USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=20 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 54 SER OG : rot 180:sc= 0.0316 USER MOD Set 1.2: A 64 LYS NZ :NH3+ 139:sc= 0.0324 (180deg=0) USER MOD Set 2.1: A 18 HIS : no HD1:sc= -0.336 K(o=3.2,f=-8.2!) USER MOD Set 2.2: A 57 CYS SG : rot -129:sc= 1.53 USER MOD Set 2.3: A 60 CYS SG : rot 31:sc= 1.99 USER MOD Set 3.1: A 46 ASN : amide:sc= -1.66 K(o=-3.4,f=-0.57) USER MOD Set 3.2: A 58 GLN : amide:sc= -1.71 K(o=-3.4,f=-1.3!) USER MOD Set 4.1: A 20 CYS SG : rot -144:sc= -0.0178 USER MOD Set 4.2: A 23 CYS SG : rot 118:sc= -0.278 USER MOD Set 4.3: A 26 ASN : amide:sc= -3.94! K(o=-3.8!,f=-0.18) USER MOD Set 4.4: A 33 THR OG1 : rot 170:sc= 0.426 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.27 X(o=-0.27,f=-0.62) 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 K(o=0,f=-0.62) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0321 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.103 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 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= 0.113 K(o=0.11,f=-2.3!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 CYS SG : rot -160:sc= 0.244 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=-0.00415 X(o=-0.0042,f=-0.041) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 HIS : no HE2:sc= 0.605 K(o=0.61,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 221 N GLY A 16 61.332 -2.921 19.681 1.00 0.00 N ATOM 222 CA GLY A 16 62.791 -2.933 19.713 1.00 0.00 C ATOM 223 C GLY A 16 63.344 -1.547 19.443 1.00 0.00 C ATOM 224 O GLY A 16 62.717 -0.754 18.745 1.00 0.00 O ATOM 0 HA2 GLY A 16 63.136 -3.284 20.686 1.00 0.00 H new ATOM 0 HA3 GLY A 16 63.170 -3.633 18.968 1.00 0.00 H new ATOM 228 N LYS A 17 64.528 -1.268 19.974 1.00 0.00 N ATOM 229 CA LYS A 17 65.144 0.014 19.742 1.00 0.00 C ATOM 230 C LYS A 17 65.492 0.079 18.274 1.00 0.00 C ATOM 231 O LYS A 17 65.252 1.084 17.635 1.00 0.00 O ATOM 232 CB LYS A 17 66.396 0.169 20.610 1.00 0.00 C ATOM 233 CG LYS A 17 65.995 0.193 22.107 1.00 0.00 C ATOM 234 CD LYS A 17 67.243 0.213 23.012 1.00 0.00 C ATOM 235 CE LYS A 17 66.841 0.252 24.496 1.00 0.00 C ATOM 236 NZ LYS A 17 68.074 0.253 25.334 1.00 0.00 N ATOM 0 H LYS A 17 65.067 -1.907 20.558 1.00 0.00 H new ATOM 0 HA LYS A 17 64.468 0.826 20.008 1.00 0.00 H new ATOM 0 HB2 LYS A 17 67.085 -0.654 20.421 1.00 0.00 H new ATOM 0 HB3 LYS A 17 66.919 1.089 20.349 1.00 0.00 H new ATOM 0 HG2 LYS A 17 65.381 1.071 22.309 1.00 0.00 H new ATOM 0 HG3 LYS A 17 65.387 -0.682 22.339 1.00 0.00 H new ATOM 0 HD2 LYS A 17 67.852 -0.670 22.819 1.00 0.00 H new ATOM 0 HD3 LYS A 17 67.857 1.082 22.774 1.00 0.00 H new ATOM 0 HE2 LYS A 17 66.246 1.142 24.701 1.00 0.00 H new ATOM 0 HE3 LYS A 17 66.220 -0.610 24.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 67.810 0.279 26.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 68.624 -0.608 25.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 68.649 1.089 25.105 1.00 0.00 H new ATOM 250 N HIS A 18 66.077 -1.014 17.769 1.00 0.00 N ATOM 251 CA HIS A 18 66.489 -1.100 16.362 1.00 0.00 C ATOM 252 C HIS A 18 65.361 -0.789 15.375 1.00 0.00 C ATOM 253 O HIS A 18 65.631 -0.242 14.303 1.00 0.00 O ATOM 254 CB HIS A 18 67.036 -2.505 16.025 1.00 0.00 C ATOM 255 CG HIS A 18 68.277 -2.446 15.141 1.00 0.00 C ATOM 256 ND1 HIS A 18 69.231 -3.443 15.184 1.00 0.00 N ATOM 257 CD2 HIS A 18 68.721 -1.537 14.224 1.00 0.00 C ATOM 258 CE1 HIS A 18 70.194 -3.105 14.313 1.00 0.00 C ATOM 259 NE2 HIS A 18 69.932 -1.939 13.693 1.00 0.00 N ATOM 0 H HIS A 18 66.276 -1.853 18.315 1.00 0.00 H new ATOM 0 HA HIS A 18 67.265 -0.342 16.251 1.00 0.00 H new ATOM 0 HB2 HIS A 18 67.276 -3.030 16.949 1.00 0.00 H new ATOM 0 HB3 HIS A 18 66.261 -3.083 15.522 1.00 0.00 H new ATOM 0 HD2 HIS A 18 68.199 -0.631 13.952 1.00 0.00 H new ATOM 0 HE1 HIS A 18 71.077 -3.699 14.130 1.00 0.00 H new ATOM 0 HE2 HIS A 18 70.498 -1.461 12.992 1.00 0.00 H new ATOM 266 N ILE A 19 64.125 -1.152 15.739 1.00 0.00 N ATOM 267 CA ILE A 19 62.947 -0.916 14.884 1.00 0.00 C ATOM 268 C ILE A 19 62.012 0.035 15.598 1.00 0.00 C ATOM 269 O ILE A 19 61.344 -0.347 16.557 1.00 0.00 O ATOM 270 CB ILE A 19 62.210 -2.252 14.575 1.00 0.00 C ATOM 271 CG1 ILE A 19 63.080 -3.125 13.634 1.00 0.00 C ATOM 272 CG2 ILE A 19 60.832 -1.988 13.890 1.00 0.00 C ATOM 273 CD1 ILE A 19 62.774 -4.623 13.826 1.00 0.00 C ATOM 0 H ILE A 19 63.911 -1.613 16.623 1.00 0.00 H new ATOM 0 HA ILE A 19 63.272 -0.484 13.937 1.00 0.00 H new ATOM 0 HB ILE A 19 62.041 -2.770 15.519 1.00 0.00 H new ATOM 0 HG12 ILE A 19 62.895 -2.843 12.597 1.00 0.00 H new ATOM 0 HG13 ILE A 19 64.135 -2.938 13.832 1.00 0.00 H new ATOM 0 HG21 ILE A 19 60.339 -2.939 13.686 1.00 0.00 H new ATOM 0 HG22 ILE A 19 60.206 -1.389 14.551 1.00 0.00 H new ATOM 0 HG23 ILE A 19 60.988 -1.451 12.954 1.00 0.00 H new ATOM 0 HD11 ILE A 19 63.399 -5.211 13.153 1.00 0.00 H new ATOM 0 HD12 ILE A 19 62.983 -4.908 14.857 1.00 0.00 H new ATOM 0 HD13 ILE A 19 61.724 -4.811 13.603 1.00 0.00 H new ATOM 285 N CYS A 20 61.930 1.256 15.097 1.00 0.00 N ATOM 286 CA CYS A 20 61.029 2.219 15.688 1.00 0.00 C ATOM 287 C CYS A 20 59.606 1.739 15.427 1.00 0.00 C ATOM 288 O CYS A 20 59.189 1.560 14.292 1.00 0.00 O ATOM 289 CB CYS A 20 61.281 3.595 15.092 1.00 0.00 C ATOM 290 SG CYS A 20 60.469 4.855 16.101 1.00 0.00 S ATOM 0 H CYS A 20 62.466 1.595 14.299 1.00 0.00 H new ATOM 0 HA CYS A 20 61.189 2.303 16.763 1.00 0.00 H new ATOM 0 HB2 CYS A 20 62.352 3.790 15.043 1.00 0.00 H new ATOM 0 HB3 CYS A 20 60.903 3.634 14.071 1.00 0.00 H new ATOM 0 HG CYS A 20 60.016 5.801 15.333 1.00 0.00 H new ATOM 295 N ALA A 21 58.888 1.482 16.494 1.00 0.00 N ATOM 296 CA ALA A 21 57.530 0.956 16.394 1.00 0.00 C ATOM 297 C ALA A 21 56.559 1.997 15.877 1.00 0.00 C ATOM 298 O ALA A 21 55.397 1.675 15.616 1.00 0.00 O ATOM 299 CB ALA A 21 57.068 0.495 17.770 1.00 0.00 C ATOM 0 H ALA A 21 59.215 1.626 17.449 1.00 0.00 H new ATOM 0 HA ALA A 21 57.546 0.124 15.690 1.00 0.00 H new ATOM 0 HB1 ALA A 21 56.054 0.101 17.700 1.00 0.00 H new ATOM 0 HB2 ALA A 21 57.736 -0.285 18.136 1.00 0.00 H new ATOM 0 HB3 ALA A 21 57.083 1.338 18.460 1.00 0.00 H new ATOM 305 N ILE A 22 57.042 3.237 15.768 1.00 0.00 N ATOM 306 CA ILE A 22 56.214 4.363 15.325 1.00 0.00 C ATOM 307 C ILE A 22 56.367 4.616 13.821 1.00 0.00 C ATOM 308 O ILE A 22 55.444 4.330 13.057 1.00 0.00 O ATOM 309 CB ILE A 22 56.601 5.631 16.138 1.00 0.00 C ATOM 310 CG1 ILE A 22 56.180 5.455 17.626 1.00 0.00 C ATOM 311 CG2 ILE A 22 55.896 6.909 15.578 1.00 0.00 C ATOM 312 CD1 ILE A 22 57.086 6.275 18.561 1.00 0.00 C ATOM 0 H ILE A 22 58.007 3.488 15.982 1.00 0.00 H new ATOM 0 HA ILE A 22 55.167 4.119 15.504 1.00 0.00 H new ATOM 0 HB ILE A 22 57.681 5.754 16.054 1.00 0.00 H new ATOM 0 HG12 ILE A 22 55.144 5.768 17.753 1.00 0.00 H new ATOM 0 HG13 ILE A 22 56.230 4.401 17.899 1.00 0.00 H new ATOM 0 HG21 ILE A 22 56.190 7.776 16.170 1.00 0.00 H new ATOM 0 HG22 ILE A 22 56.191 7.062 14.540 1.00 0.00 H new ATOM 0 HG23 ILE A 22 54.815 6.782 15.633 1.00 0.00 H new ATOM 0 HD11 ILE A 22 56.768 6.132 19.594 1.00 0.00 H new ATOM 0 HD12 ILE A 22 58.118 5.943 18.450 1.00 0.00 H new ATOM 0 HD13 ILE A 22 57.015 7.331 18.302 1.00 0.00 H new ATOM 324 N CYS A 23 57.515 5.203 13.429 1.00 0.00 N ATOM 325 CA CYS A 23 57.776 5.569 12.023 1.00 0.00 C ATOM 326 C CYS A 23 58.602 4.539 11.275 1.00 0.00 C ATOM 327 O CYS A 23 58.625 4.556 10.041 1.00 0.00 O ATOM 328 CB CYS A 23 58.555 6.866 11.992 1.00 0.00 C ATOM 329 SG CYS A 23 60.192 6.546 12.633 1.00 0.00 S ATOM 0 H CYS A 23 58.277 5.434 14.067 1.00 0.00 H new ATOM 0 HA CYS A 23 56.803 5.646 11.539 1.00 0.00 H new ATOM 0 HB2 CYS A 23 58.613 7.251 10.974 1.00 0.00 H new ATOM 0 HB3 CYS A 23 58.053 7.626 12.591 1.00 0.00 H new ATOM 0 HG CYS A 23 61.075 6.788 11.710 1.00 0.00 H new ATOM 334 N GLY A 24 59.285 3.656 11.997 1.00 0.00 N ATOM 335 CA GLY A 24 60.110 2.640 11.359 1.00 0.00 C ATOM 336 C GLY A 24 61.441 3.175 10.840 1.00 0.00 C ATOM 337 O GLY A 24 62.023 2.531 9.964 1.00 0.00 O ATOM 0 H GLY A 24 59.283 3.624 13.017 1.00 0.00 H new ATOM 0 HA2 GLY A 24 60.303 1.839 12.073 1.00 0.00 H new ATOM 0 HA3 GLY A 24 59.555 2.201 10.530 1.00 0.00 H new ATOM 341 N ASN A 25 61.968 4.321 11.353 1.00 0.00 N ATOM 342 CA ASN A 25 63.280 4.824 10.867 1.00 0.00 C ATOM 343 C ASN A 25 63.931 5.867 11.817 1.00 0.00 C ATOM 344 O ASN A 25 64.949 6.454 11.440 1.00 0.00 O ATOM 345 CB ASN A 25 63.125 5.475 9.467 1.00 0.00 C ATOM 346 CG ASN A 25 64.469 5.552 8.740 1.00 0.00 C ATOM 347 OD1 ASN A 25 65.105 4.528 8.486 1.00 0.00 O ATOM 348 ND2 ASN A 25 64.931 6.718 8.384 1.00 0.00 N ATOM 0 H ASN A 25 61.525 4.892 12.073 1.00 0.00 H new ATOM 0 HA ASN A 25 63.933 3.952 10.825 1.00 0.00 H new ATOM 0 HB2 ASN A 25 62.419 4.897 8.871 1.00 0.00 H new ATOM 0 HB3 ASN A 25 62.708 6.477 9.573 1.00 0.00 H new ATOM 0 HD21 ASN A 25 65.823 6.785 7.893 1.00 0.00 H new ATOM 0 HD22 ASN A 25 64.401 7.563 8.596 1.00 0.00 H new ATOM 355 N ASN A 26 63.417 6.027 13.062 1.00 0.00 N ATOM 356 CA ASN A 26 64.058 6.947 14.066 1.00 0.00 C ATOM 357 C ASN A 26 64.897 6.162 15.046 1.00 0.00 C ATOM 358 O ASN A 26 65.487 6.730 15.969 1.00 0.00 O ATOM 359 CB ASN A 26 63.058 7.792 14.842 1.00 0.00 C ATOM 360 CG ASN A 26 62.272 8.699 13.889 1.00 0.00 C ATOM 361 OD1 ASN A 26 61.433 9.483 14.321 1.00 0.00 O ATOM 362 ND2 ASN A 26 62.543 8.667 12.612 1.00 0.00 N ATOM 0 H ASN A 26 62.582 5.549 13.400 1.00 0.00 H new ATOM 0 HA ASN A 26 64.681 7.627 13.485 1.00 0.00 H new ATOM 0 HB2 ASN A 26 62.371 7.145 15.387 1.00 0.00 H new ATOM 0 HB3 ASN A 26 63.581 8.398 15.582 1.00 0.00 H new ATOM 0 HD21 ASN A 26 62.057 9.295 11.972 1.00 0.00 H new ATOM 0 HD22 ASN A 26 63.241 8.014 12.255 1.00 0.00 H new ATOM 369 N ALA A 27 64.925 4.859 14.847 1.00 0.00 N ATOM 370 CA ALA A 27 65.672 3.975 15.703 1.00 0.00 C ATOM 371 C ALA A 27 67.126 4.440 15.775 1.00 0.00 C ATOM 372 O ALA A 27 67.558 4.980 16.794 1.00 0.00 O ATOM 373 CB ALA A 27 65.554 2.577 15.118 1.00 0.00 C ATOM 0 H ALA A 27 64.430 4.390 14.088 1.00 0.00 H new ATOM 0 HA ALA A 27 65.284 3.976 16.722 1.00 0.00 H new ATOM 0 HB1 ALA A 27 66.109 1.874 15.740 1.00 0.00 H new ATOM 0 HB2 ALA A 27 64.505 2.283 15.086 1.00 0.00 H new ATOM 0 HB3 ALA A 27 65.964 2.569 14.108 1.00 0.00 H new ATOM 379 N GLU A 28 67.862 4.228 14.696 1.00 0.00 N ATOM 380 CA GLU A 28 69.267 4.631 14.625 1.00 0.00 C ATOM 381 C GLU A 28 69.397 6.139 14.852 1.00 0.00 C ATOM 382 O GLU A 28 70.218 6.588 15.657 1.00 0.00 O ATOM 383 CB GLU A 28 69.826 4.316 13.224 1.00 0.00 C ATOM 384 CG GLU A 28 69.738 2.811 12.874 1.00 0.00 C ATOM 385 CD GLU A 28 70.725 1.945 13.664 1.00 0.00 C ATOM 386 OE1 GLU A 28 71.791 2.434 14.001 1.00 0.00 O ATOM 387 OE2 GLU A 28 70.389 0.802 13.920 1.00 0.00 O ATOM 0 H GLU A 28 67.512 3.777 13.851 1.00 0.00 H new ATOM 0 HA GLU A 28 69.819 4.087 15.392 1.00 0.00 H new ATOM 0 HB2 GLU A 28 69.276 4.891 12.479 1.00 0.00 H new ATOM 0 HB3 GLU A 28 70.866 4.638 13.171 1.00 0.00 H new ATOM 0 HG2 GLU A 28 68.724 2.460 13.065 1.00 0.00 H new ATOM 0 HG3 GLU A 28 69.925 2.682 11.808 1.00 0.00 H new ATOM 394 N ASP A 29 68.586 6.904 14.118 1.00 0.00 N ATOM 395 CA ASP A 29 68.600 8.371 14.205 1.00 0.00 C ATOM 396 C ASP A 29 67.840 8.861 15.446 1.00 0.00 C ATOM 397 O ASP A 29 67.717 8.118 16.422 1.00 0.00 O ATOM 398 CB ASP A 29 67.979 8.978 12.939 1.00 0.00 C ATOM 399 CG ASP A 29 68.432 8.205 11.703 1.00 0.00 C ATOM 400 OD1 ASP A 29 69.544 7.706 11.711 1.00 0.00 O ATOM 401 OD2 ASP A 29 67.655 8.132 10.763 1.00 0.00 O ATOM 0 H ASP A 29 67.908 6.532 13.453 1.00 0.00 H new ATOM 0 HA ASP A 29 69.637 8.695 14.291 1.00 0.00 H new ATOM 0 HB2 ASP A 29 66.892 8.955 13.012 1.00 0.00 H new ATOM 0 HB3 ASP A 29 68.270 10.024 12.849 1.00 0.00 H new ATOM 406 N TYR A 30 67.358 10.124 15.387 1.00 0.00 N ATOM 407 CA TYR A 30 66.622 10.769 16.496 1.00 0.00 C ATOM 408 C TYR A 30 65.120 10.871 16.210 1.00 0.00 C ATOM 409 O TYR A 30 64.678 10.776 15.065 1.00 0.00 O ATOM 410 CB TYR A 30 67.179 12.176 16.718 1.00 0.00 C ATOM 411 CG TYR A 30 68.634 12.079 17.193 1.00 0.00 C ATOM 412 CD1 TYR A 30 69.666 12.006 16.251 1.00 0.00 C ATOM 413 CD2 TYR A 30 68.930 12.060 18.561 1.00 0.00 C ATOM 414 CE1 TYR A 30 70.995 11.914 16.676 1.00 0.00 C ATOM 415 CE2 TYR A 30 70.261 11.970 18.986 1.00 0.00 C ATOM 416 CZ TYR A 30 71.295 11.898 18.046 1.00 0.00 C ATOM 417 OH TYR A 30 72.606 11.807 18.465 1.00 0.00 O ATOM 0 H TYR A 30 67.469 10.723 14.569 1.00 0.00 H new ATOM 0 HA TYR A 30 66.755 10.151 17.384 1.00 0.00 H new ATOM 0 HB2 TYR A 30 67.124 12.751 15.793 1.00 0.00 H new ATOM 0 HB3 TYR A 30 66.578 12.704 17.458 1.00 0.00 H new ATOM 0 HD1 TYR A 30 69.436 12.021 15.196 1.00 0.00 H new ATOM 0 HD2 TYR A 30 68.133 12.115 19.288 1.00 0.00 H new ATOM 0 HE1 TYR A 30 71.791 11.855 15.949 1.00 0.00 H new ATOM 0 HE2 TYR A 30 70.490 11.956 20.041 1.00 0.00 H new ATOM 0 HH TYR A 30 72.637 11.810 19.444 1.00 0.00 H new ATOM 427 N LYS A 31 64.352 11.068 17.284 1.00 0.00 N ATOM 428 CA LYS A 31 62.899 11.192 17.220 1.00 0.00 C ATOM 429 C LYS A 31 62.499 12.540 16.649 1.00 0.00 C ATOM 430 O LYS A 31 62.099 13.440 17.396 1.00 0.00 O ATOM 431 CB LYS A 31 62.316 11.035 18.644 1.00 0.00 C ATOM 432 CG LYS A 31 62.554 9.600 19.195 1.00 0.00 C ATOM 433 CD LYS A 31 61.945 9.449 20.617 1.00 0.00 C ATOM 434 CE LYS A 31 62.180 8.030 21.171 1.00 0.00 C ATOM 435 NZ LYS A 31 61.568 7.928 22.525 1.00 0.00 N ATOM 0 H LYS A 31 64.727 11.146 18.229 1.00 0.00 H new ATOM 0 HA LYS A 31 62.505 10.413 16.567 1.00 0.00 H new ATOM 0 HB2 LYS A 31 62.776 11.764 19.311 1.00 0.00 H new ATOM 0 HB3 LYS A 31 61.247 11.248 18.628 1.00 0.00 H new ATOM 0 HG2 LYS A 31 62.106 8.868 18.523 1.00 0.00 H new ATOM 0 HG3 LYS A 31 63.623 9.390 19.228 1.00 0.00 H new ATOM 0 HD2 LYS A 31 62.391 10.183 21.287 1.00 0.00 H new ATOM 0 HD3 LYS A 31 60.876 9.657 20.582 1.00 0.00 H new ATOM 0 HE2 LYS A 31 61.742 7.288 20.503 1.00 0.00 H new ATOM 0 HE3 LYS A 31 63.248 7.819 21.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 61.723 6.972 22.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 62.006 8.627 23.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 60.547 8.113 22.459 1.00 0.00 H new ATOM 449 N HIS A 32 62.603 12.641 15.316 1.00 0.00 N ATOM 450 CA HIS A 32 62.254 13.854 14.573 1.00 0.00 C ATOM 451 C HIS A 32 61.020 13.628 13.722 1.00 0.00 C ATOM 452 O HIS A 32 60.157 14.506 13.639 1.00 0.00 O ATOM 453 CB HIS A 32 63.410 14.253 13.661 1.00 0.00 C ATOM 454 CG HIS A 32 64.349 15.168 14.397 1.00 0.00 C ATOM 455 ND1 HIS A 32 65.279 14.700 15.308 1.00 0.00 N ATOM 456 CD2 HIS A 32 64.516 16.533 14.359 1.00 0.00 C ATOM 457 CE1 HIS A 32 65.960 15.759 15.781 1.00 0.00 C ATOM 458 NE2 HIS A 32 65.537 16.903 15.237 1.00 0.00 N ATOM 0 H HIS A 32 62.933 11.879 14.723 1.00 0.00 H new ATOM 0 HA HIS A 32 62.053 14.646 15.294 1.00 0.00 H new ATOM 0 HB2 HIS A 32 63.943 13.364 13.325 1.00 0.00 H new ATOM 0 HB3 HIS A 32 63.027 14.751 12.770 1.00 0.00 H new ATOM 0 HD2 HIS A 32 63.945 17.214 13.745 1.00 0.00 H new ATOM 0 HE1 HIS A 32 66.752 15.692 16.512 1.00 0.00 H new ATOM 0 HE2 HIS A 32 65.885 17.844 15.423 1.00 0.00 H new ATOM 466 N THR A 33 60.947 12.448 13.108 1.00 0.00 N ATOM 467 CA THR A 33 59.814 12.091 12.258 1.00 0.00 C ATOM 468 C THR A 33 58.704 11.518 13.116 1.00 0.00 C ATOM 469 O THR A 33 57.568 11.394 12.661 1.00 0.00 O ATOM 470 CB THR A 33 60.226 11.062 11.199 1.00 0.00 C ATOM 471 OG1 THR A 33 60.243 9.770 11.780 1.00 0.00 O ATOM 472 CG2 THR A 33 61.612 11.402 10.632 1.00 0.00 C ATOM 0 H THR A 33 61.660 11.723 13.184 1.00 0.00 H new ATOM 0 HA THR A 33 59.466 12.989 11.748 1.00 0.00 H new ATOM 0 HB THR A 33 59.505 11.084 10.382 1.00 0.00 H new ATOM 0 HG1 THR A 33 60.347 9.096 11.076 1.00 0.00 H new ATOM 0 HG21 THR A 33 61.890 10.662 9.882 1.00 0.00 H new ATOM 0 HG22 THR A 33 61.585 12.391 10.174 1.00 0.00 H new ATOM 0 HG23 THR A 33 62.346 11.395 11.437 1.00 0.00 H new ATOM 480 N ASP A 34 59.031 11.187 14.368 1.00 0.00 N ATOM 481 CA ASP A 34 58.013 10.651 15.275 1.00 0.00 C ATOM 482 C ASP A 34 56.992 11.720 15.607 1.00 0.00 C ATOM 483 O ASP A 34 55.797 11.445 15.708 1.00 0.00 O ATOM 484 CB ASP A 34 58.655 10.131 16.577 1.00 0.00 C ATOM 485 CG ASP A 34 59.155 8.679 16.463 1.00 0.00 C ATOM 486 OD1 ASP A 34 58.751 8.003 15.538 1.00 0.00 O ATOM 487 OD2 ASP A 34 59.861 8.253 17.356 1.00 0.00 O ATOM 0 H ASP A 34 59.965 11.277 14.768 1.00 0.00 H new ATOM 0 HA ASP A 34 57.518 9.820 14.772 1.00 0.00 H new ATOM 0 HB2 ASP A 34 59.490 10.777 16.847 1.00 0.00 H new ATOM 0 HB3 ASP A 34 57.927 10.196 17.386 1.00 0.00 H new ATOM 492 N MET A 35 57.473 12.936 15.783 1.00 0.00 N ATOM 493 CA MET A 35 56.593 14.047 16.112 1.00 0.00 C ATOM 494 C MET A 35 55.642 14.328 14.951 1.00 0.00 C ATOM 495 O MET A 35 54.454 14.576 15.162 1.00 0.00 O ATOM 496 CB MET A 35 57.424 15.303 16.422 1.00 0.00 C ATOM 497 CG MET A 35 58.085 15.193 17.810 1.00 0.00 C ATOM 498 SD MET A 35 56.901 15.648 19.117 1.00 0.00 S ATOM 499 CE MET A 35 57.338 17.398 19.298 1.00 0.00 C ATOM 0 H MET A 35 58.460 13.181 15.705 1.00 0.00 H new ATOM 0 HA MET A 35 56.007 13.781 16.992 1.00 0.00 H new ATOM 0 HB2 MET A 35 58.191 15.435 15.659 1.00 0.00 H new ATOM 0 HB3 MET A 35 56.785 16.185 16.388 1.00 0.00 H new ATOM 0 HG2 MET A 35 58.440 14.175 17.971 1.00 0.00 H new ATOM 0 HG3 MET A 35 58.957 15.846 17.857 1.00 0.00 H new ATOM 0 HE1 MET A 35 56.710 17.852 20.065 1.00 0.00 H new ATOM 0 HE2 MET A 35 58.385 17.483 19.589 1.00 0.00 H new ATOM 0 HE3 MET A 35 57.182 17.912 18.350 1.00 0.00 H new ATOM 509 N ASP A 36 56.182 14.276 13.731 1.00 0.00 N ATOM 510 CA ASP A 36 55.394 14.517 12.520 1.00 0.00 C ATOM 511 C ASP A 36 54.587 13.278 12.144 1.00 0.00 C ATOM 512 O ASP A 36 55.062 12.151 12.292 1.00 0.00 O ATOM 513 CB ASP A 36 56.329 14.893 11.364 1.00 0.00 C ATOM 514 CG ASP A 36 57.077 16.186 11.692 1.00 0.00 C ATOM 515 OD1 ASP A 36 56.417 17.171 11.977 1.00 0.00 O ATOM 516 OD2 ASP A 36 58.296 16.161 11.672 1.00 0.00 O ATOM 0 H ASP A 36 57.165 14.068 13.555 1.00 0.00 H new ATOM 0 HA ASP A 36 54.701 15.336 12.714 1.00 0.00 H new ATOM 0 HB2 ASP A 36 57.041 14.087 11.185 1.00 0.00 H new ATOM 0 HB3 ASP A 36 55.754 15.019 10.447 1.00 0.00 H new ATOM 521 N LEU A 37 53.365 13.501 11.654 1.00 0.00 N ATOM 522 CA LEU A 37 52.480 12.403 11.251 1.00 0.00 C ATOM 523 C LEU A 37 52.905 11.871 9.884 1.00 0.00 C ATOM 524 O LEU A 37 53.113 12.643 8.947 1.00 0.00 O ATOM 525 CB LEU A 37 51.018 12.900 11.153 1.00 0.00 C ATOM 526 CG LEU A 37 50.448 13.359 12.540 1.00 0.00 C ATOM 527 CD1 LEU A 37 49.100 14.075 12.349 1.00 0.00 C ATOM 528 CD2 LEU A 37 50.230 12.189 13.535 1.00 0.00 C ATOM 0 H LEU A 37 52.965 14.431 11.526 1.00 0.00 H new ATOM 0 HA LEU A 37 52.549 11.613 11.999 1.00 0.00 H new ATOM 0 HB2 LEU A 37 50.966 13.731 10.449 1.00 0.00 H new ATOM 0 HB3 LEU A 37 50.392 12.103 10.752 1.00 0.00 H new ATOM 0 HG LEU A 37 51.199 14.027 12.962 1.00 0.00 H new ATOM 0 HD11 LEU A 37 48.714 14.389 13.319 1.00 0.00 H new ATOM 0 HD12 LEU A 37 49.239 14.950 11.713 1.00 0.00 H new ATOM 0 HD13 LEU A 37 48.390 13.395 11.879 1.00 0.00 H new ATOM 0 HD21 LEU A 37 49.834 12.578 14.473 1.00 0.00 H new ATOM 0 HD22 LEU A 37 49.522 11.477 13.110 1.00 0.00 H new ATOM 0 HD23 LEU A 37 51.180 11.688 13.722 1.00 0.00 H new ATOM 540 N THR A 38 53.019 10.546 9.781 1.00 0.00 N ATOM 541 CA THR A 38 53.408 9.902 8.524 1.00 0.00 C ATOM 542 C THR A 38 52.238 9.904 7.546 1.00 0.00 C ATOM 543 O THR A 38 52.417 9.726 6.342 1.00 0.00 O ATOM 544 CB THR A 38 53.851 8.456 8.786 1.00 0.00 C ATOM 545 OG1 THR A 38 52.918 7.827 9.653 1.00 0.00 O ATOM 546 CG2 THR A 38 55.245 8.432 9.425 1.00 0.00 C ATOM 0 H THR A 38 52.848 9.899 10.550 1.00 0.00 H new ATOM 0 HA THR A 38 54.238 10.461 8.092 1.00 0.00 H new ATOM 0 HB THR A 38 53.891 7.920 7.838 1.00 0.00 H new ATOM 0 HG1 THR A 38 53.198 6.903 9.820 1.00 0.00 H new ATOM 0 HG21 THR A 38 55.545 7.400 9.605 1.00 0.00 H new ATOM 0 HG22 THR A 38 55.961 8.907 8.754 1.00 0.00 H new ATOM 0 HG23 THR A 38 55.221 8.973 10.371 1.00 0.00 H new ATOM 554 N TYR A 39 51.038 10.105 8.084 1.00 0.00 N ATOM 555 CA TYR A 39 49.825 10.131 7.270 1.00 0.00 C ATOM 556 C TYR A 39 49.891 11.247 6.230 1.00 0.00 C ATOM 557 O TYR A 39 49.522 11.051 5.072 1.00 0.00 O ATOM 558 CB TYR A 39 48.608 10.342 8.178 1.00 0.00 C ATOM 559 CG TYR A 39 47.335 10.491 7.334 1.00 0.00 C ATOM 560 CD1 TYR A 39 46.683 9.344 6.858 1.00 0.00 C ATOM 561 CD2 TYR A 39 46.820 11.757 7.037 1.00 0.00 C ATOM 562 CE1 TYR A 39 45.519 9.467 6.094 1.00 0.00 C ATOM 563 CE2 TYR A 39 45.659 11.880 6.272 1.00 0.00 C ATOM 564 CZ TYR A 39 45.007 10.736 5.797 1.00 0.00 C ATOM 565 OH TYR A 39 43.859 10.856 5.042 1.00 0.00 O ATOM 0 H TYR A 39 50.879 10.252 9.081 1.00 0.00 H new ATOM 0 HA TYR A 39 49.736 9.179 6.746 1.00 0.00 H new ATOM 0 HB2 TYR A 39 48.504 9.498 8.860 1.00 0.00 H new ATOM 0 HB3 TYR A 39 48.753 11.232 8.791 1.00 0.00 H new ATOM 0 HD1 TYR A 39 47.081 8.365 7.082 1.00 0.00 H new ATOM 0 HD2 TYR A 39 47.322 12.642 7.400 1.00 0.00 H new ATOM 0 HE1 TYR A 39 45.014 8.583 5.733 1.00 0.00 H new ATOM 0 HE2 TYR A 39 45.263 12.859 6.046 1.00 0.00 H new ATOM 0 HH TYR A 39 43.639 11.804 4.929 1.00 0.00 H new ATOM 575 N THR A 40 50.351 12.419 6.654 1.00 0.00 N ATOM 576 CA THR A 40 50.443 13.564 5.752 1.00 0.00 C ATOM 577 C THR A 40 51.430 13.285 4.620 1.00 0.00 C ATOM 578 O THR A 40 51.225 13.737 3.493 1.00 0.00 O ATOM 579 CB THR A 40 50.893 14.814 6.521 1.00 0.00 C ATOM 580 OG1 THR A 40 52.021 14.494 7.321 1.00 0.00 O ATOM 581 CG2 THR A 40 49.757 15.336 7.413 1.00 0.00 C ATOM 0 H THR A 40 50.664 12.602 7.608 1.00 0.00 H new ATOM 0 HA THR A 40 49.454 13.736 5.326 1.00 0.00 H new ATOM 0 HB THR A 40 51.158 15.592 5.805 1.00 0.00 H new ATOM 0 HG1 THR A 40 52.311 15.291 7.812 1.00 0.00 H new ATOM 0 HG21 THR A 40 50.094 16.222 7.950 1.00 0.00 H new ATOM 0 HG22 THR A 40 48.897 15.592 6.794 1.00 0.00 H new ATOM 0 HG23 THR A 40 49.472 14.564 8.128 1.00 0.00 H new ATOM 589 N ASP A 41 52.495 12.544 4.936 1.00 0.00 N ATOM 590 CA ASP A 41 53.521 12.200 3.947 1.00 0.00 C ATOM 591 C ASP A 41 54.320 10.983 4.406 1.00 0.00 C ATOM 592 O ASP A 41 55.187 11.086 5.274 1.00 0.00 O ATOM 593 CB ASP A 41 54.465 13.389 3.727 1.00 0.00 C ATOM 594 CG ASP A 41 55.518 13.032 2.682 1.00 0.00 C ATOM 595 OD1 ASP A 41 55.135 12.741 1.562 1.00 0.00 O ATOM 596 OD2 ASP A 41 56.691 13.063 3.019 1.00 0.00 O ATOM 0 H ASP A 41 52.670 12.170 5.869 1.00 0.00 H new ATOM 0 HA ASP A 41 53.025 11.960 3.007 1.00 0.00 H new ATOM 0 HB2 ASP A 41 53.897 14.260 3.400 1.00 0.00 H new ATOM 0 HB3 ASP A 41 54.949 13.658 4.666 1.00 0.00 H new ATOM 601 N ARG A 42 54.019 9.828 3.811 1.00 0.00 N ATOM 602 CA ARG A 42 54.711 8.589 4.158 1.00 0.00 C ATOM 603 C ARG A 42 56.137 8.619 3.614 1.00 0.00 C ATOM 604 O ARG A 42 56.382 9.119 2.516 1.00 0.00 O ATOM 605 CB ARG A 42 53.963 7.379 3.565 1.00 0.00 C ATOM 606 CG ARG A 42 52.603 7.165 4.280 1.00 0.00 C ATOM 607 CD ARG A 42 51.791 6.042 3.606 1.00 0.00 C ATOM 608 NE ARG A 42 50.553 5.820 4.347 1.00 0.00 N ATOM 609 CZ ARG A 42 49.650 4.939 3.940 1.00 0.00 C ATOM 610 NH1 ARG A 42 49.858 4.240 2.860 1.00 0.00 N ATOM 611 NH2 ARG A 42 48.550 4.773 4.621 1.00 0.00 N ATOM 0 H ARG A 42 53.304 9.726 3.090 1.00 0.00 H new ATOM 0 HA ARG A 42 54.739 8.497 5.244 1.00 0.00 H new ATOM 0 HB2 ARG A 42 53.797 7.535 2.499 1.00 0.00 H new ATOM 0 HB3 ARG A 42 54.576 6.483 3.664 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.775 6.915 5.327 1.00 0.00 H new ATOM 0 HG3 ARG A 42 52.030 8.092 4.263 1.00 0.00 H new ATOM 0 HD2 ARG A 42 51.566 6.312 2.574 1.00 0.00 H new ATOM 0 HD3 ARG A 42 52.378 5.124 3.575 1.00 0.00 H new ATOM 0 HE ARG A 42 50.379 6.355 5.198 1.00 0.00 H new ATOM 0 HH11 ARG A 42 50.717 4.370 2.326 1.00 0.00 H new ATOM 0 HH12 ARG A 42 49.162 3.563 2.549 1.00 0.00 H new ATOM 0 HH21 ARG A 42 48.385 5.321 5.466 1.00 0.00 H new ATOM 0 HH22 ARG A 42 47.854 4.095 4.309 1.00 0.00 H new ATOM 625 N ASP A 43 57.074 8.090 4.395 1.00 0.00 N ATOM 626 CA ASP A 43 58.475 8.071 3.985 1.00 0.00 C ATOM 627 C ASP A 43 58.680 7.158 2.783 1.00 0.00 C ATOM 628 O ASP A 43 58.105 6.071 2.710 1.00 0.00 O ATOM 629 CB ASP A 43 59.352 7.589 5.142 1.00 0.00 C ATOM 630 CG ASP A 43 60.825 7.668 4.754 1.00 0.00 C ATOM 631 OD1 ASP A 43 61.286 8.764 4.477 1.00 0.00 O ATOM 632 OD2 ASP A 43 61.469 6.632 4.743 1.00 0.00 O ATOM 0 H ASP A 43 56.892 7.672 5.307 1.00 0.00 H new ATOM 0 HA ASP A 43 58.758 9.086 3.706 1.00 0.00 H new ATOM 0 HB2 ASP A 43 59.168 8.199 6.026 1.00 0.00 H new ATOM 0 HB3 ASP A 43 59.091 6.563 5.403 1.00 0.00 H new ATOM 637 N TYR A 44 59.512 7.615 1.849 1.00 0.00 N ATOM 638 CA TYR A 44 59.812 6.850 0.641 1.00 0.00 C ATOM 639 C TYR A 44 60.797 5.728 0.957 1.00 0.00 C ATOM 640 O TYR A 44 61.856 5.970 1.536 1.00 0.00 O ATOM 641 CB TYR A 44 60.419 7.778 -0.415 1.00 0.00 C ATOM 642 CG TYR A 44 60.428 7.075 -1.779 1.00 0.00 C ATOM 643 CD1 TYR A 44 59.278 7.112 -2.582 1.00 0.00 C ATOM 644 CD2 TYR A 44 61.573 6.408 -2.230 1.00 0.00 C ATOM 645 CE1 TYR A 44 59.277 6.480 -3.829 1.00 0.00 C ATOM 646 CE2 TYR A 44 61.571 5.775 -3.480 1.00 0.00 C ATOM 647 CZ TYR A 44 60.425 5.810 -4.281 1.00 0.00 C ATOM 648 OH TYR A 44 60.422 5.189 -5.513 1.00 0.00 O ATOM 0 H TYR A 44 59.991 8.514 1.906 1.00 0.00 H new ATOM 0 HA TYR A 44 58.888 6.414 0.261 1.00 0.00 H new ATOM 0 HB2 TYR A 44 59.843 8.702 -0.475 1.00 0.00 H new ATOM 0 HB3 TYR A 44 61.435 8.053 -0.130 1.00 0.00 H new ATOM 0 HD1 TYR A 44 58.394 7.628 -2.237 1.00 0.00 H new ATOM 0 HD2 TYR A 44 62.459 6.381 -1.614 1.00 0.00 H new ATOM 0 HE1 TYR A 44 58.391 6.507 -4.446 1.00 0.00 H new ATOM 0 HE2 TYR A 44 62.455 5.260 -3.825 1.00 0.00 H new ATOM 0 HH TYR A 44 61.295 4.774 -5.672 1.00 0.00 H new ATOM 658 N LYS A 45 60.442 4.505 0.570 1.00 0.00 N ATOM 659 CA LYS A 45 61.306 3.351 0.817 1.00 0.00 C ATOM 660 C LYS A 45 62.531 3.412 -0.090 1.00 0.00 C ATOM 661 O LYS A 45 62.413 3.691 -1.285 1.00 0.00 O ATOM 662 CB LYS A 45 60.537 2.040 0.548 1.00 0.00 C ATOM 663 CG LYS A 45 59.392 1.840 1.580 1.00 0.00 C ATOM 664 CD LYS A 45 58.581 0.555 1.263 1.00 0.00 C ATOM 665 CE LYS A 45 57.457 0.340 2.295 1.00 0.00 C ATOM 666 NZ LYS A 45 56.697 -0.891 1.939 1.00 0.00 N ATOM 0 H LYS A 45 59.570 4.287 0.088 1.00 0.00 H new ATOM 0 HA LYS A 45 61.624 3.374 1.859 1.00 0.00 H new ATOM 0 HB2 LYS A 45 60.123 2.058 -0.460 1.00 0.00 H new ATOM 0 HB3 LYS A 45 61.225 1.195 0.595 1.00 0.00 H new ATOM 0 HG2 LYS A 45 59.810 1.773 2.585 1.00 0.00 H new ATOM 0 HG3 LYS A 45 58.730 2.706 1.567 1.00 0.00 H new ATOM 0 HD2 LYS A 45 58.152 0.629 0.264 1.00 0.00 H new ATOM 0 HD3 LYS A 45 59.247 -0.308 1.261 1.00 0.00 H new ATOM 0 HE2 LYS A 45 57.878 0.245 3.296 1.00 0.00 H new ATOM 0 HE3 LYS A 45 56.790 1.202 2.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 55.936 -1.042 2.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 56.285 -0.782 0.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 57.339 -1.709 1.946 1.00 0.00 H new ATOM 680 N ASN A 46 63.703 3.149 0.491 1.00 0.00 N ATOM 681 CA ASN A 46 64.961 3.176 -0.256 1.00 0.00 C ATOM 682 C ASN A 46 65.122 1.904 -1.084 1.00 0.00 C ATOM 683 O ASN A 46 65.409 0.834 -0.546 1.00 0.00 O ATOM 684 CB ASN A 46 66.135 3.301 0.719 1.00 0.00 C ATOM 685 CG ASN A 46 66.051 4.628 1.467 1.00 0.00 C ATOM 686 OD1 ASN A 46 66.013 5.689 0.847 1.00 0.00 O ATOM 687 ND2 ASN A 46 66.002 4.629 2.772 1.00 0.00 N ATOM 0 H ASN A 46 63.807 2.915 1.478 1.00 0.00 H new ATOM 0 HA ASN A 46 64.947 4.033 -0.929 1.00 0.00 H new ATOM 0 HB2 ASN A 46 66.120 2.473 1.428 1.00 0.00 H new ATOM 0 HB3 ASN A 46 67.078 3.239 0.176 1.00 0.00 H new ATOM 0 HD21 ASN A 46 65.932 5.511 3.279 1.00 0.00 H new ATOM 0 HD22 ASN A 46 66.034 3.748 3.284 1.00 0.00 H new ATOM 694 N CYS A 47 64.936 2.029 -2.394 1.00 0.00 N ATOM 695 CA CYS A 47 65.064 0.885 -3.287 1.00 0.00 C ATOM 696 C CYS A 47 66.501 0.378 -3.304 1.00 0.00 C ATOM 697 O CYS A 47 66.745 -0.830 -3.319 1.00 0.00 O ATOM 698 CB CYS A 47 64.643 1.279 -4.703 1.00 0.00 C ATOM 699 SG CYS A 47 62.875 1.658 -4.723 1.00 0.00 S ATOM 0 H CYS A 47 64.698 2.906 -2.858 1.00 0.00 H new ATOM 0 HA CYS A 47 64.414 0.089 -2.923 1.00 0.00 H new ATOM 0 HB2 CYS A 47 65.215 2.145 -5.036 1.00 0.00 H new ATOM 0 HB3 CYS A 47 64.860 0.467 -5.397 1.00 0.00 H new ATOM 0 HG CYS A 47 62.517 1.995 -5.926 1.00 0.00 H new ATOM 705 N GLU A 48 67.451 1.307 -3.301 1.00 0.00 N ATOM 706 CA GLU A 48 68.862 0.939 -3.316 1.00 0.00 C ATOM 707 C GLU A 48 69.237 0.263 -2.003 1.00 0.00 C ATOM 708 O GLU A 48 68.749 0.651 -0.939 1.00 0.00 O ATOM 709 CB GLU A 48 69.743 2.187 -3.513 1.00 0.00 C ATOM 710 CG GLU A 48 69.553 2.788 -4.923 1.00 0.00 C ATOM 711 CD GLU A 48 70.357 4.083 -5.071 1.00 0.00 C ATOM 712 OE1 GLU A 48 71.117 4.400 -4.172 1.00 0.00 O ATOM 713 OE2 GLU A 48 70.201 4.730 -6.094 1.00 0.00 O ATOM 0 H GLU A 48 67.272 2.311 -3.288 1.00 0.00 H new ATOM 0 HA GLU A 48 69.028 0.250 -4.144 1.00 0.00 H new ATOM 0 HB2 GLU A 48 69.493 2.934 -2.760 1.00 0.00 H new ATOM 0 HB3 GLU A 48 70.790 1.923 -3.365 1.00 0.00 H new ATOM 0 HG2 GLU A 48 69.871 2.068 -5.677 1.00 0.00 H new ATOM 0 HG3 GLU A 48 68.496 2.988 -5.099 1.00 0.00 H new ATOM 720 N SER A 49 70.102 -0.750 -2.092 1.00 0.00 N ATOM 721 CA SER A 49 70.550 -1.491 -0.912 1.00 0.00 C ATOM 722 C SER A 49 71.854 -2.226 -1.209 1.00 0.00 C ATOM 723 O SER A 49 72.198 -2.444 -2.371 1.00 0.00 O ATOM 724 CB SER A 49 69.478 -2.497 -0.494 1.00 0.00 C ATOM 725 OG SER A 49 69.163 -3.332 -1.599 1.00 0.00 O ATOM 0 H SER A 49 70.506 -1.076 -2.970 1.00 0.00 H new ATOM 0 HA SER A 49 70.721 -0.784 -0.100 1.00 0.00 H new ATOM 0 HB2 SER A 49 69.834 -3.099 0.342 1.00 0.00 H new ATOM 0 HB3 SER A 49 68.585 -1.974 -0.152 1.00 0.00 H new ATOM 0 HG SER A 49 68.477 -3.980 -1.334 1.00 0.00 H new ATOM 731 N TYR A 50 72.567 -2.602 -0.144 1.00 0.00 N ATOM 732 CA TYR A 50 73.838 -3.319 -0.271 1.00 0.00 C ATOM 733 C TYR A 50 74.154 -4.026 1.046 1.00 0.00 C ATOM 734 O TYR A 50 73.789 -3.539 2.110 1.00 0.00 O ATOM 735 CB TYR A 50 74.962 -2.335 -0.640 1.00 0.00 C ATOM 736 CG TYR A 50 76.302 -3.071 -0.739 1.00 0.00 C ATOM 737 CD1 TYR A 50 76.561 -3.867 -1.862 1.00 0.00 C ATOM 738 CD2 TYR A 50 77.259 -2.963 0.279 1.00 0.00 C ATOM 739 CE1 TYR A 50 77.778 -4.549 -1.970 1.00 0.00 C ATOM 740 CE2 TYR A 50 78.479 -3.646 0.168 1.00 0.00 C ATOM 741 CZ TYR A 50 78.737 -4.441 -0.954 1.00 0.00 C ATOM 742 OH TYR A 50 79.937 -5.115 -1.063 1.00 0.00 O ATOM 0 H TYR A 50 72.284 -2.421 0.819 1.00 0.00 H new ATOM 0 HA TYR A 50 73.760 -4.064 -1.063 1.00 0.00 H new ATOM 0 HB2 TYR A 50 74.734 -1.851 -1.590 1.00 0.00 H new ATOM 0 HB3 TYR A 50 75.026 -1.548 0.111 1.00 0.00 H new ATOM 0 HD1 TYR A 50 75.822 -3.954 -2.644 1.00 0.00 H new ATOM 0 HD2 TYR A 50 77.057 -2.354 1.148 1.00 0.00 H new ATOM 0 HE1 TYR A 50 77.979 -5.160 -2.838 1.00 0.00 H new ATOM 0 HE2 TYR A 50 79.220 -3.558 0.949 1.00 0.00 H new ATOM 0 HH TYR A 50 80.488 -4.931 -0.274 1.00 0.00 H new ATOM 752 N HIS A 51 74.806 -5.195 0.955 1.00 0.00 N ATOM 753 CA HIS A 51 75.168 -6.019 2.135 1.00 0.00 C ATOM 754 C HIS A 51 73.938 -6.648 2.819 1.00 0.00 C ATOM 755 O HIS A 51 74.103 -7.519 3.674 1.00 0.00 O ATOM 756 CB HIS A 51 75.952 -5.197 3.177 1.00 0.00 C ATOM 757 CG HIS A 51 76.916 -6.084 3.922 1.00 0.00 C ATOM 758 ND1 HIS A 51 76.494 -7.040 4.836 1.00 0.00 N ATOM 759 CD2 HIS A 51 78.287 -6.141 3.930 1.00 0.00 C ATOM 760 CE1 HIS A 51 77.591 -7.626 5.345 1.00 0.00 C ATOM 761 NE2 HIS A 51 78.711 -7.115 4.829 1.00 0.00 N ATOM 0 H HIS A 51 75.100 -5.601 0.067 1.00 0.00 H new ATOM 0 HA HIS A 51 75.797 -6.822 1.752 1.00 0.00 H new ATOM 0 HB2 HIS A 51 76.495 -4.392 2.682 1.00 0.00 H new ATOM 0 HB3 HIS A 51 75.260 -4.730 3.878 1.00 0.00 H new ATOM 0 HD1 HIS A 51 75.527 -7.258 5.077 1.00 0.00 H new ATOM 0 HD2 HIS A 51 78.938 -5.523 3.329 1.00 0.00 H new ATOM 0 HE1 HIS A 51 77.569 -8.415 6.082 1.00 0.00 H new ATOM 769 N LYS A 52 72.726 -6.226 2.408 1.00 0.00 N ATOM 770 CA LYS A 52 71.456 -6.732 2.940 1.00 0.00 C ATOM 771 C LYS A 52 71.477 -6.926 4.458 1.00 0.00 C ATOM 772 O LYS A 52 71.795 -8.017 4.935 1.00 0.00 O ATOM 773 CB LYS A 52 71.104 -8.062 2.270 1.00 0.00 C ATOM 774 CG LYS A 52 70.831 -7.871 0.752 1.00 0.00 C ATOM 775 CD LYS A 52 70.537 -9.234 0.072 1.00 0.00 C ATOM 776 CE LYS A 52 70.285 -9.046 -1.435 1.00 0.00 C ATOM 777 NZ LYS A 52 70.013 -10.377 -2.052 1.00 0.00 N ATOM 0 H LYS A 52 72.606 -5.514 1.687 1.00 0.00 H new ATOM 0 HA LYS A 52 70.702 -5.977 2.718 1.00 0.00 H new ATOM 0 HB2 LYS A 52 71.921 -8.770 2.409 1.00 0.00 H new ATOM 0 HB3 LYS A 52 70.225 -8.492 2.749 1.00 0.00 H new ATOM 0 HG2 LYS A 52 69.985 -7.199 0.611 1.00 0.00 H new ATOM 0 HG3 LYS A 52 71.693 -7.401 0.279 1.00 0.00 H new ATOM 0 HD2 LYS A 52 71.378 -9.911 0.224 1.00 0.00 H new ATOM 0 HD3 LYS A 52 69.667 -9.698 0.536 1.00 0.00 H new ATOM 0 HE2 LYS A 52 69.439 -8.377 -1.595 1.00 0.00 H new ATOM 0 HE3 LYS A 52 71.151 -8.582 -1.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 69.842 -10.259 -3.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 70.833 -11.000 -1.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 69.174 -10.801 -1.607 1.00 0.00 H new ATOM 791 N CYS A 53 71.171 -5.848 5.193 1.00 0.00 N ATOM 792 CA CYS A 53 71.165 -5.852 6.672 1.00 0.00 C ATOM 793 C CYS A 53 70.481 -7.090 7.272 1.00 0.00 C ATOM 794 O CYS A 53 69.733 -7.804 6.601 1.00 0.00 O ATOM 795 CB CYS A 53 70.456 -4.591 7.185 1.00 0.00 C ATOM 796 SG CYS A 53 69.171 -4.089 6.012 1.00 0.00 S ATOM 0 H CYS A 53 70.920 -4.947 4.785 1.00 0.00 H new ATOM 0 HA CYS A 53 72.207 -5.873 6.990 1.00 0.00 H new ATOM 0 HB2 CYS A 53 70.014 -4.784 8.162 1.00 0.00 H new ATOM 0 HB3 CYS A 53 71.178 -3.784 7.315 1.00 0.00 H new ATOM 0 HG CYS A 53 68.864 -2.842 6.213 1.00 0.00 H new ATOM 802 N SER A 54 70.762 -7.338 8.549 1.00 0.00 N ATOM 803 CA SER A 54 70.202 -8.490 9.247 1.00 0.00 C ATOM 804 C SER A 54 68.678 -8.448 9.269 1.00 0.00 C ATOM 805 O SER A 54 68.039 -9.489 9.095 1.00 0.00 O ATOM 806 CB SER A 54 70.737 -8.539 10.678 1.00 0.00 C ATOM 807 OG SER A 54 72.146 -8.724 10.643 1.00 0.00 O ATOM 0 H SER A 54 71.374 -6.756 9.121 1.00 0.00 H new ATOM 0 HA SER A 54 70.505 -9.387 8.708 1.00 0.00 H new ATOM 0 HB2 SER A 54 70.492 -7.615 11.203 1.00 0.00 H new ATOM 0 HB3 SER A 54 70.265 -9.353 11.228 1.00 0.00 H new ATOM 0 HG SER A 54 72.495 -8.754 11.558 1.00 0.00 H new ATOM 813 N ASP A 55 68.123 -7.241 9.486 1.00 0.00 N ATOM 814 CA ASP A 55 66.677 -7.023 9.546 1.00 0.00 C ATOM 815 C ASP A 55 66.232 -6.099 8.414 1.00 0.00 C ATOM 816 O ASP A 55 65.831 -6.568 7.348 1.00 0.00 O ATOM 817 CB ASP A 55 66.324 -6.404 10.906 1.00 0.00 C ATOM 818 CG ASP A 55 66.454 -7.453 12.005 1.00 0.00 C ATOM 819 OD1 ASP A 55 65.648 -8.364 12.028 1.00 0.00 O ATOM 820 OD2 ASP A 55 67.359 -7.318 12.814 1.00 0.00 O ATOM 0 H ASP A 55 68.671 -6.392 9.624 1.00 0.00 H new ATOM 0 HA ASP A 55 66.160 -7.975 9.431 1.00 0.00 H new ATOM 0 HB2 ASP A 55 66.985 -5.563 11.115 1.00 0.00 H new ATOM 0 HB3 ASP A 55 65.307 -6.012 10.884 1.00 0.00 H new ATOM 825 N LEU A 56 66.268 -4.788 8.669 1.00 0.00 N ATOM 826 CA LEU A 56 65.838 -3.784 7.705 1.00 0.00 C ATOM 827 C LEU A 56 66.397 -2.403 8.066 1.00 0.00 C ATOM 828 O LEU A 56 65.980 -1.382 7.518 1.00 0.00 O ATOM 829 CB LEU A 56 64.304 -3.745 7.681 1.00 0.00 C ATOM 830 CG LEU A 56 63.693 -3.453 9.112 1.00 0.00 C ATOM 831 CD1 LEU A 56 63.025 -2.069 9.167 1.00 0.00 C ATOM 832 CD2 LEU A 56 62.630 -4.504 9.486 1.00 0.00 C ATOM 0 H LEU A 56 66.597 -4.398 9.552 1.00 0.00 H new ATOM 0 HA LEU A 56 66.218 -4.049 6.718 1.00 0.00 H new ATOM 0 HB2 LEU A 56 63.972 -2.977 6.982 1.00 0.00 H new ATOM 0 HB3 LEU A 56 63.923 -4.697 7.312 1.00 0.00 H new ATOM 0 HG LEU A 56 64.524 -3.491 9.816 1.00 0.00 H new ATOM 0 HD11 LEU A 56 62.616 -1.902 10.164 1.00 0.00 H new ATOM 0 HD12 LEU A 56 63.764 -1.299 8.944 1.00 0.00 H new ATOM 0 HD13 LEU A 56 62.221 -2.024 8.433 1.00 0.00 H new ATOM 0 HD21 LEU A 56 62.227 -4.279 10.474 1.00 0.00 H new ATOM 0 HD22 LEU A 56 61.824 -4.484 8.752 1.00 0.00 H new ATOM 0 HD23 LEU A 56 63.085 -5.494 9.497 1.00 0.00 H new ATOM 844 N CYS A 57 67.343 -2.396 8.992 1.00 0.00 N ATOM 845 CA CYS A 57 67.959 -1.169 9.441 1.00 0.00 C ATOM 846 C CYS A 57 68.852 -0.651 8.333 1.00 0.00 C ATOM 847 O CYS A 57 69.663 -1.387 7.774 1.00 0.00 O ATOM 848 CB CYS A 57 68.712 -1.459 10.734 1.00 0.00 C ATOM 849 SG CYS A 57 69.960 -0.182 11.076 1.00 0.00 S ATOM 0 H CYS A 57 67.699 -3.236 9.447 1.00 0.00 H new ATOM 0 HA CYS A 57 67.226 -0.391 9.657 1.00 0.00 H new ATOM 0 HB2 CYS A 57 68.007 -1.512 11.563 1.00 0.00 H new ATOM 0 HB3 CYS A 57 69.196 -2.433 10.664 1.00 0.00 H new ATOM 0 HG CYS A 57 71.107 -0.748 11.309 1.00 0.00 H new ATOM 854 N GLN A 58 68.618 0.586 7.945 1.00 0.00 N ATOM 855 CA GLN A 58 69.332 1.153 6.818 1.00 0.00 C ATOM 856 C GLN A 58 70.837 1.306 7.051 1.00 0.00 C ATOM 857 O GLN A 58 71.628 0.952 6.187 1.00 0.00 O ATOM 858 CB GLN A 58 68.760 2.538 6.466 1.00 0.00 C ATOM 859 CG GLN A 58 67.298 2.452 5.973 1.00 0.00 C ATOM 860 CD GLN A 58 66.756 3.861 5.722 1.00 0.00 C ATOM 861 OE1 GLN A 58 67.504 4.833 5.792 1.00 0.00 O ATOM 862 NE2 GLN A 58 65.490 4.026 5.448 1.00 0.00 N ATOM 0 H GLN A 58 67.946 1.213 8.388 1.00 0.00 H new ATOM 0 HA GLN A 58 69.193 0.444 6.002 1.00 0.00 H new ATOM 0 HB2 GLN A 58 68.810 3.184 7.342 1.00 0.00 H new ATOM 0 HB3 GLN A 58 69.376 2.999 5.694 1.00 0.00 H new ATOM 0 HG2 GLN A 58 67.247 1.863 5.057 1.00 0.00 H new ATOM 0 HG3 GLN A 58 66.683 1.942 6.715 1.00 0.00 H new ATOM 0 HE21 GLN A 58 64.871 3.217 5.390 1.00 0.00 H new ATOM 0 HE22 GLN A 58 65.120 4.964 5.291 1.00 0.00 H new ATOM 871 N TYR A 59 71.236 1.884 8.176 1.00 0.00 N ATOM 872 CA TYR A 59 72.651 2.135 8.448 1.00 0.00 C ATOM 873 C TYR A 59 73.428 0.864 8.719 1.00 0.00 C ATOM 874 O TYR A 59 74.650 0.838 8.572 1.00 0.00 O ATOM 875 CB TYR A 59 72.787 3.071 9.648 1.00 0.00 C ATOM 876 CG TYR A 59 72.316 4.479 9.254 1.00 0.00 C ATOM 877 CD1 TYR A 59 70.951 4.784 9.301 1.00 0.00 C ATOM 878 CD2 TYR A 59 73.238 5.450 8.854 1.00 0.00 C ATOM 879 CE1 TYR A 59 70.510 6.066 8.949 1.00 0.00 C ATOM 880 CE2 TYR A 59 72.794 6.733 8.501 1.00 0.00 C ATOM 881 CZ TYR A 59 71.429 7.038 8.548 1.00 0.00 C ATOM 882 OH TYR A 59 70.992 8.301 8.202 1.00 0.00 O ATOM 0 H TYR A 59 70.603 2.189 8.916 1.00 0.00 H new ATOM 0 HA TYR A 59 73.071 2.593 7.553 1.00 0.00 H new ATOM 0 HB2 TYR A 59 72.194 2.698 10.483 1.00 0.00 H new ATOM 0 HB3 TYR A 59 73.824 3.103 9.982 1.00 0.00 H new ATOM 0 HD1 TYR A 59 70.239 4.032 9.608 1.00 0.00 H new ATOM 0 HD2 TYR A 59 74.291 5.213 8.817 1.00 0.00 H new ATOM 0 HE1 TYR A 59 69.457 6.303 8.988 1.00 0.00 H new ATOM 0 HE2 TYR A 59 73.505 7.485 8.193 1.00 0.00 H new ATOM 0 HH TYR A 59 71.760 8.855 7.949 1.00 0.00 H new ATOM 892 N CYS A 60 72.728 -0.186 9.122 1.00 0.00 N ATOM 893 CA CYS A 60 73.382 -1.444 9.412 1.00 0.00 C ATOM 894 C CYS A 60 74.072 -2.002 8.172 1.00 0.00 C ATOM 895 O CYS A 60 74.973 -2.833 8.271 1.00 0.00 O ATOM 896 CB CYS A 60 72.364 -2.448 9.910 1.00 0.00 C ATOM 897 SG CYS A 60 72.312 -2.483 11.736 1.00 0.00 S ATOM 0 H CYS A 60 71.717 -0.189 9.253 1.00 0.00 H new ATOM 0 HA CYS A 60 74.135 -1.265 10.179 1.00 0.00 H new ATOM 0 HB2 CYS A 60 71.378 -2.195 9.520 1.00 0.00 H new ATOM 0 HB3 CYS A 60 72.611 -3.440 9.531 1.00 0.00 H new ATOM 0 HG CYS A 60 72.610 -1.306 12.201 1.00 0.00 H new ATOM 902 N ARG A 61 73.626 -1.549 7.007 1.00 0.00 N ATOM 903 CA ARG A 61 74.184 -2.014 5.740 1.00 0.00 C ATOM 904 C ARG A 61 75.684 -1.717 5.658 1.00 0.00 C ATOM 905 O ARG A 61 76.463 -2.546 5.186 1.00 0.00 O ATOM 906 CB ARG A 61 73.485 -1.282 4.583 1.00 0.00 C ATOM 907 CG ARG A 61 72.027 -1.776 4.423 1.00 0.00 C ATOM 908 CD ARG A 61 71.263 -0.922 3.397 1.00 0.00 C ATOM 909 NE ARG A 61 69.918 -1.469 3.216 1.00 0.00 N ATOM 910 CZ ARG A 61 68.988 -0.837 2.506 1.00 0.00 C ATOM 911 NH1 ARG A 61 69.264 0.308 1.946 1.00 0.00 N ATOM 912 NH2 ARG A 61 67.801 -1.364 2.371 1.00 0.00 N ATOM 0 H ARG A 61 72.880 -0.860 6.912 1.00 0.00 H new ATOM 0 HA ARG A 61 74.028 -3.091 5.673 1.00 0.00 H new ATOM 0 HB2 ARG A 61 73.492 -0.208 4.769 1.00 0.00 H new ATOM 0 HB3 ARG A 61 74.034 -1.449 3.656 1.00 0.00 H new ATOM 0 HG2 ARG A 61 72.026 -2.819 4.106 1.00 0.00 H new ATOM 0 HG3 ARG A 61 71.518 -1.735 5.386 1.00 0.00 H new ATOM 0 HD2 ARG A 61 71.204 0.111 3.739 1.00 0.00 H new ATOM 0 HD3 ARG A 61 71.795 -0.913 2.446 1.00 0.00 H new ATOM 0 HE ARG A 61 69.686 -2.363 3.648 1.00 0.00 H new ATOM 0 HH11 ARG A 61 70.192 0.717 2.053 1.00 0.00 H new ATOM 0 HH12 ARG A 61 68.552 0.794 1.401 1.00 0.00 H new ATOM 0 HH21 ARG A 61 67.588 -2.260 2.810 1.00 0.00 H new ATOM 0 HH22 ARG A 61 67.087 -0.880 1.827 1.00 0.00 H new ATOM 926 N TYR A 62 76.057 -0.522 6.112 1.00 0.00 N ATOM 927 CA TYR A 62 77.455 -0.080 6.088 1.00 0.00 C ATOM 928 C TYR A 62 78.233 -0.655 7.259 1.00 0.00 C ATOM 929 O TYR A 62 79.252 -1.321 7.062 1.00 0.00 O ATOM 930 CB TYR A 62 77.518 1.449 6.146 1.00 0.00 C ATOM 931 CG TYR A 62 76.892 2.034 4.873 1.00 0.00 C ATOM 932 CD1 TYR A 62 77.670 2.185 3.721 1.00 0.00 C ATOM 933 CD2 TYR A 62 75.541 2.411 4.862 1.00 0.00 C ATOM 934 CE1 TYR A 62 77.101 2.714 2.556 1.00 0.00 C ATOM 935 CE2 TYR A 62 74.976 2.944 3.698 1.00 0.00 C ATOM 936 CZ TYR A 62 75.751 3.093 2.546 1.00 0.00 C ATOM 937 OH TYR A 62 75.189 3.615 1.400 1.00 0.00 O ATOM 0 H TYR A 62 75.409 0.162 6.503 1.00 0.00 H new ATOM 0 HA TYR A 62 77.904 -0.438 5.161 1.00 0.00 H new ATOM 0 HB2 TYR A 62 76.987 1.813 7.026 1.00 0.00 H new ATOM 0 HB3 TYR A 62 78.553 1.778 6.240 1.00 0.00 H new ATOM 0 HD1 TYR A 62 78.710 1.894 3.730 1.00 0.00 H new ATOM 0 HD2 TYR A 62 74.938 2.290 5.750 1.00 0.00 H new ATOM 0 HE1 TYR A 62 77.701 2.830 1.666 1.00 0.00 H new ATOM 0 HE2 TYR A 62 73.938 3.241 3.691 1.00 0.00 H new ATOM 0 HH TYR A 62 74.246 3.824 1.564 1.00 0.00 H new ATOM 947 N GLN A 63 77.727 -0.380 8.467 1.00 0.00 N ATOM 948 CA GLN A 63 78.334 -0.841 9.723 1.00 0.00 C ATOM 949 C GLN A 63 77.231 -1.195 10.705 1.00 0.00 C ATOM 950 O GLN A 63 76.391 -0.365 10.998 1.00 0.00 O ATOM 951 CB GLN A 63 79.197 0.278 10.352 1.00 0.00 C ATOM 952 CG GLN A 63 80.641 0.278 9.812 1.00 0.00 C ATOM 953 CD GLN A 63 81.476 -0.804 10.501 1.00 0.00 C ATOM 954 OE1 GLN A 63 81.686 -0.753 11.714 1.00 0.00 O ATOM 955 NE2 GLN A 63 81.938 -1.798 9.798 1.00 0.00 N ATOM 0 H GLN A 63 76.880 0.172 8.602 1.00 0.00 H new ATOM 0 HA GLN A 63 78.960 -1.707 9.509 1.00 0.00 H new ATOM 0 HB2 GLN A 63 78.736 1.245 10.151 1.00 0.00 H new ATOM 0 HB3 GLN A 63 79.217 0.153 11.435 1.00 0.00 H new ATOM 0 HG2 GLN A 63 80.632 0.107 8.736 1.00 0.00 H new ATOM 0 HG3 GLN A 63 81.096 1.255 9.976 1.00 0.00 H new ATOM 0 HE21 GLN A 63 81.763 -1.838 8.794 1.00 0.00 H new ATOM 0 HE22 GLN A 63 82.475 -2.537 10.251 1.00 0.00 H new ATOM 964 N LYS A 64 77.248 -2.434 11.188 1.00 0.00 N ATOM 965 CA LYS A 64 76.236 -2.926 12.139 1.00 0.00 C ATOM 966 C LYS A 64 76.127 -2.028 13.374 1.00 0.00 C ATOM 967 O LYS A 64 77.144 -1.588 13.916 1.00 0.00 O ATOM 968 CB LYS A 64 76.581 -4.354 12.607 1.00 0.00 C ATOM 969 CG LYS A 64 76.669 -5.390 11.439 1.00 0.00 C ATOM 970 CD LYS A 64 75.318 -5.609 10.697 1.00 0.00 C ATOM 971 CE LYS A 64 75.355 -6.929 9.915 1.00 0.00 C ATOM 972 NZ LYS A 64 74.276 -6.919 8.887 1.00 0.00 N ATOM 0 H LYS A 64 77.954 -3.126 10.938 1.00 0.00 H new ATOM 0 HA LYS A 64 75.282 -2.920 11.611 1.00 0.00 H new ATOM 0 HB2 LYS A 64 77.534 -4.334 13.137 1.00 0.00 H new ATOM 0 HB3 LYS A 64 75.827 -4.686 13.320 1.00 0.00 H new ATOM 0 HG2 LYS A 64 77.418 -5.053 10.722 1.00 0.00 H new ATOM 0 HG3 LYS A 64 77.015 -6.344 11.836 1.00 0.00 H new ATOM 0 HD2 LYS A 64 74.498 -5.625 11.415 1.00 0.00 H new ATOM 0 HD3 LYS A 64 75.129 -4.779 10.016 1.00 0.00 H new ATOM 0 HE2 LYS A 64 76.327 -7.056 9.438 1.00 0.00 H new ATOM 0 HE3 LYS A 64 75.220 -7.771 10.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 74.636 -7.330 8.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 73.469 -7.480 9.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 73.969 -5.940 8.715 1.00 0.00 H new ATOM 986 N ASP A 65 74.861 -1.785 13.788 1.00 0.00 N ATOM 987 CA ASP A 65 74.526 -0.948 14.961 1.00 0.00 C ATOM 988 C ASP A 65 73.776 -1.775 16.028 1.00 0.00 C ATOM 989 O ASP A 65 72.917 -1.271 16.749 1.00 0.00 O ATOM 990 CB ASP A 65 73.646 0.251 14.536 1.00 0.00 C ATOM 991 CG ASP A 65 73.782 0.560 13.033 1.00 0.00 C ATOM 992 OD1 ASP A 65 74.899 0.859 12.642 1.00 0.00 O ATOM 993 OD2 ASP A 65 72.800 0.488 12.284 1.00 0.00 O ATOM 0 H ASP A 65 74.042 -2.166 13.315 1.00 0.00 H new ATOM 0 HA ASP A 65 75.460 -0.580 15.386 1.00 0.00 H new ATOM 0 HB2 ASP A 65 72.603 0.037 14.769 1.00 0.00 H new ATOM 0 HB3 ASP A 65 73.928 1.131 15.114 1.00 0.00 H new ATOM 998 N LEU A 66 74.121 -3.048 16.167 1.00 0.00 N ATOM 999 CA LEU A 66 73.459 -3.902 17.170 1.00 0.00 C ATOM 1000 C LEU A 66 73.783 -3.451 18.617 1.00 0.00 C ATOM 1001 O LEU A 66 73.327 -4.065 19.585 1.00 0.00 O ATOM 1002 CB LEU A 66 73.908 -5.376 16.972 1.00 0.00 C ATOM 1003 CG LEU A 66 73.217 -6.028 15.738 1.00 0.00 C ATOM 1004 CD1 LEU A 66 74.102 -7.151 15.169 1.00 0.00 C ATOM 1005 CD2 LEU A 66 71.870 -6.681 16.120 1.00 0.00 C ATOM 0 H LEU A 66 74.840 -3.514 15.614 1.00 0.00 H new ATOM 0 HA LEU A 66 72.382 -3.813 17.027 1.00 0.00 H new ATOM 0 HB2 LEU A 66 74.990 -5.413 16.845 1.00 0.00 H new ATOM 0 HB3 LEU A 66 73.672 -5.952 17.867 1.00 0.00 H new ATOM 0 HG LEU A 66 73.058 -5.232 15.011 1.00 0.00 H new ATOM 0 HD11 LEU A 66 73.610 -7.600 14.307 1.00 0.00 H new ATOM 0 HD12 LEU A 66 75.063 -6.737 14.864 1.00 0.00 H new ATOM 0 HD13 LEU A 66 74.261 -7.912 15.933 1.00 0.00 H new ATOM 0 HD21 LEU A 66 71.417 -7.126 15.234 1.00 0.00 H new ATOM 0 HD22 LEU A 66 72.040 -7.455 16.868 1.00 0.00 H new ATOM 0 HD23 LEU A 66 71.201 -5.923 16.528 1.00 0.00 H new ATOM 1017 N ALA A 67 74.552 -2.373 18.764 1.00 0.00 N ATOM 1018 CA ALA A 67 74.915 -1.856 20.072 1.00 0.00 C ATOM 1019 C ALA A 67 73.719 -1.243 20.794 1.00 0.00 C ATOM 1020 O ALA A 67 73.615 -1.363 22.017 1.00 0.00 O ATOM 1021 CB ALA A 67 76.011 -0.801 19.921 1.00 0.00 C ATOM 0 H ALA A 67 74.936 -1.841 17.983 1.00 0.00 H new ATOM 0 HA ALA A 67 75.275 -2.693 20.670 1.00 0.00 H new ATOM 0 HB1 ALA A 67 76.282 -0.414 20.904 1.00 0.00 H new ATOM 0 HB2 ALA A 67 76.887 -1.251 19.454 1.00 0.00 H new ATOM 0 HB3 ALA A 67 75.647 0.016 19.298 1.00 0.00 H new ATOM 1027 N ILE A 68 72.823 -0.580 20.047 1.00 0.00 N ATOM 1028 CA ILE A 68 71.661 0.045 20.677 1.00 0.00 C ATOM 1029 C ILE A 68 70.714 -1.013 21.278 1.00 0.00 C ATOM 1030 O ILE A 68 70.396 -0.929 22.463 1.00 0.00 O ATOM 1031 CB ILE A 68 70.925 1.019 19.713 1.00 0.00 C ATOM 1032 CG1 ILE A 68 70.852 0.465 18.272 1.00 0.00 C ATOM 1033 CG2 ILE A 68 71.671 2.367 19.645 1.00 0.00 C ATOM 1034 CD1 ILE A 68 69.587 0.982 17.566 1.00 0.00 C ATOM 0 H ILE A 68 72.880 -0.467 19.035 1.00 0.00 H new ATOM 0 HA ILE A 68 72.027 0.655 21.503 1.00 0.00 H new ATOM 0 HB ILE A 68 69.917 1.141 20.108 1.00 0.00 H new ATOM 0 HG12 ILE A 68 71.738 0.767 17.713 1.00 0.00 H new ATOM 0 HG13 ILE A 68 70.845 -0.625 18.294 1.00 0.00 H new ATOM 0 HG21 ILE A 68 71.146 3.040 18.967 1.00 0.00 H new ATOM 0 HG22 ILE A 68 71.710 2.812 20.639 1.00 0.00 H new ATOM 0 HG23 ILE A 68 72.685 2.204 19.280 1.00 0.00 H new ATOM 0 HD11 ILE A 68 69.548 0.584 16.552 1.00 0.00 H new ATOM 0 HD12 ILE A 68 68.704 0.658 18.117 1.00 0.00 H new ATOM 0 HD13 ILE A 68 69.611 2.071 17.528 1.00 0.00 H new ATOM 1046 N HIS A 69 70.285 -2.008 20.482 1.00 0.00 N ATOM 1047 CA HIS A 69 69.401 -3.072 20.976 1.00 0.00 C ATOM 1048 C HIS A 69 70.007 -3.787 22.184 1.00 0.00 C ATOM 1049 O HIS A 69 69.315 -4.024 23.177 1.00 0.00 O ATOM 1050 CB HIS A 69 69.163 -4.095 19.866 1.00 0.00 C ATOM 1051 CG HIS A 69 68.194 -5.143 20.345 1.00 0.00 C ATOM 1052 ND1 HIS A 69 66.861 -4.855 20.591 1.00 0.00 N ATOM 1053 CD2 HIS A 69 68.350 -6.481 20.620 1.00 0.00 C ATOM 1054 CE1 HIS A 69 66.271 -5.996 20.998 1.00 0.00 C ATOM 1055 NE2 HIS A 69 67.134 -7.015 21.033 1.00 0.00 N ATOM 0 H HIS A 69 70.537 -2.095 19.497 1.00 0.00 H new ATOM 0 HA HIS A 69 68.461 -2.612 21.280 1.00 0.00 H new ATOM 0 HB2 HIS A 69 68.769 -3.599 18.979 1.00 0.00 H new ATOM 0 HB3 HIS A 69 70.106 -4.561 19.579 1.00 0.00 H new ATOM 0 HD2 HIS A 69 69.274 -7.032 20.529 1.00 0.00 H new ATOM 0 HE1 HIS A 69 65.227 -6.077 21.264 1.00 0.00 H new ATOM 0 HE2 HIS A 69 66.942 -7.979 21.305 1.00 0.00 H new ATOM 1063 N HIS A 70 71.293 -4.121 22.102 1.00 0.00 N ATOM 1064 CA HIS A 70 71.969 -4.803 23.205 1.00 0.00 C ATOM 1065 C HIS A 70 72.190 -3.843 24.369 1.00 0.00 C ATOM 1066 O HIS A 70 72.856 -2.818 24.225 1.00 0.00 O ATOM 1067 CB HIS A 70 73.316 -5.355 22.736 1.00 0.00 C ATOM 1068 CG HIS A 70 73.089 -6.599 21.921 1.00 0.00 C ATOM 1069 ND1 HIS A 70 72.618 -6.554 20.619 1.00 0.00 N ATOM 1070 CD2 HIS A 70 73.257 -7.930 22.212 1.00 0.00 C ATOM 1071 CE1 HIS A 70 72.524 -7.823 20.178 1.00 0.00 C ATOM 1072 NE2 HIS A 70 72.900 -8.698 21.115 1.00 0.00 N ATOM 0 H HIS A 70 71.884 -3.933 21.292 1.00 0.00 H new ATOM 0 HA HIS A 70 71.338 -5.627 23.538 1.00 0.00 H new ATOM 0 HB2 HIS A 70 73.841 -4.608 22.141 1.00 0.00 H new ATOM 0 HB3 HIS A 70 73.948 -5.580 23.595 1.00 0.00 H new ATOM 0 HD1 HIS A 70 72.385 -5.713 20.091 1.00 0.00 H new ATOM 0 HD2 HIS A 70 73.614 -8.320 23.154 1.00 0.00 H new ATOM 0 HE1 HIS A 70 72.187 -8.099 19.190 1.00 0.00 H new