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 18 HIS : no HD1:sc= -0.317 K(o=5.1,f=-6.6!) USER MOD Set 1.2: A 54 SER OG : rot -177:sc= 0.654 USER MOD Set 1.3: A 57 CYS SG : rot -136:sc= 1.61 USER MOD Set 1.4: A 60 CYS SG : rot 18:sc= 3.16 USER MOD Set 2.1: A 49 SER OG : rot 17:sc= -0.714 USER MOD Set 2.2: A 51 HIS : no HD1:sc= -0.315 X(o=-1,f=-1.1) USER MOD Set 3.1: A 20 CYS SG : rot 143:sc= 0.758 USER MOD Set 3.2: A 23 CYS SG : rot 80:sc= 1.4 USER MOD Set 3.3: A 26 ASN : amide:sc= -1.09 K(o=1.5,f=0.45!) USER MOD Set 3.4: A 33 THR OG1 : rot 84:sc= 0.447 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -1.26 X(o=-1.3,f=-1.6) 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 HE2:sc= 0.0925 K(o=0.092,f=-0.72) 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= -0.0263 X(o=-0.026,f=-0.1) USER MOD Single : A 47 CYS SG : rot 62:sc= 0.0267 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 CYS SG : rot 180:sc= -0.46 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 64 LYS NZ :NH3+ -165:sc= -1.29 (180deg=-1.52) USER MOD Single : A 69 HIS : no HD1:sc= -0.292 K(o=-0.29,f=-1.1) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 221 N GLY A 16 62.956 -3.768 21.396 1.00 0.00 N ATOM 222 CA GLY A 16 62.338 -3.135 20.233 1.00 0.00 C ATOM 223 C GLY A 16 63.026 -1.828 19.889 1.00 0.00 C ATOM 224 O GLY A 16 62.424 -0.954 19.260 1.00 0.00 O ATOM 0 HA2 GLY A 16 62.387 -3.811 19.379 1.00 0.00 H new ATOM 0 HA3 GLY A 16 61.282 -2.951 20.434 1.00 0.00 H new ATOM 228 N LYS A 17 64.281 -1.686 20.303 1.00 0.00 N ATOM 229 CA LYS A 17 65.018 -0.475 20.022 1.00 0.00 C ATOM 230 C LYS A 17 65.191 -0.344 18.518 1.00 0.00 C ATOM 231 O LYS A 17 64.867 0.680 17.951 1.00 0.00 O ATOM 232 CB LYS A 17 66.398 -0.545 20.701 1.00 0.00 C ATOM 233 CG LYS A 17 66.242 -0.630 22.242 1.00 0.00 C ATOM 234 CD LYS A 17 67.620 -0.787 22.926 1.00 0.00 C ATOM 235 CE LYS A 17 67.462 -0.896 24.453 1.00 0.00 C ATOM 236 NZ LYS A 17 68.806 -1.050 25.072 1.00 0.00 N ATOM 0 H LYS A 17 64.798 -2.391 20.828 1.00 0.00 H new ATOM 0 HA LYS A 17 64.476 0.389 20.406 1.00 0.00 H new ATOM 0 HB2 LYS A 17 66.945 -1.414 20.337 1.00 0.00 H new ATOM 0 HB3 LYS A 17 66.985 0.335 20.437 1.00 0.00 H new ATOM 0 HG2 LYS A 17 65.748 0.268 22.612 1.00 0.00 H new ATOM 0 HG3 LYS A 17 65.604 -1.475 22.501 1.00 0.00 H new ATOM 0 HD2 LYS A 17 68.122 -1.676 22.543 1.00 0.00 H new ATOM 0 HD3 LYS A 17 68.252 0.067 22.681 1.00 0.00 H new ATOM 0 HE2 LYS A 17 66.968 -0.007 24.844 1.00 0.00 H new ATOM 0 HE3 LYS A 17 66.832 -1.749 24.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 68.706 -1.124 26.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 69.261 -1.911 24.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 69.392 -0.223 24.839 1.00 0.00 H new ATOM 250 N HIS A 18 65.752 -1.385 17.905 1.00 0.00 N ATOM 251 CA HIS A 18 66.031 -1.382 16.460 1.00 0.00 C ATOM 252 C HIS A 18 64.821 -1.000 15.614 1.00 0.00 C ATOM 253 O HIS A 18 64.998 -0.491 14.506 1.00 0.00 O ATOM 254 CB HIS A 18 66.511 -2.773 15.989 1.00 0.00 C ATOM 255 CG HIS A 18 67.723 -2.685 15.071 1.00 0.00 C ATOM 256 ND1 HIS A 18 68.724 -3.635 15.117 1.00 0.00 N ATOM 257 CD2 HIS A 18 68.114 -1.767 14.141 1.00 0.00 C ATOM 258 CE1 HIS A 18 69.664 -3.260 14.236 1.00 0.00 C ATOM 259 NE2 HIS A 18 69.340 -2.116 13.602 1.00 0.00 N ATOM 0 H HIS A 18 66.024 -2.244 18.382 1.00 0.00 H new ATOM 0 HA HIS A 18 66.807 -0.630 16.319 1.00 0.00 H new ATOM 0 HB2 HIS A 18 66.759 -3.383 16.858 1.00 0.00 H new ATOM 0 HB3 HIS A 18 65.698 -3.278 15.467 1.00 0.00 H new ATOM 0 HD2 HIS A 18 67.547 -0.891 13.864 1.00 0.00 H new ATOM 0 HE1 HIS A 18 70.575 -3.811 14.056 1.00 0.00 H new ATOM 0 HE2 HIS A 18 69.875 -1.621 12.889 1.00 0.00 H new ATOM 266 N ILE A 19 63.616 -1.235 16.151 1.00 0.00 N ATOM 267 CA ILE A 19 62.368 -0.915 15.455 1.00 0.00 C ATOM 268 C ILE A 19 61.747 0.337 16.063 1.00 0.00 C ATOM 269 O ILE A 19 61.291 0.325 17.206 1.00 0.00 O ATOM 270 CB ILE A 19 61.355 -2.100 15.580 1.00 0.00 C ATOM 271 CG1 ILE A 19 61.975 -3.471 15.151 1.00 0.00 C ATOM 272 CG2 ILE A 19 60.047 -1.828 14.785 1.00 0.00 C ATOM 273 CD1 ILE A 19 62.647 -3.450 13.760 1.00 0.00 C ATOM 0 H ILE A 19 63.482 -1.649 17.073 1.00 0.00 H new ATOM 0 HA ILE A 19 62.592 -0.744 14.402 1.00 0.00 H new ATOM 0 HB ILE A 19 61.107 -2.169 16.639 1.00 0.00 H new ATOM 0 HG12 ILE A 19 62.712 -3.773 15.895 1.00 0.00 H new ATOM 0 HG13 ILE A 19 61.191 -4.229 15.153 1.00 0.00 H new ATOM 0 HG21 ILE A 19 59.370 -2.675 14.898 1.00 0.00 H new ATOM 0 HG22 ILE A 19 59.568 -0.927 15.169 1.00 0.00 H new ATOM 0 HG23 ILE A 19 60.284 -1.691 13.730 1.00 0.00 H new ATOM 0 HD11 ILE A 19 63.052 -4.437 13.537 1.00 0.00 H new ATOM 0 HD12 ILE A 19 61.910 -3.180 13.004 1.00 0.00 H new ATOM 0 HD13 ILE A 19 63.454 -2.718 13.757 1.00 0.00 H new ATOM 285 N CYS A 20 61.702 1.409 15.277 1.00 0.00 N ATOM 286 CA CYS A 20 61.097 2.656 15.738 1.00 0.00 C ATOM 287 C CYS A 20 59.569 2.512 15.705 1.00 0.00 C ATOM 288 O CYS A 20 59.040 1.751 14.902 1.00 0.00 O ATOM 289 CB CYS A 20 61.554 3.809 14.842 1.00 0.00 C ATOM 290 SG CYS A 20 60.734 5.338 15.341 1.00 0.00 S ATOM 0 H CYS A 20 62.073 1.441 14.327 1.00 0.00 H new ATOM 0 HA CYS A 20 61.410 2.871 16.760 1.00 0.00 H new ATOM 0 HB2 CYS A 20 62.635 3.927 14.910 1.00 0.00 H new ATOM 0 HB3 CYS A 20 61.323 3.585 13.801 1.00 0.00 H new ATOM 0 HG CYS A 20 61.563 6.333 15.227 1.00 0.00 H new ATOM 295 N ALA A 21 58.869 3.225 16.586 1.00 0.00 N ATOM 296 CA ALA A 21 57.405 3.147 16.650 1.00 0.00 C ATOM 297 C ALA A 21 56.756 3.979 15.547 1.00 0.00 C ATOM 298 O ALA A 21 55.550 3.856 15.311 1.00 0.00 O ATOM 299 CB ALA A 21 56.936 3.673 18.003 1.00 0.00 C ATOM 0 H ALA A 21 59.287 3.862 17.264 1.00 0.00 H new ATOM 0 HA ALA A 21 57.112 2.106 16.517 1.00 0.00 H new ATOM 0 HB1 ALA A 21 55.849 3.618 18.058 1.00 0.00 H new ATOM 0 HB2 ALA A 21 57.370 3.068 18.799 1.00 0.00 H new ATOM 0 HB3 ALA A 21 57.253 4.709 18.120 1.00 0.00 H new ATOM 305 N ILE A 22 57.575 4.834 14.918 1.00 0.00 N ATOM 306 CA ILE A 22 57.138 5.753 13.848 1.00 0.00 C ATOM 307 C ILE A 22 57.808 5.375 12.514 1.00 0.00 C ATOM 308 O ILE A 22 57.176 4.792 11.634 1.00 0.00 O ATOM 309 CB ILE A 22 57.502 7.222 14.258 1.00 0.00 C ATOM 310 CG1 ILE A 22 56.630 7.672 15.469 1.00 0.00 C ATOM 311 CG2 ILE A 22 57.262 8.225 13.089 1.00 0.00 C ATOM 312 CD1 ILE A 22 57.368 8.720 16.326 1.00 0.00 C ATOM 0 H ILE A 22 58.568 4.911 15.137 1.00 0.00 H new ATOM 0 HA ILE A 22 56.059 5.676 13.714 1.00 0.00 H new ATOM 0 HB ILE A 22 58.560 7.227 14.520 1.00 0.00 H new ATOM 0 HG12 ILE A 22 55.690 8.089 15.109 1.00 0.00 H new ATOM 0 HG13 ILE A 22 56.380 6.807 16.083 1.00 0.00 H new ATOM 0 HG21 ILE A 22 57.526 9.232 13.413 1.00 0.00 H new ATOM 0 HG22 ILE A 22 57.880 7.945 12.236 1.00 0.00 H new ATOM 0 HG23 ILE A 22 56.212 8.201 12.799 1.00 0.00 H new ATOM 0 HD11 ILE A 22 56.736 9.016 17.163 1.00 0.00 H new ATOM 0 HD12 ILE A 22 58.296 8.292 16.705 1.00 0.00 H new ATOM 0 HD13 ILE A 22 57.595 9.595 15.716 1.00 0.00 H new ATOM 324 N CYS A 23 59.069 5.774 12.359 1.00 0.00 N ATOM 325 CA CYS A 23 59.823 5.557 11.123 1.00 0.00 C ATOM 326 C CYS A 23 60.053 4.085 10.833 1.00 0.00 C ATOM 327 O CYS A 23 60.479 3.731 9.732 1.00 0.00 O ATOM 328 CB CYS A 23 61.176 6.260 11.232 1.00 0.00 C ATOM 329 SG CYS A 23 61.032 7.706 12.310 1.00 0.00 S ATOM 0 H CYS A 23 59.598 6.257 13.086 1.00 0.00 H new ATOM 0 HA CYS A 23 59.233 5.966 10.303 1.00 0.00 H new ATOM 0 HB2 CYS A 23 61.922 5.572 11.629 1.00 0.00 H new ATOM 0 HB3 CYS A 23 61.518 6.565 10.243 1.00 0.00 H new ATOM 0 HG CYS A 23 61.068 7.326 13.553 1.00 0.00 H new ATOM 334 N GLY A 24 59.773 3.244 11.819 1.00 0.00 N ATOM 335 CA GLY A 24 59.943 1.812 11.678 1.00 0.00 C ATOM 336 C GLY A 24 61.387 1.361 11.902 1.00 0.00 C ATOM 337 O GLY A 24 61.597 0.186 12.173 1.00 0.00 O ATOM 0 H GLY A 24 59.424 3.536 12.732 1.00 0.00 H new ATOM 0 HA2 GLY A 24 59.294 1.302 12.389 1.00 0.00 H new ATOM 0 HA3 GLY A 24 59.623 1.509 10.681 1.00 0.00 H new ATOM 341 N ASN A 25 62.387 2.269 11.763 1.00 0.00 N ATOM 342 CA ASN A 25 63.808 1.850 11.938 1.00 0.00 C ATOM 343 C ASN A 25 64.836 3.016 12.103 1.00 0.00 C ATOM 344 O ASN A 25 66.043 2.782 11.964 1.00 0.00 O ATOM 345 CB ASN A 25 64.203 0.937 10.741 1.00 0.00 C ATOM 346 CG ASN A 25 64.247 -0.523 11.188 1.00 0.00 C ATOM 347 OD1 ASN A 25 65.163 -0.922 11.910 1.00 0.00 O ATOM 348 ND2 ASN A 25 63.309 -1.344 10.808 1.00 0.00 N ATOM 0 H ASN A 25 62.250 3.255 11.540 1.00 0.00 H new ATOM 0 HA ASN A 25 63.858 1.315 12.887 1.00 0.00 H new ATOM 0 HB2 ASN A 25 63.484 1.056 9.930 1.00 0.00 H new ATOM 0 HB3 ASN A 25 65.176 1.236 10.351 1.00 0.00 H new ATOM 0 HD21 ASN A 25 63.332 -2.319 11.108 1.00 0.00 H new ATOM 0 HD22 ASN A 25 62.552 -1.012 10.211 1.00 0.00 H new ATOM 355 N ASN A 26 64.390 4.227 12.493 1.00 0.00 N ATOM 356 CA ASN A 26 65.345 5.359 12.733 1.00 0.00 C ATOM 357 C ASN A 26 65.737 5.456 14.211 1.00 0.00 C ATOM 358 O ASN A 26 66.462 6.369 14.612 1.00 0.00 O ATOM 359 CB ASN A 26 64.772 6.694 12.257 1.00 0.00 C ATOM 360 CG ASN A 26 64.643 6.693 10.732 1.00 0.00 C ATOM 361 OD1 ASN A 26 64.031 5.800 10.151 1.00 0.00 O ATOM 362 ND2 ASN A 26 65.185 7.667 10.053 1.00 0.00 N ATOM 0 H ASN A 26 63.408 4.456 12.648 1.00 0.00 H new ATOM 0 HA ASN A 26 66.240 5.143 12.149 1.00 0.00 H new ATOM 0 HB2 ASN A 26 63.797 6.864 12.713 1.00 0.00 H new ATOM 0 HB3 ASN A 26 65.419 7.511 12.575 1.00 0.00 H new ATOM 0 HD21 ASN A 26 65.101 7.689 9.037 1.00 0.00 H new ATOM 0 HD22 ASN A 26 65.692 8.407 10.539 1.00 0.00 H new ATOM 369 N ALA A 27 65.253 4.502 15.004 1.00 0.00 N ATOM 370 CA ALA A 27 65.544 4.461 16.433 1.00 0.00 C ATOM 371 C ALA A 27 66.961 3.925 16.638 1.00 0.00 C ATOM 372 O ALA A 27 67.179 2.865 17.227 1.00 0.00 O ATOM 373 CB ALA A 27 64.496 3.592 17.148 1.00 0.00 C ATOM 0 H ALA A 27 64.654 3.744 14.677 1.00 0.00 H new ATOM 0 HA ALA A 27 65.492 5.462 16.862 1.00 0.00 H new ATOM 0 HB1 ALA A 27 64.715 3.562 18.215 1.00 0.00 H new ATOM 0 HB2 ALA A 27 63.504 4.016 16.993 1.00 0.00 H new ATOM 0 HB3 ALA A 27 64.525 2.580 16.744 1.00 0.00 H new ATOM 379 N GLU A 28 67.932 4.696 16.146 1.00 0.00 N ATOM 380 CA GLU A 28 69.355 4.357 16.261 1.00 0.00 C ATOM 381 C GLU A 28 70.223 5.478 15.668 1.00 0.00 C ATOM 382 O GLU A 28 71.363 5.672 16.094 1.00 0.00 O ATOM 383 CB GLU A 28 69.720 3.030 15.562 1.00 0.00 C ATOM 384 CG GLU A 28 68.990 2.843 14.219 1.00 0.00 C ATOM 385 CD GLU A 28 69.681 1.749 13.414 1.00 0.00 C ATOM 386 OE1 GLU A 28 69.655 0.610 13.853 1.00 0.00 O ATOM 387 OE2 GLU A 28 70.192 2.057 12.352 1.00 0.00 O ATOM 0 H GLU A 28 67.756 5.573 15.656 1.00 0.00 H new ATOM 0 HA GLU A 28 69.551 4.240 17.327 1.00 0.00 H new ATOM 0 HB2 GLU A 28 70.796 2.998 15.393 1.00 0.00 H new ATOM 0 HB3 GLU A 28 69.476 2.198 16.222 1.00 0.00 H new ATOM 0 HG2 GLU A 28 67.947 2.578 14.393 1.00 0.00 H new ATOM 0 HG3 GLU A 28 68.992 3.778 13.659 1.00 0.00 H new ATOM 394 N ASP A 29 69.668 6.188 14.672 1.00 0.00 N ATOM 395 CA ASP A 29 70.375 7.279 13.980 1.00 0.00 C ATOM 396 C ASP A 29 70.214 8.625 14.716 1.00 0.00 C ATOM 397 O ASP A 29 70.130 8.657 15.946 1.00 0.00 O ATOM 398 CB ASP A 29 69.837 7.388 12.546 1.00 0.00 C ATOM 399 CG ASP A 29 69.726 5.999 11.929 1.00 0.00 C ATOM 400 OD1 ASP A 29 70.650 5.222 12.096 1.00 0.00 O ATOM 401 OD2 ASP A 29 68.715 5.733 11.298 1.00 0.00 O ATOM 0 H ASP A 29 68.723 6.024 14.325 1.00 0.00 H new ATOM 0 HA ASP A 29 71.440 7.048 13.965 1.00 0.00 H new ATOM 0 HB2 ASP A 29 68.861 7.873 12.550 1.00 0.00 H new ATOM 0 HB3 ASP A 29 70.500 8.011 11.945 1.00 0.00 H new ATOM 406 N TYR A 30 70.193 9.729 13.949 1.00 0.00 N ATOM 407 CA TYR A 30 70.069 11.078 14.513 1.00 0.00 C ATOM 408 C TYR A 30 68.625 11.408 14.898 1.00 0.00 C ATOM 409 O TYR A 30 68.362 12.498 15.411 1.00 0.00 O ATOM 410 CB TYR A 30 70.556 12.106 13.486 1.00 0.00 C ATOM 411 CG TYR A 30 72.016 11.812 13.121 1.00 0.00 C ATOM 412 CD1 TYR A 30 73.045 12.314 13.926 1.00 0.00 C ATOM 413 CD2 TYR A 30 72.319 11.044 11.993 1.00 0.00 C ATOM 414 CE1 TYR A 30 74.381 12.045 13.602 1.00 0.00 C ATOM 415 CE2 TYR A 30 73.654 10.773 11.670 1.00 0.00 C ATOM 416 CZ TYR A 30 74.685 11.275 12.472 1.00 0.00 C ATOM 417 OH TYR A 30 76.002 11.010 12.152 1.00 0.00 O ATOM 0 H TYR A 30 70.261 9.709 12.931 1.00 0.00 H new ATOM 0 HA TYR A 30 70.678 11.115 15.416 1.00 0.00 H new ATOM 0 HB2 TYR A 30 69.932 12.068 12.593 1.00 0.00 H new ATOM 0 HB3 TYR A 30 70.468 13.113 13.894 1.00 0.00 H new ATOM 0 HD1 TYR A 30 72.809 12.908 14.796 1.00 0.00 H new ATOM 0 HD2 TYR A 30 71.524 10.660 11.371 1.00 0.00 H new ATOM 0 HE1 TYR A 30 75.176 12.431 14.223 1.00 0.00 H new ATOM 0 HE2 TYR A 30 73.888 10.176 10.801 1.00 0.00 H new ATOM 0 HH TYR A 30 76.038 10.462 11.340 1.00 0.00 H new ATOM 427 N LYS A 31 67.705 10.464 14.652 1.00 0.00 N ATOM 428 CA LYS A 31 66.272 10.634 14.974 1.00 0.00 C ATOM 429 C LYS A 31 65.716 11.923 14.352 1.00 0.00 C ATOM 430 O LYS A 31 65.034 12.710 15.016 1.00 0.00 O ATOM 431 CB LYS A 31 66.044 10.614 16.520 1.00 0.00 C ATOM 432 CG LYS A 31 66.438 9.233 17.119 1.00 0.00 C ATOM 433 CD LYS A 31 66.224 9.219 18.659 1.00 0.00 C ATOM 434 CE LYS A 31 66.605 7.854 19.263 1.00 0.00 C ATOM 435 NZ LYS A 31 66.379 7.898 20.734 1.00 0.00 N ATOM 0 H LYS A 31 67.927 9.564 14.227 1.00 0.00 H new ATOM 0 HA LYS A 31 65.728 9.794 14.542 1.00 0.00 H new ATOM 0 HB2 LYS A 31 66.635 11.401 16.989 1.00 0.00 H new ATOM 0 HB3 LYS A 31 64.998 10.826 16.741 1.00 0.00 H new ATOM 0 HG2 LYS A 31 65.841 8.447 16.657 1.00 0.00 H new ATOM 0 HG3 LYS A 31 67.481 9.016 16.890 1.00 0.00 H new ATOM 0 HD2 LYS A 31 66.825 10.003 19.119 1.00 0.00 H new ATOM 0 HD3 LYS A 31 65.181 9.442 18.886 1.00 0.00 H new ATOM 0 HE2 LYS A 31 66.006 7.062 18.813 1.00 0.00 H new ATOM 0 HE3 LYS A 31 67.649 7.625 19.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 66.633 6.980 21.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 66.969 8.645 21.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 65.377 8.100 20.925 1.00 0.00 H new ATOM 449 N HIS A 32 66.019 12.112 13.061 1.00 0.00 N ATOM 450 CA HIS A 32 65.570 13.289 12.307 1.00 0.00 C ATOM 451 C HIS A 32 64.204 13.082 11.655 1.00 0.00 C ATOM 452 O HIS A 32 63.427 14.032 11.536 1.00 0.00 O ATOM 453 CB HIS A 32 66.583 13.614 11.212 1.00 0.00 C ATOM 454 CG HIS A 32 67.570 14.629 11.718 1.00 0.00 C ATOM 455 ND1 HIS A 32 68.284 14.449 12.889 1.00 0.00 N ATOM 456 CD2 HIS A 32 67.967 15.850 11.220 1.00 0.00 C ATOM 457 CE1 HIS A 32 69.065 15.529 13.063 1.00 0.00 C ATOM 458 NE2 HIS A 32 68.913 16.416 12.076 1.00 0.00 N ATOM 0 H HIS A 32 66.578 11.458 12.513 1.00 0.00 H new ATOM 0 HA HIS A 32 65.485 14.109 13.020 1.00 0.00 H new ATOM 0 HB2 HIS A 32 67.104 12.707 10.905 1.00 0.00 H new ATOM 0 HB3 HIS A 32 66.069 14.000 10.331 1.00 0.00 H new ATOM 0 HD1 HIS A 32 68.228 13.641 13.509 1.00 0.00 H new ATOM 0 HD2 HIS A 32 67.603 16.300 10.308 1.00 0.00 H new ATOM 0 HE1 HIS A 32 69.735 15.663 13.900 1.00 0.00 H new ATOM 466 N THR A 33 63.933 11.851 11.216 1.00 0.00 N ATOM 467 CA THR A 33 62.669 11.532 10.548 1.00 0.00 C ATOM 468 C THR A 33 61.556 11.352 11.571 1.00 0.00 C ATOM 469 O THR A 33 60.380 11.254 11.216 1.00 0.00 O ATOM 470 CB THR A 33 62.824 10.240 9.728 1.00 0.00 C ATOM 471 OG1 THR A 33 63.031 9.160 10.617 1.00 0.00 O ATOM 472 CG2 THR A 33 64.023 10.327 8.764 1.00 0.00 C ATOM 0 H THR A 33 64.570 11.060 11.311 1.00 0.00 H new ATOM 0 HA THR A 33 62.410 12.357 9.885 1.00 0.00 H new ATOM 0 HB THR A 33 61.919 10.094 9.139 1.00 0.00 H new ATOM 0 HG1 THR A 33 62.166 8.832 10.940 1.00 0.00 H new ATOM 0 HG21 THR A 33 64.104 9.398 8.200 1.00 0.00 H new ATOM 0 HG22 THR A 33 63.876 11.159 8.075 1.00 0.00 H new ATOM 0 HG23 THR A 33 64.938 10.486 9.335 1.00 0.00 H new ATOM 480 N ASP A 34 61.933 11.308 12.839 1.00 0.00 N ATOM 481 CA ASP A 34 60.960 11.135 13.913 1.00 0.00 C ATOM 482 C ASP A 34 59.993 12.313 13.951 1.00 0.00 C ATOM 483 O ASP A 34 58.844 12.162 14.368 1.00 0.00 O ATOM 484 CB ASP A 34 61.693 11.011 15.253 1.00 0.00 C ATOM 485 CG ASP A 34 62.128 9.565 15.483 1.00 0.00 C ATOM 486 OD1 ASP A 34 61.263 8.727 15.648 1.00 0.00 O ATOM 487 OD2 ASP A 34 63.318 9.320 15.491 1.00 0.00 O ATOM 0 H ASP A 34 62.900 11.389 13.152 1.00 0.00 H new ATOM 0 HA ASP A 34 60.387 10.226 13.730 1.00 0.00 H new ATOM 0 HB2 ASP A 34 62.564 11.666 15.262 1.00 0.00 H new ATOM 0 HB3 ASP A 34 61.041 11.336 16.064 1.00 0.00 H new ATOM 492 N MET A 35 60.471 13.470 13.495 1.00 0.00 N ATOM 493 CA MET A 35 59.653 14.688 13.452 1.00 0.00 C ATOM 494 C MET A 35 58.758 14.669 12.214 1.00 0.00 C ATOM 495 O MET A 35 59.124 14.088 11.190 1.00 0.00 O ATOM 496 CB MET A 35 60.556 15.938 13.411 1.00 0.00 C ATOM 497 CG MET A 35 61.315 16.119 14.746 1.00 0.00 C ATOM 498 SD MET A 35 62.437 17.542 14.628 1.00 0.00 S ATOM 499 CE MET A 35 63.955 16.675 14.139 1.00 0.00 C ATOM 0 H MET A 35 61.423 13.593 13.149 1.00 0.00 H new ATOM 0 HA MET A 35 59.035 14.723 14.349 1.00 0.00 H new ATOM 0 HB2 MET A 35 61.270 15.848 12.592 1.00 0.00 H new ATOM 0 HB3 MET A 35 59.950 16.822 13.210 1.00 0.00 H new ATOM 0 HG2 MET A 35 60.606 16.270 15.560 1.00 0.00 H new ATOM 0 HG3 MET A 35 61.881 15.217 14.979 1.00 0.00 H new ATOM 0 HE1 MET A 35 64.763 17.396 14.018 1.00 0.00 H new ATOM 0 HE2 MET A 35 64.226 15.953 14.909 1.00 0.00 H new ATOM 0 HE3 MET A 35 63.789 16.155 13.196 1.00 0.00 H new ATOM 509 N ASP A 36 57.586 15.299 12.330 1.00 0.00 N ATOM 510 CA ASP A 36 56.622 15.350 11.226 1.00 0.00 C ATOM 511 C ASP A 36 57.011 16.411 10.195 1.00 0.00 C ATOM 512 O ASP A 36 56.914 17.613 10.451 1.00 0.00 O ATOM 513 CB ASP A 36 55.225 15.655 11.781 1.00 0.00 C ATOM 514 CG ASP A 36 54.182 15.524 10.676 1.00 0.00 C ATOM 515 OD1 ASP A 36 53.996 14.421 10.190 1.00 0.00 O ATOM 516 OD2 ASP A 36 53.580 16.532 10.337 1.00 0.00 O ATOM 0 H ASP A 36 57.281 15.781 13.176 1.00 0.00 H new ATOM 0 HA ASP A 36 56.621 14.380 10.728 1.00 0.00 H new ATOM 0 HB2 ASP A 36 54.991 14.970 12.596 1.00 0.00 H new ATOM 0 HB3 ASP A 36 55.202 16.663 12.196 1.00 0.00 H new ATOM 521 N LEU A 37 57.449 15.941 9.027 1.00 0.00 N ATOM 522 CA LEU A 37 57.856 16.826 7.933 1.00 0.00 C ATOM 523 C LEU A 37 56.617 17.367 7.223 1.00 0.00 C ATOM 524 O LEU A 37 55.598 16.683 7.126 1.00 0.00 O ATOM 525 CB LEU A 37 58.723 16.057 6.908 1.00 0.00 C ATOM 526 CG LEU A 37 59.982 15.384 7.567 1.00 0.00 C ATOM 527 CD1 LEU A 37 60.778 14.583 6.522 1.00 0.00 C ATOM 528 CD2 LEU A 37 60.946 16.407 8.213 1.00 0.00 C ATOM 0 H LEU A 37 57.532 14.947 8.813 1.00 0.00 H new ATOM 0 HA LEU A 37 58.438 17.647 8.352 1.00 0.00 H new ATOM 0 HB2 LEU A 37 58.116 15.290 6.426 1.00 0.00 H new ATOM 0 HB3 LEU A 37 59.049 16.743 6.126 1.00 0.00 H new ATOM 0 HG LEU A 37 59.592 14.731 8.348 1.00 0.00 H new ATOM 0 HD11 LEU A 37 61.645 14.125 6.998 1.00 0.00 H new ATOM 0 HD12 LEU A 37 60.143 13.805 6.099 1.00 0.00 H new ATOM 0 HD13 LEU A 37 61.111 15.251 5.728 1.00 0.00 H new ATOM 0 HD21 LEU A 37 61.795 15.881 8.651 1.00 0.00 H new ATOM 0 HD22 LEU A 37 61.302 17.102 7.452 1.00 0.00 H new ATOM 0 HD23 LEU A 37 60.421 16.960 8.992 1.00 0.00 H new ATOM 540 N THR A 38 56.714 18.595 6.725 1.00 0.00 N ATOM 541 CA THR A 38 55.594 19.214 6.020 1.00 0.00 C ATOM 542 C THR A 38 55.257 18.419 4.760 1.00 0.00 C ATOM 543 O THR A 38 54.084 18.155 4.487 1.00 0.00 O ATOM 544 CB THR A 38 55.943 20.674 5.658 1.00 0.00 C ATOM 545 OG1 THR A 38 56.139 21.417 6.853 1.00 0.00 O ATOM 546 CG2 THR A 38 54.842 21.344 4.808 1.00 0.00 C ATOM 0 H THR A 38 57.548 19.178 6.795 1.00 0.00 H new ATOM 0 HA THR A 38 54.721 19.212 6.672 1.00 0.00 H new ATOM 0 HB THR A 38 56.855 20.661 5.061 1.00 0.00 H new ATOM 0 HG1 THR A 38 56.363 22.344 6.629 1.00 0.00 H new ATOM 0 HG21 THR A 38 55.133 22.369 4.579 1.00 0.00 H new ATOM 0 HG22 THR A 38 54.710 20.788 3.880 1.00 0.00 H new ATOM 0 HG23 THR A 38 53.905 21.349 5.365 1.00 0.00 H new ATOM 554 N TYR A 39 56.302 18.048 4.006 1.00 0.00 N ATOM 555 CA TYR A 39 56.144 17.271 2.768 1.00 0.00 C ATOM 556 C TYR A 39 57.391 16.425 2.523 1.00 0.00 C ATOM 557 O TYR A 39 58.462 16.732 3.052 1.00 0.00 O ATOM 558 CB TYR A 39 55.910 18.210 1.573 1.00 0.00 C ATOM 559 CG TYR A 39 57.255 18.693 1.015 1.00 0.00 C ATOM 560 CD1 TYR A 39 57.956 19.700 1.691 1.00 0.00 C ATOM 561 CD2 TYR A 39 57.782 18.148 -0.163 1.00 0.00 C ATOM 562 CE1 TYR A 39 59.179 20.155 1.195 1.00 0.00 C ATOM 563 CE2 TYR A 39 59.005 18.603 -0.657 1.00 0.00 C ATOM 564 CZ TYR A 39 59.705 19.610 0.019 1.00 0.00 C ATOM 565 OH TYR A 39 60.914 20.060 -0.471 1.00 0.00 O ATOM 0 H TYR A 39 57.270 18.275 4.234 1.00 0.00 H new ATOM 0 HA TYR A 39 55.279 16.616 2.875 1.00 0.00 H new ATOM 0 HB2 TYR A 39 55.350 17.690 0.796 1.00 0.00 H new ATOM 0 HB3 TYR A 39 55.308 19.064 1.883 1.00 0.00 H new ATOM 0 HD1 TYR A 39 57.550 20.125 2.597 1.00 0.00 H new ATOM 0 HD2 TYR A 39 57.241 17.375 -0.689 1.00 0.00 H new ATOM 0 HE1 TYR A 39 59.720 20.929 1.720 1.00 0.00 H new ATOM 0 HE2 TYR A 39 59.413 18.178 -1.562 1.00 0.00 H new ATOM 0 HH TYR A 39 61.134 19.576 -1.294 1.00 0.00 H new ATOM 575 N THR A 40 57.221 15.364 1.716 1.00 0.00 N ATOM 576 CA THR A 40 58.309 14.435 1.365 1.00 0.00 C ATOM 577 C THR A 40 58.205 14.048 -0.109 1.00 0.00 C ATOM 578 O THR A 40 57.145 14.195 -0.722 1.00 0.00 O ATOM 579 CB THR A 40 58.228 13.158 2.219 1.00 0.00 C ATOM 580 OG1 THR A 40 57.102 12.396 1.808 1.00 0.00 O ATOM 581 CG2 THR A 40 58.087 13.495 3.712 1.00 0.00 C ATOM 0 H THR A 40 56.326 15.126 1.289 1.00 0.00 H new ATOM 0 HA THR A 40 59.259 14.935 1.555 1.00 0.00 H new ATOM 0 HB THR A 40 59.148 12.591 2.079 1.00 0.00 H new ATOM 0 HG1 THR A 40 57.045 11.580 2.347 1.00 0.00 H new ATOM 0 HG21 THR A 40 58.032 12.572 4.290 1.00 0.00 H new ATOM 0 HG22 THR A 40 58.950 14.076 4.037 1.00 0.00 H new ATOM 0 HG23 THR A 40 57.178 14.076 3.870 1.00 0.00 H new ATOM 589 N ASP A 41 59.314 13.550 -0.661 1.00 0.00 N ATOM 590 CA ASP A 41 59.365 13.135 -2.065 1.00 0.00 C ATOM 591 C ASP A 41 58.742 11.753 -2.241 1.00 0.00 C ATOM 592 O ASP A 41 59.232 10.767 -1.689 1.00 0.00 O ATOM 593 CB ASP A 41 60.822 13.092 -2.535 1.00 0.00 C ATOM 594 CG ASP A 41 61.425 14.497 -2.526 1.00 0.00 C ATOM 595 OD1 ASP A 41 60.905 15.345 -3.226 1.00 0.00 O ATOM 596 OD2 ASP A 41 62.397 14.695 -1.814 1.00 0.00 O ATOM 0 H ASP A 41 60.191 13.424 -0.156 1.00 0.00 H new ATOM 0 HA ASP A 41 58.802 13.855 -2.659 1.00 0.00 H new ATOM 0 HB2 ASP A 41 61.401 12.436 -1.885 1.00 0.00 H new ATOM 0 HB3 ASP A 41 60.875 12.673 -3.540 1.00 0.00 H new ATOM 601 N ARG A 42 57.664 11.686 -3.016 1.00 0.00 N ATOM 602 CA ARG A 42 56.986 10.415 -3.259 1.00 0.00 C ATOM 603 C ARG A 42 57.911 9.464 -4.013 1.00 0.00 C ATOM 604 O ARG A 42 57.935 8.265 -3.734 1.00 0.00 O ATOM 605 CB ARG A 42 55.705 10.642 -4.086 1.00 0.00 C ATOM 606 CG ARG A 42 54.620 11.361 -3.241 1.00 0.00 C ATOM 607 CD ARG A 42 53.389 11.711 -4.104 1.00 0.00 C ATOM 608 NE ARG A 42 53.730 12.714 -5.127 1.00 0.00 N ATOM 609 CZ ARG A 42 53.856 14.008 -4.866 1.00 0.00 C ATOM 610 NH1 ARG A 42 53.675 14.451 -3.652 1.00 0.00 N ATOM 611 NH2 ARG A 42 54.157 14.840 -5.823 1.00 0.00 N ATOM 0 H ARG A 42 57.243 12.489 -3.484 1.00 0.00 H new ATOM 0 HA ARG A 42 56.720 9.976 -2.297 1.00 0.00 H new ATOM 0 HB2 ARG A 42 55.938 11.238 -4.969 1.00 0.00 H new ATOM 0 HB3 ARG A 42 55.321 9.685 -4.439 1.00 0.00 H new ATOM 0 HG2 ARG A 42 54.317 10.722 -2.411 1.00 0.00 H new ATOM 0 HG3 ARG A 42 55.035 12.271 -2.807 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.010 10.810 -4.585 1.00 0.00 H new ATOM 0 HD3 ARG A 42 52.591 12.092 -3.467 1.00 0.00 H new ATOM 0 HE ARG A 42 53.877 12.397 -6.085 1.00 0.00 H new ATOM 0 HH11 ARG A 42 53.436 13.802 -2.902 1.00 0.00 H new ATOM 0 HH12 ARG A 42 53.772 15.447 -3.453 1.00 0.00 H new ATOM 0 HH21 ARG A 42 54.296 14.496 -6.773 1.00 0.00 H new ATOM 0 HH22 ARG A 42 54.254 15.835 -5.622 1.00 0.00 H new ATOM 625 N ASP A 43 58.668 10.011 -4.965 1.00 0.00 N ATOM 626 CA ASP A 43 59.595 9.207 -5.762 1.00 0.00 C ATOM 627 C ASP A 43 60.843 8.868 -4.954 1.00 0.00 C ATOM 628 O ASP A 43 61.667 9.744 -4.675 1.00 0.00 O ATOM 629 CB ASP A 43 60.003 9.978 -7.023 1.00 0.00 C ATOM 630 CG ASP A 43 58.788 10.221 -7.920 1.00 0.00 C ATOM 631 OD1 ASP A 43 58.126 9.256 -8.262 1.00 0.00 O ATOM 632 OD2 ASP A 43 58.545 11.371 -8.250 1.00 0.00 O ATOM 0 H ASP A 43 58.658 11.003 -5.202 1.00 0.00 H new ATOM 0 HA ASP A 43 59.092 8.282 -6.043 1.00 0.00 H new ATOM 0 HB2 ASP A 43 60.453 10.931 -6.744 1.00 0.00 H new ATOM 0 HB3 ASP A 43 60.760 9.417 -7.571 1.00 0.00 H new ATOM 637 N TYR A 44 60.970 7.589 -4.590 1.00 0.00 N ATOM 638 CA TYR A 44 62.114 7.112 -3.815 1.00 0.00 C ATOM 639 C TYR A 44 63.320 6.892 -4.726 1.00 0.00 C ATOM 640 O TYR A 44 63.186 6.346 -5.822 1.00 0.00 O ATOM 641 CB TYR A 44 61.759 5.793 -3.128 1.00 0.00 C ATOM 642 CG TYR A 44 60.648 6.034 -2.100 1.00 0.00 C ATOM 643 CD1 TYR A 44 60.975 6.496 -0.818 1.00 0.00 C ATOM 644 CD2 TYR A 44 59.307 5.788 -2.431 1.00 0.00 C ATOM 645 CE1 TYR A 44 59.969 6.713 0.131 1.00 0.00 C ATOM 646 CE2 TYR A 44 58.301 6.005 -1.484 1.00 0.00 C ATOM 647 CZ TYR A 44 58.631 6.469 -0.200 1.00 0.00 C ATOM 648 OH TYR A 44 57.638 6.683 0.735 1.00 0.00 O ATOM 0 H TYR A 44 60.291 6.864 -4.822 1.00 0.00 H new ATOM 0 HA TYR A 44 62.363 7.864 -3.066 1.00 0.00 H new ATOM 0 HB2 TYR A 44 61.432 5.062 -3.868 1.00 0.00 H new ATOM 0 HB3 TYR A 44 62.639 5.378 -2.637 1.00 0.00 H new ATOM 0 HD1 TYR A 44 62.007 6.685 -0.561 1.00 0.00 H new ATOM 0 HD2 TYR A 44 59.051 5.431 -3.418 1.00 0.00 H new ATOM 0 HE1 TYR A 44 60.225 7.069 1.118 1.00 0.00 H new ATOM 0 HE2 TYR A 44 57.269 5.816 -1.740 1.00 0.00 H new ATOM 0 HH TYR A 44 56.767 6.466 0.342 1.00 0.00 H new ATOM 658 N LYS A 45 64.491 7.317 -4.258 1.00 0.00 N ATOM 659 CA LYS A 45 65.728 7.169 -5.027 1.00 0.00 C ATOM 660 C LYS A 45 66.197 5.717 -4.996 1.00 0.00 C ATOM 661 O LYS A 45 66.063 5.039 -3.976 1.00 0.00 O ATOM 662 CB LYS A 45 66.829 8.070 -4.434 1.00 0.00 C ATOM 663 CG LYS A 45 66.484 9.574 -4.625 1.00 0.00 C ATOM 664 CD LYS A 45 67.561 10.471 -3.959 1.00 0.00 C ATOM 665 CE LYS A 45 67.241 11.965 -4.170 1.00 0.00 C ATOM 666 NZ LYS A 45 68.282 12.787 -3.491 1.00 0.00 N ATOM 0 H LYS A 45 64.611 7.767 -3.350 1.00 0.00 H new ATOM 0 HA LYS A 45 65.532 7.464 -6.058 1.00 0.00 H new ATOM 0 HB2 LYS A 45 66.948 7.853 -3.373 1.00 0.00 H new ATOM 0 HB3 LYS A 45 67.782 7.848 -4.914 1.00 0.00 H new ATOM 0 HG2 LYS A 45 66.417 9.805 -5.688 1.00 0.00 H new ATOM 0 HG3 LYS A 45 65.507 9.786 -4.191 1.00 0.00 H new ATOM 0 HD2 LYS A 45 67.612 10.253 -2.892 1.00 0.00 H new ATOM 0 HD3 LYS A 45 68.541 10.242 -4.379 1.00 0.00 H new ATOM 0 HE2 LYS A 45 67.214 12.197 -5.235 1.00 0.00 H new ATOM 0 HE3 LYS A 45 66.255 12.199 -3.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 68.072 13.796 -3.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 68.286 12.571 -2.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 69.215 12.569 -3.895 1.00 0.00 H new ATOM 680 N ASN A 46 66.747 5.252 -6.120 1.00 0.00 N ATOM 681 CA ASN A 46 67.233 3.877 -6.227 1.00 0.00 C ATOM 682 C ASN A 46 68.570 3.716 -5.498 1.00 0.00 C ATOM 683 O ASN A 46 69.635 3.695 -6.120 1.00 0.00 O ATOM 684 CB ASN A 46 67.386 3.501 -7.706 1.00 0.00 C ATOM 685 CG ASN A 46 67.866 2.057 -7.834 1.00 0.00 C ATOM 686 OD1 ASN A 46 67.271 1.152 -7.253 1.00 0.00 O ATOM 687 ND2 ASN A 46 68.915 1.790 -8.567 1.00 0.00 N ATOM 0 H ASN A 46 66.866 5.808 -6.967 1.00 0.00 H new ATOM 0 HA ASN A 46 66.509 3.210 -5.758 1.00 0.00 H new ATOM 0 HB2 ASN A 46 66.433 3.622 -8.220 1.00 0.00 H new ATOM 0 HB3 ASN A 46 68.096 4.173 -8.188 1.00 0.00 H new ATOM 0 HD21 ASN A 46 69.242 0.828 -8.658 1.00 0.00 H new ATOM 0 HD22 ASN A 46 69.406 2.544 -9.048 1.00 0.00 H new ATOM 694 N CYS A 47 68.487 3.595 -4.170 1.00 0.00 N ATOM 695 CA CYS A 47 69.672 3.429 -3.325 1.00 0.00 C ATOM 696 C CYS A 47 70.131 1.972 -3.318 1.00 0.00 C ATOM 697 O CYS A 47 69.314 1.054 -3.403 1.00 0.00 O ATOM 698 CB CYS A 47 69.349 3.863 -1.894 1.00 0.00 C ATOM 699 SG CYS A 47 68.855 5.605 -1.885 1.00 0.00 S ATOM 0 H CYS A 47 67.607 3.609 -3.655 1.00 0.00 H new ATOM 0 HA CYS A 47 70.473 4.048 -3.729 1.00 0.00 H new ATOM 0 HB2 CYS A 47 68.548 3.245 -1.488 1.00 0.00 H new ATOM 0 HB3 CYS A 47 70.219 3.718 -1.254 1.00 0.00 H new ATOM 0 HG CYS A 47 67.776 5.754 -2.594 1.00 0.00 H new ATOM 705 N GLU A 48 71.443 1.774 -3.219 1.00 0.00 N ATOM 706 CA GLU A 48 72.021 0.428 -3.205 1.00 0.00 C ATOM 707 C GLU A 48 71.706 -0.273 -1.886 1.00 0.00 C ATOM 708 O GLU A 48 71.330 0.373 -0.907 1.00 0.00 O ATOM 709 CB GLU A 48 73.547 0.505 -3.385 1.00 0.00 C ATOM 710 CG GLU A 48 73.918 0.984 -4.807 1.00 0.00 C ATOM 711 CD GLU A 48 75.430 1.175 -4.935 1.00 0.00 C ATOM 712 OE1 GLU A 48 76.142 0.827 -4.007 1.00 0.00 O ATOM 713 OE2 GLU A 48 75.851 1.662 -5.971 1.00 0.00 O ATOM 0 H GLU A 48 72.128 2.527 -3.147 1.00 0.00 H new ATOM 0 HA GLU A 48 71.585 -0.140 -4.027 1.00 0.00 H new ATOM 0 HB2 GLU A 48 73.969 1.187 -2.647 1.00 0.00 H new ATOM 0 HB3 GLU A 48 73.987 -0.475 -3.202 1.00 0.00 H new ATOM 0 HG2 GLU A 48 73.575 0.256 -5.542 1.00 0.00 H new ATOM 0 HG3 GLU A 48 73.408 1.922 -5.025 1.00 0.00 H new ATOM 720 N SER A 49 71.859 -1.601 -1.874 1.00 0.00 N ATOM 721 CA SER A 49 71.588 -2.397 -0.678 1.00 0.00 C ATOM 722 C SER A 49 72.212 -3.780 -0.814 1.00 0.00 C ATOM 723 O SER A 49 71.688 -4.633 -1.533 1.00 0.00 O ATOM 724 CB SER A 49 70.081 -2.541 -0.470 1.00 0.00 C ATOM 725 OG SER A 49 69.844 -3.392 0.643 1.00 0.00 O ATOM 0 H SER A 49 72.169 -2.145 -2.679 1.00 0.00 H new ATOM 0 HA SER A 49 72.024 -1.887 0.181 1.00 0.00 H new ATOM 0 HB2 SER A 49 69.630 -1.564 -0.299 1.00 0.00 H new ATOM 0 HB3 SER A 49 69.616 -2.954 -1.365 1.00 0.00 H new ATOM 0 HG SER A 49 70.663 -3.470 1.176 1.00 0.00 H new ATOM 731 N TYR A 50 73.333 -3.984 -0.118 1.00 0.00 N ATOM 732 CA TYR A 50 74.049 -5.258 -0.157 1.00 0.00 C ATOM 733 C TYR A 50 73.431 -6.258 0.823 1.00 0.00 C ATOM 734 O TYR A 50 73.817 -7.429 0.840 1.00 0.00 O ATOM 735 CB TYR A 50 75.518 -5.016 0.198 1.00 0.00 C ATOM 736 CG TYR A 50 76.286 -4.588 -1.059 1.00 0.00 C ATOM 737 CD1 TYR A 50 76.893 -5.553 -1.873 1.00 0.00 C ATOM 738 CD2 TYR A 50 76.395 -3.228 -1.386 1.00 0.00 C ATOM 739 CE1 TYR A 50 77.603 -5.163 -3.012 1.00 0.00 C ATOM 740 CE2 TYR A 50 77.106 -2.841 -2.529 1.00 0.00 C ATOM 741 CZ TYR A 50 77.709 -3.806 -3.342 1.00 0.00 C ATOM 742 OH TYR A 50 78.410 -3.422 -4.468 1.00 0.00 O ATOM 0 H TYR A 50 73.764 -3.280 0.481 1.00 0.00 H new ATOM 0 HA TYR A 50 73.975 -5.678 -1.160 1.00 0.00 H new ATOM 0 HB2 TYR A 50 75.595 -4.245 0.964 1.00 0.00 H new ATOM 0 HB3 TYR A 50 75.957 -5.923 0.614 1.00 0.00 H new ATOM 0 HD1 TYR A 50 76.812 -6.600 -1.620 1.00 0.00 H new ATOM 0 HD2 TYR A 50 75.932 -2.481 -0.758 1.00 0.00 H new ATOM 0 HE1 TYR A 50 78.070 -5.909 -3.638 1.00 0.00 H new ATOM 0 HE2 TYR A 50 77.189 -1.795 -2.783 1.00 0.00 H new ATOM 0 HH TYR A 50 78.385 -2.446 -4.552 1.00 0.00 H new ATOM 752 N HIS A 51 72.466 -5.775 1.623 1.00 0.00 N ATOM 753 CA HIS A 51 71.769 -6.603 2.623 1.00 0.00 C ATOM 754 C HIS A 51 72.775 -7.348 3.510 1.00 0.00 C ATOM 755 O HIS A 51 72.678 -8.562 3.700 1.00 0.00 O ATOM 756 CB HIS A 51 70.824 -7.608 1.930 1.00 0.00 C ATOM 757 CG HIS A 51 69.823 -6.865 1.087 1.00 0.00 C ATOM 758 ND1 HIS A 51 68.691 -6.269 1.630 1.00 0.00 N ATOM 759 CD2 HIS A 51 69.767 -6.614 -0.260 1.00 0.00 C ATOM 760 CE1 HIS A 51 68.014 -5.697 0.618 1.00 0.00 C ATOM 761 NE2 HIS A 51 68.626 -5.876 -0.554 1.00 0.00 N ATOM 0 H HIS A 51 72.148 -4.806 1.596 1.00 0.00 H new ATOM 0 HA HIS A 51 71.175 -5.942 3.255 1.00 0.00 H new ATOM 0 HB2 HIS A 51 71.400 -8.294 1.308 1.00 0.00 H new ATOM 0 HB3 HIS A 51 70.308 -8.211 2.677 1.00 0.00 H new ATOM 0 HD2 HIS A 51 70.499 -6.941 -0.984 1.00 0.00 H new ATOM 0 HE1 HIS A 51 67.086 -5.158 0.740 1.00 0.00 H new ATOM 0 HE2 HIS A 51 68.322 -5.543 -1.469 1.00 0.00 H new ATOM 769 N LYS A 52 73.760 -6.614 4.028 1.00 0.00 N ATOM 770 CA LYS A 52 74.795 -7.219 4.866 1.00 0.00 C ATOM 771 C LYS A 52 74.192 -7.820 6.131 1.00 0.00 C ATOM 772 O LYS A 52 74.500 -8.959 6.484 1.00 0.00 O ATOM 773 CB LYS A 52 75.834 -6.161 5.286 1.00 0.00 C ATOM 774 CG LYS A 52 76.598 -5.596 4.059 1.00 0.00 C ATOM 775 CD LYS A 52 77.651 -4.543 4.504 1.00 0.00 C ATOM 776 CE LYS A 52 78.391 -3.952 3.289 1.00 0.00 C ATOM 777 NZ LYS A 52 79.396 -2.961 3.767 1.00 0.00 N ATOM 0 H LYS A 52 73.863 -5.609 3.884 1.00 0.00 H new ATOM 0 HA LYS A 52 75.272 -8.003 4.278 1.00 0.00 H new ATOM 0 HB2 LYS A 52 75.334 -5.347 5.811 1.00 0.00 H new ATOM 0 HB3 LYS A 52 76.543 -6.604 5.985 1.00 0.00 H new ATOM 0 HG2 LYS A 52 77.092 -6.409 3.526 1.00 0.00 H new ATOM 0 HG3 LYS A 52 75.893 -5.141 3.363 1.00 0.00 H new ATOM 0 HD2 LYS A 52 77.159 -3.744 5.058 1.00 0.00 H new ATOM 0 HD3 LYS A 52 78.369 -5.006 5.181 1.00 0.00 H new ATOM 0 HE2 LYS A 52 78.883 -4.745 2.726 1.00 0.00 H new ATOM 0 HE3 LYS A 52 77.682 -3.473 2.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 79.900 -2.557 2.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 78.914 -2.201 4.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 80.077 -3.433 4.396 1.00 0.00 H new ATOM 791 N CYS A 53 73.337 -7.049 6.806 1.00 0.00 N ATOM 792 CA CYS A 53 72.686 -7.507 8.042 1.00 0.00 C ATOM 793 C CYS A 53 71.449 -6.665 8.304 1.00 0.00 C ATOM 794 O CYS A 53 71.389 -5.517 7.857 1.00 0.00 O ATOM 795 CB CYS A 53 73.641 -7.396 9.240 1.00 0.00 C ATOM 796 SG CYS A 53 72.926 -8.249 10.670 1.00 0.00 S ATOM 0 H CYS A 53 73.077 -6.105 6.520 1.00 0.00 H new ATOM 0 HA CYS A 53 72.407 -8.553 7.917 1.00 0.00 H new ATOM 0 HB2 CYS A 53 74.607 -7.833 8.989 1.00 0.00 H new ATOM 0 HB3 CYS A 53 73.818 -6.348 9.481 1.00 0.00 H new ATOM 0 HG CYS A 53 73.737 -8.155 11.681 1.00 0.00 H new ATOM 802 N SER A 54 70.500 -7.259 9.054 1.00 0.00 N ATOM 803 CA SER A 54 69.243 -6.623 9.434 1.00 0.00 C ATOM 804 C SER A 54 68.699 -5.752 8.321 1.00 0.00 C ATOM 805 O SER A 54 68.684 -4.528 8.431 1.00 0.00 O ATOM 806 CB SER A 54 69.440 -5.801 10.689 1.00 0.00 C ATOM 807 OG SER A 54 70.428 -4.813 10.444 1.00 0.00 O ATOM 0 H SER A 54 70.596 -8.209 9.414 1.00 0.00 H new ATOM 0 HA SER A 54 68.514 -7.410 9.625 1.00 0.00 H new ATOM 0 HB2 SER A 54 68.501 -5.330 10.982 1.00 0.00 H new ATOM 0 HB3 SER A 54 69.746 -6.443 11.515 1.00 0.00 H new ATOM 0 HG SER A 54 70.593 -4.305 11.265 1.00 0.00 H new ATOM 813 N ASP A 55 68.315 -6.410 7.237 1.00 0.00 N ATOM 814 CA ASP A 55 67.802 -5.737 6.036 1.00 0.00 C ATOM 815 C ASP A 55 66.672 -4.769 6.379 1.00 0.00 C ATOM 816 O ASP A 55 66.446 -3.782 5.676 1.00 0.00 O ATOM 817 CB ASP A 55 67.300 -6.788 5.040 1.00 0.00 C ATOM 818 CG ASP A 55 68.351 -7.883 4.860 1.00 0.00 C ATOM 819 OD1 ASP A 55 69.514 -7.607 5.120 1.00 0.00 O ATOM 820 OD2 ASP A 55 67.983 -8.965 4.449 1.00 0.00 O ATOM 0 H ASP A 55 68.347 -7.426 7.158 1.00 0.00 H new ATOM 0 HA ASP A 55 68.614 -5.161 5.593 1.00 0.00 H new ATOM 0 HB2 ASP A 55 66.367 -7.223 5.398 1.00 0.00 H new ATOM 0 HB3 ASP A 55 67.085 -6.318 4.080 1.00 0.00 H new ATOM 825 N LEU A 56 65.991 -5.046 7.479 1.00 0.00 N ATOM 826 CA LEU A 56 64.912 -4.194 7.944 1.00 0.00 C ATOM 827 C LEU A 56 65.484 -2.826 8.302 1.00 0.00 C ATOM 828 O LEU A 56 64.875 -1.801 7.984 1.00 0.00 O ATOM 829 CB LEU A 56 64.238 -4.793 9.198 1.00 0.00 C ATOM 830 CG LEU A 56 63.874 -6.309 9.032 1.00 0.00 C ATOM 831 CD1 LEU A 56 63.104 -6.812 10.267 1.00 0.00 C ATOM 832 CD2 LEU A 56 63.003 -6.574 7.787 1.00 0.00 C ATOM 0 H LEU A 56 66.169 -5.859 8.068 1.00 0.00 H new ATOM 0 HA LEU A 56 64.168 -4.109 7.152 1.00 0.00 H new ATOM 0 HB2 LEU A 56 64.904 -4.676 10.053 1.00 0.00 H new ATOM 0 HB3 LEU A 56 63.332 -4.230 9.421 1.00 0.00 H new ATOM 0 HG LEU A 56 64.819 -6.841 8.918 1.00 0.00 H new ATOM 0 HD11 LEU A 56 62.858 -7.866 10.138 1.00 0.00 H new ATOM 0 HD12 LEU A 56 63.723 -6.690 11.156 1.00 0.00 H new ATOM 0 HD13 LEU A 56 62.186 -6.236 10.382 1.00 0.00 H new ATOM 0 HD21 LEU A 56 62.780 -7.639 7.719 1.00 0.00 H new ATOM 0 HD22 LEU A 56 62.072 -6.012 7.868 1.00 0.00 H new ATOM 0 HD23 LEU A 56 63.541 -6.258 6.893 1.00 0.00 H new ATOM 844 N CYS A 57 66.668 -2.827 8.946 1.00 0.00 N ATOM 845 CA CYS A 57 67.344 -1.587 9.334 1.00 0.00 C ATOM 846 C CYS A 57 68.191 -1.112 8.163 1.00 0.00 C ATOM 847 O CYS A 57 69.155 -1.765 7.774 1.00 0.00 O ATOM 848 CB CYS A 57 68.195 -1.861 10.581 1.00 0.00 C ATOM 849 SG CYS A 57 69.312 -0.462 10.943 1.00 0.00 S ATOM 0 H CYS A 57 67.171 -3.676 9.205 1.00 0.00 H new ATOM 0 HA CYS A 57 66.628 -0.802 9.578 1.00 0.00 H new ATOM 0 HB2 CYS A 57 67.543 -2.040 11.436 1.00 0.00 H new ATOM 0 HB3 CYS A 57 68.781 -2.768 10.432 1.00 0.00 H new ATOM 0 HG CYS A 57 70.495 -0.915 11.235 1.00 0.00 H new ATOM 854 N GLN A 58 67.783 0.001 7.567 1.00 0.00 N ATOM 855 CA GLN A 58 68.476 0.530 6.399 1.00 0.00 C ATOM 856 C GLN A 58 69.870 1.056 6.739 1.00 0.00 C ATOM 857 O GLN A 58 70.766 1.019 5.904 1.00 0.00 O ATOM 858 CB GLN A 58 67.662 1.661 5.740 1.00 0.00 C ATOM 859 CG GLN A 58 66.951 2.524 6.796 1.00 0.00 C ATOM 860 CD GLN A 58 66.582 3.876 6.191 1.00 0.00 C ATOM 861 OE1 GLN A 58 66.276 3.964 5.003 1.00 0.00 O ATOM 862 NE2 GLN A 58 66.597 4.940 6.944 1.00 0.00 N ATOM 0 H GLN A 58 66.980 0.552 7.871 1.00 0.00 H new ATOM 0 HA GLN A 58 68.582 -0.303 5.704 1.00 0.00 H new ATOM 0 HB2 GLN A 58 68.323 2.287 5.141 1.00 0.00 H new ATOM 0 HB3 GLN A 58 66.925 1.233 5.060 1.00 0.00 H new ATOM 0 HG2 GLN A 58 66.054 2.016 7.151 1.00 0.00 H new ATOM 0 HG3 GLN A 58 67.600 2.666 7.660 1.00 0.00 H new ATOM 0 HE21 GLN A 58 66.851 4.864 7.929 1.00 0.00 H new ATOM 0 HE22 GLN A 58 66.355 5.848 6.548 1.00 0.00 H new ATOM 871 N TYR A 59 70.028 1.587 7.942 1.00 0.00 N ATOM 872 CA TYR A 59 71.295 2.169 8.377 1.00 0.00 C ATOM 873 C TYR A 59 72.341 1.104 8.696 1.00 0.00 C ATOM 874 O TYR A 59 73.538 1.362 8.571 1.00 0.00 O ATOM 875 CB TYR A 59 71.052 3.049 9.596 1.00 0.00 C ATOM 876 CG TYR A 59 71.224 4.525 9.215 1.00 0.00 C ATOM 877 CD1 TYR A 59 70.145 5.230 8.674 1.00 0.00 C ATOM 878 CD2 TYR A 59 72.451 5.165 9.416 1.00 0.00 C ATOM 879 CE1 TYR A 59 70.292 6.581 8.334 1.00 0.00 C ATOM 880 CE2 TYR A 59 72.598 6.518 9.073 1.00 0.00 C ATOM 881 CZ TYR A 59 71.516 7.225 8.532 1.00 0.00 C ATOM 882 OH TYR A 59 71.659 8.556 8.197 1.00 0.00 O ATOM 0 H TYR A 59 69.288 1.628 8.643 1.00 0.00 H new ATOM 0 HA TYR A 59 71.689 2.767 7.556 1.00 0.00 H new ATOM 0 HB2 TYR A 59 70.048 2.879 9.984 1.00 0.00 H new ATOM 0 HB3 TYR A 59 71.750 2.786 10.391 1.00 0.00 H new ATOM 0 HD1 TYR A 59 69.199 4.733 8.518 1.00 0.00 H new ATOM 0 HD2 TYR A 59 73.284 4.619 9.834 1.00 0.00 H new ATOM 0 HE1 TYR A 59 69.457 7.126 7.918 1.00 0.00 H new ATOM 0 HE2 TYR A 59 73.545 7.014 9.226 1.00 0.00 H new ATOM 0 HH TYR A 59 72.572 8.848 8.400 1.00 0.00 H new ATOM 892 N CYS A 60 71.893 -0.083 9.110 1.00 0.00 N ATOM 893 CA CYS A 60 72.810 -1.161 9.435 1.00 0.00 C ATOM 894 C CYS A 60 73.646 -1.528 8.210 1.00 0.00 C ATOM 895 O CYS A 60 74.763 -2.014 8.324 1.00 0.00 O ATOM 896 CB CYS A 60 72.023 -2.391 9.880 1.00 0.00 C ATOM 897 SG CYS A 60 71.867 -2.492 11.703 1.00 0.00 S ATOM 0 H CYS A 60 70.906 -0.315 9.225 1.00 0.00 H new ATOM 0 HA CYS A 60 73.467 -0.829 10.239 1.00 0.00 H new ATOM 0 HB2 CYS A 60 71.029 -2.365 9.433 1.00 0.00 H new ATOM 0 HB3 CYS A 60 72.516 -3.289 9.509 1.00 0.00 H new ATOM 0 HG CYS A 60 72.114 -1.327 12.225 1.00 0.00 H new ATOM 902 N ARG A 61 73.071 -1.310 7.036 1.00 0.00 N ATOM 903 CA ARG A 61 73.742 -1.647 5.782 1.00 0.00 C ATOM 904 C ARG A 61 75.040 -0.850 5.621 1.00 0.00 C ATOM 905 O ARG A 61 76.029 -1.377 5.111 1.00 0.00 O ATOM 906 CB ARG A 61 72.811 -1.337 4.596 1.00 0.00 C ATOM 907 CG ARG A 61 71.519 -2.201 4.671 1.00 0.00 C ATOM 908 CD ARG A 61 70.521 -1.805 3.575 1.00 0.00 C ATOM 909 NE ARG A 61 69.327 -2.643 3.679 1.00 0.00 N ATOM 910 CZ ARG A 61 68.250 -2.430 2.927 1.00 0.00 C ATOM 911 NH1 ARG A 61 68.251 -1.465 2.050 1.00 0.00 N ATOM 912 NH2 ARG A 61 67.196 -3.184 3.071 1.00 0.00 N ATOM 0 H ARG A 61 72.143 -0.902 6.922 1.00 0.00 H new ATOM 0 HA ARG A 61 73.984 -2.710 5.802 1.00 0.00 H new ATOM 0 HB2 ARG A 61 72.548 -0.279 4.600 1.00 0.00 H new ATOM 0 HB3 ARG A 61 73.331 -1.532 3.658 1.00 0.00 H new ATOM 0 HG2 ARG A 61 71.777 -3.255 4.568 1.00 0.00 H new ATOM 0 HG3 ARG A 61 71.055 -2.081 5.650 1.00 0.00 H new ATOM 0 HD2 ARG A 61 70.251 -0.754 3.676 1.00 0.00 H new ATOM 0 HD3 ARG A 61 70.977 -1.923 2.592 1.00 0.00 H new ATOM 0 HE ARG A 61 69.320 -3.413 4.348 1.00 0.00 H new ATOM 0 HH11 ARG A 61 69.076 -0.875 1.942 1.00 0.00 H new ATOM 0 HH12 ARG A 61 67.427 -1.300 1.472 1.00 0.00 H new ATOM 0 HH21 ARG A 61 67.197 -3.936 3.760 1.00 0.00 H new ATOM 0 HH22 ARG A 61 66.370 -3.021 2.495 1.00 0.00 H new ATOM 926 N TYR A 62 75.013 0.418 6.050 1.00 0.00 N ATOM 927 CA TYR A 62 76.178 1.316 5.948 1.00 0.00 C ATOM 928 C TYR A 62 77.053 1.261 7.195 1.00 0.00 C ATOM 929 O TYR A 62 78.263 1.041 7.091 1.00 0.00 O ATOM 930 CB TYR A 62 75.698 2.754 5.753 1.00 0.00 C ATOM 931 CG TYR A 62 74.970 2.870 4.410 1.00 0.00 C ATOM 932 CD1 TYR A 62 75.708 3.109 3.240 1.00 0.00 C ATOM 933 CD2 TYR A 62 73.577 2.756 4.349 1.00 0.00 C ATOM 934 CE1 TYR A 62 75.045 3.221 2.013 1.00 0.00 C ATOM 935 CE2 TYR A 62 72.918 2.876 3.120 1.00 0.00 C ATOM 936 CZ TYR A 62 73.655 3.106 1.950 1.00 0.00 C ATOM 937 OH TYR A 62 73.007 3.226 0.737 1.00 0.00 O ATOM 0 H TYR A 62 74.193 0.851 6.474 1.00 0.00 H new ATOM 0 HA TYR A 62 76.772 0.985 5.096 1.00 0.00 H new ATOM 0 HB2 TYR A 62 75.031 3.040 6.566 1.00 0.00 H new ATOM 0 HB3 TYR A 62 76.546 3.439 5.780 1.00 0.00 H new ATOM 0 HD1 TYR A 62 76.783 3.206 3.287 1.00 0.00 H new ATOM 0 HD2 TYR A 62 73.010 2.575 5.250 1.00 0.00 H new ATOM 0 HE1 TYR A 62 75.611 3.397 1.110 1.00 0.00 H new ATOM 0 HE2 TYR A 62 71.842 2.791 3.073 1.00 0.00 H new ATOM 0 HH TYR A 62 72.042 3.119 0.870 1.00 0.00 H new ATOM 947 N GLN A 63 76.416 1.483 8.355 1.00 0.00 N ATOM 948 CA GLN A 63 77.093 1.487 9.664 1.00 0.00 C ATOM 949 C GLN A 63 76.319 0.619 10.644 1.00 0.00 C ATOM 950 O GLN A 63 75.184 0.927 10.988 1.00 0.00 O ATOM 951 CB GLN A 63 77.165 2.919 10.233 1.00 0.00 C ATOM 952 CG GLN A 63 78.106 3.808 9.396 1.00 0.00 C ATOM 953 CD GLN A 63 78.116 5.234 9.945 1.00 0.00 C ATOM 954 OE1 GLN A 63 77.451 5.534 10.937 1.00 0.00 O ATOM 955 NE2 GLN A 63 78.853 6.134 9.357 1.00 0.00 N ATOM 0 H GLN A 63 75.414 1.665 8.413 1.00 0.00 H new ATOM 0 HA GLN A 63 78.102 1.098 9.527 1.00 0.00 H new ATOM 0 HB2 GLN A 63 76.167 3.357 10.249 1.00 0.00 H new ATOM 0 HB3 GLN A 63 77.515 2.885 11.265 1.00 0.00 H new ATOM 0 HG2 GLN A 63 79.116 3.398 9.413 1.00 0.00 H new ATOM 0 HG3 GLN A 63 77.782 3.814 8.355 1.00 0.00 H new ATOM 0 HE21 GLN A 63 79.404 5.885 8.535 1.00 0.00 H new ATOM 0 HE22 GLN A 63 78.879 7.087 9.719 1.00 0.00 H new ATOM 964 N LYS A 64 76.949 -0.468 11.073 1.00 0.00 N ATOM 965 CA LYS A 64 76.326 -1.406 12.008 1.00 0.00 C ATOM 966 C LYS A 64 75.925 -0.710 13.296 1.00 0.00 C ATOM 967 O LYS A 64 76.731 0.004 13.901 1.00 0.00 O ATOM 968 CB LYS A 64 77.285 -2.553 12.373 1.00 0.00 C ATOM 969 CG LYS A 64 77.835 -3.332 11.141 1.00 0.00 C ATOM 970 CD LYS A 64 76.747 -4.174 10.408 1.00 0.00 C ATOM 971 CE LYS A 64 77.373 -4.951 9.229 1.00 0.00 C ATOM 972 NZ LYS A 64 76.325 -5.787 8.589 1.00 0.00 N ATOM 0 H LYS A 64 77.894 -0.725 10.789 1.00 0.00 H new ATOM 0 HA LYS A 64 75.444 -1.804 11.506 1.00 0.00 H new ATOM 0 HB2 LYS A 64 78.124 -2.146 12.938 1.00 0.00 H new ATOM 0 HB3 LYS A 64 76.767 -3.251 13.030 1.00 0.00 H new ATOM 0 HG2 LYS A 64 78.271 -2.623 10.437 1.00 0.00 H new ATOM 0 HG3 LYS A 64 78.638 -3.993 11.467 1.00 0.00 H new ATOM 0 HD2 LYS A 64 76.285 -4.871 11.107 1.00 0.00 H new ATOM 0 HD3 LYS A 64 75.956 -3.519 10.042 1.00 0.00 H new ATOM 0 HE2 LYS A 64 77.796 -4.257 8.503 1.00 0.00 H new ATOM 0 HE3 LYS A 64 78.191 -5.579 9.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 76.774 -6.494 7.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 75.770 -6.271 9.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 75.696 -5.182 8.023 1.00 0.00 H new ATOM 986 N ASP A 65 74.664 -0.946 13.678 1.00 0.00 N ATOM 987 CA ASP A 65 74.062 -0.373 14.891 1.00 0.00 C ATOM 988 C ASP A 65 73.704 -1.467 15.901 1.00 0.00 C ATOM 989 O ASP A 65 72.993 -1.202 16.855 1.00 0.00 O ATOM 990 CB ASP A 65 72.774 0.385 14.540 1.00 0.00 C ATOM 991 CG ASP A 65 72.821 0.932 13.092 1.00 0.00 C ATOM 992 OD1 ASP A 65 73.603 1.843 12.881 1.00 0.00 O ATOM 993 OD2 ASP A 65 72.113 0.427 12.210 1.00 0.00 O ATOM 0 H ASP A 65 74.027 -1.544 13.151 1.00 0.00 H new ATOM 0 HA ASP A 65 74.797 0.303 15.328 1.00 0.00 H new ATOM 0 HB2 ASP A 65 71.917 -0.278 14.653 1.00 0.00 H new ATOM 0 HB3 ASP A 65 72.633 1.210 15.238 1.00 0.00 H new ATOM 998 N LEU A 66 74.169 -2.702 15.678 1.00 0.00 N ATOM 999 CA LEU A 66 73.849 -3.853 16.566 1.00 0.00 C ATOM 1000 C LEU A 66 74.160 -3.616 18.070 1.00 0.00 C ATOM 1001 O LEU A 66 73.862 -4.480 18.901 1.00 0.00 O ATOM 1002 CB LEU A 66 74.630 -5.107 16.095 1.00 0.00 C ATOM 1003 CG LEU A 66 74.081 -5.663 14.744 1.00 0.00 C ATOM 1004 CD1 LEU A 66 75.206 -6.374 13.972 1.00 0.00 C ATOM 1005 CD2 LEU A 66 72.969 -6.710 14.972 1.00 0.00 C ATOM 0 H LEU A 66 74.771 -2.942 14.890 1.00 0.00 H new ATOM 0 HA LEU A 66 72.771 -3.990 16.487 1.00 0.00 H new ATOM 0 HB2 LEU A 66 75.685 -4.856 15.982 1.00 0.00 H new ATOM 0 HB3 LEU A 66 74.566 -5.882 16.859 1.00 0.00 H new ATOM 0 HG LEU A 66 73.687 -4.812 14.189 1.00 0.00 H new ATOM 0 HD11 LEU A 66 74.814 -6.759 13.031 1.00 0.00 H new ATOM 0 HD12 LEU A 66 76.010 -5.667 13.768 1.00 0.00 H new ATOM 0 HD13 LEU A 66 75.591 -7.200 14.569 1.00 0.00 H new ATOM 0 HD21 LEU A 66 72.610 -7.075 14.010 1.00 0.00 H new ATOM 0 HD22 LEU A 66 73.367 -7.543 15.551 1.00 0.00 H new ATOM 0 HD23 LEU A 66 72.144 -6.251 15.516 1.00 0.00 H new ATOM 1017 N ALA A 67 74.730 -2.470 18.431 1.00 0.00 N ATOM 1018 CA ALA A 67 75.037 -2.182 19.822 1.00 0.00 C ATOM 1019 C ALA A 67 73.762 -2.139 20.654 1.00 0.00 C ATOM 1020 O ALA A 67 73.708 -2.705 21.746 1.00 0.00 O ATOM 1021 CB ALA A 67 75.736 -0.831 19.917 1.00 0.00 C ATOM 0 H ALA A 67 74.987 -1.729 17.779 1.00 0.00 H new ATOM 0 HA ALA A 67 75.685 -2.970 20.205 1.00 0.00 H new ATOM 0 HB1 ALA A 67 75.967 -0.613 20.960 1.00 0.00 H new ATOM 0 HB2 ALA A 67 76.660 -0.858 19.339 1.00 0.00 H new ATOM 0 HB3 ALA A 67 75.082 -0.054 19.521 1.00 0.00 H new ATOM 1027 N ILE A 68 72.749 -1.443 20.140 1.00 0.00 N ATOM 1028 CA ILE A 68 71.488 -1.318 20.861 1.00 0.00 C ATOM 1029 C ILE A 68 70.844 -2.694 21.103 1.00 0.00 C ATOM 1030 O ILE A 68 71.058 -3.301 22.153 1.00 0.00 O ATOM 1031 CB ILE A 68 70.500 -0.360 20.129 1.00 0.00 C ATOM 1032 CG1 ILE A 68 70.578 -0.514 18.587 1.00 0.00 C ATOM 1033 CG2 ILE A 68 70.834 1.105 20.461 1.00 0.00 C ATOM 1034 CD1 ILE A 68 69.206 -0.279 17.937 1.00 0.00 C ATOM 0 H ILE A 68 72.777 -0.964 19.240 1.00 0.00 H new ATOM 0 HA ILE A 68 71.714 -0.878 21.832 1.00 0.00 H new ATOM 0 HB ILE A 68 69.500 -0.624 20.471 1.00 0.00 H new ATOM 0 HG12 ILE A 68 71.301 0.195 18.184 1.00 0.00 H new ATOM 0 HG13 ILE A 68 70.937 -1.512 18.336 1.00 0.00 H new ATOM 0 HG21 ILE A 68 70.137 1.764 19.943 1.00 0.00 H new ATOM 0 HG22 ILE A 68 70.751 1.262 21.536 1.00 0.00 H new ATOM 0 HG23 ILE A 68 71.851 1.328 20.139 1.00 0.00 H new ATOM 0 HD11 ILE A 68 69.291 -0.393 16.856 1.00 0.00 H new ATOM 0 HD12 ILE A 68 68.491 -1.005 18.324 1.00 0.00 H new ATOM 0 HD13 ILE A 68 68.861 0.729 18.169 1.00 0.00 H new ATOM 1046 N HIS A 69 70.069 -3.183 20.137 1.00 0.00 N ATOM 1047 CA HIS A 69 69.416 -4.482 20.269 1.00 0.00 C ATOM 1048 C HIS A 69 70.442 -5.612 20.184 1.00 0.00 C ATOM 1049 O HIS A 69 71.200 -5.700 19.218 1.00 0.00 O ATOM 1050 CB HIS A 69 68.377 -4.657 19.159 1.00 0.00 C ATOM 1051 CG HIS A 69 67.904 -6.086 19.136 1.00 0.00 C ATOM 1052 ND1 HIS A 69 67.055 -6.599 20.104 1.00 0.00 N ATOM 1053 CD2 HIS A 69 68.149 -7.118 18.261 1.00 0.00 C ATOM 1054 CE1 HIS A 69 66.827 -7.891 19.794 1.00 0.00 C ATOM 1055 NE2 HIS A 69 67.467 -8.255 18.679 1.00 0.00 N ATOM 0 H HIS A 69 69.879 -2.701 19.258 1.00 0.00 H new ATOM 0 HA HIS A 69 68.925 -4.522 21.241 1.00 0.00 H new ATOM 0 HB2 HIS A 69 67.534 -3.986 19.326 1.00 0.00 H new ATOM 0 HB3 HIS A 69 68.810 -4.390 18.195 1.00 0.00 H new ATOM 0 HD2 HIS A 69 68.775 -7.055 17.383 1.00 0.00 H new ATOM 0 HE1 HIS A 69 66.202 -8.552 20.377 1.00 0.00 H new ATOM 0 HE2 HIS A 69 67.457 -9.171 18.231 1.00 0.00 H new ATOM 1063 N HIS A 70 70.450 -6.475 21.202 1.00 0.00 N ATOM 1064 CA HIS A 70 71.380 -7.603 21.240 1.00 0.00 C ATOM 1065 C HIS A 70 70.949 -8.687 20.259 1.00 0.00 C ATOM 1066 O HIS A 70 69.755 -8.951 20.110 1.00 0.00 O ATOM 1067 CB HIS A 70 71.425 -8.192 22.653 1.00 0.00 C ATOM 1068 CG HIS A 70 72.045 -7.198 23.594 1.00 0.00 C ATOM 1069 ND1 HIS A 70 71.305 -6.208 24.217 1.00 0.00 N ATOM 1070 CD2 HIS A 70 73.336 -7.037 24.039 1.00 0.00 C ATOM 1071 CE1 HIS A 70 72.145 -5.502 24.997 1.00 0.00 C ATOM 1072 NE2 HIS A 70 73.396 -5.966 24.922 1.00 0.00 N ATOM 0 H HIS A 70 69.826 -6.414 22.007 1.00 0.00 H new ATOM 0 HA HIS A 70 72.369 -7.242 20.959 1.00 0.00 H new ATOM 0 HB2 HIS A 70 70.418 -8.443 22.985 1.00 0.00 H new ATOM 0 HB3 HIS A 70 72.001 -9.117 22.654 1.00 0.00 H new ATOM 0 HD2 HIS A 70 74.176 -7.650 23.747 1.00 0.00 H new ATOM 0 HE1 HIS A 70 71.845 -4.664 25.608 1.00 0.00 H new ATOM 0 HE2 HIS A 70 74.219 -5.610 25.409 1.00 0.00 H new