O THR A 38 57.014 11.315 5.294 1.00 0.00 O ATOM 544 CB THR A 38 58.050 13.556 6.996 1.00 0.00 C ATOM 545 OG1 THR A 38 58.204 14.354 8.159 1.00 0.00 O ATOM 546 CG2 THR A 38 58.364 14.422 5.757 1.00 0.00 C ATOM 0 H THR A 38 57.330 11.617 8.387 1.00 0.00 H new ATOM 0 HA THR A 38 55.900 13.809 7.078 1.00 0.00 H new ATOM 0 HB THR A 38 58.739 12.712 6.998 1.00 0.00 H new ATOM 0 HG1 THR A 38 59.114 14.717 8.189 1.00 0.00 H new ATOM 0 HG21 THR A 38 59.386 14.796 5.824 1.00 0.00 H new ATOM 0 HG22 THR A 38 58.256 13.819 4.855 1.00 0.00 H new ATOM 0 HG23 THR A 38 57.672 15.263 5.716 1.00 0.00 H new ATOM 554 N TYR A 39 55.363 12.808 4.889 1.00 0.00 N ATOM 555 CA TYR A 39 55.001 12.247 3.588 1.00 0.00 C ATOM 556 C TYR A 39 55.983 12.713 2.518 1.00 0.00 C ATOM 557 O TYR A 39 56.282 13.906 2.427 1.00 0.00 O ATOM 558 CB TYR A 39 53.587 12.695 3.204 1.00 0.00 C ATOM 559 CG TYR A 39 53.211 12.092 1.844 1.00 0.00 C ATOM 560 CD1 TYR A 39 52.739 10.777 1.784 1.00 0.00 C ATOM 561 CD2 TYR A 39 53.336 12.845 0.671 1.00 0.00 C ATOM 562 CE1 TYR A 39 52.393 10.213 0.554 1.00 0.00 C ATOM 563 CE2 TYR A 39 52.990 12.280 -0.561 1.00 0.00 C ATOM 564 CZ TYR A 39 52.515 10.964 -0.620 1.00 0.00 C ATOM 565 OH TYR A 39 52.175 10.406 -1.835 1.00 0.00 O ATOM 0 H TYR A 39 54.807 13.617 5.166 1.00 0.00 H new ATOM 0 HA TYR A 39 55.036 11.160 3.657 1.00 0.00 H new ATOM 0 HB2 TYR A 39 52.874 12.377 3.965 1.00 0.00 H new ATOM 0 HB3 TYR A 39 53.539 13.783 3.157 1.00 0.00 H new ATOM 0 HD1 TYR A 39 52.642 10.197 2.690 1.00 0.00 H new ATOM 0 HD2 TYR A 39 53.699 13.861 0.717 1.00 0.00 H new ATOM 0 HE1 TYR A 39 52.031 9.196 0.509 1.00 0.00 H new ATOM 0 HE2 TYR A 39 53.089 12.859 -1.467 1.00 0.00 H new ATOM 0 HH TYR A 39 52.318 11.063 -2.548 1.00 0.00 H new ATOM 575 N THR A 40 56.475 11.763 1.717 1.00 0.00 N ATOM 576 CA THR A 40 57.424 12.067 0.638 1.00 0.00 C ATOM 577 C THR A 40 57.377 10.982 -0.436 1.00 0.00 C ATOM 578 O THR A 40 57.130 9.813 -0.132 1.00 0.00 O ATOM 579 CB THR A 40 58.859 12.213 1.192 1.00 0.00 C ATOM 580 OG1 THR A 40 59.700 12.706 0.160 1.00 0.00 O ATOM 581 CG2 THR A 40 59.418 10.867 1.691 1.00 0.00 C ATOM 0 H THR A 40 56.232 10.775 1.794 1.00 0.00 H new ATOM 0 HA THR A 40 57.133 13.016 0.188 1.00 0.00 H new ATOM 0 HB THR A 40 58.830 12.902 2.036 1.00 0.00 H new ATOM 0 HG1 THR A 40 60.613 12.804 0.501 1.00 0.00 H new ATOM 0 HG21 THR A 40 60.429 11.012 2.073 1.00 0.00 H new ATOM 0 HG22 THR A 40 58.781 10.481 2.487 1.00 0.00 H new ATOM 0 HG23 THR A 40 59.440 10.154 0.867 1.00 0.00 H new ATOM 589 N ASP A 41 57.626 11.388 -1.685 1.00 0.00 N ATOM 590 CA ASP A 41 57.622 10.461 -2.816 1.00 0.00 C ATOM 591 C ASP A 41 58.948 9.712 -2.893 1.00 0.00 C ATOM 592 O ASP A 41 59.857 10.112 -3.622 1.00 0.00 O ATOM 593 CB ASP A 41 57.397 11.240 -4.120 1.00 0.00 C ATOM 594 CG ASP A 41 55.997 11.851 -4.141 1.00 0.00 C ATOM 595 OD1 ASP A 41 55.039 11.101 -4.046 1.00 0.00 O ATOM 596 OD2 ASP A 41 55.908 13.063 -4.247 1.00 0.00 O ATOM 0 H ASP A 41 57.833 12.355 -1.936 1.00 0.00 H new ATOM 0 HA ASP A 41 56.817 9.740 -2.676 1.00 0.00 H new ATOM 0 HB2 ASP A 41 58.145 12.027 -4.215 1.00 0.00 H new ATOM 0 HB3 ASP A 41 57.523 10.575 -4.975 1.00 0.00 H new ATOM 601 N ARG A 42 59.046 8.620 -2.136 1.00 0.00 N ATOM 602 CA ARG A 42 60.262 7.810 -2.113 1.00 0.00 C ATOM 603 C ARG A 42 60.380 7.018 -3.416 1.00 0.00 C ATOM 604 O ARG A 42 59.423 6.380 -3.856 1.00 0.00 O ATOM 605 CB ARG A 42 60.206 6.844 -0.906 1.00 0.00 C ATOM 606 CG ARG A 42 61.591 6.198 -0.597 1.00 0.00 C ATOM 607 CD ARG A 42 61.499 5.258 0.621 1.00 0.00 C ATOM 608 NE ARG A 42 61.210 6.014 1.838 1.00 0.00 N ATOM 609 CZ ARG A 42 61.076 5.403 3.007 1.00 0.00 C ATOM 610 NH1 ARG A 42 61.213 4.109 3.085 1.00 0.00 N ATOM 611 NH2 ARG A 42 60.806 6.094 4.080 1.00 0.00 N ATOM 0 H ARG A 42 58.299 8.277 -1.532 1.00 0.00 H new ATOM 0 HA ARG A 42 61.133 8.458 -2.017 1.00 0.00 H new ATOM 0 HB2 ARG A 42 59.856 7.385 -0.027 1.00 0.00 H new ATOM 0 HB3 ARG A 42 59.478 6.058 -1.107 1.00 0.00 H new ATOM 0 HG2 ARG A 42 61.939 5.640 -1.467 1.00 0.00 H new ATOM 0 HG3 ARG A 42 62.326 6.979 -0.404 1.00 0.00 H new ATOM 0 HD2 ARG A 42 60.719 4.515 0.455 1.00 0.00 H new ATOM 0 HD3 ARG A 42 62.437 4.715 0.739 1.00 0.00 H new ATOM 0 HE ARG A 42 61.110 7.028 1.787 1.00 0.00 H new ATOM 0 HH11 ARG A 42 61.423 3.567 2.247 1.00 0.00 H new ATOM 0 HH12 ARG A 42 61.110 3.639 3.984 1.00 0.00 H new ATOM 0 HH21 ARG A 42 60.698 7.106 4.021 1.00 0.00 H new ATOM 0 HH22 ARG A 42 60.703 5.622 4.978 1.00 0.00 H new ATOM 625 N ASP A 43 61.564 7.057 -4.018 1.00 0.00 N ATOM 626 CA ASP A 43 61.808 6.330 -5.261 1.00 0.00 C ATOM 627 C ASP A 43 61.776 4.823 -5.014 1.00 0.00 C ATOM 628 O ASP A 43 62.356 4.331 -4.046 1.00 0.00 O ATOM 629 CB ASP A 43 63.168 6.732 -5.855 1.00 0.00 C ATOM 630 CG ASP A 43 64.316 6.363 -4.909 1.00 0.00 C ATOM 631 OD1 ASP A 43 64.085 6.321 -3.712 1.00 0.00 O ATOM 632 OD2 ASP A 43 65.409 6.135 -5.403 1.00 0.00 O ATOM 0 H ASP A 43 62.366 7.581 -3.669 1.00 0.00 H new ATOM 0 HA ASP A 43 61.020 6.587 -5.969 1.00 0.00 H new ATOM 0 HB2 ASP A 43 63.310 6.235 -6.815 1.00 0.00 H new ATOM 0 HB3 ASP A 43 63.181 7.805 -6.047 1.00 0.00 H new ATOM 637 N TYR A 44 61.094 4.095 -5.895 1.00 0.00 N ATOM 638 CA TYR A 44 60.992 2.644 -5.763 1.00 0.00 C ATOM 639 C TYR A 44 62.373 1.997 -5.846 1.00 0.00 C ATOM 640 O TYR A 44 62.724 1.154 -5.022 1.00 0.00 O ATOM 641 CB TYR A 44 60.090 2.081 -6.870 1.00 0.00 C ATOM 642 CG TYR A 44 60.097 0.545 -6.818 1.00 0.00 C ATOM 643 CD1 TYR A 44 59.281 -0.115 -5.887 1.00 0.00 C ATOM 644 CD2 TYR A 44 60.912 -0.196 -7.683 1.00 0.00 C ATOM 645 CE1 TYR A 44 59.279 -1.517 -5.828 1.00 0.00 C ATOM 646 CE2 TYR A 44 60.911 -1.592 -7.621 1.00 0.00 C ATOM 647 CZ TYR A 44 60.095 -2.254 -6.693 1.00 0.00 C ATOM 648 OH TYR A 44 60.096 -3.633 -6.634 1.00 0.00 O ATOM 0 H TYR A 44 60.607 4.483 -6.703 1.00 0.00 H new ATOM 0 HA TYR A 44 60.558 2.416 -4.790 1.00 0.00 H new ATOM 0 HB2 TYR A 44 59.073 2.453 -6.747 1.00 0.00 H new ATOM 0 HB3 TYR A 44 60.439 2.422 -7.845 1.00 0.00 H new ATOM 0 HD1 TYR A 44 58.655 0.455 -5.217 1.00 0.00 H new ATOM 0 HD2 TYR A 44 61.542 0.312 -8.398 1.00 0.00 H new ATOM 0 HE1 TYR A 44 58.648 -2.027 -5.115 1.00 0.00 H new ATOM 0 HE2 TYR A 44 61.540 -2.162 -8.289 1.00 0.00 H new ATOM 0 HH TYR A 44 60.717 -3.989 -7.303 1.00 0.00 H new ATOM 658 N LYS A 45 63.148 2.394 -6.850 1.00 0.00 N ATOM 659 CA LYS A 45 64.486 1.840 -7.033 1.00 0.00 C ATOM 660 C LYS A 45 65.396 2.303 -5.899 1.00 0.00 C ATOM 661 O LYS A 45 65.496 3.500 -5.630 1.00 0.00 O ATOM 662 CB LYS A 45 65.075 2.308 -8.380 1.00 0.00 C ATOM 663 CG LYS A 45 64.280 1.713 -9.576 1.00 0.00 C ATOM 664 CD LYS A 45 64.838 2.243 -10.926 1.00 0.00 C ATOM 665 CE LYS A 45 64.067 1.638 -12.118 1.00 0.00 C ATOM 666 NZ LYS A 45 64.620 2.194 -13.386 1.00 0.00 N ATOM 0 H LYS A 45 62.877 3.091 -7.544 1.00 0.00 H new ATOM 0 HA LYS A 45 64.418 0.752 -7.028 1.00 0.00 H new ATOM 0 HB2 LYS A 45 65.054 3.397 -8.431 1.00 0.00 H new ATOM 0 HB3 LYS A 45 66.120 2.006 -8.448 1.00 0.00 H new ATOM 0 HG2 LYS A 45 64.341 0.625 -9.554 1.00 0.00 H new ATOM 0 HG3 LYS A 45 63.226 1.975 -9.485 1.00 0.00 H new ATOM 0 HD2 LYS A 45 64.762 3.330 -10.953 1.00 0.00 H new ATOM 0 HD3 LYS A 45 65.896 1.995 -11.009 1.00 0.00 H new ATOM 0 HE2 LYS A 45 64.157 0.552 -12.112 1.00 0.00 H new ATOM 0 HE3 LYS A 45 63.005 1.870 -12.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 64.106 1.791 -14.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 64.512 3.228 -13.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 65.628 1.951 -13.461 1.00 0.00 H new ATOM 680 N ASN A 46 66.053 1.343 -5.240 1.00 0.00 N ATOM 681 CA ASN A 46 66.956 1.648 -4.129 1.00 0.00 C ATOM 682 C ASN A 46 68.302 2.140 -4.653 1.00 0.00 C ATOM 683 O ASN A 46 68.911 1.504 -5.514 1.00 0.00 O ATOM 684 CB ASN A 46 67.171 0.396 -3.272 1.00 0.00 C ATOM 685 CG ASN A 46 67.530 0.788 -1.839 1.00 0.00 C ATOM 686 OD1 ASN A 46 68.190 1.803 -1.616 1.00 0.00 O ATOM 687 ND2 ASN A 46 67.119 0.041 -0.850 1.00 0.00 N ATOM 0 H ASN A 46 65.976 0.349 -5.458 1.00 0.00 H new ATOM 0 HA ASN A 46 66.503 2.433 -3.523 1.00 0.00 H new ATOM 0 HB2 ASN A 46 66.267 -0.214 -3.274 1.00 0.00 H new ATOM 0 HB3 ASN A 46 67.967 -0.213 -3.700 1.00 0.00 H new ATOM 0 HD21 ASN A 46 67.345 0.298 0.111 1.00 0.00 H new ATOM 0 HD22 ASN A 46 66.572 -0.799 -1.038 1.00 0.00 H new ATOM 694 N CYS A 47 68.762 3.275 -4.134 1.00 0.00 N ATOM 695 CA CYS A 47 70.037 3.839 -4.566 1.00 0.00 C ATOM 696 C CYS A 47 71.203 2.928 -4.177 1.00 0.00 C ATOM 697 O CYS A 47 72.118 2.725 -4.979 1.00 0.00 O ATOM 698 CB CYS A 47 70.236 5.220 -3.937 1.00 0.00 C ATOM 699 SG CYS A 47 68.994 6.363 -4.589 1.00 0.00 S ATOM 0 H CYS A 47 68.276 3.818 -3.420 1.00 0.00 H new ATOM 0 HA CYS A 47 70.016 3.929 -5.652 1.00 0.00 H new ATOM 0 HB2 CYS A 47 70.151 5.153 -2.852 1.00 0.00 H new ATOM 0 HB3 CYS A 47 71.237 5.590 -4.156 1.00 0.00 H new ATOM 0 HG CYS A 47 69.160 7.536 -4.054 1.00 0.00 H new ATOM 705 N GLU A 48 71.149 2.399 -2.941 1.00 0.00 N ATOM 706 CA GLU A 48 72.189 1.502 -2.396 1.00 0.00 C ATOM 707 C GLU A 48 71.531 0.363 -1.617 1.00 0.00 C ATOM 708 O GLU A 48 70.453 0.541 -1.050 1.00 0.00 O ATOM 709 CB GLU A 48 73.124 2.278 -1.444 1.00 0.00 C ATOM 710 CG GLU A 48 74.243 3.018 -2.210 1.00 0.00 C ATOM 711 CD GLU A 48 75.377 2.063 -2.595 1.00 0.00 C ATOM 712 OE1 GLU A 48 76.006 1.523 -1.699 1.00 0.00 O ATOM 713 OE2 GLU A 48 75.584 1.877 -3.783 1.00 0.00 O ATOM 0 H GLU A 48 70.384 2.580 -2.291 1.00 0.00 H new ATOM 0 HA GLU A 48 72.769 1.102 -3.227 1.00 0.00 H new ATOM 0 HB2 GLU A 48 72.541 2.998 -0.869 1.00 0.00 H new ATOM 0 HB3 GLU A 48 73.570 1.586 -0.730 1.00 0.00 H new ATOM 0 HG2 GLU A 48 73.830 3.477 -3.108 1.00 0.00 H new ATOM 0 HG3 GLU A 48 74.638 3.825 -1.592 1.00 0.00 H new ATOM 720 N SER A 49 72.190 -0.801 -1.599 1.00 0.00 N ATOM 721 CA SER A 49 71.672 -1.970 -0.889 1.00 0.00 C ATOM 722 C SER A 49 72.791 -2.966 -0.607 1.00 0.00 C ATOM 723 O SER A 49 73.810 -2.972 -1.299 1.00 0.00 O ATOM 724 CB SER A 49 70.583 -2.645 -1.725 1.00 0.00 C ATOM 725 OG SER A 49 71.089 -2.907 -3.029 1.00 0.00 O ATOM 0 H SER A 49 73.082 -0.956 -2.068 1.00 0.00 H new ATOM 0 HA SER A 49 71.250 -1.639 0.060 1.00 0.00 H new ATOM 0 HB2 SER A 49 70.267 -3.574 -1.251 1.00 0.00 H new ATOM 0 HB3 SER A 49 69.704 -2.003 -1.785 1.00 0.00 H new ATOM 0 HG SER A 49 70.395 -3.341 -3.568 1.00 0.00 H new ATOM 731 N TYR A 50 72.574 -3.802 0.418 1.00 0.00 N ATOM 732 CA TYR A 50 73.536 -4.827 0.826 1.00 0.00 C ATOM 733 C TYR A 50 72.789 -6.018 1.414 1.00 0.00 C ATOM 734 O TYR A 50 71.711 -5.849 1.988 1.00 0.00 O ATOM 735 CB TYR A 50 74.507 -4.247 1.857 1.00 0.00 C ATOM 736 CG TYR A 50 75.642 -3.506 1.136 1.00 0.00 C ATOM 737 CD1 TYR A 50 76.769 -4.218 0.700 1.00 0.00 C ATOM 738 CD2 TYR A 50 75.560 -2.126 0.919 1.00 0.00 C ATOM 739 CE1 TYR A 50 77.808 -3.550 0.045 1.00 0.00 C ATOM 740 CE2 TYR A 50 76.602 -1.457 0.261 1.00 0.00 C ATOM 741 CZ TYR A 50 77.727 -2.169 -0.175 1.00 0.00 C ATOM 742 OH TYR A 50 78.753 -1.511 -0.821 1.00 0.00 O ATOM 0 H TYR A 50 71.726 -3.784 0.985 1.00 0.00 H new ATOM 0 HA TYR A 50 74.106 -5.158 -0.042 1.00 0.00 H new ATOM 0 HB2 TYR A 50 73.980 -3.565 2.524 1.00 0.00 H new ATOM 0 HB3 TYR A 50 74.916 -5.046 2.476 1.00 0.00 H new ATOM 0 HD1 TYR A 50 76.834 -5.282 0.870 1.00 0.00 H new ATOM 0 HD2 TYR A 50 74.694 -1.576 1.258 1.00 0.00 H new ATOM 0 HE1 TYR A 50 78.674 -4.100 -0.292 1.00 0.00 H new ATOM 0 HE2 TYR A 50 76.537 -0.393 0.090 1.00 0.00 H new ATOM 0 HH TYR A 50 78.537 -0.558 -0.893 1.00 0.00 H new ATOM 752 N HIS A 51 73.379 -7.211 1.264 1.00 0.00 N ATOM 753 CA HIS A 51 72.791 -8.456 1.773 1.00 0.00 C ATOM 754 C HIS A 51 73.298 -8.764 3.180 1.00 0.00 C ATOM 755 O HIS A 51 72.784 -9.657 3.853 1.00 0.00 O ATOM 756 CB HIS A 51 73.171 -9.610 0.841 1.00 0.00 C ATOM 757 CG HIS A 51 72.461 -9.448 -0.475 1.00 0.00 C ATOM 758 ND1 HIS A 51 71.104 -9.693 -0.617 1.00 0.00 N ATOM 759 CD2 HIS A 51 72.902 -9.069 -1.720 1.00 0.00 C ATOM 760 CE1 HIS A 51 70.778 -9.460 -1.903 1.00 0.00 C ATOM 761 NE2 HIS A 51 71.840 -9.079 -2.618 1.00 0.00 N ATOM 0 H HIS A 51 74.272 -7.340 0.789 1.00 0.00 H new ATOM 0 HA HIS A 51 71.708 -8.338 1.810 1.00 0.00 H new ATOM 0 HB2 HIS A 51 74.250 -9.625 0.685 1.00 0.00 H new ATOM 0 HB3 HIS A 51 72.902 -10.563 1.297 1.00 0.00 H new ATOM 0 HD2 HIS A 51 73.920 -8.803 -1.964 1.00 0.00 H new ATOM 0 HE1 HIS A 51 69.782 -9.568 -2.306 1.00 0.00 H new ATOM 0 HE2 HIS A 51 71.866 -8.845 -3.611 1.00 0.00 H new ATOM 769 N LYS A 52 74.326 -8.037 3.603 1.00 0.00 N ATOM 770 CA LYS A 52 74.922 -8.258 4.922 1.00 0.00 C ATOM 771 C LYS A 52 73.933 -7.957 6.050 1.00 0.00 C ATOM 772 O LYS A 52 73.887 -8.698 7.035 1.00 0.00 O ATOM 773 CB LYS A 52 76.174 -7.375 5.100 1.00 0.00 C ATOM 774 CG LYS A 52 77.346 -7.859 4.210 1.00 0.00 C ATOM 775 CD LYS A 52 78.252 -8.872 4.960 1.00 0.00 C ATOM 776 CE LYS A 52 79.183 -9.589 3.970 1.00 0.00 C ATOM 777 NZ LYS A 52 80.201 -10.366 4.733 1.00 0.00 N ATOM 0 H LYS A 52 74.764 -7.294 3.059 1.00 0.00 H new ATOM 0 HA LYS A 52 75.199 -9.311 4.977 1.00 0.00 H new ATOM 0 HB2 LYS A 52 75.930 -6.342 4.851 1.00 0.00 H new ATOM 0 HB3 LYS A 52 76.482 -7.386 6.146 1.00 0.00 H new ATOM 0 HG2 LYS A 52 76.950 -8.323 3.307 1.00 0.00 H new ATOM 0 HG3 LYS A 52 77.941 -7.002 3.894 1.00 0.00 H new ATOM 0 HD2 LYS A 52 78.843 -8.353 5.715 1.00 0.00 H new ATOM 0 HD3 LYS A 52 77.636 -9.602 5.485 1.00 0.00 H new ATOM 0 HE2 LYS A 52 78.607 -10.254 3.326 1.00 0.00 H new ATOM 0 HE3 LYS A 52 79.673 -8.863 3.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 80.835 -10.854 4.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 80.756 -9.719 5.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 79.723 -11.067 5.334 1.00 0.00 H new ATOM 791 N CYS A 53 73.150 -6.881 5.890 1.00 0.00 N ATOM 792 CA CYS A 53 72.153 -6.467 6.886 1.00 0.00 C ATOM 793 C CYS A 53 70.771 -6.997 6.527 1.00 0.00 C ATOM 794 O CYS A 53 70.428 -7.117 5.351 1.00 0.00 O ATOM 795 CB CYS A 53 72.106 -4.936 6.916 1.00 0.00 C ATOM 796 SG CYS A 53 70.667 -4.357 7.853 1.00 0.00 S ATOM 0 H CYS A 53 73.190 -6.276 5.070 1.00 0.00 H new ATOM 0 HA CYS A 53 72.435 -6.869 7.859 1.00 0.00 H new ATOM 0 HB2 CYS A 53 73.020 -4.548 7.367 1.00 0.00 H new ATOM 0 HB3 CYS A 53 72.063 -4.549 5.898 1.00 0.00 H new ATOM 0 HG CYS A 53 70.416 -3.120 7.542 1.00 0.00 H new ATOM 802 N SER A 54 69.973 -7.309 7.552 1.00 0.00 N ATOM 803 CA SER A 54 68.608 -7.824 7.355 1.00 0.00 C ATOM 804 C SER A 54 67.704 -6.868 6.535 1.00 0.00 C ATOM 805 O SER A 54 66.546 -7.202 6.277 1.00 0.00 O ATOM 806 CB SER A 54 67.959 -8.078 8.715 1.00 0.00 C ATOM 807 OG SER A 54 68.745 -9.012 9.444 1.00 0.00 O ATOM 0 H SER A 54 70.246 -7.215 8.530 1.00 0.00 H new ATOM 0 HA SER A 54 68.701 -8.748 6.784 1.00 0.00 H new ATOM 0 HB2 SER A 54 67.875 -7.144 9.271 1.00 0.00 H new ATOM 0 HB3 SER A 54 66.948 -8.462 8.582 1.00 0.00 H new ATOM 0 HG SER A 54 68.332 -9.176 10.318 1.00 0.00 H new ATOM 813 N ASP A 55 68.238 -5.691 6.126 1.00 0.00 N ATOM 814 CA ASP A 55 67.520 -4.679 5.323 1.00 0.00 C ATOM 815 C ASP A 55 66.508 -3.904 6.160 1.00 0.00 C ATOM 816 O ASP A 55 65.972 -2.891 5.708 1.00 0.00 O ATOM 817 CB ASP A 55 66.812 -5.307 4.112 1.00 0.00 C ATOM 818 CG ASP A 55 66.823 -4.352 2.926 1.00 0.00 C ATOM 819 OD1 ASP A 55 65.938 -3.520 2.841 1.00 0.00 O ATOM 820 OD2 ASP A 55 67.697 -4.507 2.088 1.00 0.00 O ATOM 0 H ASP A 55 69.195 -5.417 6.350 1.00 0.00 H new ATOM 0 HA ASP A 55 68.278 -3.984 4.962 1.00 0.00 H new ATOM 0 HB2 ASP A 55 67.306 -6.239 3.839 1.00 0.00 H new ATOM 0 HB3 ASP A 55 65.784 -5.556 4.375 1.00 0.00 H new ATOM 825 N LEU A 56 66.238 -4.385 7.366 1.00 0.00 N ATOM 826 CA LEU A 56 65.281 -3.726 8.240 1.00 0.00 C ATOM 827 C LEU A 56 65.791 -2.332 8.586 1.00 0.00 C ATOM 828 O LEU A 56 65.086 -1.342 8.377 1.00 0.00 O ATOM 829 CB LEU A 56 65.109 -4.538 9.545 1.00 0.00 C ATOM 830 CG LEU A 56 64.542 -5.973 9.280 1.00 0.00 C ATOM 831 CD1 LEU A 56 64.612 -6.816 10.561 1.00 0.00 C ATOM 832 CD2 LEU A 56 63.073 -5.972 8.779 1.00 0.00 C ATOM 0 H LEU A 56 66.666 -5.224 7.758 1.00 0.00 H new ATOM 0 HA LEU A 56 64.321 -3.657 7.729 1.00 0.00 H new ATOM 0 HB2 LEU A 56 66.071 -4.617 10.051 1.00 0.00 H new ATOM 0 HB3 LEU A 56 64.439 -4.003 10.218 1.00 0.00 H new ATOM 0 HG LEU A 56 65.165 -6.398 8.493 1.00 0.00 H new ATOM 0 HD11 LEU A 56 64.215 -7.812 10.364 1.00 0.00 H new ATOM 0 HD12 LEU A 56 65.649 -6.897 10.887 1.00 0.00 H new ATOM 0 HD13 LEU A 56 64.022 -6.339 11.343 1.00 0.00 H new ATOM 0 HD21 LEU A 56 62.744 -6.998 8.615 1.00 0.00 H new ATOM 0 HD22 LEU A 56 62.434 -5.501 9.526 1.00 0.00 H new ATOM 0 HD23 LEU A 56 63.008 -5.417 7.843 1.00 0.00 H new ATOM 844 N CYS A 57 67.035 -2.280 9.086 1.00 0.00 N ATOM 845 CA CYS A 57 67.705 -1.029 9.452 1.00 0.00 C ATOM 846 C CYS A 57 68.536 -0.550 8.265 1.00 0.00 C ATOM 847 O CYS A 57 69.310 -1.317 7.690 1.00 0.00 O ATOM 848 CB CYS A 57 68.542 -1.287 10.703 1.00 0.00 C ATOM 849 SG CYS A 57 69.733 0.053 11.015 1.00 0.00 S ATOM 0 H CYS A 57 67.605 -3.110 9.247 1.00 0.00 H new ATOM 0 HA CYS A 57 66.994 -0.236 9.685 1.00 0.00 H new ATOM 0 HB2 CYS A 57 67.883 -1.394 11.564 1.00 0.00 H new ATOM 0 HB3 CYS A 57 69.078 -2.230 10.593 1.00 0.00 H new ATOM 0 HG CYS A 57 70.902 -0.456 11.269 1.00 0.00 H new ATOM 854 N GLN A 58 68.317 0.692 7.867 1.00 0.00 N ATOM 855 CA GLN A 58 68.987 1.263 6.696 1.00 0.00 C ATOM 856 C GLN A 58 70.465 1.580 6.938 1.00 0.00 C ATOM 857 O GLN A 58 71.298 1.391 6.055 1.00 0.00 O ATOM 858 CB GLN A 58 68.285 2.570 6.271 1.00 0.00 C ATOM 859 CG GLN A 58 66.757 2.384 6.182 1.00 0.00 C ATOM 860 CD GLN A 58 66.095 3.626 5.585 1.00 0.00 C ATOM 861 OE1 GLN A 58 66.751 4.639 5.341 1.00 0.00 O ATOM 862 NE2 GLN A 58 64.814 3.601 5.336 1.00 0.00 N ATOM 0 H GLN A 58 67.677 1.333 8.337 1.00 0.00 H new ATOM 0 HA GLN A 58 68.926 0.504 5.916 1.00 0.00 H new ATOM 0 HB2 GLN A 58 68.516 3.358 6.987 1.00 0.00 H new ATOM 0 HB3 GLN A 58 68.671 2.894 5.304 1.00 0.00 H new ATOM 0 HG2 GLN A 58 66.527 1.513 5.569 1.00 0.00 H new ATOM 0 HG3 GLN A 58 66.351 2.191 7.175 1.00 0.00 H new ATOM 0 HE21 GLN A 58 64.271 2.761 5.538 1.00 0.00 H new ATOM 0 HE22 GLN A 58 64.356 4.421 4.939 1.00 0.00 H new ATOM 871 N TYR A 59 70.768 2.109 8.111 1.00 0.00 N ATOM 872 CA TYR A 59 72.135 2.516 8.441 1.00 0.00 C ATOM 873 C TYR A 59 73.038 1.322 8.715 1.00 0.00 C ATOM 874 O TYR A 59 74.255 1.410 8.554 1.00 0.00 O ATOM 875 CB TYR A 59 72.112 3.454 9.641 1.00 0.00 C ATOM 876 CG TYR A 59 71.323 4.714 9.256 1.00 0.00 C ATOM 877 CD1 TYR A 59 69.936 4.743 9.440 1.00 0.00 C ATOM 878 CD2 TYR A 59 71.979 5.829 8.716 1.00 0.00 C ATOM 879 CE1 TYR A 59 69.204 5.884 9.089 1.00 0.00 C ATOM 880 CE2 TYR A 59 71.244 6.970 8.364 1.00 0.00 C ATOM 881 CZ TYR A 59 69.858 6.998 8.551 1.00 0.00 C ATOM 882 OH TYR A 59 69.135 8.120 8.204 1.00 0.00 O ATOM 0 H TYR A 59 70.089 2.269 8.856 1.00 0.00 H new ATOM 0 HA TYR A 59 72.549 3.036 7.577 1.00 0.00 H new ATOM 0 HB2 TYR A 59 71.649 2.963 10.497 1.00 0.00 H new ATOM 0 HB3 TYR A 59 73.128 3.718 9.936 1.00 0.00 H new ATOM 0 HD1 TYR A 59 69.429 3.884 9.854 1.00 0.00 H new ATOM 0 HD2 TYR A 59 73.049 5.809 8.571 1.00 0.00 H new ATOM 0 HE1 TYR A 59 68.134 5.904 9.234 1.00 0.00 H new ATOM 0 HE2 TYR A 59 71.749 7.829 7.948 1.00 0.00 H new ATOM 0 HH TYR A 59 69.381 8.863 8.794 1.00 0.00 H new ATOM 892 N CYS A 60 72.448 0.211 9.123 1.00 0.00 N ATOM 893 CA CYS A 60 73.220 -0.979 9.411 1.00 0.00 C ATOM 894 C CYS A 60 73.905 -1.510 8.159 1.00 0.00 C ATOM 895 O CYS A 60 74.856 -2.282 8.249 1.00 0.00 O ATOM 896 CB CYS A 60 72.306 -2.056 9.949 1.00 0.00 C ATOM 897 SG CYS A 60 72.260 -2.016 11.771 1.00 0.00 S ATOM 0 H CYS A 60 71.442 0.111 9.261 1.00 0.00 H new ATOM 0 HA CYS A 60 73.980 -0.715 10.146 1.00 0.00 H new ATOM 0 HB2 CYS A 60 71.300 -1.917 9.552 1.00 0.00 H new ATOM 0 HB3 CYS A 60 72.650 -3.033 9.611 1.00 0.00 H new ATOM 0 HG CYS A 60 72.255 -3.232 12.232 1.00 0.00 H new ATOM 902 N ARG A 61 73.390 -1.122 6.997 1.00 0.00 N ATOM 903 CA ARG A 61 73.931 -1.598 5.721 1.00 0.00 C ATOM 904 C ARG A 61 75.412 -1.261 5.589 1.00 0.00 C ATOM 905 O ARG A 61 76.177 -2.048 5.027 1.00 0.00 O ATOM 906 CB ARG A 61 73.182 -0.928 4.559 1.00 0.00 C ATOM 907 CG ARG A 61 71.722 -1.435 4.475 1.00 0.00 C ATOM 908 CD ARG A 61 70.930 -0.657 3.410 1.00 0.00 C ATOM 909 NE ARG A 61 69.601 -1.237 3.268 1.00 0.00 N ATOM 910 CZ ARG A 61 68.697 -0.726 2.437 1.00 0.00 C ATOM 911 NH1 ARG A 61 68.987 0.335 1.739 1.00 0.00 N ATOM 912 NH2 ARG A 61 67.522 -1.284 2.325 1.00 0.00 N ATOM 0 H ARG A 61 72.601 -0.481 6.908 1.00 0.00 H new ATOM 0 HA ARG A 61 73.805 -2.680 5.690 1.00 0.00 H new ATOM 0 HB2 ARG A 61 73.188 0.154 4.693 1.00 0.00 H new ATOM 0 HB3 ARG A 61 73.697 -1.136 3.621 1.00 0.00 H new ATOM 0 HG2 ARG A 61 71.715 -2.498 4.234 1.00 0.00 H new ATOM 0 HG3 ARG A 61 71.238 -1.325 5.446 1.00 0.00 H new ATOM 0 HD2 ARG A 61 70.851 0.392 3.695 1.00 0.00 H new ATOM 0 HD3 ARG A 61 71.456 -0.689 2.456 1.00 0.00 H new ATOM 0 HE ARG A 61 69.357 -2.058 3.822 1.00 0.00 H new ATOM 0 HH11 ARG A 61 69.905 0.771 1.831 1.00 0.00 H new ATOM 0 HH12 ARG A 61 68.296 0.730 1.101 1.00 0.00 H new ATOM 0 HH21 ARG A 61 67.296 -2.113 2.875 1.00 0.00 H new ATOM 0 HH22 ARG A 61 66.830 -0.891 1.687 1.00 0.00 H new ATOM 926 N TYR A 62 75.794 -0.094 6.107 1.00 0.00 N ATOM 927 CA TYR A 62 77.183 0.374 6.049 1.00 0.00 C ATOM 928 C TYR A 62 77.984 -0.071 7.264 1.00 0.00 C ATOM 929 O TYR A 62 79.054 -0.664 7.119 1.00 0.00 O ATOM 930 CB TYR A 62 77.201 1.899 5.985 1.00 0.00 C ATOM 931 CG TYR A 62 76.579 2.355 4.662 1.00 0.00 C ATOM 932 CD1 TYR A 62 77.385 2.515 3.527 1.00 0.00 C ATOM 933 CD2 TYR A 62 75.206 2.618 4.586 1.00 0.00 C ATOM 934 CE1 TYR A 62 76.817 2.932 2.318 1.00 0.00 C ATOM 935 CE2 TYR A 62 74.637 3.037 3.377 1.00 0.00 C ATOM 936 CZ TYR A 62 75.446 3.194 2.242 1.00 0.00 C ATOM 937 OH TYR A 62 74.887 3.607 1.050 1.00 0.00 O ATOM 0 H TYR A 62 75.157 0.551 6.575 1.00 0.00 H new ATOM 0 HA TYR A 62 77.640 -0.059 5.159 1.00 0.00 H new ATOM 0 HB2 TYR A 62 76.646 2.317 6.825 1.00 0.00 H new ATOM 0 HB3 TYR A 62 78.224 2.266 6.065 1.00 0.00 H new ATOM 0 HD1 TYR A 62 78.445 2.316 3.585 1.00 0.00 H new ATOM 0 HD2 TYR A 62 74.585 2.498 5.461 1.00 0.00 H new ATOM 0 HE1 TYR A 62 77.438 3.052 1.443 1.00 0.00 H new ATOM 0 HE2 TYR A 62 73.578 3.239 3.319 1.00 0.00 H new ATOM 0 HH TYR A 62 73.924 3.744 1.170 1.00 0.00 H new ATOM 947 N GLN A 63 77.453 0.251 8.454 1.00 0.00 N ATOM 948 CA GLN A 63 78.096 -0.075 9.743 1.00 0.00 C ATOM 949 C GLN A 63 77.040 -0.503 10.747 1.00 0.00 C ATOM 950 O GLN A 63 76.173 0.287 11.083 1.00 0.00 O ATOM 951 CB GLN A 63 78.830 1.162 10.319 1.00 0.00 C ATOM 952 CG GLN A 63 80.109 1.507 9.528 1.00 0.00 C ATOM 953 CD GLN A 63 80.757 2.772 10.088 1.00 0.00 C ATOM 954 OE1 GLN A 63 80.283 3.346 11.070 1.00 0.00 O ATOM 955 NE2 GLN A 63 81.822 3.247 9.504 1.00 0.00 N ATOM 0 H GLN A 63 76.566 0.745 8.553 1.00 0.00 H new ATOM 0 HA GLN A 63 78.812 -0.878 9.569 1.00 0.00 H new ATOM 0 HB2 GLN A 63 78.156 2.019 10.307 1.00 0.00 H new ATOM 0 HB3 GLN A 63 79.090 0.975 11.361 1.00 0.00 H new ATOM 0 HG2 GLN A 63 80.813 0.676 9.582 1.00 0.00 H new ATOM 0 HG3 GLN A 63 79.865 1.651 8.475 1.00 0.00 H new ATOM 0 HE21 GLN A 63 82.213 2.771 8.691 1.00 0.00 H new ATOM 0 HE22 GLN A 63 82.264 4.095 9.860 1.00 0.00 H new ATOM 964 N LYS A 64 77.116 -1.764 11.182 1.00 0.00 N ATOM 965 CA LYS A 64 76.148 -2.342 12.134 1.00 0.00 C ATOM 966 C LYS A 64 75.938 -1.458 13.369 1.00 0.00 C ATOM 967 O LYS A 64 76.880 -0.820 13.847 1.00 0.00 O ATOM 968 CB LYS A 64 76.620 -3.733 12.618 1.00 0.00 C ATOM 969 CG LYS A 64 76.910 -4.736 11.460 1.00 0.00 C ATOM 970 CD LYS A 64 75.670 -5.022 10.571 1.00 0.00 C ATOM 971 CE LYS A 64 75.883 -6.317 9.772 1.00 0.00 C ATOM 972 NZ LYS A 64 74.953 -6.332 8.612 1.00 0.00 N ATOM 0 H LYS A 64 77.845 -2.415 10.889 1.00 0.00 H new ATOM 0 HA LYS A 64 75.205 -2.421 11.593 1.00 0.00 H new ATOM 0 HB2 LYS A 64 77.523 -3.612 13.216 1.00 0.00 H new ATOM 0 HB3 LYS A 64 75.858 -4.158 13.272 1.00 0.00 H new ATOM 0 HG2 LYS A 64 77.711 -4.339 10.837 1.00 0.00 H new ATOM 0 HG3 LYS A 64 77.270 -5.674 11.883 1.00 0.00 H new ATOM 0 HD2 LYS A 64 74.779 -5.111 11.193 1.00 0.00 H new ATOM 0 HD3 LYS A 64 75.501 -4.188 9.890 1.00 0.00 H new ATOM 0 HE2 LYS A 64 76.915 -6.381 9.427 1.00 0.00 H new ATOM 0 HE3 LYS A 64 75.705 -7.184 10.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 74.600 -7.299 8.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 74.152 -5.696 8.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 75.456 -6.012 7.760 1.00 0.00 H new ATOM 986 N ASP A 65 74.674 -1.454 13.858 1.00 0.00 N ATOM 987 CA ASP A 65 74.253 -0.677 15.044 1.00 0.00 C ATOM 988 C ASP A 65 73.577 -1.584 16.085 1.00 0.00 C ATOM 989 O ASP A 65 72.769 -1.131 16.896 1.00 0.00 O ATOM 990 CB ASP A 65 73.259 0.436 14.660 1.00 0.00 C ATOM 991 CG ASP A 65 73.425 0.882 13.199 1.00 0.00 C ATOM 992 OD1 ASP A 65 74.563 1.144 12.848 1.00 0.00 O ATOM 993 OD2 ASP A 65 72.452 0.933 12.438 1.00 0.00 O ATOM 0 H ASP A 65 73.917 -1.993 13.437 1.00 0.00 H new ATOM 0 HA ASP A 65 75.155 -0.234 15.466 1.00 0.00 H new ATOM 0 HB2 ASP A 65 72.240 0.081 14.817 1.00 0.00 H new ATOM 0 HB3 ASP A 65 73.403 1.293 15.318 1.00 0.00 H new ATOM 998 N LEU A 66 73.915 -2.867 16.102 1.00 0.00 N ATOM 999 CA LEU A 66 73.305 -3.792 17.073 1.00 0.00 C ATOM 1000 C LEU A 66 73.662 -3.430 18.541 1.00 0.00 C ATOM 1001 O LEU A 66 73.254 -4.127 19.471 1.00 0.00 O ATOM 1002 CB LEU A 66 73.753 -5.247 16.763 1.00 0.00 C ATOM 1003 CG LEU A 66 73.098 -5.780 15.448 1.00 0.00 C ATOM 1004 CD1 LEU A 66 74.012 -6.815 14.768 1.00 0.00 C ATOM 1005 CD2 LEU A 66 71.757 -6.490 15.732 1.00 0.00 C ATOM 0 H LEU A 66 74.594 -3.293 15.471 1.00 0.00 H new ATOM 0 HA LEU A 66 72.223 -3.704 16.973 1.00 0.00 H new ATOM 0 HB2 LEU A 66 74.838 -5.283 16.670 1.00 0.00 H new ATOM 0 HB3 LEU A 66 73.482 -5.897 17.595 1.00 0.00 H new ATOM 0 HG LEU A 66 72.940 -4.912 14.808 1.00 0.00 H new ATOM 0 HD11 LEU A 66 73.538 -7.174 13.854 1.00 0.00 H new ATOM 0 HD12 LEU A 66 74.968 -6.351 14.523 1.00 0.00 H new ATOM 0 HD13 LEU A 66 74.178 -7.654 15.444 1.00 0.00 H new ATOM 0 HD21 LEU A 66 71.329 -6.848 14.795 1.00 0.00 H new ATOM 0 HD22 LEU A 66 71.927 -7.335 16.400 1.00 0.00 H new ATOM 0 HD23 LEU A 66 71.067 -5.789 16.202 1.00 0.00 H new ATOM 1017 N ALA A 67 74.402 -2.335 18.746 1.00 0.00 N ATOM 1018 CA ALA A 67 74.784 -1.896 20.078 1.00 0.00 C ATOM 1019 C ALA A 67 73.605 -1.292 20.842 1.00 0.00 C ATOM 1020 O ALA A 67 73.479 -1.516 22.047 1.00 0.00 O ATOM 1021 CB ALA A 67 75.899 -0.856 19.971 1.00 0.00 C ATOM 0 H ALA A 67 74.747 -1.737 17.995 1.00 0.00 H new ATOM 0 HA ALA A 67 75.128 -2.771 20.629 1.00 0.00 H new ATOM 0 HB1 ALA A 67 76.186 -0.526 20.969 1.00 0.00 H new ATOM 0 HB2 ALA A 67 76.762 -1.298 19.473 1.00 0.00 H new ATOM 0 HB3 ALA A 67 75.545 -0.001 19.394 1.00 0.00 H new ATOM 1027 N ILE A 68 72.756 -0.508 20.157 1.00 0.00 N ATOM 1028 CA ILE A 68 71.627 0.125 20.841 1.00 0.00 C ATOM 1029 C ILE A 68 70.661 -0.931 21.421 1.00 0.00 C ATOM 1030 O ILE A 68 70.523 -1.020 22.640 1.00 0.00 O ATOM 1031 CB ILE A 68 70.915 1.178 19.931 1.00 0.00 C ATOM 1032 CG1 ILE A 68 70.813 0.704 18.461 1.00 0.00 C ATOM 1033 CG2 ILE A 68 71.719 2.498 19.935 1.00 0.00 C ATOM 1034 CD1 ILE A 68 69.584 1.329 17.764 1.00 0.00 C ATOM 0 H ILE A 68 72.829 -0.304 19.160 1.00 0.00 H new ATOM 0 HA ILE A 68 72.018 0.684 21.691 1.00 0.00 H new ATOM 0 HB ILE A 68 69.912 1.317 20.334 1.00 0.00 H new ATOM 0 HG12 ILE A 68 71.720 0.978 17.922 1.00 0.00 H new ATOM 0 HG13 ILE A 68 70.740 -0.383 18.429 1.00 0.00 H new ATOM 0 HG21 ILE A 68 71.220 3.230 19.300 1.00 0.00 H new ATOM 0 HG22 ILE A 68 71.781 2.883 20.953 1.00 0.00 H new ATOM 0 HG23 ILE A 68 72.724 2.313 19.555 1.00 0.00 H new ATOM 0 HD11 ILE A 68 69.534 0.981 16.732 1.00 0.00 H new ATOM 0 HD12 ILE A 68 68.677 1.033 18.291 1.00 0.00 H new ATOM 0 HD13 ILE A 68 69.672 2.415 17.776 1.00 0.00 H new ATOM 1046 N HIS A 69 70.027 -1.752 20.582 1.00 0.00 N ATOM 1047 CA HIS A 69 69.135 -2.797 21.078 1.00 0.00 C ATOM 1048 C HIS A 69 69.922 -3.827 21.884 1.00 0.00 C ATOM 1049 O HIS A 69 70.927 -4.356 21.410 1.00 0.00 O ATOM 1050 CB HIS A 69 68.485 -3.504 19.890 1.00 0.00 C ATOM 1051 CG HIS A 69 67.635 -4.646 20.375 1.00 0.00 C ATOM 1052 ND1 HIS A 69 66.390 -4.453 20.951 1.00 0.00 N ATOM 1053 CD2 HIS A 69 67.837 -6.005 20.360 1.00 0.00 C ATOM 1054 CE1 HIS A 69 65.895 -5.666 21.259 1.00 0.00 C ATOM 1055 NE2 HIS A 69 66.738 -6.646 20.919 1.00 0.00 N ATOM 0 H HIS A 69 70.114 -1.714 19.566 1.00 0.00 H new ATOM 0 HA HIS A 69 68.377 -2.341 21.715 1.00 0.00 H new ATOM 0 HB2 HIS A 69 67.874 -2.799 19.326 1.00 0.00 H new ATOM 0 HB3 HIS A 69 69.253 -3.874 19.211 1.00 0.00 H new ATOM 0 HD2 HIS A 69 68.716 -6.499 19.973 1.00 0.00 H new ATOM 0 HE1 HIS A 69 64.934 -5.828 21.724 1.00 0.00 H new ATOM 0 HE2 HIS A 69 66.603 -7.649 21.043 1.00 0.00 H new ATOM 1063 N HIS A 70 69.451 -4.115 23.097 1.00 0.00 N ATOM 1064 CA HIS A 70 70.116 -5.092 23.955 1.00 0.00 C ATOM 1065 C HIS A 70 69.889 -6.504 23.421 1.00 0.00 C ATOM 1066 O HIS A 70 68.778 -6.854 23.023 1.00 0.00 O ATOM 1067 CB HIS A 70 69.571 -4.996 25.381 1.00 0.00 C ATOM 1068 CG HIS A 70 69.915 -3.653 25.962 1.00 0.00 C ATOM 1069 ND1 HIS A 70 71.192 -3.344 26.402 1.00 0.00 N ATOM 1070 CD2 HIS A 70 69.161 -2.526 26.179 1.00 0.00 C ATOM 1071 CE1 HIS A 70 71.167 -2.076 26.855 1.00 0.00 C ATOM 1072 NE2 HIS A 70 69.951 -1.534 26.744 1.00 0.00 N ATOM 0 H HIS A 70 68.618 -3.689 23.504 1.00 0.00 H new ATOM 0 HA HIS A 70 71.185 -4.877 23.961 1.00 0.00 H new ATOM 0 HB2 HIS A 70 68.490 -5.136 25.378 1.00 0.00 H new ATOM 0 HB3 HIS A 70 69.994 -5.789 25.997 1.00 0.00 H new ATOM 0 HD2 HIS A 70 68.111 -2.426 25.945 1.00 0.00 H new ATOM 0 HE1 HIS A 70 72.026 -1.560 27.259 1.00 0.00 H new ATOM 0 HE2 HIS A 70 69.665 -0.594 27.016 1.00 0.00 H new