USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 465 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 65 CYS SG : rot 100:sc= -0.55 USER MOD Set 1.2: A 68 CYS SG : rot -39:sc= -0.53 USER MOD Set 1.3: A 81 HIS : no HD1:sc= -13.9! C(o=-15!,f=-17!) USER MOD Set 1.4: A 86 HIS : no HD1:sc= -0.291 X(o=-15,f=-15) USER MOD Set 2.1: A 64 THR OG1 : rot 28:sc= 0.309 USER MOD Set 2.2: A 71 GLN : amide:sc= 0.0646 X(o=0.37,f=0.22) USER MOD Set 3.1: A 37 CYS SG : rot 131:sc= 0.633 USER MOD Set 3.2: A 40 CYS SG : rot -59:sc= 0.941 USER MOD Set 3.3: A 54 HIS :FLIP no HD1:sc= -0.252 F(o=0.075,f=1.3) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -0.0765 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.308) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -160:sc= -0.0409 (180deg=-0.265) USER MOD Single : A 53 LYS NZ :NH3+ 172:sc=-4.71e-05 (180deg=-0.0773) USER MOD Single : A 55 MET CE :methyl 163:sc= 0 (180deg=-0.459) USER MOD Single : A 66 HIS : no HD1:sc=-0.00703 X(o=-0.007,f=0) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 177:sc= -1.38 (180deg=-1.47) USER MOD Single : A 74 SER OG : rot 34:sc= 0.691 USER MOD Single : A 78 MET CE :methyl -147:sc= -0.291 (180deg=-1.01) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -173:sc= 0 (180deg=-0.0862) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 262 N SER A 20 -3.602 10.242 -0.640 1.00 0.00 N ATOM 263 CA SER A 20 -4.345 9.827 -1.825 1.00 0.00 C ATOM 264 C SER A 20 -3.751 8.555 -2.421 1.00 0.00 C ATOM 265 O SER A 20 -2.694 8.088 -1.992 1.00 0.00 O ATOM 266 CB SER A 20 -4.342 10.944 -2.871 1.00 0.00 C ATOM 267 OG SER A 20 -5.351 11.900 -2.599 1.00 0.00 O ATOM 0 HA SER A 20 -5.373 9.621 -1.526 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.368 11.432 -2.883 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.498 10.519 -3.862 1.00 0.00 H new ATOM 0 HG SER A 20 -5.327 12.604 -3.280 1.00 0.00 H new ATOM 273 N LEU A 21 -4.438 7.997 -3.412 1.00 0.00 N ATOM 274 CA LEU A 21 -3.979 6.778 -4.068 1.00 0.00 C ATOM 275 C LEU A 21 -2.483 6.844 -4.358 1.00 0.00 C ATOM 276 O LEU A 21 -1.751 5.888 -4.109 1.00 0.00 O ATOM 277 CB LEU A 21 -4.753 6.554 -5.369 1.00 0.00 C ATOM 278 CG LEU A 21 -6.031 5.721 -5.255 1.00 0.00 C ATOM 279 CD1 LEU A 21 -6.830 5.791 -6.547 1.00 0.00 C ATOM 280 CD2 LEU A 21 -5.698 4.278 -4.909 1.00 0.00 C ATOM 0 H LEU A 21 -5.314 8.369 -3.778 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.162 5.941 -3.394 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.013 7.527 -5.786 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.089 6.068 -6.084 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.641 6.134 -4.452 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.736 5.193 -6.448 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.100 6.827 -6.752 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.228 5.404 -7.369 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.619 3.700 -4.832 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.067 3.853 -5.690 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.168 4.245 -3.957 1.00 0.00 H new ATOM 292 N GLU A 22 -2.038 7.981 -4.884 1.00 0.00 N ATOM 293 CA GLU A 22 -0.628 8.172 -5.206 1.00 0.00 C ATOM 294 C GLU A 22 0.262 7.643 -4.085 1.00 0.00 C ATOM 295 O GLU A 22 1.172 6.849 -4.324 1.00 0.00 O ATOM 296 CB GLU A 22 -0.334 9.654 -5.450 1.00 0.00 C ATOM 297 CG GLU A 22 -1.103 10.242 -6.621 1.00 0.00 C ATOM 298 CD GLU A 22 -1.198 11.754 -6.556 1.00 0.00 C ATOM 299 OE1 GLU A 22 -1.636 12.276 -5.510 1.00 0.00 O ATOM 300 OE2 GLU A 22 -0.834 12.415 -7.551 1.00 0.00 O ATOM 0 H GLU A 22 -2.632 8.783 -5.096 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.410 7.612 -6.115 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.575 10.217 -4.548 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.734 9.779 -5.628 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.617 9.952 -7.552 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.107 9.819 -6.640 1.00 0.00 H new ATOM 307 N GLU A 23 -0.007 8.090 -2.863 1.00 0.00 N ATOM 308 CA GLU A 23 0.771 7.663 -1.705 1.00 0.00 C ATOM 309 C GLU A 23 0.898 6.142 -1.667 1.00 0.00 C ATOM 310 O GLU A 23 1.990 5.606 -1.481 1.00 0.00 O ATOM 311 CB GLU A 23 0.122 8.164 -0.414 1.00 0.00 C ATOM 312 CG GLU A 23 0.810 7.666 0.846 1.00 0.00 C ATOM 313 CD GLU A 23 2.017 8.504 1.222 1.00 0.00 C ATOM 314 OE1 GLU A 23 1.874 9.742 1.309 1.00 0.00 O ATOM 315 OE2 GLU A 23 3.102 7.923 1.429 1.00 0.00 O ATOM 0 H GLU A 23 -0.757 8.747 -2.649 1.00 0.00 H new ATOM 0 HA GLU A 23 1.769 8.092 -1.791 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.127 9.254 -0.414 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.922 7.850 -0.396 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.097 7.671 1.671 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.122 6.632 0.701 1.00 0.00 H new ATOM 322 N GLN A 24 -0.226 5.456 -1.842 1.00 0.00 N ATOM 323 CA GLN A 24 -0.240 3.998 -1.826 1.00 0.00 C ATOM 324 C GLN A 24 0.673 3.432 -2.909 1.00 0.00 C ATOM 325 O GLN A 24 1.663 2.764 -2.613 1.00 0.00 O ATOM 326 CB GLN A 24 -1.666 3.478 -2.022 1.00 0.00 C ATOM 327 CG GLN A 24 -2.622 3.893 -0.915 1.00 0.00 C ATOM 328 CD GLN A 24 -4.050 3.462 -1.185 1.00 0.00 C ATOM 329 OE1 GLN A 24 -4.310 2.664 -2.086 1.00 0.00 O ATOM 330 NE2 GLN A 24 -4.985 3.990 -0.404 1.00 0.00 N ATOM 0 H GLN A 24 -1.138 5.885 -1.996 1.00 0.00 H new ATOM 0 HA GLN A 24 0.130 3.668 -0.855 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.048 3.841 -2.976 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.642 2.390 -2.081 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.288 3.461 0.029 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.589 4.976 -0.799 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.724 4.648 0.331 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -5.964 3.738 -0.539 1.00 0.00 H new ATOM 339 N TRP A 25 0.332 3.704 -4.164 1.00 0.00 N ATOM 340 CA TRP A 25 1.122 3.221 -5.291 1.00 0.00 C ATOM 341 C TRP A 25 2.612 3.417 -5.036 1.00 0.00 C ATOM 342 O TRP A 25 3.421 2.532 -5.313 1.00 0.00 O ATOM 343 CB TRP A 25 0.712 3.946 -6.574 1.00 0.00 C ATOM 344 CG TRP A 25 -0.736 3.768 -6.921 1.00 0.00 C ATOM 345 CD1 TRP A 25 -1.514 2.677 -6.656 1.00 0.00 C ATOM 346 CD2 TRP A 25 -1.577 4.709 -7.596 1.00 0.00 C ATOM 347 NE1 TRP A 25 -2.788 2.883 -7.127 1.00 0.00 N ATOM 348 CE2 TRP A 25 -2.853 4.122 -7.707 1.00 0.00 C ATOM 349 CE3 TRP A 25 -1.378 5.990 -8.116 1.00 0.00 C ATOM 350 CZ2 TRP A 25 -3.921 4.774 -8.317 1.00 0.00 C ATOM 351 CZ3 TRP A 25 -2.439 6.636 -8.722 1.00 0.00 C ATOM 352 CH2 TRP A 25 -3.698 6.027 -8.818 1.00 0.00 C ATOM 0 H TRP A 25 -0.485 4.256 -4.426 1.00 0.00 H new ATOM 0 HA TRP A 25 0.930 2.154 -5.407 1.00 0.00 H new ATOM 0 HB2 TRP A 25 0.924 5.010 -6.465 1.00 0.00 H new ATOM 0 HB3 TRP A 25 1.323 3.582 -7.400 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -1.177 1.784 -6.151 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -3.560 2.221 -7.056 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -0.412 6.467 -8.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -4.892 4.307 -8.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -2.296 7.626 -9.128 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -4.508 6.558 -9.297 1.00 0.00 H new ATOM 363 N TYR A 26 2.968 4.582 -4.506 1.00 0.00 N ATOM 364 CA TYR A 26 4.363 4.895 -4.215 1.00 0.00 C ATOM 365 C TYR A 26 5.020 3.769 -3.423 1.00 0.00 C ATOM 366 O TYR A 26 6.145 3.362 -3.715 1.00 0.00 O ATOM 367 CB TYR A 26 4.461 6.207 -3.435 1.00 0.00 C ATOM 368 CG TYR A 26 5.866 6.542 -2.988 1.00 0.00 C ATOM 369 CD1 TYR A 26 6.825 6.963 -3.902 1.00 0.00 C ATOM 370 CD2 TYR A 26 6.236 6.436 -1.653 1.00 0.00 C ATOM 371 CE1 TYR A 26 8.110 7.269 -3.498 1.00 0.00 C ATOM 372 CE2 TYR A 26 7.518 6.741 -1.240 1.00 0.00 C ATOM 373 CZ TYR A 26 8.452 7.157 -2.167 1.00 0.00 C ATOM 374 OH TYR A 26 9.731 7.461 -1.760 1.00 0.00 O ATOM 0 H TYR A 26 2.311 5.325 -4.269 1.00 0.00 H new ATOM 0 HA TYR A 26 4.890 5.003 -5.163 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.083 7.019 -4.057 1.00 0.00 H new ATOM 0 HB3 TYR A 26 3.814 6.149 -2.559 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.561 7.052 -4.945 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.508 6.109 -0.925 1.00 0.00 H new ATOM 0 HE1 TYR A 26 8.843 7.594 -4.221 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.788 6.655 -0.198 1.00 0.00 H new ATOM 0 HH TYR A 26 9.806 7.331 -0.792 1.00 0.00 H new ATOM 384 N LEU A 27 4.309 3.268 -2.419 1.00 0.00 N ATOM 385 CA LEU A 27 4.821 2.187 -1.583 1.00 0.00 C ATOM 386 C LEU A 27 5.201 0.977 -2.430 1.00 0.00 C ATOM 387 O LEU A 27 6.335 0.503 -2.377 1.00 0.00 O ATOM 388 CB LEU A 27 3.777 1.786 -0.539 1.00 0.00 C ATOM 389 CG LEU A 27 3.226 2.918 0.328 1.00 0.00 C ATOM 390 CD1 LEU A 27 1.887 2.523 0.933 1.00 0.00 C ATOM 391 CD2 LEU A 27 4.219 3.285 1.421 1.00 0.00 C ATOM 0 H LEU A 27 3.376 3.593 -2.164 1.00 0.00 H new ATOM 0 HA LEU A 27 5.716 2.546 -1.074 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.942 1.310 -1.053 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.218 1.035 0.116 1.00 0.00 H new ATOM 0 HG LEU A 27 3.073 3.793 -0.304 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.510 3.341 1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.176 2.310 0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.015 1.634 1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.810 4.092 2.028 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.404 2.415 2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.155 3.611 0.968 1.00 0.00 H new ATOM 403 N GLU A 28 4.245 0.484 -3.212 1.00 0.00 N ATOM 404 CA GLU A 28 4.482 -0.670 -4.071 1.00 0.00 C ATOM 405 C GLU A 28 5.848 -0.576 -4.744 1.00 0.00 C ATOM 406 O GLU A 28 6.449 -1.592 -5.096 1.00 0.00 O ATOM 407 CB GLU A 28 3.384 -0.777 -5.132 1.00 0.00 C ATOM 408 CG GLU A 28 2.031 -1.176 -4.569 1.00 0.00 C ATOM 409 CD GLU A 28 1.977 -2.634 -4.156 1.00 0.00 C ATOM 410 OE1 GLU A 28 2.708 -3.013 -3.218 1.00 0.00 O ATOM 411 OE2 GLU A 28 1.203 -3.396 -4.772 1.00 0.00 O ATOM 0 H GLU A 28 3.301 0.865 -3.268 1.00 0.00 H new ATOM 0 HA GLU A 28 4.464 -1.565 -3.448 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.288 0.182 -5.641 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.686 -1.508 -5.883 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.801 -0.550 -3.707 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.260 -0.985 -5.316 1.00 0.00 H new ATOM 418 N ILE A 29 6.331 0.649 -4.921 1.00 0.00 N ATOM 419 CA ILE A 29 7.625 0.876 -5.551 1.00 0.00 C ATOM 420 C ILE A 29 8.756 0.790 -4.532 1.00 0.00 C ATOM 421 O ILE A 29 9.694 0.010 -4.693 1.00 0.00 O ATOM 422 CB ILE A 29 7.680 2.249 -6.247 1.00 0.00 C ATOM 423 CG1 ILE A 29 6.475 2.423 -7.175 1.00 0.00 C ATOM 424 CG2 ILE A 29 8.979 2.397 -7.024 1.00 0.00 C ATOM 425 CD1 ILE A 29 6.211 3.862 -7.559 1.00 0.00 C ATOM 0 H ILE A 29 5.845 1.500 -4.637 1.00 0.00 H new ATOM 0 HA ILE A 29 7.753 0.093 -6.299 1.00 0.00 H new ATOM 0 HB ILE A 29 7.644 3.028 -5.485 1.00 0.00 H new ATOM 0 HG12 ILE A 29 6.636 1.838 -8.080 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.589 2.017 -6.687 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.003 3.372 -7.510 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.824 2.311 -6.340 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.043 1.613 -7.779 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.343 3.910 -8.217 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.018 4.449 -6.661 1.00 0.00 H new ATOM 0 HD13 ILE A 29 7.081 4.266 -8.076 1.00 0.00 H new ATOM 437 N VAL A 30 8.659 1.597 -3.480 1.00 0.00 N ATOM 438 CA VAL A 30 9.672 1.611 -2.431 1.00 0.00 C ATOM 439 C VAL A 30 9.736 0.269 -1.711 1.00 0.00 C ATOM 440 O VAL A 30 10.651 0.017 -0.927 1.00 0.00 O ATOM 441 CB VAL A 30 9.398 2.722 -1.400 1.00 0.00 C ATOM 442 CG1 VAL A 30 8.876 3.973 -2.090 1.00 0.00 C ATOM 443 CG2 VAL A 30 8.417 2.237 -0.344 1.00 0.00 C ATOM 0 H VAL A 30 7.889 2.250 -3.332 1.00 0.00 H new ATOM 0 HA VAL A 30 10.628 1.805 -2.917 1.00 0.00 H new ATOM 0 HB VAL A 30 10.335 2.974 -0.904 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.688 4.747 -1.346 1.00 0.00 H new ATOM 0 HG12 VAL A 30 9.617 4.330 -2.806 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.949 3.740 -2.613 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.234 3.034 0.377 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.478 1.957 -0.821 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.835 1.372 0.170 1.00 0.00 H new ATOM 453 N ASP A 31 8.759 -0.589 -1.983 1.00 0.00 N ATOM 454 CA ASP A 31 8.704 -1.907 -1.362 1.00 0.00 C ATOM 455 C ASP A 31 8.974 -3.003 -2.388 1.00 0.00 C ATOM 456 O ASP A 31 9.904 -3.795 -2.237 1.00 0.00 O ATOM 457 CB ASP A 31 7.340 -2.130 -0.707 1.00 0.00 C ATOM 458 CG ASP A 31 7.421 -3.035 0.506 1.00 0.00 C ATOM 459 OD1 ASP A 31 8.453 -2.995 1.209 1.00 0.00 O ATOM 460 OD2 ASP A 31 6.452 -3.782 0.755 1.00 0.00 O ATOM 0 H ASP A 31 7.994 -0.395 -2.630 1.00 0.00 H new ATOM 0 HA ASP A 31 9.478 -1.952 -0.596 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.921 -1.168 -0.412 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.657 -2.565 -1.436 1.00 0.00 H new ATOM 465 N LYS A 32 8.154 -3.043 -3.433 1.00 0.00 N ATOM 466 CA LYS A 32 8.304 -4.041 -4.486 1.00 0.00 C ATOM 467 C LYS A 32 9.278 -3.561 -5.556 1.00 0.00 C ATOM 468 O LYS A 32 10.103 -4.329 -6.049 1.00 0.00 O ATOM 469 CB LYS A 32 6.946 -4.352 -5.119 1.00 0.00 C ATOM 470 CG LYS A 32 5.796 -4.348 -4.126 1.00 0.00 C ATOM 471 CD LYS A 32 5.648 -5.695 -3.439 1.00 0.00 C ATOM 472 CE LYS A 32 6.440 -5.751 -2.142 1.00 0.00 C ATOM 473 NZ LYS A 32 6.069 -6.932 -1.316 1.00 0.00 N ATOM 0 H LYS A 32 7.378 -2.396 -3.573 1.00 0.00 H new ATOM 0 HA LYS A 32 8.705 -4.949 -4.037 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.743 -3.620 -5.900 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.995 -5.328 -5.602 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.963 -3.573 -3.378 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.869 -4.098 -4.642 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.595 -5.885 -3.232 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.988 -6.485 -4.108 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.506 -5.787 -2.369 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.266 -4.839 -1.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.631 -6.934 -0.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.058 -6.885 -1.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.259 -7.803 -1.851 1.00 0.00 H new ATOM 487 N GLY A 33 9.177 -2.283 -5.912 1.00 0.00 N ATOM 488 CA GLY A 33 10.056 -1.723 -6.921 1.00 0.00 C ATOM 489 C GLY A 33 9.297 -0.989 -8.009 1.00 0.00 C ATOM 490 O GLY A 33 9.865 -0.161 -8.722 1.00 0.00 O ATOM 0 H GLY A 33 8.502 -1.627 -5.519 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.758 -1.038 -6.447 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.645 -2.523 -7.370 1.00 0.00 H new ATOM 494 N SER A 34 8.010 -1.293 -8.138 1.00 0.00 N ATOM 495 CA SER A 34 7.172 -0.660 -9.150 1.00 0.00 C ATOM 496 C SER A 34 5.696 -0.775 -8.784 1.00 0.00 C ATOM 497 O SER A 34 5.342 -1.360 -7.759 1.00 0.00 O ATOM 498 CB SER A 34 7.421 -1.297 -10.519 1.00 0.00 C ATOM 499 OG SER A 34 6.911 -2.618 -10.567 1.00 0.00 O ATOM 0 H SER A 34 7.524 -1.974 -7.554 1.00 0.00 H new ATOM 0 HA SER A 34 7.435 0.397 -9.195 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.950 -0.694 -11.295 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.491 -1.309 -10.729 1.00 0.00 H new ATOM 0 HG SER A 34 7.081 -3.002 -11.452 1.00 0.00 H new ATOM 505 N VAL A 35 4.837 -0.214 -9.629 1.00 0.00 N ATOM 506 CA VAL A 35 3.398 -0.254 -9.396 1.00 0.00 C ATOM 507 C VAL A 35 2.662 -0.820 -10.605 1.00 0.00 C ATOM 508 O VAL A 35 3.096 -0.651 -11.744 1.00 0.00 O ATOM 509 CB VAL A 35 2.842 1.147 -9.079 1.00 0.00 C ATOM 510 CG1 VAL A 35 2.960 2.056 -10.293 1.00 0.00 C ATOM 511 CG2 VAL A 35 1.398 1.053 -8.612 1.00 0.00 C ATOM 0 H VAL A 35 5.113 0.274 -10.481 1.00 0.00 H new ATOM 0 HA VAL A 35 3.234 -0.904 -8.537 1.00 0.00 H new ATOM 0 HB VAL A 35 3.434 1.580 -8.272 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.562 3.041 -10.050 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.008 2.148 -10.578 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.394 1.631 -11.122 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.021 2.052 -8.392 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.791 0.600 -9.396 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.346 0.440 -7.713 1.00 0.00 H new ATOM 521 N SER A 36 1.543 -1.491 -10.348 1.00 0.00 N ATOM 522 CA SER A 36 0.747 -2.085 -11.415 1.00 0.00 C ATOM 523 C SER A 36 -0.525 -1.278 -11.657 1.00 0.00 C ATOM 524 O SER A 36 -0.981 -0.539 -10.784 1.00 0.00 O ATOM 525 CB SER A 36 0.388 -3.531 -11.068 1.00 0.00 C ATOM 526 OG SER A 36 -0.558 -4.056 -11.983 1.00 0.00 O ATOM 0 H SER A 36 1.168 -1.636 -9.411 1.00 0.00 H new ATOM 0 HA SER A 36 1.343 -2.075 -12.328 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.289 -4.145 -11.079 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.016 -3.576 -10.057 1.00 0.00 H new ATOM 0 HG SER A 36 -0.769 -4.982 -11.740 1.00 0.00 H new ATOM 532 N CYS A 37 -1.094 -1.425 -12.849 1.00 0.00 N ATOM 533 CA CYS A 37 -2.313 -0.711 -13.209 1.00 0.00 C ATOM 534 C CYS A 37 -3.496 -1.204 -12.382 1.00 0.00 C ATOM 535 O CYS A 37 -3.951 -2.340 -12.519 1.00 0.00 O ATOM 536 CB CYS A 37 -2.610 -0.886 -14.700 1.00 0.00 C ATOM 537 SG CYS A 37 -3.965 0.164 -15.316 1.00 0.00 S ATOM 0 H CYS A 37 -0.730 -2.033 -13.583 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.161 0.347 -12.998 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.706 -0.665 -15.268 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.859 -1.930 -14.890 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.579 0.783 -16.392 1.00 0.00 H new ATOM 542 N PRO A 38 -4.008 -0.331 -11.502 1.00 0.00 N ATOM 543 CA PRO A 38 -5.145 -0.654 -10.636 1.00 0.00 C ATOM 544 C PRO A 38 -6.450 -0.782 -11.415 1.00 0.00 C ATOM 545 O PRO A 38 -7.499 -1.087 -10.846 1.00 0.00 O ATOM 546 CB PRO A 38 -5.211 0.537 -9.677 1.00 0.00 C ATOM 547 CG PRO A 38 -4.581 1.661 -10.425 1.00 0.00 C ATOM 548 CD PRO A 38 -3.515 1.040 -11.286 1.00 0.00 C ATOM 0 HA PRO A 38 -5.016 -1.614 -10.137 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.241 0.770 -9.405 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.676 0.329 -8.750 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.317 2.186 -11.034 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.152 2.393 -9.741 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.395 1.577 -12.227 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.544 1.045 -10.790 1.00 0.00 H new ATOM 556 N THR A 39 -6.378 -0.549 -12.722 1.00 0.00 N ATOM 557 CA THR A 39 -7.553 -0.637 -13.580 1.00 0.00 C ATOM 558 C THR A 39 -7.630 -1.996 -14.268 1.00 0.00 C ATOM 559 O THR A 39 -8.594 -2.740 -14.089 1.00 0.00 O ATOM 560 CB THR A 39 -7.551 0.469 -14.652 1.00 0.00 C ATOM 561 OG1 THR A 39 -7.474 1.755 -14.028 1.00 0.00 O ATOM 562 CG2 THR A 39 -8.803 0.391 -15.512 1.00 0.00 C ATOM 0 H THR A 39 -5.518 -0.298 -13.209 1.00 0.00 H new ATOM 0 HA THR A 39 -8.424 -0.507 -12.937 1.00 0.00 H new ATOM 0 HB THR A 39 -6.681 0.323 -15.292 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.471 2.453 -14.716 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.779 1.182 -16.262 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.844 -0.579 -16.008 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.685 0.514 -14.883 1.00 0.00 H new ATOM 570 N CYS A 40 -6.608 -2.313 -15.056 1.00 0.00 N ATOM 571 CA CYS A 40 -6.560 -3.583 -15.771 1.00 0.00 C ATOM 572 C CYS A 40 -5.707 -4.600 -15.018 1.00 0.00 C ATOM 573 O CYS A 40 -5.936 -5.805 -15.110 1.00 0.00 O ATOM 574 CB CYS A 40 -6.000 -3.377 -17.180 1.00 0.00 C ATOM 575 SG CYS A 40 -4.267 -2.819 -17.218 1.00 0.00 S ATOM 0 H CYS A 40 -5.802 -1.708 -15.216 1.00 0.00 H new ATOM 0 HA CYS A 40 -7.577 -3.970 -15.843 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -6.081 -4.313 -17.732 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -6.617 -2.645 -17.701 1.00 0.00 H new ATOM 0 HG CYS A 40 -4.160 -1.692 -16.579 1.00 0.00 H new ATOM 580 N GLN A 41 -4.725 -4.103 -14.272 1.00 0.00 N ATOM 581 CA GLN A 41 -3.839 -4.969 -13.503 1.00 0.00 C ATOM 582 C GLN A 41 -3.094 -5.936 -14.417 1.00 0.00 C ATOM 583 O GLN A 41 -2.958 -7.119 -14.107 1.00 0.00 O ATOM 584 CB GLN A 41 -4.636 -5.749 -12.456 1.00 0.00 C ATOM 585 CG GLN A 41 -5.326 -4.863 -11.432 1.00 0.00 C ATOM 586 CD GLN A 41 -5.797 -5.636 -10.215 1.00 0.00 C ATOM 587 OE1 GLN A 41 -6.600 -6.562 -10.327 1.00 0.00 O ATOM 588 NE2 GLN A 41 -5.298 -5.258 -9.044 1.00 0.00 N ATOM 0 H GLN A 41 -4.523 -3.107 -14.184 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.107 -4.340 -12.997 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.386 -6.358 -12.962 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.966 -6.435 -11.938 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.640 -4.077 -11.116 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.180 -4.372 -11.899 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.635 -4.485 -8.998 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.578 -5.741 -8.190 1.00 0.00 H new ATOM 597 N ALA A 42 -2.614 -5.424 -15.546 1.00 0.00 N ATOM 598 CA ALA A 42 -1.882 -6.242 -16.505 1.00 0.00 C ATOM 599 C ALA A 42 -0.452 -5.741 -16.675 1.00 0.00 C ATOM 600 O ALA A 42 0.500 -6.521 -16.635 1.00 0.00 O ATOM 601 CB ALA A 42 -2.601 -6.256 -17.846 1.00 0.00 C ATOM 0 H ALA A 42 -2.719 -4.447 -15.819 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.839 -7.260 -16.118 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.043 -6.871 -18.552 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.602 -6.669 -17.718 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.674 -5.239 -18.230 1.00 0.00 H new ATOM 607 N VAL A 43 -0.307 -4.433 -16.866 1.00 0.00 N ATOM 608 CA VAL A 43 1.008 -3.827 -17.042 1.00 0.00 C ATOM 609 C VAL A 43 1.258 -2.744 -15.999 1.00 0.00 C ATOM 610 O VAL A 43 0.363 -1.966 -15.670 1.00 0.00 O ATOM 611 CB VAL A 43 1.160 -3.216 -18.447 1.00 0.00 C ATOM 612 CG1 VAL A 43 1.151 -4.307 -19.508 1.00 0.00 C ATOM 613 CG2 VAL A 43 0.060 -2.198 -18.708 1.00 0.00 C ATOM 0 H VAL A 43 -1.084 -3.773 -16.903 1.00 0.00 H new ATOM 0 HA VAL A 43 1.743 -4.623 -16.918 1.00 0.00 H new ATOM 0 HB VAL A 43 2.119 -2.701 -18.498 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.259 -3.856 -20.494 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.978 -4.994 -19.330 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.209 -4.853 -19.460 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.183 -1.777 -19.706 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.912 -2.687 -18.638 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.119 -1.400 -17.967 1.00 0.00 H new ATOM 623 N GLY A 44 2.482 -2.699 -15.481 1.00 0.00 N ATOM 624 CA GLY A 44 2.828 -1.707 -14.480 1.00 0.00 C ATOM 625 C GLY A 44 3.797 -0.667 -15.007 1.00 0.00 C ATOM 626 O GLY A 44 4.044 -0.592 -16.210 1.00 0.00 O ATOM 0 H GLY A 44 3.240 -3.332 -15.737 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.921 -1.212 -14.134 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.268 -2.205 -13.616 1.00 0.00 H new ATOM 630 N ARG A 45 4.346 0.139 -14.103 1.00 0.00 N ATOM 631 CA ARG A 45 5.291 1.182 -14.483 1.00 0.00 C ATOM 632 C ARG A 45 6.292 1.443 -13.363 1.00 0.00 C ATOM 633 O ARG A 45 5.943 1.411 -12.182 1.00 0.00 O ATOM 634 CB ARG A 45 4.546 2.473 -14.828 1.00 0.00 C ATOM 635 CG ARG A 45 3.768 2.399 -16.131 1.00 0.00 C ATOM 636 CD ARG A 45 4.698 2.404 -17.335 1.00 0.00 C ATOM 637 NE ARG A 45 5.078 3.758 -17.728 1.00 0.00 N ATOM 638 CZ ARG A 45 6.186 4.044 -18.402 1.00 0.00 C ATOM 639 NH1 ARG A 45 7.018 3.075 -18.758 1.00 0.00 N ATOM 640 NH2 ARG A 45 6.463 5.301 -18.723 1.00 0.00 N ATOM 0 H ARG A 45 4.152 0.089 -13.103 1.00 0.00 H new ATOM 0 HA ARG A 45 5.837 0.840 -15.362 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.858 2.713 -14.017 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.264 3.291 -14.889 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.160 1.494 -16.143 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.083 3.244 -16.196 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.594 1.829 -17.103 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.209 1.907 -18.173 1.00 0.00 H new ATOM 0 HE ARG A 45 4.458 4.526 -17.471 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.808 2.107 -18.514 1.00 0.00 H new ATOM 0 HH12 ARG A 45 7.868 3.297 -19.276 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.825 6.049 -18.452 1.00 0.00 H new ATOM 0 HH22 ARG A 45 7.314 5.519 -19.241 1.00 0.00 H new ATOM 654 N LYS A 46 7.540 1.701 -13.739 1.00 0.00 N ATOM 655 CA LYS A 46 8.594 1.968 -12.768 1.00 0.00 C ATOM 656 C LYS A 46 8.073 2.836 -11.626 1.00 0.00 C ATOM 657 O LYS A 46 8.180 2.470 -10.455 1.00 0.00 O ATOM 658 CB LYS A 46 9.779 2.658 -13.447 1.00 0.00 C ATOM 659 CG LYS A 46 10.723 1.695 -14.147 1.00 0.00 C ATOM 660 CD LYS A 46 11.955 2.409 -14.677 1.00 0.00 C ATOM 661 CE LYS A 46 11.743 2.907 -16.098 1.00 0.00 C ATOM 662 NZ LYS A 46 11.224 4.303 -16.125 1.00 0.00 N ATOM 0 H LYS A 46 7.846 1.731 -14.711 1.00 0.00 H new ATOM 0 HA LYS A 46 8.925 1.015 -12.356 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.402 3.377 -14.174 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.337 3.222 -12.700 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.026 0.911 -13.452 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.202 1.207 -14.970 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.196 3.251 -14.028 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.809 1.732 -14.651 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.685 2.859 -16.644 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.043 2.249 -16.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.424 4.363 -16.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.906 4.574 -15.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.979 4.948 -16.435 1.00 0.00 H new ATOM 676 N THR A 47 7.508 3.988 -11.974 1.00 0.00 N ATOM 677 CA THR A 47 6.971 4.907 -10.979 1.00 0.00 C ATOM 678 C THR A 47 5.529 5.283 -11.300 1.00 0.00 C ATOM 679 O THR A 47 4.959 4.811 -12.284 1.00 0.00 O ATOM 680 CB THR A 47 7.816 6.192 -10.888 1.00 0.00 C ATOM 681 OG1 THR A 47 8.211 6.613 -12.198 1.00 0.00 O ATOM 682 CG2 THR A 47 9.050 5.968 -10.027 1.00 0.00 C ATOM 0 H THR A 47 7.411 4.306 -12.938 1.00 0.00 H new ATOM 0 HA THR A 47 7.004 4.390 -10.020 1.00 0.00 H new ATOM 0 HB THR A 47 7.207 6.969 -10.426 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.746 7.431 -12.131 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.631 6.889 -9.977 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.744 5.677 -9.022 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.660 5.177 -10.464 1.00 0.00 H new ATOM 690 N ILE A 48 4.944 6.134 -10.463 1.00 0.00 N ATOM 691 CA ILE A 48 3.568 6.573 -10.659 1.00 0.00 C ATOM 692 C ILE A 48 3.419 7.348 -11.965 1.00 0.00 C ATOM 693 O ILE A 48 2.528 7.067 -12.765 1.00 0.00 O ATOM 694 CB ILE A 48 3.088 7.458 -9.493 1.00 0.00 C ATOM 695 CG1 ILE A 48 3.404 6.789 -8.154 1.00 0.00 C ATOM 696 CG2 ILE A 48 1.597 7.732 -9.616 1.00 0.00 C ATOM 697 CD1 ILE A 48 3.013 7.624 -6.955 1.00 0.00 C ATOM 0 H ILE A 48 5.402 6.533 -9.643 1.00 0.00 H new ATOM 0 HA ILE A 48 2.953 5.674 -10.700 1.00 0.00 H new ATOM 0 HB ILE A 48 3.617 8.410 -9.536 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.886 5.831 -8.104 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.472 6.577 -8.106 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.272 8.358 -8.785 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.398 8.245 -10.557 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.051 6.789 -9.594 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.266 7.088 -6.040 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.551 8.572 -6.981 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.940 7.815 -6.979 1.00 0.00 H new ATOM 709 N GLU A 49 4.300 8.322 -12.172 1.00 0.00 N ATOM 710 CA GLU A 49 4.267 9.136 -13.382 1.00 0.00 C ATOM 711 C GLU A 49 3.878 8.294 -14.594 1.00 0.00 C ATOM 712 O GLU A 49 2.956 8.637 -15.332 1.00 0.00 O ATOM 713 CB GLU A 49 5.628 9.793 -13.619 1.00 0.00 C ATOM 714 CG GLU A 49 5.545 11.109 -14.373 1.00 0.00 C ATOM 715 CD GLU A 49 6.792 11.394 -15.188 1.00 0.00 C ATOM 716 OE1 GLU A 49 7.423 10.428 -15.665 1.00 0.00 O ATOM 717 OE2 GLU A 49 7.135 12.584 -15.350 1.00 0.00 O ATOM 0 H GLU A 49 5.044 8.566 -11.519 1.00 0.00 H new ATOM 0 HA GLU A 49 3.515 9.914 -13.245 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.112 9.965 -12.657 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.263 9.104 -14.176 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.679 11.090 -15.035 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.386 11.921 -13.663 1.00 0.00 H new ATOM 724 N GLY A 50 4.589 7.188 -14.792 1.00 0.00 N ATOM 725 CA GLY A 50 4.305 6.314 -15.915 1.00 0.00 C ATOM 726 C GLY A 50 2.882 5.793 -15.899 1.00 0.00 C ATOM 727 O GLY A 50 2.162 5.899 -16.893 1.00 0.00 O ATOM 0 H GLY A 50 5.357 6.882 -14.194 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.480 6.854 -16.845 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.997 5.472 -15.900 1.00 0.00 H new ATOM 731 N LEU A 51 2.473 5.228 -14.768 1.00 0.00 N ATOM 732 CA LEU A 51 1.126 4.686 -14.626 1.00 0.00 C ATOM 733 C LEU A 51 0.079 5.724 -15.017 1.00 0.00 C ATOM 734 O LEU A 51 -0.795 5.460 -15.843 1.00 0.00 O ATOM 735 CB LEU A 51 0.890 4.223 -13.188 1.00 0.00 C ATOM 736 CG LEU A 51 -0.570 4.033 -12.775 1.00 0.00 C ATOM 737 CD1 LEU A 51 -1.065 2.655 -13.185 1.00 0.00 C ATOM 738 CD2 LEU A 51 -0.730 4.235 -11.275 1.00 0.00 C ATOM 0 H LEU A 51 3.055 5.133 -13.936 1.00 0.00 H new ATOM 0 HA LEU A 51 1.032 3.831 -15.296 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.414 3.279 -13.041 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.346 4.949 -12.514 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.174 4.781 -13.289 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.106 2.538 -12.883 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.987 2.547 -14.267 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.458 1.891 -12.699 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.775 4.096 -10.999 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.114 3.510 -10.743 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.415 5.244 -11.008 1.00 0.00 H new ATOM 750 N LYS A 52 0.173 6.907 -14.419 1.00 0.00 N ATOM 751 CA LYS A 52 -0.763 7.987 -14.706 1.00 0.00 C ATOM 752 C LYS A 52 -1.014 8.105 -16.206 1.00 0.00 C ATOM 753 O LYS A 52 -2.160 8.192 -16.649 1.00 0.00 O ATOM 754 CB LYS A 52 -0.227 9.313 -14.161 1.00 0.00 C ATOM 755 CG LYS A 52 -0.682 9.617 -12.744 1.00 0.00 C ATOM 756 CD LYS A 52 0.338 10.463 -12.000 1.00 0.00 C ATOM 757 CE LYS A 52 -0.321 11.311 -10.924 1.00 0.00 C ATOM 758 NZ LYS A 52 -1.154 12.399 -11.507 1.00 0.00 N ATOM 0 H LYS A 52 0.889 7.142 -13.732 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.708 7.755 -14.215 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.862 9.293 -14.187 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.547 10.122 -14.818 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.638 10.139 -12.772 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.845 8.684 -12.205 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.088 9.815 -11.546 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.860 11.109 -12.705 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.943 10.677 -10.292 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.446 11.745 -10.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.306 13.140 -10.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.667 12.806 -12.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.072 12.012 -11.804 1.00 0.00 H new ATOM 772 N LYS A 53 0.063 8.108 -16.983 1.00 0.00 N ATOM 773 CA LYS A 53 -0.039 8.213 -18.433 1.00 0.00 C ATOM 774 C LYS A 53 -0.754 6.999 -19.018 1.00 0.00 C ATOM 775 O LYS A 53 -1.510 7.116 -19.983 1.00 0.00 O ATOM 776 CB LYS A 53 1.353 8.346 -19.055 1.00 0.00 C ATOM 777 CG LYS A 53 1.328 8.729 -20.525 1.00 0.00 C ATOM 778 CD LYS A 53 0.870 10.165 -20.720 1.00 0.00 C ATOM 779 CE LYS A 53 0.956 10.584 -22.179 1.00 0.00 C ATOM 780 NZ LYS A 53 0.037 9.789 -23.040 1.00 0.00 N ATOM 0 H LYS A 53 1.018 8.039 -16.632 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.622 9.104 -18.667 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.919 9.096 -18.502 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.884 7.400 -18.943 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.323 8.602 -20.952 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.661 8.057 -21.066 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.157 10.271 -20.370 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.484 10.830 -20.113 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.712 11.643 -22.268 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.980 10.462 -22.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.024 10.192 -23.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.367 8.804 -23.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.923 9.815 -22.640 1.00 0.00 H new ATOM 794 N HIS A 54 -0.512 5.834 -18.426 1.00 0.00 N ATOM 795 CA HIS A 54 -1.135 4.598 -18.888 1.00 0.00 C ATOM 796 C HIS A 54 -2.642 4.631 -18.658 1.00 0.00 C ATOM 797 O HIS A 54 -3.426 4.474 -19.593 1.00 0.00 O ATOM 798 CB HIS A 54 -0.524 3.395 -18.169 1.00 0.00 C ATOM 799 CG HIS A 54 -1.120 2.084 -18.581 1.00 0.00 C ATOM 800 ND1 HIS A 54 -1.835 1.176 -17.877 1.00 0.00 N flip ATOM 801 CD2 HIS A 54 -1.010 1.576 -19.858 1.00 0.00 C flip ATOM 802 CE1 HIS A 54 -2.141 0.147 -18.732 1.00 0.00 C flip ATOM 803 NE2 HIS A 54 -1.632 0.412 -19.922 1.00 0.00 N flip ATOM 0 H HIS A 54 0.110 5.719 -17.626 1.00 0.00 H new ATOM 0 HA HIS A 54 -0.950 4.505 -19.958 1.00 0.00 H new ATOM 0 HB2 HIS A 54 0.549 3.374 -18.362 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -0.652 3.521 -17.094 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -0.496 2.055 -20.678 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -2.706 -0.736 -18.474 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -1.706 -0.181 -20.749 1.00 0.00 H new ATOM 811 N MET A 55 -3.041 4.835 -17.406 1.00 0.00 N ATOM 812 CA MET A 55 -4.455 4.889 -17.054 1.00 0.00 C ATOM 813 C MET A 55 -5.156 6.025 -17.792 1.00 0.00 C ATOM 814 O MET A 55 -6.360 5.965 -18.041 1.00 0.00 O ATOM 815 CB MET A 55 -4.620 5.068 -15.544 1.00 0.00 C ATOM 816 CG MET A 55 -3.992 6.346 -15.011 1.00 0.00 C ATOM 817 SD MET A 55 -4.698 6.862 -13.434 1.00 0.00 S ATOM 818 CE MET A 55 -4.750 5.300 -12.559 1.00 0.00 C ATOM 0 H MET A 55 -2.405 4.965 -16.619 1.00 0.00 H new ATOM 0 HA MET A 55 -4.914 3.947 -17.353 1.00 0.00 H new ATOM 0 HB2 MET A 55 -5.682 5.066 -15.300 1.00 0.00 H new ATOM 0 HB3 MET A 55 -4.174 4.214 -15.034 1.00 0.00 H new ATOM 0 HG2 MET A 55 -2.919 6.197 -14.893 1.00 0.00 H new ATOM 0 HG3 MET A 55 -4.124 7.144 -15.742 1.00 0.00 H new ATOM 0 HE1 MET A 55 -4.871 5.485 -11.492 1.00 0.00 H new ATOM 0 HE2 MET A 55 -5.590 4.707 -12.922 1.00 0.00 H new ATOM 0 HE3 MET A 55 -3.821 4.756 -12.730 1.00 0.00 H new ATOM 828 N GLU A 56 -4.395 7.058 -18.140 1.00 0.00 N ATOM 829 CA GLU A 56 -4.946 8.207 -18.848 1.00 0.00 C ATOM 830 C GLU A 56 -5.557 7.783 -20.181 1.00 0.00 C ATOM 831 O GLU A 56 -6.411 8.475 -20.732 1.00 0.00 O ATOM 832 CB GLU A 56 -3.858 9.258 -19.085 1.00 0.00 C ATOM 833 CG GLU A 56 -3.723 10.259 -17.950 1.00 0.00 C ATOM 834 CD GLU A 56 -4.819 11.306 -17.962 1.00 0.00 C ATOM 835 OE1 GLU A 56 -4.630 12.357 -18.609 1.00 0.00 O ATOM 836 OE2 GLU A 56 -5.867 11.074 -17.323 1.00 0.00 O ATOM 0 H GLU A 56 -3.396 7.122 -17.943 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.732 8.640 -18.229 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.902 8.754 -19.229 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.078 9.795 -20.008 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.743 9.728 -16.998 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.754 10.752 -18.019 1.00 0.00 H new ATOM 958 N THR A 64 -23.775 2.706 -15.645 1.00 0.00 N ATOM 959 CA THR A 64 -24.705 3.313 -14.702 1.00 0.00 C ATOM 960 C THR A 64 -26.141 2.900 -15.004 1.00 0.00 C ATOM 961 O THR A 64 -26.632 3.091 -16.117 1.00 0.00 O ATOM 962 CB THR A 64 -24.609 4.850 -14.728 1.00 0.00 C ATOM 963 OG1 THR A 64 -23.235 5.254 -14.712 1.00 0.00 O ATOM 964 CG2 THR A 64 -25.335 5.458 -13.538 1.00 0.00 C ATOM 0 HA THR A 64 -24.427 2.956 -13.710 1.00 0.00 H new ATOM 0 HB THR A 64 -25.083 5.207 -15.643 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.684 4.556 -15.124 1.00 0.00 H new ATOM 0 HG21 THR A 64 -25.253 6.544 -13.578 1.00 0.00 H new ATOM 0 HG22 THR A 64 -26.386 5.172 -13.568 1.00 0.00 H new ATOM 0 HG23 THR A 64 -24.886 5.094 -12.614 1.00 0.00 H new ATOM 972 N CYS A 65 -26.811 2.334 -14.006 1.00 0.00 N ATOM 973 CA CYS A 65 -28.192 1.894 -14.163 1.00 0.00 C ATOM 974 C CYS A 65 -29.114 3.080 -14.431 1.00 0.00 C ATOM 975 O CYS A 65 -28.761 4.228 -14.158 1.00 0.00 O ATOM 976 CB CYS A 65 -28.657 1.145 -12.913 1.00 0.00 C ATOM 977 SG CYS A 65 -30.436 0.753 -12.899 1.00 0.00 S ATOM 0 H CYS A 65 -26.419 2.169 -13.079 1.00 0.00 H new ATOM 0 HA CYS A 65 -28.237 1.221 -15.019 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -28.091 0.218 -12.827 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -28.421 1.745 -12.034 1.00 0.00 H new ATOM 0 HG CYS A 65 -30.610 -0.486 -13.254 1.00 0.00 H new ATOM 982 N HIS A 66 -30.297 2.795 -14.966 1.00 0.00 N ATOM 983 CA HIS A 66 -31.270 3.838 -15.270 1.00 0.00 C ATOM 984 C HIS A 66 -32.418 3.820 -14.264 1.00 0.00 C ATOM 985 O HIS A 66 -32.958 4.866 -13.904 1.00 0.00 O ATOM 986 CB HIS A 66 -31.815 3.659 -16.687 1.00 0.00 C ATOM 987 CG HIS A 66 -30.786 3.866 -17.755 1.00 0.00 C ATOM 988 ND1 HIS A 66 -30.798 3.185 -18.954 1.00 0.00 N ATOM 989 CD2 HIS A 66 -29.710 4.686 -17.801 1.00 0.00 C ATOM 990 CE1 HIS A 66 -29.773 3.575 -19.690 1.00 0.00 C ATOM 991 NE2 HIS A 66 -29.097 4.486 -19.013 1.00 0.00 N ATOM 0 H HIS A 66 -30.605 1.851 -15.198 1.00 0.00 H new ATOM 0 HA HIS A 66 -30.766 4.802 -15.202 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -32.230 2.656 -16.784 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -32.635 4.360 -16.843 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -29.393 5.370 -17.028 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -29.529 3.211 -20.677 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -28.256 4.963 -19.338 1.00 0.00 H new ATOM 999 N HIS A 67 -32.785 2.624 -13.815 1.00 0.00 N ATOM 1000 CA HIS A 67 -33.869 2.470 -12.851 1.00 0.00 C ATOM 1001 C HIS A 67 -33.537 3.179 -11.542 1.00 0.00 C ATOM 1002 O HIS A 67 -34.222 4.121 -11.143 1.00 0.00 O ATOM 1003 CB HIS A 67 -34.139 0.988 -12.588 1.00 0.00 C ATOM 1004 CG HIS A 67 -34.982 0.336 -13.640 1.00 0.00 C ATOM 1005 ND1 HIS A 67 -36.357 0.426 -13.665 1.00 0.00 N ATOM 1006 CD2 HIS A 67 -34.636 -0.418 -14.710 1.00 0.00 C ATOM 1007 CE1 HIS A 67 -36.822 -0.245 -14.704 1.00 0.00 C ATOM 1008 NE2 HIS A 67 -35.797 -0.767 -15.354 1.00 0.00 N ATOM 0 H HIS A 67 -32.348 1.748 -14.103 1.00 0.00 H new ATOM 0 HA HIS A 67 -34.765 2.926 -13.273 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -33.188 0.461 -12.518 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -34.633 0.883 -11.622 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -33.633 -0.694 -15.002 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -37.862 -0.349 -14.975 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -35.858 -1.337 -16.198 1.00 0.00 H new ATOM 1016 N CYS A 68 -32.482 2.720 -10.877 1.00 0.00 N ATOM 1017 CA CYS A 68 -32.059 3.308 -9.612 1.00 0.00 C ATOM 1018 C CYS A 68 -30.956 4.340 -9.834 1.00 0.00 C ATOM 1019 O CYS A 68 -30.988 5.430 -9.266 1.00 0.00 O ATOM 1020 CB CYS A 68 -31.569 2.219 -8.657 1.00 0.00 C ATOM 1021 SG CYS A 68 -30.113 1.303 -9.258 1.00 0.00 S ATOM 0 H CYS A 68 -31.904 1.942 -11.194 1.00 0.00 H new ATOM 0 HA CYS A 68 -32.919 3.810 -9.168 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -31.327 2.675 -7.697 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -32.381 1.514 -8.480 1.00 0.00 H new ATOM 0 HG CYS A 68 -30.223 1.105 -10.538 1.00 0.00 H new ATOM 1026 N GLY A 69 -29.981 3.985 -10.665 1.00 0.00 N ATOM 1027 CA GLY A 69 -28.882 4.890 -10.948 1.00 0.00 C ATOM 1028 C GLY A 69 -27.589 4.457 -10.285 1.00 0.00 C ATOM 1029 O GLY A 69 -26.740 5.287 -9.961 1.00 0.00 O ATOM 0 H GLY A 69 -29.932 3.087 -11.147 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -28.732 4.949 -12.026 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -29.144 5.892 -10.608 1.00 0.00 H new ATOM 1033 N LYS A 70 -27.439 3.153 -10.081 1.00 0.00 N ATOM 1034 CA LYS A 70 -26.241 2.609 -9.452 1.00 0.00 C ATOM 1035 C LYS A 70 -25.012 2.846 -10.325 1.00 0.00 C ATOM 1036 O LYS A 70 -25.116 2.923 -11.549 1.00 0.00 O ATOM 1037 CB LYS A 70 -26.412 1.111 -9.190 1.00 0.00 C ATOM 1038 CG LYS A 70 -25.656 0.617 -7.969 1.00 0.00 C ATOM 1039 CD LYS A 70 -25.769 -0.890 -7.815 1.00 0.00 C ATOM 1040 CE LYS A 70 -25.201 -1.359 -6.484 1.00 0.00 C ATOM 1041 NZ LYS A 70 -25.669 -2.729 -6.134 1.00 0.00 N ATOM 0 H LYS A 70 -28.133 2.452 -10.342 1.00 0.00 H new ATOM 0 HA LYS A 70 -26.095 3.123 -8.502 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -27.472 0.891 -9.064 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -26.074 0.557 -10.065 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -24.606 0.897 -8.052 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -26.047 1.105 -7.076 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -26.815 -1.187 -7.890 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -25.239 -1.381 -8.631 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -24.112 -1.348 -6.529 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -25.495 -0.663 -5.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -25.221 -3.033 -5.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -26.702 -2.723 -6.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -25.411 -3.389 -6.895 1.00 0.00 H new ATOM 1055 N GLN A 71 -23.852 2.961 -9.687 1.00 0.00 N ATOM 1056 CA GLN A 71 -22.604 3.188 -10.407 1.00 0.00 C ATOM 1057 C GLN A 71 -21.498 2.281 -9.879 1.00 0.00 C ATOM 1058 O GLN A 71 -20.836 2.601 -8.891 1.00 0.00 O ATOM 1059 CB GLN A 71 -22.181 4.653 -10.285 1.00 0.00 C ATOM 1060 CG GLN A 71 -22.861 5.569 -11.290 1.00 0.00 C ATOM 1061 CD GLN A 71 -22.014 6.773 -11.649 1.00 0.00 C ATOM 1062 OE1 GLN A 71 -21.921 7.732 -10.882 1.00 0.00 O ATOM 1063 NE2 GLN A 71 -21.390 6.730 -12.820 1.00 0.00 N ATOM 0 H GLN A 71 -23.750 2.901 -8.674 1.00 0.00 H new ATOM 0 HA GLN A 71 -22.771 2.951 -11.458 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -22.404 5.004 -9.277 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -21.101 4.723 -10.415 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -23.086 5.005 -12.195 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -23.813 5.908 -10.881 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -21.495 5.915 -13.424 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -20.805 7.512 -13.115 1.00 0.00 H new ATOM 1072 N LEU A 72 -21.302 1.147 -10.543 1.00 0.00 N ATOM 1073 CA LEU A 72 -20.276 0.192 -10.141 1.00 0.00 C ATOM 1074 C LEU A 72 -19.168 0.111 -11.186 1.00 0.00 C ATOM 1075 O LEU A 72 -19.327 0.583 -12.312 1.00 0.00 O ATOM 1076 CB LEU A 72 -20.893 -1.191 -9.928 1.00 0.00 C ATOM 1077 CG LEU A 72 -21.829 -1.331 -8.726 1.00 0.00 C ATOM 1078 CD1 LEU A 72 -22.577 -2.653 -8.783 1.00 0.00 C ATOM 1079 CD2 LEU A 72 -21.047 -1.213 -7.426 1.00 0.00 C ATOM 0 H LEU A 72 -21.841 0.867 -11.363 1.00 0.00 H new ATOM 0 HA LEU A 72 -19.841 0.537 -9.203 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -21.446 -1.462 -10.827 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -20.085 -1.915 -9.820 1.00 0.00 H new ATOM 0 HG LEU A 72 -22.560 -0.523 -8.762 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -23.238 -2.735 -7.920 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -23.168 -2.698 -9.698 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -21.862 -3.476 -8.772 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -21.728 -1.315 -6.581 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -20.294 -2.000 -7.382 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -20.558 -0.240 -7.383 1.00 0.00 H new ATOM 1091 N ARG A 73 -18.046 -0.492 -10.806 1.00 0.00 N ATOM 1092 CA ARG A 73 -16.912 -0.636 -11.711 1.00 0.00 C ATOM 1093 C ARG A 73 -16.928 -2.002 -12.391 1.00 0.00 C ATOM 1094 O ARG A 73 -16.483 -2.145 -13.529 1.00 0.00 O ATOM 1095 CB ARG A 73 -15.598 -0.449 -10.950 1.00 0.00 C ATOM 1096 CG ARG A 73 -15.393 -1.458 -9.832 1.00 0.00 C ATOM 1097 CD ARG A 73 -13.916 -1.706 -9.569 1.00 0.00 C ATOM 1098 NE ARG A 73 -13.380 -0.797 -8.559 1.00 0.00 N ATOM 1099 CZ ARG A 73 -12.217 -0.983 -7.946 1.00 0.00 C ATOM 1100 NH1 ARG A 73 -11.471 -2.040 -8.238 1.00 0.00 N ATOM 1101 NH2 ARG A 73 -11.797 -0.111 -7.038 1.00 0.00 N ATOM 0 H ARG A 73 -17.898 -0.888 -9.878 1.00 0.00 H new ATOM 0 HA ARG A 73 -16.993 0.134 -12.479 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -14.768 -0.524 -11.652 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -15.571 0.556 -10.530 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -15.870 -1.095 -8.921 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.880 -2.397 -10.094 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -13.774 -2.736 -9.242 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -13.357 -1.587 -10.497 1.00 0.00 H new ATOM 0 HE ARG A 73 -13.929 0.026 -8.311 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -11.790 -2.713 -8.935 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -10.578 -2.180 -7.765 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -12.368 0.703 -6.810 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -10.903 -0.255 -6.568 1.00 0.00 H new ATOM 1115 N SER A 74 -17.445 -3.003 -11.684 1.00 0.00 N ATOM 1116 CA SER A 74 -17.515 -4.358 -12.217 1.00 0.00 C ATOM 1117 C SER A 74 -18.877 -4.621 -12.853 1.00 0.00 C ATOM 1118 O SER A 74 -19.894 -4.694 -12.163 1.00 0.00 O ATOM 1119 CB SER A 74 -17.251 -5.379 -11.109 1.00 0.00 C ATOM 1120 OG SER A 74 -18.221 -5.277 -10.080 1.00 0.00 O ATOM 0 H SER A 74 -17.821 -2.900 -10.741 1.00 0.00 H new ATOM 0 HA SER A 74 -16.748 -4.460 -12.985 1.00 0.00 H new ATOM 0 HB2 SER A 74 -17.264 -6.386 -11.527 1.00 0.00 H new ATOM 0 HB3 SER A 74 -16.256 -5.220 -10.693 1.00 0.00 H new ATOM 0 HG SER A 74 -19.086 -5.030 -10.469 1.00 0.00 H new ATOM 1126 N LEU A 75 -18.888 -4.764 -14.174 1.00 0.00 N ATOM 1127 CA LEU A 75 -20.124 -5.019 -14.906 1.00 0.00 C ATOM 1128 C LEU A 75 -20.988 -6.040 -14.174 1.00 0.00 C ATOM 1129 O LEU A 75 -22.084 -5.723 -13.711 1.00 0.00 O ATOM 1130 CB LEU A 75 -19.810 -5.517 -16.318 1.00 0.00 C ATOM 1131 CG LEU A 75 -20.988 -5.559 -17.292 1.00 0.00 C ATOM 1132 CD1 LEU A 75 -21.447 -4.151 -17.636 1.00 0.00 C ATOM 1133 CD2 LEU A 75 -20.610 -6.322 -18.553 1.00 0.00 C ATOM 0 H LEU A 75 -18.055 -4.708 -14.760 1.00 0.00 H new ATOM 0 HA LEU A 75 -20.678 -4.083 -14.973 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -19.036 -4.879 -16.743 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -19.390 -6.520 -16.243 1.00 0.00 H new ATOM 0 HG LEU A 75 -21.815 -6.080 -16.810 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -22.286 -4.201 -18.330 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -21.759 -3.638 -16.726 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -20.626 -3.603 -18.098 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -21.460 -6.342 -19.235 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -19.767 -5.829 -19.038 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -20.331 -7.343 -18.291 1.00 0.00 H new ATOM 1145 N ALA A 76 -20.488 -7.267 -14.072 1.00 0.00 N ATOM 1146 CA ALA A 76 -21.212 -8.334 -13.393 1.00 0.00 C ATOM 1147 C ALA A 76 -21.931 -7.808 -12.155 1.00 0.00 C ATOM 1148 O ALA A 76 -23.160 -7.755 -12.115 1.00 0.00 O ATOM 1149 CB ALA A 76 -20.262 -9.460 -13.015 1.00 0.00 C ATOM 0 H ALA A 76 -19.583 -7.547 -14.451 1.00 0.00 H new ATOM 0 HA ALA A 76 -21.963 -8.723 -14.080 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -20.817 -10.250 -12.509 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -19.798 -9.863 -13.916 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -19.489 -9.076 -12.349 1.00 0.00 H new ATOM 1155 N GLY A 77 -21.157 -7.421 -11.146 1.00 0.00 N ATOM 1156 CA GLY A 77 -21.738 -6.905 -9.921 1.00 0.00 C ATOM 1157 C GLY A 77 -23.019 -6.132 -10.167 1.00 0.00 C ATOM 1158 O GLY A 77 -24.046 -6.409 -9.548 1.00 0.00 O ATOM 0 H GLY A 77 -20.138 -7.456 -11.155 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -21.942 -7.733 -9.242 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -21.016 -6.257 -9.425 1.00 0.00 H new ATOM 1162 N MET A 78 -22.957 -5.161 -11.071 1.00 0.00 N ATOM 1163 CA MET A 78 -24.122 -4.346 -11.397 1.00 0.00 C ATOM 1164 C MET A 78 -25.278 -5.217 -11.878 1.00 0.00 C ATOM 1165 O MET A 78 -26.397 -5.115 -11.376 1.00 0.00 O ATOM 1166 CB MET A 78 -23.766 -3.313 -12.468 1.00 0.00 C ATOM 1167 CG MET A 78 -24.935 -2.937 -13.363 1.00 0.00 C ATOM 1168 SD MET A 78 -24.497 -1.695 -14.594 1.00 0.00 S ATOM 1169 CE MET A 78 -23.918 -0.366 -13.543 1.00 0.00 C ATOM 0 H MET A 78 -22.113 -4.919 -11.591 1.00 0.00 H new ATOM 0 HA MET A 78 -24.435 -3.826 -10.491 1.00 0.00 H new ATOM 0 HB2 MET A 78 -23.387 -2.414 -11.982 1.00 0.00 H new ATOM 0 HB3 MET A 78 -22.958 -3.706 -13.085 1.00 0.00 H new ATOM 0 HG2 MET A 78 -25.302 -3.830 -13.869 1.00 0.00 H new ATOM 0 HG3 MET A 78 -25.752 -2.560 -12.748 1.00 0.00 H new ATOM 0 HE1 MET A 78 -24.160 0.593 -14.002 1.00 0.00 H new ATOM 0 HE2 MET A 78 -24.403 -0.435 -12.569 1.00 0.00 H new ATOM 0 HE3 MET A 78 -22.838 -0.446 -13.417 1.00 0.00 H new ATOM 1179 N LYS A 79 -25.000 -6.073 -12.855 1.00 0.00 N ATOM 1180 CA LYS A 79 -26.015 -6.964 -13.405 1.00 0.00 C ATOM 1181 C LYS A 79 -26.814 -7.632 -12.290 1.00 0.00 C ATOM 1182 O LYS A 79 -28.007 -7.898 -12.442 1.00 0.00 O ATOM 1183 CB LYS A 79 -25.364 -8.030 -14.289 1.00 0.00 C ATOM 1184 CG LYS A 79 -24.558 -7.455 -15.441 1.00 0.00 C ATOM 1185 CD LYS A 79 -25.375 -7.400 -16.721 1.00 0.00 C ATOM 1186 CE LYS A 79 -24.974 -6.217 -17.589 1.00 0.00 C ATOM 1187 NZ LYS A 79 -26.111 -5.724 -18.414 1.00 0.00 N ATOM 0 H LYS A 79 -24.079 -6.169 -13.283 1.00 0.00 H new ATOM 0 HA LYS A 79 -26.697 -6.367 -14.010 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -24.712 -8.651 -13.675 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -26.140 -8.682 -14.689 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -24.217 -6.452 -15.183 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -23.668 -8.063 -15.602 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -25.239 -8.326 -17.280 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -26.434 -7.329 -16.475 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -24.608 -5.409 -16.955 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -24.151 -6.508 -18.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -25.797 -4.918 -18.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -26.444 -6.487 -19.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -26.887 -5.422 -17.791 1.00 0.00 H new ATOM 1201 N TYR A 80 -26.150 -7.898 -11.171 1.00 0.00 N ATOM 1202 CA TYR A 80 -26.799 -8.536 -10.031 1.00 0.00 C ATOM 1203 C TYR A 80 -27.706 -7.551 -9.300 1.00 0.00 C ATOM 1204 O TYR A 80 -28.841 -7.877 -8.949 1.00 0.00 O ATOM 1205 CB TYR A 80 -25.750 -9.093 -9.067 1.00 0.00 C ATOM 1206 CG TYR A 80 -26.207 -10.328 -8.323 1.00 0.00 C ATOM 1207 CD1 TYR A 80 -26.559 -11.484 -9.007 1.00 0.00 C ATOM 1208 CD2 TYR A 80 -26.287 -10.337 -6.936 1.00 0.00 C ATOM 1209 CE1 TYR A 80 -26.978 -12.615 -8.332 1.00 0.00 C ATOM 1210 CE2 TYR A 80 -26.703 -11.463 -6.252 1.00 0.00 C ATOM 1211 CZ TYR A 80 -27.048 -12.599 -6.954 1.00 0.00 C ATOM 1212 OH TYR A 80 -27.464 -13.722 -6.277 1.00 0.00 O ATOM 0 H TYR A 80 -25.163 -7.682 -11.028 1.00 0.00 H new ATOM 0 HA TYR A 80 -27.411 -9.357 -10.405 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -24.845 -9.330 -9.626 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -25.486 -8.321 -8.345 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -26.504 -11.500 -10.086 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -26.019 -9.449 -6.383 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -27.249 -13.506 -8.880 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -26.758 -11.454 -5.173 1.00 0.00 H new ATOM 0 HH TYR A 80 -27.456 -13.545 -5.313 1.00 0.00 H new ATOM 1222 N HIS A 81 -27.198 -6.344 -9.073 1.00 0.00 N ATOM 1223 CA HIS A 81 -27.962 -5.310 -8.384 1.00 0.00 C ATOM 1224 C HIS A 81 -29.392 -5.249 -8.912 1.00 0.00 C ATOM 1225 O HIS A 81 -30.337 -5.042 -8.151 1.00 0.00 O ATOM 1226 CB HIS A 81 -27.285 -3.949 -8.552 1.00 0.00 C ATOM 1227 CG HIS A 81 -27.813 -3.156 -9.708 1.00 0.00 C ATOM 1228 ND1 HIS A 81 -27.023 -2.736 -10.757 1.00 0.00 N ATOM 1229 CD2 HIS A 81 -29.062 -2.707 -9.976 1.00 0.00 C ATOM 1230 CE1 HIS A 81 -27.762 -2.062 -11.620 1.00 0.00 C ATOM 1231 NE2 HIS A 81 -29.004 -2.030 -11.169 1.00 0.00 N ATOM 0 H HIS A 81 -26.261 -6.058 -9.356 1.00 0.00 H new ATOM 0 HA HIS A 81 -27.995 -5.562 -7.324 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -27.415 -3.372 -7.636 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -26.214 -4.099 -8.684 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -29.940 -2.854 -9.365 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -27.411 -1.614 -12.538 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -29.791 -1.576 -11.632 1.00 0.00 H new ATOM 1239 N VAL A 82 -29.543 -5.429 -10.220 1.00 0.00 N ATOM 1240 CA VAL A 82 -30.858 -5.394 -10.850 1.00 0.00 C ATOM 1241 C VAL A 82 -31.696 -6.599 -10.438 1.00 0.00 C ATOM 1242 O VAL A 82 -32.767 -6.450 -9.850 1.00 0.00 O ATOM 1243 CB VAL A 82 -30.744 -5.363 -12.386 1.00 0.00 C ATOM 1244 CG1 VAL A 82 -32.121 -5.448 -13.025 1.00 0.00 C ATOM 1245 CG2 VAL A 82 -30.012 -4.109 -12.840 1.00 0.00 C ATOM 0 H VAL A 82 -28.771 -5.601 -10.864 1.00 0.00 H new ATOM 0 HA VAL A 82 -31.348 -4.481 -10.511 1.00 0.00 H new ATOM 0 HB VAL A 82 -30.167 -6.230 -12.708 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -32.021 -5.425 -14.110 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -32.604 -6.378 -12.725 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -32.726 -4.603 -12.698 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -29.940 -4.103 -13.928 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -30.560 -3.227 -12.508 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -29.010 -4.097 -12.410 1.00 0.00 H new ATOM 1255 N MET A 83 -31.201 -7.792 -10.749 1.00 0.00 N ATOM 1256 CA MET A 83 -31.904 -9.024 -10.409 1.00 0.00 C ATOM 1257 C MET A 83 -32.099 -9.140 -8.901 1.00 0.00 C ATOM 1258 O MET A 83 -32.900 -9.946 -8.429 1.00 0.00 O ATOM 1259 CB MET A 83 -31.133 -10.238 -10.931 1.00 0.00 C ATOM 1260 CG MET A 83 -31.164 -10.372 -12.445 1.00 0.00 C ATOM 1261 SD MET A 83 -30.140 -11.731 -13.042 1.00 0.00 S ATOM 1262 CE MET A 83 -28.643 -10.856 -13.489 1.00 0.00 C ATOM 0 H MET A 83 -30.316 -7.932 -11.236 1.00 0.00 H new ATOM 0 HA MET A 83 -32.885 -8.995 -10.883 1.00 0.00 H new ATOM 0 HB2 MET A 83 -30.096 -10.169 -10.602 1.00 0.00 H new ATOM 0 HB3 MET A 83 -31.549 -11.142 -10.486 1.00 0.00 H new ATOM 0 HG2 MET A 83 -32.192 -10.526 -12.771 1.00 0.00 H new ATOM 0 HG3 MET A 83 -30.823 -9.440 -12.896 1.00 0.00 H new ATOM 0 HE1 MET A 83 -27.958 -11.540 -13.990 1.00 0.00 H new ATOM 0 HE2 MET A 83 -28.889 -10.033 -14.159 1.00 0.00 H new ATOM 0 HE3 MET A 83 -28.169 -10.462 -12.590 1.00 0.00 H new ATOM 1272 N ALA A 84 -31.360 -8.330 -8.149 1.00 0.00 N ATOM 1273 CA ALA A 84 -31.453 -8.342 -6.695 1.00 0.00 C ATOM 1274 C ALA A 84 -32.507 -7.355 -6.204 1.00 0.00 C ATOM 1275 O ALA A 84 -33.549 -7.753 -5.685 1.00 0.00 O ATOM 1276 CB ALA A 84 -30.099 -8.022 -6.077 1.00 0.00 C ATOM 0 H ALA A 84 -30.691 -7.658 -8.523 1.00 0.00 H new ATOM 0 HA ALA A 84 -31.756 -9.342 -6.383 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -30.183 -8.034 -4.990 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -29.369 -8.768 -6.393 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -29.774 -7.035 -6.405 1.00 0.00 H new ATOM 1282 N ASN A 85 -32.229 -6.067 -6.372 1.00 0.00 N ATOM 1283 CA ASN A 85 -33.153 -5.023 -5.944 1.00 0.00 C ATOM 1284 C ASN A 85 -34.365 -4.958 -6.869 1.00 0.00 C ATOM 1285 O ASN A 85 -35.508 -4.931 -6.412 1.00 0.00 O ATOM 1286 CB ASN A 85 -32.446 -3.667 -5.916 1.00 0.00 C ATOM 1287 CG ASN A 85 -31.587 -3.489 -4.679 1.00 0.00 C ATOM 1288 OD1 ASN A 85 -32.065 -3.042 -3.636 1.00 0.00 O ATOM 1289 ND2 ASN A 85 -30.310 -3.838 -4.791 1.00 0.00 N ATOM 0 H ASN A 85 -31.371 -5.721 -6.802 1.00 0.00 H new ATOM 0 HA ASN A 85 -33.497 -5.266 -4.939 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -31.823 -3.566 -6.805 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -33.190 -2.871 -5.956 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -29.683 -3.740 -3.993 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -29.957 -4.204 -5.675 1.00 0.00 H new ATOM 1296 N HIS A 86 -34.107 -4.933 -8.173 1.00 0.00 N ATOM 1297 CA HIS A 86 -35.177 -4.872 -9.163 1.00 0.00 C ATOM 1298 C HIS A 86 -35.693 -6.270 -9.491 1.00 0.00 C ATOM 1299 O HIS A 86 -36.045 -6.559 -10.633 1.00 0.00 O ATOM 1300 CB HIS A 86 -34.683 -4.187 -10.437 1.00 0.00 C ATOM 1301 CG HIS A 86 -34.010 -2.872 -10.188 1.00 0.00 C ATOM 1302 ND1 HIS A 86 -34.412 -1.996 -9.201 1.00 0.00 N ATOM 1303 CD2 HIS A 86 -32.955 -2.286 -10.802 1.00 0.00 C ATOM 1304 CE1 HIS A 86 -33.634 -0.928 -9.221 1.00 0.00 C ATOM 1305 NE2 HIS A 86 -32.742 -1.079 -10.183 1.00 0.00 N ATOM 0 H HIS A 86 -33.167 -4.954 -8.569 1.00 0.00 H new ATOM 0 HA HIS A 86 -35.997 -4.290 -8.741 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -33.987 -4.851 -10.950 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -35.528 -4.032 -11.107 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -32.387 -2.692 -11.626 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -33.714 -0.076 -8.562 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -32.013 -0.408 -10.427 1.00 0.00 H new