USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=19 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 20 CYS SG : rot 180:sc= 0.772 USER MOD Set 1.2: A 23 CYS SG : rot -157:sc= 1.28 USER MOD Set 1.3: A 26 ASN : amide:sc= -1.81! K(o=1.7!,f=0.84) USER MOD Set 1.4: A 33 THR OG1 : rot -123:sc= 1.43 USER MOD Set 2.1: A 18 HIS : no HD1:sc= -0.0718 K(o=3,f=-8.1!) USER MOD Set 2.2: A 57 CYS SG : rot -137:sc= 1.32 USER MOD Set 2.3: A 60 CYS SG : rot 26:sc= 1.71 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -1.48 K(o=-1.5,f=-2.5) 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= -0.0132 X(o=-0.013,f=-0.13) 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+ 150:sc= 1.25 (180deg=0.207) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.0098) USER MOD Single : A 47 CYS SG : rot 47:sc= 0.242 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 -169:sc= -0.552 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 59 TYR OH : rot 93:sc= 0.235 USER MOD Single : A 62 TYR OH : rot 10:sc= 1.23 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 64 LYS NZ :NH3+ -152:sc= -0.479 (180deg=-1.54) USER MOD Single : A 69 HIS : no HD1:sc= -0.197 K(o=-0.2,f=-0.9) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.088) USER MOD ----------------------------------------------------------------- ATOM 221 N GLY A 16 67.939 0.035 22.295 1.00 0.00 N ATOM 222 CA GLY A 16 67.600 1.247 21.566 1.00 0.00 C ATOM 223 C GLY A 16 66.403 1.018 20.662 1.00 0.00 C ATOM 224 O GLY A 16 66.027 1.910 19.904 1.00 0.00 O ATOM 0 HA2 GLY A 16 67.381 2.050 22.270 1.00 0.00 H new ATOM 0 HA3 GLY A 16 68.454 1.569 20.970 1.00 0.00 H new ATOM 228 N LYS A 17 65.815 -0.183 20.761 1.00 0.00 N ATOM 229 CA LYS A 17 64.647 -0.561 19.956 1.00 0.00 C ATOM 230 C LYS A 17 64.902 -0.296 18.486 1.00 0.00 C ATOM 231 O LYS A 17 64.483 0.713 17.937 1.00 0.00 O ATOM 232 CB LYS A 17 63.379 0.187 20.415 1.00 0.00 C ATOM 233 CG LYS A 17 63.088 -0.092 21.916 1.00 0.00 C ATOM 234 CD LYS A 17 63.345 1.173 22.774 1.00 0.00 C ATOM 235 CE LYS A 17 63.090 0.900 24.267 1.00 0.00 C ATOM 236 NZ LYS A 17 63.362 2.151 25.029 1.00 0.00 N ATOM 0 H LYS A 17 66.134 -0.914 21.397 1.00 0.00 H new ATOM 0 HA LYS A 17 64.482 -1.629 20.100 1.00 0.00 H new ATOM 0 HB2 LYS A 17 63.506 1.258 20.257 1.00 0.00 H new ATOM 0 HB3 LYS A 17 62.528 -0.126 19.810 1.00 0.00 H new ATOM 0 HG2 LYS A 17 62.054 -0.414 22.036 1.00 0.00 H new ATOM 0 HG3 LYS A 17 63.719 -0.909 22.267 1.00 0.00 H new ATOM 0 HD2 LYS A 17 64.373 1.507 22.634 1.00 0.00 H new ATOM 0 HD3 LYS A 17 62.698 1.982 22.435 1.00 0.00 H new ATOM 0 HE2 LYS A 17 62.060 0.578 24.423 1.00 0.00 H new ATOM 0 HE3 LYS A 17 63.733 0.094 24.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 63.194 1.984 26.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 64.351 2.437 24.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 62.731 2.906 24.693 1.00 0.00 H new ATOM 250 N HIS A 18 65.633 -1.220 17.887 1.00 0.00 N ATOM 251 CA HIS A 18 66.025 -1.141 16.457 1.00 0.00 C ATOM 252 C HIS A 18 64.849 -0.750 15.540 1.00 0.00 C ATOM 253 O HIS A 18 65.068 -0.156 14.488 1.00 0.00 O ATOM 254 CB HIS A 18 66.570 -2.505 15.982 1.00 0.00 C ATOM 255 CG HIS A 18 67.757 -2.369 15.025 1.00 0.00 C ATOM 256 ND1 HIS A 18 68.766 -3.306 15.011 1.00 0.00 N ATOM 257 CD2 HIS A 18 68.101 -1.424 14.099 1.00 0.00 C ATOM 258 CE1 HIS A 18 69.671 -2.900 14.105 1.00 0.00 C ATOM 259 NE2 HIS A 18 69.311 -1.745 13.512 1.00 0.00 N ATOM 0 H HIS A 18 65.980 -2.053 18.363 1.00 0.00 H new ATOM 0 HA HIS A 18 66.789 -0.366 16.388 1.00 0.00 H new ATOM 0 HB2 HIS A 18 66.874 -3.092 16.849 1.00 0.00 H new ATOM 0 HB3 HIS A 18 65.772 -3.058 15.487 1.00 0.00 H new ATOM 0 HD2 HIS A 18 67.512 -0.551 13.860 1.00 0.00 H new ATOM 0 HE1 HIS A 18 70.581 -3.437 13.879 1.00 0.00 H new ATOM 0 HE2 HIS A 18 69.816 -1.226 12.794 1.00 0.00 H new ATOM 266 N ILE A 19 63.616 -1.057 15.978 1.00 0.00 N ATOM 267 CA ILE A 19 62.395 -0.728 15.225 1.00 0.00 C ATOM 268 C ILE A 19 61.698 0.457 15.887 1.00 0.00 C ATOM 269 O ILE A 19 61.165 0.331 16.991 1.00 0.00 O ATOM 270 CB ILE A 19 61.438 -1.956 15.183 1.00 0.00 C ATOM 271 CG1 ILE A 19 62.051 -3.075 14.296 1.00 0.00 C ATOM 272 CG2 ILE A 19 60.044 -1.566 14.604 1.00 0.00 C ATOM 273 CD1 ILE A 19 61.565 -4.465 14.747 1.00 0.00 C ATOM 0 H ILE A 19 63.439 -1.538 16.860 1.00 0.00 H new ATOM 0 HA ILE A 19 62.664 -0.466 14.202 1.00 0.00 H new ATOM 0 HB ILE A 19 61.310 -2.312 16.205 1.00 0.00 H new ATOM 0 HG12 ILE A 19 61.776 -2.910 13.254 1.00 0.00 H new ATOM 0 HG13 ILE A 19 63.139 -3.031 14.349 1.00 0.00 H new ATOM 0 HG21 ILE A 19 59.398 -2.444 14.587 1.00 0.00 H new ATOM 0 HG22 ILE A 19 59.593 -0.796 15.229 1.00 0.00 H new ATOM 0 HG23 ILE A 19 60.165 -1.185 13.590 1.00 0.00 H new ATOM 0 HD11 ILE A 19 62.009 -5.230 14.110 1.00 0.00 H new ATOM 0 HD12 ILE A 19 61.863 -4.637 15.781 1.00 0.00 H new ATOM 0 HD13 ILE A 19 60.479 -4.514 14.669 1.00 0.00 H new ATOM 285 N CYS A 20 61.677 1.591 15.190 1.00 0.00 N ATOM 286 CA CYS A 20 61.005 2.778 15.713 1.00 0.00 C ATOM 287 C CYS A 20 59.492 2.538 15.656 1.00 0.00 C ATOM 288 O CYS A 20 59.023 1.776 14.818 1.00 0.00 O ATOM 289 CB CYS A 20 61.406 4.011 14.887 1.00 0.00 C ATOM 290 SG CYS A 20 60.457 5.450 15.431 1.00 0.00 S ATOM 0 H CYS A 20 62.111 1.713 14.275 1.00 0.00 H new ATOM 0 HA CYS A 20 61.300 2.963 16.746 1.00 0.00 H new ATOM 0 HB2 CYS A 20 62.473 4.204 15.000 1.00 0.00 H new ATOM 0 HB3 CYS A 20 61.226 3.825 13.828 1.00 0.00 H new ATOM 0 HG CYS A 20 60.803 6.488 14.730 1.00 0.00 H new ATOM 295 N ALA A 21 58.737 3.168 16.556 1.00 0.00 N ATOM 296 CA ALA A 21 57.283 2.990 16.597 1.00 0.00 C ATOM 297 C ALA A 21 56.597 3.793 15.497 1.00 0.00 C ATOM 298 O ALA A 21 55.417 3.572 15.214 1.00 0.00 O ATOM 299 CB ALA A 21 56.752 3.457 17.952 1.00 0.00 C ATOM 0 H ALA A 21 59.105 3.804 17.264 1.00 0.00 H new ATOM 0 HA ALA A 21 57.067 1.933 16.445 1.00 0.00 H new ATOM 0 HB1 ALA A 21 55.670 3.325 17.984 1.00 0.00 H new ATOM 0 HB2 ALA A 21 57.213 2.869 18.746 1.00 0.00 H new ATOM 0 HB3 ALA A 21 56.993 4.510 18.094 1.00 0.00 H new ATOM 305 N ILE A 22 57.359 4.733 14.918 1.00 0.00 N ATOM 306 CA ILE A 22 56.882 5.638 13.855 1.00 0.00 C ATOM 307 C ILE A 22 57.630 5.351 12.546 1.00 0.00 C ATOM 308 O ILE A 22 57.080 4.742 11.629 1.00 0.00 O ATOM 309 CB ILE A 22 57.107 7.116 14.308 1.00 0.00 C ATOM 310 CG1 ILE A 22 56.147 7.465 15.481 1.00 0.00 C ATOM 311 CG2 ILE A 22 56.844 8.122 13.150 1.00 0.00 C ATOM 312 CD1 ILE A 22 56.755 8.549 16.393 1.00 0.00 C ATOM 0 H ILE A 22 58.333 4.890 15.175 1.00 0.00 H new ATOM 0 HA ILE A 22 55.819 5.476 13.679 1.00 0.00 H new ATOM 0 HB ILE A 22 58.148 7.200 14.621 1.00 0.00 H new ATOM 0 HG12 ILE A 22 55.194 7.813 15.083 1.00 0.00 H new ATOM 0 HG13 ILE A 22 55.941 6.568 16.065 1.00 0.00 H new ATOM 0 HG21 ILE A 22 57.011 9.139 13.506 1.00 0.00 H new ATOM 0 HG22 ILE A 22 57.522 7.911 12.323 1.00 0.00 H new ATOM 0 HG23 ILE A 22 55.814 8.022 12.808 1.00 0.00 H new ATOM 0 HD11 ILE A 22 56.062 8.773 17.204 1.00 0.00 H new ATOM 0 HD12 ILE A 22 57.696 8.189 16.809 1.00 0.00 H new ATOM 0 HD13 ILE A 22 56.937 9.453 15.812 1.00 0.00 H new ATOM 324 N CYS A 23 58.866 5.848 12.446 1.00 0.00 N ATOM 325 CA CYS A 23 59.678 5.710 11.236 1.00 0.00 C ATOM 326 C CYS A 23 60.003 4.264 10.901 1.00 0.00 C ATOM 327 O CYS A 23 60.546 3.982 9.832 1.00 0.00 O ATOM 328 CB CYS A 23 60.989 6.467 11.418 1.00 0.00 C ATOM 329 SG CYS A 23 60.738 7.922 12.468 1.00 0.00 S ATOM 0 H CYS A 23 59.330 6.356 13.199 1.00 0.00 H new ATOM 0 HA CYS A 23 59.090 6.119 10.414 1.00 0.00 H new ATOM 0 HB2 CYS A 23 61.736 5.811 11.866 1.00 0.00 H new ATOM 0 HB3 CYS A 23 61.377 6.774 10.447 1.00 0.00 H new ATOM 0 HG CYS A 23 61.672 8.795 12.231 1.00 0.00 H new ATOM 334 N GLY A 24 59.663 3.364 11.806 1.00 0.00 N ATOM 335 CA GLY A 24 59.902 1.954 11.602 1.00 0.00 C ATOM 336 C GLY A 24 61.355 1.559 11.832 1.00 0.00 C ATOM 337 O GLY A 24 61.609 0.376 12.006 1.00 0.00 O ATOM 0 H GLY A 24 59.217 3.591 12.695 1.00 0.00 H new ATOM 0 HA2 GLY A 24 59.264 1.382 12.276 1.00 0.00 H new ATOM 0 HA3 GLY A 24 59.614 1.685 10.586 1.00 0.00 H new ATOM 341 N ASN A 25 62.318 2.521 11.805 1.00 0.00 N ATOM 342 CA ASN A 25 63.748 2.143 12.004 1.00 0.00 C ATOM 343 C ASN A 25 64.738 3.319 12.291 1.00 0.00 C ATOM 344 O ASN A 25 65.957 3.118 12.197 1.00 0.00 O ATOM 345 CB ASN A 25 64.216 1.334 10.760 1.00 0.00 C ATOM 346 CG ASN A 25 64.284 -0.152 11.096 1.00 0.00 C ATOM 347 OD1 ASN A 25 65.136 -0.574 11.884 1.00 0.00 O ATOM 348 ND2 ASN A 25 63.445 -0.975 10.537 1.00 0.00 N ATOM 0 H ASN A 25 62.146 3.515 11.656 1.00 0.00 H new ATOM 0 HA ASN A 25 63.778 1.551 12.919 1.00 0.00 H new ATOM 0 HB2 ASN A 25 63.527 1.496 9.931 1.00 0.00 H new ATOM 0 HB3 ASN A 25 65.195 1.686 10.435 1.00 0.00 H new ATOM 0 HD21 ASN A 25 63.490 -1.972 10.749 1.00 0.00 H new ATOM 0 HD22 ASN A 25 62.742 -0.623 9.887 1.00 0.00 H new ATOM 355 N ASN A 26 64.252 4.506 12.701 1.00 0.00 N ATOM 356 CA ASN A 26 65.168 5.651 13.023 1.00 0.00 C ATOM 357 C ASN A 26 65.511 5.709 14.517 1.00 0.00 C ATOM 358 O ASN A 26 66.090 6.688 14.998 1.00 0.00 O ATOM 359 CB ASN A 26 64.563 6.976 12.554 1.00 0.00 C ATOM 360 CG ASN A 26 64.501 6.985 11.025 1.00 0.00 C ATOM 361 OD1 ASN A 26 64.994 7.917 10.391 1.00 0.00 O ATOM 362 ND2 ASN A 26 63.924 5.998 10.393 1.00 0.00 N ATOM 0 H ASN A 26 63.259 4.709 12.819 1.00 0.00 H new ATOM 0 HA ASN A 26 66.100 5.483 12.483 1.00 0.00 H new ATOM 0 HB2 ASN A 26 63.564 7.102 12.972 1.00 0.00 H new ATOM 0 HB3 ASN A 26 65.165 7.812 12.911 1.00 0.00 H new ATOM 0 HD21 ASN A 26 63.882 6.000 9.374 1.00 0.00 H new ATOM 0 HD22 ASN A 26 63.515 5.225 10.919 1.00 0.00 H new ATOM 369 N ALA A 27 65.154 4.641 15.228 1.00 0.00 N ATOM 370 CA ALA A 27 65.400 4.531 16.665 1.00 0.00 C ATOM 371 C ALA A 27 66.778 3.913 16.929 1.00 0.00 C ATOM 372 O ALA A 27 66.907 2.817 17.478 1.00 0.00 O ATOM 373 CB ALA A 27 64.276 3.705 17.289 1.00 0.00 C ATOM 0 H ALA A 27 64.687 3.829 14.825 1.00 0.00 H new ATOM 0 HA ALA A 27 65.406 5.520 17.123 1.00 0.00 H new ATOM 0 HB1 ALA A 27 64.444 3.613 18.362 1.00 0.00 H new ATOM 0 HB2 ALA A 27 63.320 4.199 17.113 1.00 0.00 H new ATOM 0 HB3 ALA A 27 64.260 2.713 16.838 1.00 0.00 H new ATOM 379 N GLU A 28 67.812 4.648 16.529 1.00 0.00 N ATOM 380 CA GLU A 28 69.195 4.200 16.721 1.00 0.00 C ATOM 381 C GLU A 28 70.203 5.323 16.465 1.00 0.00 C ATOM 382 O GLU A 28 71.362 5.202 16.870 1.00 0.00 O ATOM 383 CB GLU A 28 69.534 3.003 15.812 1.00 0.00 C ATOM 384 CG GLU A 28 69.022 3.202 14.379 1.00 0.00 C ATOM 385 CD GLU A 28 69.617 2.131 13.475 1.00 0.00 C ATOM 386 OE1 GLU A 28 69.628 0.980 13.876 1.00 0.00 O ATOM 387 OE2 GLU A 28 69.996 2.469 12.366 1.00 0.00 O ATOM 0 H GLU A 28 67.723 5.555 16.071 1.00 0.00 H new ATOM 0 HA GLU A 28 69.271 3.892 17.764 1.00 0.00 H new ATOM 0 HB2 GLU A 28 70.614 2.857 15.793 1.00 0.00 H new ATOM 0 HB3 GLU A 28 69.097 2.096 16.230 1.00 0.00 H new ATOM 0 HG2 GLU A 28 67.934 3.146 14.359 1.00 0.00 H new ATOM 0 HG3 GLU A 28 69.297 4.193 14.017 1.00 0.00 H new ATOM 394 N ASP A 29 69.757 6.388 15.775 1.00 0.00 N ATOM 395 CA ASP A 29 70.626 7.527 15.438 1.00 0.00 C ATOM 396 C ASP A 29 69.852 8.853 15.458 1.00 0.00 C ATOM 397 O ASP A 29 69.674 9.443 16.524 1.00 0.00 O ATOM 398 CB ASP A 29 71.262 7.294 14.058 1.00 0.00 C ATOM 399 CG ASP A 29 72.284 6.164 14.140 1.00 0.00 C ATOM 400 OD1 ASP A 29 73.331 6.386 14.732 1.00 0.00 O ATOM 401 OD2 ASP A 29 72.019 5.111 13.588 1.00 0.00 O ATOM 0 H ASP A 29 68.798 6.482 15.440 1.00 0.00 H new ATOM 0 HA ASP A 29 71.409 7.598 16.193 1.00 0.00 H new ATOM 0 HB2 ASP A 29 70.490 7.045 13.330 1.00 0.00 H new ATOM 0 HB3 ASP A 29 71.745 8.208 13.712 1.00 0.00 H new ATOM 406 N TYR A 30 69.407 9.317 14.279 1.00 0.00 N ATOM 407 CA TYR A 30 68.674 10.571 14.162 1.00 0.00 C ATOM 408 C TYR A 30 67.213 10.369 14.509 1.00 0.00 C ATOM 409 O TYR A 30 66.714 9.245 14.436 1.00 0.00 O ATOM 410 CB TYR A 30 68.791 11.092 12.731 1.00 0.00 C ATOM 411 CG TYR A 30 70.261 11.432 12.444 1.00 0.00 C ATOM 412 CD1 TYR A 30 70.759 12.695 12.793 1.00 0.00 C ATOM 413 CD2 TYR A 30 71.096 10.489 11.848 1.00 0.00 C ATOM 414 CE1 TYR A 30 72.104 13.004 12.541 1.00 0.00 C ATOM 415 CE2 TYR A 30 72.439 10.795 11.600 1.00 0.00 C ATOM 416 CZ TYR A 30 72.943 12.058 11.944 1.00 0.00 C ATOM 417 OH TYR A 30 74.267 12.362 11.699 1.00 0.00 O ATOM 0 H TYR A 30 69.548 8.833 13.392 1.00 0.00 H new ATOM 0 HA TYR A 30 69.100 11.294 14.857 1.00 0.00 H new ATOM 0 HB2 TYR A 30 68.433 10.341 12.026 1.00 0.00 H new ATOM 0 HB3 TYR A 30 68.167 11.976 12.599 1.00 0.00 H new ATOM 0 HD1 TYR A 30 70.111 13.426 13.253 1.00 0.00 H new ATOM 0 HD2 TYR A 30 70.706 9.519 11.577 1.00 0.00 H new ATOM 0 HE1 TYR A 30 72.493 13.975 12.809 1.00 0.00 H new ATOM 0 HE2 TYR A 30 73.086 10.060 11.145 1.00 0.00 H new ATOM 0 HH TYR A 30 74.707 11.593 11.281 1.00 0.00 H new ATOM 427 N LYS A 31 66.551 11.472 14.891 1.00 0.00 N ATOM 428 CA LYS A 31 65.131 11.465 15.263 1.00 0.00 C ATOM 429 C LYS A 31 64.412 12.594 14.522 1.00 0.00 C ATOM 430 O LYS A 31 63.479 13.203 15.046 1.00 0.00 O ATOM 431 CB LYS A 31 64.966 11.645 16.796 1.00 0.00 C ATOM 432 CG LYS A 31 65.652 10.489 17.577 1.00 0.00 C ATOM 433 CD LYS A 31 65.438 10.654 19.108 1.00 0.00 C ATOM 434 CE LYS A 31 66.136 9.519 19.886 1.00 0.00 C ATOM 435 NZ LYS A 31 65.901 9.713 21.345 1.00 0.00 N ATOM 0 H LYS A 31 66.986 12.393 14.950 1.00 0.00 H new ATOM 0 HA LYS A 31 64.694 10.506 14.984 1.00 0.00 H new ATOM 0 HB2 LYS A 31 65.397 12.599 17.101 1.00 0.00 H new ATOM 0 HB3 LYS A 31 63.906 11.679 17.048 1.00 0.00 H new ATOM 0 HG2 LYS A 31 65.246 9.532 17.250 1.00 0.00 H new ATOM 0 HG3 LYS A 31 66.719 10.476 17.354 1.00 0.00 H new ATOM 0 HD2 LYS A 31 65.830 11.618 19.432 1.00 0.00 H new ATOM 0 HD3 LYS A 31 64.371 10.652 19.333 1.00 0.00 H new ATOM 0 HE2 LYS A 31 65.748 8.551 19.568 1.00 0.00 H new ATOM 0 HE3 LYS A 31 67.205 9.520 19.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 66.369 8.951 21.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 66.291 10.631 21.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 64.879 9.693 21.538 1.00 0.00 H new ATOM 449 N HIS A 32 64.861 12.867 13.291 1.00 0.00 N ATOM 450 CA HIS A 32 64.256 13.928 12.469 1.00 0.00 C ATOM 451 C HIS A 32 63.002 13.433 11.757 1.00 0.00 C ATOM 452 O HIS A 32 62.098 14.220 11.470 1.00 0.00 O ATOM 453 CB HIS A 32 65.254 14.443 11.426 1.00 0.00 C ATOM 454 CG HIS A 32 66.441 15.076 12.109 1.00 0.00 C ATOM 455 ND1 HIS A 32 66.301 16.043 13.090 1.00 0.00 N ATOM 456 CD2 HIS A 32 67.792 14.883 11.960 1.00 0.00 C ATOM 457 CE1 HIS A 32 67.536 16.393 13.494 1.00 0.00 C ATOM 458 NE2 HIS A 32 68.482 15.720 12.837 1.00 0.00 N ATOM 0 H HIS A 32 65.634 12.374 12.843 1.00 0.00 H new ATOM 0 HA HIS A 32 63.982 14.740 13.143 1.00 0.00 H new ATOM 0 HB2 HIS A 32 65.586 13.621 10.792 1.00 0.00 H new ATOM 0 HB3 HIS A 32 64.769 15.171 10.776 1.00 0.00 H new ATOM 0 HD2 HIS A 32 68.250 14.190 11.270 1.00 0.00 H new ATOM 0 HE1 HIS A 32 67.737 17.130 14.258 1.00 0.00 H new ATOM 0 HE2 HIS A 32 69.492 15.800 12.951 1.00 0.00 H new ATOM 466 N THR A 33 62.959 12.135 11.467 1.00 0.00 N ATOM 467 CA THR A 33 61.818 11.538 10.774 1.00 0.00 C ATOM 468 C THR A 33 60.660 11.309 11.735 1.00 0.00 C ATOM 469 O THR A 33 59.535 11.052 11.313 1.00 0.00 O ATOM 470 CB THR A 33 62.232 10.196 10.168 1.00 0.00 C ATOM 471 OG1 THR A 33 62.974 9.471 11.133 1.00 0.00 O ATOM 472 CG2 THR A 33 63.088 10.414 8.914 1.00 0.00 C ATOM 0 H THR A 33 63.701 11.475 11.701 1.00 0.00 H new ATOM 0 HA THR A 33 61.497 12.223 9.990 1.00 0.00 H new ATOM 0 HB THR A 33 61.340 9.638 9.882 1.00 0.00 H new ATOM 0 HG1 THR A 33 63.855 9.246 10.767 1.00 0.00 H new ATOM 0 HG21 THR A 33 63.374 9.449 8.496 1.00 0.00 H new ATOM 0 HG22 THR A 33 62.515 10.974 8.175 1.00 0.00 H new ATOM 0 HG23 THR A 33 63.985 10.974 9.178 1.00 0.00 H new ATOM 480 N ASP A 34 60.938 11.394 13.028 1.00 0.00 N ATOM 481 CA ASP A 34 59.894 11.184 14.028 1.00 0.00 C ATOM 482 C ASP A 34 58.827 12.263 13.908 1.00 0.00 C ATOM 483 O ASP A 34 57.631 11.983 13.998 1.00 0.00 O ATOM 484 CB ASP A 34 60.493 11.205 15.438 1.00 0.00 C ATOM 485 CG ASP A 34 61.153 9.864 15.755 1.00 0.00 C ATOM 486 OD1 ASP A 34 60.446 8.877 15.831 1.00 0.00 O ATOM 487 OD2 ASP A 34 62.362 9.839 15.895 1.00 0.00 O ATOM 0 H ASP A 34 61.861 11.603 13.408 1.00 0.00 H new ATOM 0 HA ASP A 34 59.439 10.209 13.851 1.00 0.00 H new ATOM 0 HB2 ASP A 34 61.227 12.007 15.516 1.00 0.00 H new ATOM 0 HB3 ASP A 34 59.712 11.415 16.169 1.00 0.00 H new ATOM 492 N MET A 35 59.269 13.497 13.708 1.00 0.00 N ATOM 493 CA MET A 35 58.342 14.618 13.580 1.00 0.00 C ATOM 494 C MET A 35 57.512 14.492 12.305 1.00 0.00 C ATOM 495 O MET A 35 56.304 14.738 12.323 1.00 0.00 O ATOM 496 CB MET A 35 59.116 15.945 13.558 1.00 0.00 C ATOM 497 CG MET A 35 59.613 16.301 14.969 1.00 0.00 C ATOM 498 SD MET A 35 60.837 17.641 14.860 1.00 0.00 S ATOM 499 CE MET A 35 59.734 19.063 15.097 1.00 0.00 C ATOM 0 H MET A 35 60.255 13.748 13.631 1.00 0.00 H new ATOM 0 HA MET A 35 57.671 14.603 14.439 1.00 0.00 H new ATOM 0 HB2 MET A 35 59.963 15.868 12.876 1.00 0.00 H new ATOM 0 HB3 MET A 35 58.474 16.741 13.180 1.00 0.00 H new ATOM 0 HG2 MET A 35 58.775 16.609 15.594 1.00 0.00 H new ATOM 0 HG3 MET A 35 60.058 15.425 15.441 1.00 0.00 H new ATOM 0 HE1 MET A 35 60.315 19.984 15.060 1.00 0.00 H new ATOM 0 HE2 MET A 35 58.983 19.076 14.307 1.00 0.00 H new ATOM 0 HE3 MET A 35 59.241 18.983 16.066 1.00 0.00 H new ATOM 509 N ASP A 36 58.180 14.110 11.208 1.00 0.00 N ATOM 510 CA ASP A 36 57.521 13.951 9.905 1.00 0.00 C ATOM 511 C ASP A 36 56.937 12.551 9.763 1.00 0.00 C ATOM 512 O ASP A 36 57.661 11.587 9.521 1.00 0.00 O ATOM 513 CB ASP A 36 58.542 14.188 8.784 1.00 0.00 C ATOM 514 CG ASP A 36 59.014 15.642 8.792 1.00 0.00 C ATOM 515 OD1 ASP A 36 58.176 16.520 8.671 1.00 0.00 O ATOM 516 OD2 ASP A 36 60.211 15.857 8.923 1.00 0.00 O ATOM 0 H ASP A 36 59.179 13.905 11.198 1.00 0.00 H new ATOM 0 HA ASP A 36 56.712 14.678 9.835 1.00 0.00 H new ATOM 0 HB2 ASP A 36 59.395 13.521 8.913 1.00 0.00 H new ATOM 0 HB3 ASP A 36 58.094 13.950 7.819 1.00 0.00 H new ATOM 521 N LEU A 37 55.616 12.458 9.903 1.00 0.00 N ATOM 522 CA LEU A 37 54.919 11.178 9.785 1.00 0.00 C ATOM 523 C LEU A 37 54.841 10.777 8.316 1.00 0.00 C ATOM 524 O LEU A 37 54.716 11.633 7.439 1.00 0.00 O ATOM 525 CB LEU A 37 53.484 11.277 10.352 1.00 0.00 C ATOM 526 CG LEU A 37 53.433 11.955 11.762 1.00 0.00 C ATOM 527 CD1 LEU A 37 52.006 11.901 12.337 1.00 0.00 C ATOM 528 CD2 LEU A 37 54.373 11.280 12.780 1.00 0.00 C ATOM 0 H LEU A 37 55.007 13.253 10.098 1.00 0.00 H new ATOM 0 HA LEU A 37 55.473 10.432 10.354 1.00 0.00 H new ATOM 0 HB2 LEU A 37 52.863 11.844 9.659 1.00 0.00 H new ATOM 0 HB3 LEU A 37 53.055 10.277 10.419 1.00 0.00 H new ATOM 0 HG LEU A 37 53.756 12.985 11.611 1.00 0.00 H new ATOM 0 HD11 LEU A 37 51.991 12.377 13.317 1.00 0.00 H new ATOM 0 HD12 LEU A 37 51.324 12.426 11.668 1.00 0.00 H new ATOM 0 HD13 LEU A 37 51.692 10.862 12.433 1.00 0.00 H new ATOM 0 HD21 LEU A 37 54.297 11.791 13.740 1.00 0.00 H new ATOM 0 HD22 LEU A 37 54.088 10.235 12.901 1.00 0.00 H new ATOM 0 HD23 LEU A 37 55.400 11.336 12.420 1.00 0.00 H new ATOM 540 N THR A 38 54.925 9.469 8.070 1.00 0.00 N ATOM 541 CA THR A 38 54.868 8.923 6.705 1.00 0.00 C ATOM 542 C THR A 38 54.449 7.454 6.718 1.00 0.00 C ATOM 543 O THR A 38 54.689 6.743 7.696 1.00 0.00 O ATOM 544 CB THR A 38 56.233 9.070 5.995 1.00 0.00 C ATOM 545 OG1 THR A 38 56.082 8.696 4.634 1.00 0.00 O ATOM 546 CG2 THR A 38 57.310 8.177 6.641 1.00 0.00 C ATOM 0 H THR A 38 55.033 8.763 8.798 1.00 0.00 H new ATOM 0 HA THR A 38 54.121 9.495 6.155 1.00 0.00 H new ATOM 0 HB THR A 38 56.554 10.108 6.084 1.00 0.00 H new ATOM 0 HG1 THR A 38 56.942 8.787 4.172 1.00 0.00 H new ATOM 0 HG21 THR A 38 58.255 8.308 6.114 1.00 0.00 H new ATOM 0 HG22 THR A 38 57.436 8.457 7.687 1.00 0.00 H new ATOM 0 HG23 THR A 38 57.002 7.133 6.579 1.00 0.00 H new ATOM 554 N TYR A 39 53.835 7.013 5.616 1.00 0.00 N ATOM 555 CA TYR A 39 53.390 5.624 5.482 1.00 0.00 C ATOM 556 C TYR A 39 54.573 4.722 5.145 1.00 0.00 C ATOM 557 O TYR A 39 55.446 5.098 4.364 1.00 0.00 O ATOM 558 CB TYR A 39 52.344 5.515 4.368 1.00 0.00 C ATOM 559 CG TYR A 39 51.086 6.301 4.760 1.00 0.00 C ATOM 560 CD1 TYR A 39 50.981 7.661 4.434 1.00 0.00 C ATOM 561 CD2 TYR A 39 50.038 5.663 5.434 1.00 0.00 C ATOM 562 CE1 TYR A 39 49.835 8.374 4.786 1.00 0.00 C ATOM 563 CE2 TYR A 39 48.891 6.380 5.782 1.00 0.00 C ATOM 564 CZ TYR A 39 48.787 7.736 5.459 1.00 0.00 C ATOM 565 OH TYR A 39 47.654 8.445 5.803 1.00 0.00 O ATOM 0 H TYR A 39 53.635 7.598 4.805 1.00 0.00 H new ATOM 0 HA TYR A 39 52.952 5.308 6.429 1.00 0.00 H new ATOM 0 HB2 TYR A 39 52.751 5.904 3.435 1.00 0.00 H new ATOM 0 HB3 TYR A 39 52.091 4.469 4.194 1.00 0.00 H new ATOM 0 HD1 TYR A 39 51.786 8.156 3.911 1.00 0.00 H new ATOM 0 HD2 TYR A 39 50.116 4.616 5.685 1.00 0.00 H new ATOM 0 HE1 TYR A 39 49.756 9.422 4.538 1.00 0.00 H new ATOM 0 HE2 TYR A 39 48.083 5.886 6.301 1.00 0.00 H new ATOM 0 HH TYR A 39 47.024 7.852 6.264 1.00 0.00 H new ATOM 575 N THR A 40 54.595 3.532 5.738 1.00 0.00 N ATOM 576 CA THR A 40 55.682 2.586 5.493 1.00 0.00 C ATOM 577 C THR A 40 55.609 2.051 4.064 1.00 0.00 C ATOM 578 O THR A 40 54.526 1.728 3.572 1.00 0.00 O ATOM 579 CB THR A 40 55.602 1.413 6.479 1.00 0.00 C ATOM 580 OG1 THR A 40 54.599 0.504 6.045 1.00 0.00 O ATOM 581 CG2 THR A 40 55.253 1.916 7.887 1.00 0.00 C ATOM 0 H THR A 40 53.880 3.201 6.386 1.00 0.00 H new ATOM 0 HA THR A 40 56.627 3.110 5.633 1.00 0.00 H new ATOM 0 HB THR A 40 56.571 0.915 6.513 1.00 0.00 H new ATOM 0 HG1 THR A 40 54.546 -0.248 6.671 1.00 0.00 H new ATOM 0 HG21 THR A 40 55.201 1.070 8.573 1.00 0.00 H new ATOM 0 HG22 THR A 40 56.021 2.611 8.226 1.00 0.00 H new ATOM 0 HG23 THR A 40 54.289 2.424 7.863 1.00 0.00 H new ATOM 589 N ASP A 41 56.772 1.964 3.413 1.00 0.00 N ATOM 590 CA ASP A 41 56.855 1.470 2.036 1.00 0.00 C ATOM 591 C ASP A 41 56.798 -0.058 2.007 1.00 0.00 C ATOM 592 O ASP A 41 57.829 -0.730 1.997 1.00 0.00 O ATOM 593 CB ASP A 41 58.168 1.944 1.402 1.00 0.00 C ATOM 594 CG ASP A 41 58.183 3.466 1.284 1.00 0.00 C ATOM 595 OD1 ASP A 41 57.300 4.004 0.626 1.00 0.00 O ATOM 596 OD2 ASP A 41 59.066 4.068 1.859 1.00 0.00 O ATOM 0 H ASP A 41 57.670 2.229 3.818 1.00 0.00 H new ATOM 0 HA ASP A 41 56.008 1.862 1.473 1.00 0.00 H new ATOM 0 HB2 ASP A 41 59.012 1.611 2.006 1.00 0.00 H new ATOM 0 HB3 ASP A 41 58.286 1.495 0.416 1.00 0.00 H new ATOM 601 N ARG A 42 55.584 -0.601 1.994 1.00 0.00 N ATOM 602 CA ARG A 42 55.409 -2.050 1.965 1.00 0.00 C ATOM 603 C ARG A 42 55.936 -2.622 0.653 1.00 0.00 C ATOM 604 O ARG A 42 56.595 -3.663 0.641 1.00 0.00 O ATOM 605 CB ARG A 42 53.916 -2.407 2.105 1.00 0.00 C ATOM 606 CG ARG A 42 53.412 -2.116 3.543 1.00 0.00 C ATOM 607 CD ARG A 42 51.891 -2.349 3.656 1.00 0.00 C ATOM 608 NE ARG A 42 51.446 -2.125 5.040 1.00 0.00 N ATOM 609 CZ ARG A 42 51.262 -0.920 5.557 1.00 0.00 C ATOM 610 NH1 ARG A 42 51.491 0.143 4.837 1.00 0.00 N ATOM 611 NH2 ARG A 42 50.847 -0.795 6.787 1.00 0.00 N ATOM 0 H ARG A 42 54.715 -0.066 2.003 1.00 0.00 H new ATOM 0 HA ARG A 42 55.968 -2.478 2.797 1.00 0.00 H new ATOM 0 HB2 ARG A 42 53.331 -1.832 1.387 1.00 0.00 H new ATOM 0 HB3 ARG A 42 53.766 -3.460 1.868 1.00 0.00 H new ATOM 0 HG2 ARG A 42 53.935 -2.758 4.252 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.646 -1.086 3.812 1.00 0.00 H new ATOM 0 HD2 ARG A 42 51.361 -1.676 2.982 1.00 0.00 H new ATOM 0 HD3 ARG A 42 51.647 -3.366 3.348 1.00 0.00 H new ATOM 0 HE ARG A 42 51.271 -2.938 5.631 1.00 0.00 H new ATOM 0 HH11 ARG A 42 51.812 0.047 3.874 1.00 0.00 H new ATOM 0 HH12 ARG A 42 51.349 1.070 5.237 1.00 0.00 H new ATOM 0 HH21 ARG A 42 50.664 -1.625 7.350 1.00 0.00 H new ATOM 0 HH22 ARG A 42 50.705 0.133 7.186 1.00 0.00 H new ATOM 625 N ASP A 43 55.643 -1.934 -0.446 1.00 0.00 N ATOM 626 CA ASP A 43 56.090 -2.376 -1.765 1.00 0.00 C ATOM 627 C ASP A 43 57.595 -2.181 -1.914 1.00 0.00 C ATOM 628 O ASP A 43 58.149 -1.189 -1.439 1.00 0.00 O ATOM 629 CB ASP A 43 55.363 -1.584 -2.856 1.00 0.00 C ATOM 630 CG ASP A 43 53.867 -1.893 -2.832 1.00 0.00 C ATOM 631 OD1 ASP A 43 53.518 -3.052 -3.007 1.00 0.00 O ATOM 632 OD2 ASP A 43 53.100 -0.969 -2.638 1.00 0.00 O ATOM 0 H ASP A 43 55.100 -1.071 -0.451 1.00 0.00 H new ATOM 0 HA ASP A 43 55.859 -3.436 -1.869 1.00 0.00 H new ATOM 0 HB2 ASP A 43 55.523 -0.516 -2.706 1.00 0.00 H new ATOM 0 HB3 ASP A 43 55.777 -1.834 -3.833 1.00 0.00 H new ATOM 637 N TYR A 44 58.248 -3.131 -2.581 1.00 0.00 N ATOM 638 CA TYR A 44 59.690 -3.054 -2.794 1.00 0.00 C ATOM 639 C TYR A 44 60.005 -1.970 -3.819 1.00 0.00 C ATOM 640 O TYR A 44 59.280 -1.828 -4.806 1.00 0.00 O ATOM 641 CB TYR A 44 60.216 -4.400 -3.298 1.00 0.00 C ATOM 642 CG TYR A 44 59.977 -5.476 -2.231 1.00 0.00 C ATOM 643 CD1 TYR A 44 58.769 -6.181 -2.214 1.00 0.00 C ATOM 644 CD2 TYR A 44 60.964 -5.754 -1.276 1.00 0.00 C ATOM 645 CE1 TYR A 44 58.544 -7.170 -1.243 1.00 0.00 C ATOM 646 CE2 TYR A 44 60.739 -6.738 -0.306 1.00 0.00 C ATOM 647 CZ TYR A 44 59.527 -7.447 -0.287 1.00 0.00 C ATOM 648 OH TYR A 44 59.307 -8.417 0.670 1.00 0.00 O ATOM 0 H TYR A 44 57.804 -3.958 -2.981 1.00 0.00 H new ATOM 0 HA TYR A 44 60.174 -2.809 -1.848 1.00 0.00 H new ATOM 0 HB2 TYR A 44 59.713 -4.675 -4.225 1.00 0.00 H new ATOM 0 HB3 TYR A 44 61.280 -4.326 -3.522 1.00 0.00 H new ATOM 0 HD1 TYR A 44 58.008 -5.964 -2.949 1.00 0.00 H new ATOM 0 HD2 TYR A 44 61.897 -5.210 -1.288 1.00 0.00 H new ATOM 0 HE1 TYR A 44 57.613 -7.717 -1.234 1.00 0.00 H new ATOM 0 HE2 TYR A 44 61.500 -6.952 0.430 1.00 0.00 H new ATOM 0 HH TYR A 44 60.091 -8.483 1.255 1.00 0.00 H new ATOM 658 N LYS A 45 61.086 -1.211 -3.555 1.00 0.00 N ATOM 659 CA LYS A 45 61.534 -0.110 -4.429 1.00 0.00 C ATOM 660 C LYS A 45 63.029 -0.241 -4.711 1.00 0.00 C ATOM 661 O LYS A 45 63.782 -0.773 -3.897 1.00 0.00 O ATOM 662 CB LYS A 45 61.272 1.256 -3.757 1.00 0.00 C ATOM 663 CG LYS A 45 59.749 1.517 -3.587 1.00 0.00 C ATOM 664 CD LYS A 45 59.495 2.890 -2.906 1.00 0.00 C ATOM 665 CE LYS A 45 57.983 3.155 -2.742 1.00 0.00 C ATOM 666 NZ LYS A 45 57.789 4.479 -2.088 1.00 0.00 N ATOM 0 H LYS A 45 61.672 -1.344 -2.731 1.00 0.00 H new ATOM 0 HA LYS A 45 60.974 -0.168 -5.362 1.00 0.00 H new ATOM 0 HB2 LYS A 45 61.759 1.284 -2.782 1.00 0.00 H new ATOM 0 HB3 LYS A 45 61.715 2.050 -4.358 1.00 0.00 H new ATOM 0 HG2 LYS A 45 59.261 1.494 -4.561 1.00 0.00 H new ATOM 0 HG3 LYS A 45 59.304 0.722 -2.989 1.00 0.00 H new ATOM 0 HD2 LYS A 45 59.979 2.911 -1.930 1.00 0.00 H new ATOM 0 HD3 LYS A 45 59.944 3.684 -3.502 1.00 0.00 H new ATOM 0 HE2 LYS A 45 57.491 3.140 -3.714 1.00 0.00 H new ATOM 0 HE3 LYS A 45 57.526 2.368 -2.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 56.892 4.897 -2.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 57.764 4.356 -1.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 58.575 5.110 -2.342 1.00 0.00 H new ATOM 680 N ASN A 46 63.446 0.251 -5.876 1.00 0.00 N ATOM 681 CA ASN A 46 64.849 0.187 -6.271 1.00 0.00 C ATOM 682 C ASN A 46 65.699 1.109 -5.399 1.00 0.00 C ATOM 683 O ASN A 46 65.500 2.325 -5.390 1.00 0.00 O ATOM 684 CB ASN A 46 64.988 0.599 -7.739 1.00 0.00 C ATOM 685 CG ASN A 46 66.435 0.447 -8.193 1.00 0.00 C ATOM 686 OD1 ASN A 46 67.008 -0.637 -8.097 1.00 0.00 O ATOM 687 ND2 ASN A 46 67.067 1.480 -8.690 1.00 0.00 N ATOM 0 H ASN A 46 62.834 0.696 -6.560 1.00 0.00 H new ATOM 0 HA ASN A 46 65.200 -0.837 -6.140 1.00 0.00 H new ATOM 0 HB2 ASN A 46 64.338 -0.017 -8.360 1.00 0.00 H new ATOM 0 HB3 ASN A 46 64.666 1.632 -7.866 1.00 0.00 H new ATOM 0 HD21 ASN A 46 68.035 1.386 -8.998 1.00 0.00 H new ATOM 0 HD22 ASN A 46 66.592 2.379 -8.770 1.00 0.00 H new ATOM 694 N CYS A 47 66.640 0.512 -4.666 1.00 0.00 N ATOM 695 CA CYS A 47 67.523 1.272 -3.782 1.00 0.00 C ATOM 696 C CYS A 47 68.735 0.429 -3.387 1.00 0.00 C ATOM 697 O CYS A 47 68.745 -0.787 -3.585 1.00 0.00 O ATOM 698 CB CYS A 47 66.757 1.699 -2.526 1.00 0.00 C ATOM 699 SG CYS A 47 66.289 3.442 -2.668 1.00 0.00 S ATOM 0 H CYS A 47 66.810 -0.494 -4.667 1.00 0.00 H new ATOM 0 HA CYS A 47 67.871 2.159 -4.312 1.00 0.00 H new ATOM 0 HB2 CYS A 47 65.867 1.081 -2.402 1.00 0.00 H new ATOM 0 HB3 CYS A 47 67.375 1.548 -1.641 1.00 0.00 H new ATOM 0 HG CYS A 47 65.784 3.661 -3.846 1.00 0.00 H new ATOM 705 N GLU A 48 69.755 1.085 -2.831 1.00 0.00 N ATOM 706 CA GLU A 48 70.970 0.389 -2.407 1.00 0.00 C ATOM 707 C GLU A 48 70.632 -0.649 -1.340 1.00 0.00 C ATOM 708 O GLU A 48 69.648 -0.498 -0.613 1.00 0.00 O ATOM 709 CB GLU A 48 71.988 1.389 -1.831 1.00 0.00 C ATOM 710 CG GLU A 48 72.533 2.333 -2.929 1.00 0.00 C ATOM 711 CD GLU A 48 73.465 3.385 -2.320 1.00 0.00 C ATOM 712 OE1 GLU A 48 73.727 3.302 -1.131 1.00 0.00 O ATOM 713 OE2 GLU A 48 73.901 4.251 -3.058 1.00 0.00 O ATOM 0 H GLU A 48 69.764 2.091 -2.665 1.00 0.00 H new ATOM 0 HA GLU A 48 71.403 -0.105 -3.276 1.00 0.00 H new ATOM 0 HB2 GLU A 48 71.517 1.977 -1.044 1.00 0.00 H new ATOM 0 HB3 GLU A 48 72.814 0.846 -1.372 1.00 0.00 H new ATOM 0 HG2 GLU A 48 73.070 1.754 -3.680 1.00 0.00 H new ATOM 0 HG3 GLU A 48 71.704 2.825 -3.438 1.00 0.00 H new ATOM 720 N SER A 49 71.445 -1.703 -1.266 1.00 0.00 N ATOM 721 CA SER A 49 71.233 -2.775 -0.297 1.00 0.00 C ATOM 722 C SER A 49 72.509 -3.588 -0.125 1.00 0.00 C ATOM 723 O SER A 49 73.422 -3.490 -0.948 1.00 0.00 O ATOM 724 CB SER A 49 70.104 -3.688 -0.770 1.00 0.00 C ATOM 725 OG SER A 49 70.385 -4.135 -2.091 1.00 0.00 O ATOM 0 H SER A 49 72.258 -1.836 -1.868 1.00 0.00 H new ATOM 0 HA SER A 49 70.961 -2.332 0.661 1.00 0.00 H new ATOM 0 HB2 SER A 49 70.004 -4.541 -0.098 1.00 0.00 H new ATOM 0 HB3 SER A 49 69.155 -3.153 -0.749 1.00 0.00 H new ATOM 0 HG SER A 49 69.663 -4.723 -2.398 1.00 0.00 H new ATOM 731 N TYR A 50 72.551 -4.382 0.951 1.00 0.00 N ATOM 732 CA TYR A 50 73.697 -5.234 1.261 1.00 0.00 C ATOM 733 C TYR A 50 73.225 -6.515 1.940 1.00 0.00 C ATOM 734 O TYR A 50 72.244 -6.515 2.681 1.00 0.00 O ATOM 735 CB TYR A 50 74.670 -4.486 2.179 1.00 0.00 C ATOM 736 CG TYR A 50 75.673 -3.677 1.342 1.00 0.00 C ATOM 737 CD1 TYR A 50 76.798 -4.317 0.808 1.00 0.00 C ATOM 738 CD2 TYR A 50 75.474 -2.307 1.115 1.00 0.00 C ATOM 739 CE1 TYR A 50 77.721 -3.591 0.049 1.00 0.00 C ATOM 740 CE2 TYR A 50 76.399 -1.584 0.353 1.00 0.00 C ATOM 741 CZ TYR A 50 77.524 -2.224 -0.183 1.00 0.00 C ATOM 742 OH TYR A 50 78.436 -1.510 -0.932 1.00 0.00 O ATOM 0 H TYR A 50 71.791 -4.450 1.628 1.00 0.00 H new ATOM 0 HA TYR A 50 74.209 -5.491 0.334 1.00 0.00 H new ATOM 0 HB2 TYR A 50 74.117 -3.820 2.841 1.00 0.00 H new ATOM 0 HB3 TYR A 50 75.202 -5.196 2.812 1.00 0.00 H new ATOM 0 HD1 TYR A 50 76.953 -5.372 0.982 1.00 0.00 H new ATOM 0 HD2 TYR A 50 74.608 -1.811 1.528 1.00 0.00 H new ATOM 0 HE1 TYR A 50 78.589 -4.086 -0.360 1.00 0.00 H new ATOM 0 HE2 TYR A 50 76.245 -0.530 0.178 1.00 0.00 H new ATOM 0 HH TYR A 50 78.147 -0.576 -0.996 1.00 0.00 H new ATOM 752 N HIS A 51 73.936 -7.599 1.670 1.00 0.00 N ATOM 753 CA HIS A 51 73.597 -8.894 2.245 1.00 0.00 C ATOM 754 C HIS A 51 73.890 -8.912 3.741 1.00 0.00 C ATOM 755 O HIS A 51 73.261 -9.654 4.495 1.00 0.00 O ATOM 756 CB HIS A 51 74.402 -9.999 1.556 1.00 0.00 C ATOM 757 CG HIS A 51 74.002 -10.081 0.108 1.00 0.00 C ATOM 758 ND1 HIS A 51 72.794 -10.633 -0.298 1.00 0.00 N ATOM 759 CD2 HIS A 51 74.635 -9.681 -1.041 1.00 0.00 C ATOM 760 CE1 HIS A 51 72.740 -10.545 -1.640 1.00 0.00 C ATOM 761 NE2 HIS A 51 73.840 -9.973 -2.142 1.00 0.00 N ATOM 0 H HIS A 51 74.751 -7.609 1.057 1.00 0.00 H new ATOM 0 HA HIS A 51 72.532 -9.068 2.092 1.00 0.00 H new ATOM 0 HB2 HIS A 51 75.469 -9.792 1.639 1.00 0.00 H new ATOM 0 HB3 HIS A 51 74.224 -10.955 2.049 1.00 0.00 H new ATOM 0 HD2 HIS A 51 75.606 -9.210 -1.083 1.00 0.00 H new ATOM 0 HE1 HIS A 51 71.911 -10.893 -2.238 1.00 0.00 H new ATOM 0 HE2 HIS A 51 74.050 -9.790 -3.123 1.00 0.00 H new ATOM 769 N LYS A 52 74.868 -8.114 4.158 1.00 0.00 N ATOM 770 CA LYS A 52 75.257 -8.073 5.565 1.00 0.00 C ATOM 771 C LYS A 52 74.092 -7.601 6.442 1.00 0.00 C ATOM 772 O LYS A 52 73.808 -8.223 7.469 1.00 0.00 O ATOM 773 CB LYS A 52 76.464 -7.131 5.752 1.00 0.00 C ATOM 774 CG LYS A 52 77.754 -7.712 5.115 1.00 0.00 C ATOM 775 CD LYS A 52 78.585 -8.524 6.143 1.00 0.00 C ATOM 776 CE LYS A 52 79.669 -9.343 5.423 1.00 0.00 C ATOM 777 NZ LYS A 52 80.629 -9.878 6.430 1.00 0.00 N ATOM 0 H LYS A 52 75.401 -7.493 3.550 1.00 0.00 H new ATOM 0 HA LYS A 52 75.533 -9.082 5.871 1.00 0.00 H new ATOM 0 HB2 LYS A 52 76.242 -6.163 5.304 1.00 0.00 H new ATOM 0 HB3 LYS A 52 76.630 -6.959 6.816 1.00 0.00 H new ATOM 0 HG2 LYS A 52 77.488 -8.353 4.274 1.00 0.00 H new ATOM 0 HG3 LYS A 52 78.361 -6.899 4.717 1.00 0.00 H new ATOM 0 HD2 LYS A 52 79.048 -7.848 6.862 1.00 0.00 H new ATOM 0 HD3 LYS A 52 77.930 -9.189 6.706 1.00 0.00 H new ATOM 0 HE2 LYS A 52 79.213 -10.162 4.866 1.00 0.00 H new ATOM 0 HE3 LYS A 52 80.193 -8.719 4.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 81.365 -10.433 5.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 81.071 -9.088 6.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 80.122 -10.487 7.104 1.00 0.00 H new ATOM 791 N CYS A 53 73.438 -6.498 6.045 1.00 0.00 N ATOM 792 CA CYS A 53 72.311 -5.944 6.806 1.00 0.00 C ATOM 793 C CYS A 53 71.235 -6.991 7.094 1.00 0.00 C ATOM 794 O CYS A 53 71.145 -8.010 6.407 1.00 0.00 O ATOM 795 CB CYS A 53 71.686 -4.805 6.010 1.00 0.00 C ATOM 796 SG CYS A 53 70.643 -3.797 7.092 1.00 0.00 S ATOM 0 H CYS A 53 73.671 -5.974 5.202 1.00 0.00 H new ATOM 0 HA CYS A 53 72.699 -5.591 7.761 1.00 0.00 H new ATOM 0 HB2 CYS A 53 72.468 -4.188 5.566 1.00 0.00 H new ATOM 0 HB3 CYS A 53 71.092 -5.207 5.189 1.00 0.00 H new ATOM 0 HG CYS A 53 69.937 -2.976 6.372 1.00 0.00 H new ATOM 802 N SER A 54 70.426 -6.705 8.116 1.00 0.00 N ATOM 803 CA SER A 54 69.341 -7.592 8.526 1.00 0.00 C ATOM 804 C SER A 54 68.123 -7.402 7.624 1.00 0.00 C ATOM 805 O SER A 54 67.140 -8.124 7.758 1.00 0.00 O ATOM 806 CB SER A 54 68.970 -7.314 9.981 1.00 0.00 C ATOM 807 OG SER A 54 70.097 -7.574 10.808 1.00 0.00 O ATOM 0 H SER A 54 70.505 -5.857 8.678 1.00 0.00 H new ATOM 0 HA SER A 54 69.677 -8.625 8.434 1.00 0.00 H new ATOM 0 HB2 SER A 54 68.651 -6.278 10.096 1.00 0.00 H new ATOM 0 HB3 SER A 54 68.131 -7.942 10.281 1.00 0.00 H new ATOM 0 HG SER A 54 69.865 -7.395 11.743 1.00 0.00 H new ATOM 813 N ASP A 55 68.223 -6.432 6.703 1.00 0.00 N ATOM 814 CA ASP A 55 67.159 -6.129 5.731 1.00 0.00 C ATOM 815 C ASP A 55 65.902 -5.552 6.387 1.00 0.00 C ATOM 816 O ASP A 55 64.775 -5.994 6.142 1.00 0.00 O ATOM 817 CB ASP A 55 66.827 -7.373 4.920 1.00 0.00 C ATOM 818 CG ASP A 55 66.220 -6.981 3.578 1.00 0.00 C ATOM 819 OD1 ASP A 55 66.965 -6.521 2.725 1.00 0.00 O ATOM 820 OD2 ASP A 55 65.032 -7.168 3.416 1.00 0.00 O ATOM 0 H ASP A 55 69.044 -5.834 6.610 1.00 0.00 H new ATOM 0 HA ASP A 55 67.539 -5.354 5.065 1.00 0.00 H new ATOM 0 HB2 ASP A 55 67.729 -7.963 4.761 1.00 0.00 H new ATOM 0 HB3 ASP A 55 66.129 -8.001 5.473 1.00 0.00 H new ATOM 825 N LEU A 56 66.116 -4.516 7.177 1.00 0.00 N ATOM 826 CA LEU A 56 65.041 -3.801 7.847 1.00 0.00 C ATOM 827 C LEU A 56 65.522 -2.413 8.278 1.00 0.00 C ATOM 828 O LEU A 56 64.795 -1.430 8.114 1.00 0.00 O ATOM 829 CB LEU A 56 64.483 -4.616 9.036 1.00 0.00 C ATOM 830 CG LEU A 56 65.581 -4.977 10.104 1.00 0.00 C ATOM 831 CD1 LEU A 56 65.454 -4.106 11.363 1.00 0.00 C ATOM 832 CD2 LEU A 56 65.460 -6.447 10.542 1.00 0.00 C ATOM 0 H LEU A 56 67.045 -4.144 7.374 1.00 0.00 H new ATOM 0 HA LEU A 56 64.218 -3.668 7.145 1.00 0.00 H new ATOM 0 HB2 LEU A 56 63.688 -4.047 9.518 1.00 0.00 H new ATOM 0 HB3 LEU A 56 64.034 -5.535 8.660 1.00 0.00 H new ATOM 0 HG LEU A 56 66.545 -4.799 9.627 1.00 0.00 H new ATOM 0 HD11 LEU A 56 66.229 -4.384 12.078 1.00 0.00 H new ATOM 0 HD12 LEU A 56 65.570 -3.056 11.093 1.00 0.00 H new ATOM 0 HD13 LEU A 56 64.473 -4.259 11.814 1.00 0.00 H new ATOM 0 HD21 LEU A 56 66.230 -6.671 11.280 1.00 0.00 H new ATOM 0 HD22 LEU A 56 64.477 -6.616 10.981 1.00 0.00 H new ATOM 0 HD23 LEU A 56 65.588 -7.096 9.676 1.00 0.00 H new ATOM 844 N CYS A 57 66.759 -2.359 8.796 1.00 0.00 N ATOM 845 CA CYS A 57 67.391 -1.108 9.238 1.00 0.00 C ATOM 846 C CYS A 57 68.225 -0.535 8.095 1.00 0.00 C ATOM 847 O CYS A 57 69.183 -1.156 7.637 1.00 0.00 O ATOM 848 CB CYS A 57 68.226 -1.393 10.494 1.00 0.00 C ATOM 849 SG CYS A 57 69.320 0.004 10.885 1.00 0.00 S ATOM 0 H CYS A 57 67.349 -3.182 8.920 1.00 0.00 H new ATOM 0 HA CYS A 57 66.644 -0.359 9.500 1.00 0.00 H new ATOM 0 HB2 CYS A 57 67.564 -1.587 11.338 1.00 0.00 H new ATOM 0 HB3 CYS A 57 68.821 -2.293 10.342 1.00 0.00 H new ATOM 0 HG CYS A 57 70.496 -0.444 11.210 1.00 0.00 H new ATOM 854 N GLN A 58 67.815 0.627 7.603 1.00 0.00 N ATOM 855 CA GLN A 58 68.494 1.257 6.472 1.00 0.00 C ATOM 856 C GLN A 58 69.901 1.745 6.816 1.00 0.00 C ATOM 857 O GLN A 58 70.783 1.732 5.963 1.00 0.00 O ATOM 858 CB GLN A 58 67.667 2.435 5.923 1.00 0.00 C ATOM 859 CG GLN A 58 66.963 3.202 7.054 1.00 0.00 C ATOM 860 CD GLN A 58 66.558 4.585 6.560 1.00 0.00 C ATOM 861 OE1 GLN A 58 66.187 4.745 5.400 1.00 0.00 O ATOM 862 NE2 GLN A 58 66.610 5.602 7.377 1.00 0.00 N ATOM 0 H GLN A 58 67.019 1.152 7.966 1.00 0.00 H new ATOM 0 HA GLN A 58 68.590 0.483 5.711 1.00 0.00 H new ATOM 0 HB2 GLN A 58 68.319 3.113 5.372 1.00 0.00 H new ATOM 0 HB3 GLN A 58 66.925 2.063 5.217 1.00 0.00 H new ATOM 0 HG2 GLN A 58 66.083 2.652 7.387 1.00 0.00 H new ATOM 0 HG3 GLN A 58 67.627 3.292 7.914 1.00 0.00 H new ATOM 0 HE21 GLN A 58 66.918 5.467 8.340 1.00 0.00 H new ATOM 0 HE22 GLN A 58 66.342 6.531 7.052 1.00 0.00 H new ATOM 871 N TYR A 59 70.091 2.214 8.043 1.00 0.00 N ATOM 872 CA TYR A 59 71.380 2.752 8.479 1.00 0.00 C ATOM 873 C TYR A 59 72.411 1.660 8.745 1.00 0.00 C ATOM 874 O TYR A 59 73.614 1.904 8.647 1.00 0.00 O ATOM 875 CB TYR A 59 71.176 3.585 9.739 1.00 0.00 C ATOM 876 CG TYR A 59 71.585 5.039 9.471 1.00 0.00 C ATOM 877 CD1 TYR A 59 70.685 5.906 8.842 1.00 0.00 C ATOM 878 CD2 TYR A 59 72.847 5.502 9.853 1.00 0.00 C ATOM 879 CE1 TYR A 59 71.046 7.238 8.601 1.00 0.00 C ATOM 880 CE2 TYR A 59 73.211 6.833 9.608 1.00 0.00 C ATOM 881 CZ TYR A 59 72.309 7.701 8.981 1.00 0.00 C ATOM 882 OH TYR A 59 72.661 9.013 8.743 1.00 0.00 O ATOM 0 H TYR A 59 69.366 2.234 8.760 1.00 0.00 H new ATOM 0 HA TYR A 59 71.770 3.370 7.670 1.00 0.00 H new ATOM 0 HB2 TYR A 59 70.132 3.542 10.049 1.00 0.00 H new ATOM 0 HB3 TYR A 59 71.769 3.175 10.557 1.00 0.00 H new ATOM 0 HD1 TYR A 59 69.711 5.548 8.542 1.00 0.00 H new ATOM 0 HD2 TYR A 59 73.543 4.833 10.338 1.00 0.00 H new ATOM 0 HE1 TYR A 59 70.348 7.908 8.121 1.00 0.00 H new ATOM 0 HE2 TYR A 59 74.187 7.189 9.903 1.00 0.00 H new ATOM 0 HH TYR A 59 72.458 9.555 9.534 1.00 0.00 H new ATOM 892 N CYS A 60 71.943 0.465 9.092 1.00 0.00 N ATOM 893 CA CYS A 60 72.840 -0.642 9.375 1.00 0.00 C ATOM 894 C CYS A 60 73.688 -0.981 8.145 1.00 0.00 C ATOM 895 O CYS A 60 74.787 -1.513 8.265 1.00 0.00 O ATOM 896 CB CYS A 60 72.026 -1.871 9.772 1.00 0.00 C ATOM 897 SG CYS A 60 71.850 -2.023 11.590 1.00 0.00 S ATOM 0 H CYS A 60 70.952 0.242 9.183 1.00 0.00 H new ATOM 0 HA CYS A 60 73.501 -0.350 10.191 1.00 0.00 H new ATOM 0 HB2 CYS A 60 71.038 -1.814 9.316 1.00 0.00 H new ATOM 0 HB3 CYS A 60 72.507 -2.767 9.379 1.00 0.00 H new ATOM 0 HG CYS A 60 71.957 -0.848 12.136 1.00 0.00 H new ATOM 902 N ARG A 61 73.152 -0.689 6.963 1.00 0.00 N ATOM 903 CA ARG A 61 73.841 -0.997 5.698 1.00 0.00 C ATOM 904 C ARG A 61 75.214 -0.329 5.613 1.00 0.00 C ATOM 905 O ARG A 61 76.184 -0.959 5.187 1.00 0.00 O ATOM 906 CB ARG A 61 73.003 -0.473 4.520 1.00 0.00 C ATOM 907 CG ARG A 61 71.725 -1.315 4.333 1.00 0.00 C ATOM 908 CD ARG A 61 70.756 -0.640 3.348 1.00 0.00 C ATOM 909 NE ARG A 61 69.638 -1.541 3.079 1.00 0.00 N ATOM 910 CZ ARG A 61 68.593 -1.172 2.346 1.00 0.00 C ATOM 911 NH1 ARG A 61 68.542 0.033 1.850 1.00 0.00 N ATOM 912 NH2 ARG A 61 67.623 -2.013 2.121 1.00 0.00 N ATOM 0 H ARG A 61 72.244 -0.240 6.847 1.00 0.00 H new ATOM 0 HA ARG A 61 73.967 -2.079 5.657 1.00 0.00 H new ATOM 0 HB2 ARG A 61 72.734 0.569 4.695 1.00 0.00 H new ATOM 0 HB3 ARG A 61 73.597 -0.499 3.606 1.00 0.00 H new ATOM 0 HG2 ARG A 61 71.990 -2.307 3.966 1.00 0.00 H new ATOM 0 HG3 ARG A 61 71.233 -1.453 5.296 1.00 0.00 H new ATOM 0 HD2 ARG A 61 70.390 0.298 3.765 1.00 0.00 H new ATOM 0 HD3 ARG A 61 71.273 -0.396 2.420 1.00 0.00 H new ATOM 0 HE ARG A 61 69.660 -2.484 3.467 1.00 0.00 H new ATOM 0 HH11 ARG A 61 69.303 0.689 2.025 1.00 0.00 H new ATOM 0 HH12 ARG A 61 67.741 0.319 1.287 1.00 0.00 H new ATOM 0 HH21 ARG A 61 67.665 -2.956 2.508 1.00 0.00 H new ATOM 0 HH22 ARG A 61 66.821 -1.728 1.558 1.00 0.00 H new ATOM 926 N TYR A 62 75.270 0.948 5.995 1.00 0.00 N ATOM 927 CA TYR A 62 76.514 1.728 5.935 1.00 0.00 C ATOM 928 C TYR A 62 77.375 1.507 7.168 1.00 0.00 C ATOM 929 O TYR A 62 78.570 1.228 7.046 1.00 0.00 O ATOM 930 CB TYR A 62 76.190 3.222 5.827 1.00 0.00 C ATOM 931 CG TYR A 62 75.309 3.476 4.600 1.00 0.00 C ATOM 932 CD1 TYR A 62 75.899 3.658 3.342 1.00 0.00 C ATOM 933 CD2 TYR A 62 73.912 3.521 4.732 1.00 0.00 C ATOM 934 CE1 TYR A 62 75.097 3.886 2.220 1.00 0.00 C ATOM 935 CE2 TYR A 62 73.113 3.760 3.611 1.00 0.00 C ATOM 936 CZ TYR A 62 73.699 3.939 2.354 1.00 0.00 C ATOM 937 OH TYR A 62 72.907 4.166 1.248 1.00 0.00 O ATOM 0 H TYR A 62 74.468 1.468 6.351 1.00 0.00 H new ATOM 0 HA TYR A 62 77.066 1.392 5.057 1.00 0.00 H new ATOM 0 HB2 TYR A 62 75.679 3.558 6.729 1.00 0.00 H new ATOM 0 HB3 TYR A 62 77.112 3.798 5.749 1.00 0.00 H new ATOM 0 HD1 TYR A 62 76.974 3.622 3.239 1.00 0.00 H new ATOM 0 HD2 TYR A 62 73.455 3.371 5.699 1.00 0.00 H new ATOM 0 HE1 TYR A 62 75.552 4.021 1.250 1.00 0.00 H new ATOM 0 HE2 TYR A 62 72.039 3.807 3.716 1.00 0.00 H new ATOM 0 HH TYR A 62 73.454 4.110 0.437 1.00 0.00 H new ATOM 947 N GLN A 63 76.748 1.663 8.344 1.00 0.00 N ATOM 948 CA GLN A 63 77.419 1.513 9.644 1.00 0.00 C ATOM 949 C GLN A 63 76.554 0.673 10.565 1.00 0.00 C ATOM 950 O GLN A 63 75.477 1.102 10.958 1.00 0.00 O ATOM 951 CB GLN A 63 77.628 2.891 10.308 1.00 0.00 C ATOM 952 CG GLN A 63 78.601 3.773 9.505 1.00 0.00 C ATOM 953 CD GLN A 63 78.747 5.130 10.185 1.00 0.00 C ATOM 954 OE1 GLN A 63 79.019 5.205 11.385 1.00 0.00 O ATOM 955 NE2 GLN A 63 78.587 6.216 9.485 1.00 0.00 N ATOM 0 H GLN A 63 75.758 1.897 8.420 1.00 0.00 H new ATOM 0 HA GLN A 63 78.385 1.035 9.478 1.00 0.00 H new ATOM 0 HB2 GLN A 63 76.668 3.399 10.399 1.00 0.00 H new ATOM 0 HB3 GLN A 63 78.013 2.753 11.318 1.00 0.00 H new ATOM 0 HG2 GLN A 63 79.573 3.286 9.433 1.00 0.00 H new ATOM 0 HG3 GLN A 63 78.233 3.903 8.487 1.00 0.00 H new ATOM 0 HE21 GLN A 63 78.362 6.154 8.492 1.00 0.00 H new ATOM 0 HE22 GLN A 63 78.687 7.129 9.930 1.00 0.00 H new ATOM 964 N LYS A 64 77.037 -0.521 10.898 1.00 0.00 N ATOM 965 CA LYS A 64 76.304 -1.433 11.778 1.00 0.00 C ATOM 966 C LYS A 64 75.976 -0.780 13.113 1.00 0.00 C ATOM 967 O LYS A 64 76.827 -0.128 13.721 1.00 0.00 O ATOM 968 CB LYS A 64 77.131 -2.697 12.060 1.00 0.00 C ATOM 969 CG LYS A 64 77.336 -3.588 10.800 1.00 0.00 C ATOM 970 CD LYS A 64 76.023 -4.263 10.290 1.00 0.00 C ATOM 971 CE LYS A 64 76.345 -5.557 9.534 1.00 0.00 C ATOM 972 NZ LYS A 64 75.121 -6.018 8.819 1.00 0.00 N ATOM 0 H LYS A 64 77.934 -0.882 10.572 1.00 0.00 H new ATOM 0 HA LYS A 64 75.379 -1.691 11.262 1.00 0.00 H new ATOM 0 HB2 LYS A 64 78.105 -2.406 12.454 1.00 0.00 H new ATOM 0 HB3 LYS A 64 76.636 -3.282 12.835 1.00 0.00 H new ATOM 0 HG2 LYS A 64 77.756 -2.979 9.999 1.00 0.00 H new ATOM 0 HG3 LYS A 64 78.068 -4.363 11.029 1.00 0.00 H new ATOM 0 HD2 LYS A 64 75.367 -4.481 11.133 1.00 0.00 H new ATOM 0 HD3 LYS A 64 75.484 -3.577 9.636 1.00 0.00 H new ATOM 0 HE2 LYS A 64 77.154 -5.387 8.824 1.00 0.00 H new ATOM 0 HE3 LYS A 64 76.687 -6.324 10.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 75.150 -7.052 8.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 74.278 -5.749 9.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 75.080 -5.575 7.879 1.00 0.00 H new ATOM 986 N ASP A 65 74.719 -0.991 13.530 1.00 0.00 N ATOM 987 CA ASP A 65 74.177 -0.462 14.787 1.00 0.00 C ATOM 988 C ASP A 65 73.863 -1.605 15.755 1.00 0.00 C ATOM 989 O ASP A 65 73.127 -1.409 16.700 1.00 0.00 O ATOM 990 CB ASP A 65 72.874 0.302 14.506 1.00 0.00 C ATOM 991 CG ASP A 65 72.960 1.034 13.144 1.00 0.00 C ATOM 992 OD1 ASP A 65 73.946 1.735 12.980 1.00 0.00 O ATOM 993 OD2 ASP A 65 72.063 0.922 12.298 1.00 0.00 O ATOM 0 H ASP A 65 74.044 -1.540 12.997 1.00 0.00 H new ATOM 0 HA ASP A 65 74.920 0.201 15.229 1.00 0.00 H new ATOM 0 HB2 ASP A 65 72.033 -0.391 14.501 1.00 0.00 H new ATOM 0 HB3 ASP A 65 72.689 1.023 15.302 1.00 0.00 H new ATOM 998 N LEU A 66 74.395 -2.804 15.502 1.00 0.00 N ATOM 999 CA LEU A 66 74.110 -3.986 16.352 1.00 0.00 C ATOM 1000 C LEU A 66 74.426 -3.788 17.857 1.00 0.00 C ATOM 1001 O LEU A 66 74.155 -4.683 18.662 1.00 0.00 O ATOM 1002 CB LEU A 66 74.917 -5.208 15.832 1.00 0.00 C ATOM 1003 CG LEU A 66 74.313 -5.793 14.520 1.00 0.00 C ATOM 1004 CD1 LEU A 66 75.413 -6.507 13.714 1.00 0.00 C ATOM 1005 CD2 LEU A 66 73.229 -6.852 14.820 1.00 0.00 C ATOM 0 H LEU A 66 75.024 -2.992 14.721 1.00 0.00 H new ATOM 0 HA LEU A 66 73.035 -4.148 16.278 1.00 0.00 H new ATOM 0 HB2 LEU A 66 75.950 -4.910 15.654 1.00 0.00 H new ATOM 0 HB3 LEU A 66 74.936 -5.982 16.599 1.00 0.00 H new ATOM 0 HG LEU A 66 73.881 -4.959 13.967 1.00 0.00 H new ATOM 0 HD11 LEU A 66 74.986 -6.914 12.798 1.00 0.00 H new ATOM 0 HD12 LEU A 66 76.200 -5.796 13.463 1.00 0.00 H new ATOM 0 HD13 LEU A 66 75.833 -7.317 14.310 1.00 0.00 H new ATOM 0 HD21 LEU A 66 72.829 -7.239 13.883 1.00 0.00 H new ATOM 0 HD22 LEU A 66 73.667 -7.669 15.392 1.00 0.00 H new ATOM 0 HD23 LEU A 66 72.424 -6.396 15.397 1.00 0.00 H new ATOM 1017 N ALA A 67 74.972 -2.641 18.253 1.00 0.00 N ATOM 1018 CA ALA A 67 75.276 -2.407 19.656 1.00 0.00 C ATOM 1019 C ALA A 67 74.001 -2.402 20.485 1.00 0.00 C ATOM 1020 O ALA A 67 73.931 -3.033 21.540 1.00 0.00 O ATOM 1021 CB ALA A 67 75.973 -1.062 19.818 1.00 0.00 C ATOM 0 H ALA A 67 75.209 -1.870 17.629 1.00 0.00 H new ATOM 0 HA ALA A 67 75.928 -3.209 20.002 1.00 0.00 H new ATOM 0 HB1 ALA A 67 76.198 -0.893 20.871 1.00 0.00 H new ATOM 0 HB2 ALA A 67 76.900 -1.061 19.244 1.00 0.00 H new ATOM 0 HB3 ALA A 67 75.321 -0.268 19.454 1.00 0.00 H new ATOM 1027 N ILE A 68 73.006 -1.659 20.011 1.00 0.00 N ATOM 1028 CA ILE A 68 71.745 -1.550 20.732 1.00 0.00 C ATOM 1029 C ILE A 68 71.066 -2.926 20.898 1.00 0.00 C ATOM 1030 O ILE A 68 71.349 -3.643 21.857 1.00 0.00 O ATOM 1031 CB ILE A 68 70.796 -0.521 20.051 1.00 0.00 C ATOM 1032 CG1 ILE A 68 70.807 -0.655 18.505 1.00 0.00 C ATOM 1033 CG2 ILE A 68 71.261 0.906 20.383 1.00 0.00 C ATOM 1034 CD1 ILE A 68 69.411 -0.399 17.911 1.00 0.00 C ATOM 0 H ILE A 68 73.048 -1.129 19.140 1.00 0.00 H new ATOM 0 HA ILE A 68 71.968 -1.180 21.733 1.00 0.00 H new ATOM 0 HB ILE A 68 69.792 -0.719 20.426 1.00 0.00 H new ATOM 0 HG12 ILE A 68 71.520 0.053 18.082 1.00 0.00 H new ATOM 0 HG13 ILE A 68 71.145 -1.653 18.227 1.00 0.00 H new ATOM 0 HG21 ILE A 68 70.596 1.626 19.906 1.00 0.00 H new ATOM 0 HG22 ILE A 68 71.240 1.053 21.463 1.00 0.00 H new ATOM 0 HG23 ILE A 68 72.277 1.052 20.016 1.00 0.00 H new ATOM 0 HD11 ILE A 68 69.453 -0.500 16.827 1.00 0.00 H new ATOM 0 HD12 ILE A 68 68.705 -1.124 18.316 1.00 0.00 H new ATOM 0 HD13 ILE A 68 69.085 0.609 18.169 1.00 0.00 H new ATOM 1046 N HIS A 69 70.180 -3.287 19.976 1.00 0.00 N ATOM 1047 CA HIS A 69 69.486 -4.566 20.052 1.00 0.00 C ATOM 1048 C HIS A 69 70.457 -5.727 19.854 1.00 0.00 C ATOM 1049 O HIS A 69 71.155 -5.797 18.840 1.00 0.00 O ATOM 1050 CB HIS A 69 68.404 -4.628 18.976 1.00 0.00 C ATOM 1051 CG HIS A 69 67.847 -6.023 18.903 1.00 0.00 C ATOM 1052 ND1 HIS A 69 66.981 -6.520 19.865 1.00 0.00 N ATOM 1053 CD2 HIS A 69 68.018 -7.034 17.987 1.00 0.00 C ATOM 1054 CE1 HIS A 69 66.671 -7.783 19.510 1.00 0.00 C ATOM 1055 NE2 HIS A 69 67.274 -8.144 18.372 1.00 0.00 N ATOM 0 H HIS A 69 69.927 -2.714 19.171 1.00 0.00 H new ATOM 0 HA HIS A 69 69.035 -4.651 21.041 1.00 0.00 H new ATOM 0 HB2 HIS A 69 67.608 -3.919 19.204 1.00 0.00 H new ATOM 0 HB3 HIS A 69 68.820 -4.340 18.010 1.00 0.00 H new ATOM 0 HD2 HIS A 69 68.636 -6.975 17.103 1.00 0.00 H new ATOM 0 HE1 HIS A 69 66.014 -8.426 20.077 1.00 0.00 H new ATOM 0 HE2 HIS A 69 67.203 -9.040 17.890 1.00 0.00 H new ATOM 1063 N HIS A 70 70.478 -6.634 20.828 1.00 0.00 N ATOM 1064 CA HIS A 70 71.350 -7.806 20.772 1.00 0.00 C ATOM 1065 C HIS A 70 70.773 -8.848 19.818 1.00 0.00 C ATOM 1066 O HIS A 70 69.554 -9.030 19.765 1.00 0.00 O ATOM 1067 CB HIS A 70 71.479 -8.417 22.168 1.00 0.00 C ATOM 1068 CG HIS A 70 72.250 -7.483 23.058 1.00 0.00 C ATOM 1069 ND1 HIS A 70 71.639 -6.441 23.747 1.00 0.00 N ATOM 1070 CD2 HIS A 70 73.579 -7.420 23.389 1.00 0.00 C ATOM 1071 CE1 HIS A 70 72.599 -5.810 24.455 1.00 0.00 C ATOM 1072 NE2 HIS A 70 73.796 -6.367 24.270 1.00 0.00 N ATOM 0 H HIS A 70 69.900 -6.580 21.667 1.00 0.00 H new ATOM 0 HA HIS A 70 72.331 -7.497 20.413 1.00 0.00 H new ATOM 0 HB2 HIS A 70 70.490 -8.602 22.588 1.00 0.00 H new ATOM 0 HB3 HIS A 70 71.986 -9.380 22.109 1.00 0.00 H new ATOM 0 HD2 HIS A 70 74.343 -8.089 23.020 1.00 0.00 H new ATOM 0 HE1 HIS A 70 72.420 -4.958 25.094 1.00 0.00 H new ATOM 0 HE2 HIS A 70 74.682 -6.081 24.686 1.00 0.00 H new