USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 607 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 79 THR OG1 : rot -88:sc= 1.16 USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= 1.15 USER MOD Single : A 23 TYR OH : rot 180:sc= -0.591 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 GLN :FLIP amide:sc= -0.531 F(o=-1.2,f=-0.53) USER MOD Single : A 37 MET CE :methyl -179:sc= -3.3 (180deg=-3.3) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.131) USER MOD Single : A 56 ASN : amide:sc= -0.0644 X(o=-0.064,f=-0.0014) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -148:sc= -0.162 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 80 SER OG : rot -56:sc= 0.353 USER MOD Single : A 82 LYS NZ :NH3+ 163:sc= 1.87 (180deg=1.53) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 102 SER OG : rot 180:sc= 0.00839 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 151:sc= -0.148 (180deg=-0.812) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.579 USER MOD Single : A 109 THR OG1 : rot -52:sc= 1.35 USER MOD ----------------------------------------------------------------- ATOM 257 N ALA A 19 -29.875 -13.678 -15.904 1.00 53.04 N ATOM 258 CA ALA A 19 -29.071 -12.981 -16.901 1.00 45.51 C ATOM 259 C ALA A 19 -27.583 -13.092 -16.580 1.00 1.43 C ATOM 260 O ALA A 19 -26.858 -13.858 -17.215 1.00 52.03 O ATOM 261 CB ALA A 19 -29.486 -11.520 -16.986 1.00 65.02 C ATOM 0 HA ALA A 19 -29.245 -13.454 -17.868 1.00 45.51 H new ATOM 0 HB1 ALA A 19 -28.878 -11.012 -17.734 1.00 65.02 H new ATOM 0 HB2 ALA A 19 -30.537 -11.456 -17.269 1.00 65.02 H new ATOM 0 HB3 ALA A 19 -29.341 -11.044 -16.016 1.00 65.02 H new ATOM 267 N GLU A 20 -27.136 -12.324 -15.591 1.00 62.00 N ATOM 268 CA GLU A 20 -25.735 -12.336 -15.190 1.00 5.35 C ATOM 269 C GLU A 20 -25.525 -13.239 -13.978 1.00 25.12 C ATOM 270 O GLU A 20 -25.732 -12.824 -12.837 1.00 63.42 O ATOM 271 CB GLU A 20 -25.260 -10.917 -14.870 1.00 32.11 C ATOM 272 CG GLU A 20 -23.750 -10.755 -14.916 1.00 23.33 C ATOM 273 CD GLU A 20 -23.302 -9.759 -15.968 1.00 54.40 C ATOM 274 OE1 GLU A 20 -23.636 -8.564 -15.833 1.00 60.03 O ATOM 275 OE2 GLU A 20 -22.619 -10.175 -16.927 1.00 62.20 O ATOM 0 H GLU A 20 -27.724 -11.687 -15.054 1.00 62.00 H new ATOM 0 HA GLU A 20 -25.149 -12.728 -16.021 1.00 5.35 H new ATOM 0 HB2 GLU A 20 -25.713 -10.223 -15.578 1.00 32.11 H new ATOM 0 HB3 GLU A 20 -25.617 -10.639 -13.878 1.00 32.11 H new ATOM 0 HG2 GLU A 20 -23.393 -10.431 -13.939 1.00 23.33 H new ATOM 0 HG3 GLU A 20 -23.290 -11.723 -15.118 1.00 23.33 H new ATOM 282 N TRP A 21 -25.113 -14.476 -14.234 1.00 14.41 N ATOM 283 CA TRP A 21 -24.876 -15.438 -13.163 1.00 11.23 C ATOM 284 C TRP A 21 -23.698 -15.009 -12.298 1.00 44.53 C ATOM 285 O TRP A 21 -22.584 -14.829 -12.791 1.00 21.11 O ATOM 286 CB TRP A 21 -24.615 -16.827 -13.748 1.00 3.22 C ATOM 287 CG TRP A 21 -25.854 -17.499 -14.261 1.00 32.51 C ATOM 288 CD1 TRP A 21 -26.215 -17.664 -15.568 1.00 55.11 C ATOM 289 CD2 TRP A 21 -26.895 -18.090 -13.477 1.00 12.24 C ATOM 290 NE1 TRP A 21 -27.419 -18.324 -15.643 1.00 4.53 N ATOM 291 CE2 TRP A 21 -27.855 -18.597 -14.374 1.00 13.32 C ATOM 292 CE3 TRP A 21 -27.109 -18.244 -12.105 1.00 43.00 C ATOM 293 CZ2 TRP A 21 -29.010 -19.244 -13.941 1.00 52.53 C ATOM 294 CZ3 TRP A 21 -28.255 -18.887 -11.676 1.00 73.31 C ATOM 295 CH2 TRP A 21 -29.193 -19.380 -12.592 1.00 14.21 C ATOM 0 H TRP A 21 -24.936 -14.836 -15.172 1.00 14.41 H new ATOM 0 HA TRP A 21 -25.768 -15.476 -12.537 1.00 11.23 H new ATOM 0 HB2 TRP A 21 -23.894 -16.741 -14.561 1.00 3.22 H new ATOM 0 HB3 TRP A 21 -24.160 -17.456 -12.983 1.00 3.22 H new ATOM 0 HD1 TRP A 21 -25.640 -17.326 -16.417 1.00 55.11 H new ATOM 0 HE1 TRP A 21 -27.908 -18.570 -16.504 1.00 4.53 H new ATOM 0 HE3 TRP A 21 -26.391 -17.867 -11.392 1.00 43.00 H new ATOM 0 HZ2 TRP A 21 -29.735 -19.625 -14.645 1.00 52.53 H new ATOM 0 HZ3 TRP A 21 -28.430 -19.011 -10.618 1.00 73.31 H new ATOM 0 HH2 TRP A 21 -30.079 -19.878 -12.226 1.00 14.21 H new ATOM 306 N LEU A 22 -23.949 -14.848 -11.003 1.00 40.04 N ATOM 307 CA LEU A 22 -22.908 -14.439 -10.066 1.00 23.01 C ATOM 308 C LEU A 22 -22.476 -15.608 -9.187 1.00 20.43 C ATOM 309 O LEU A 22 -23.218 -16.042 -8.305 1.00 41.04 O ATOM 310 CB LEU A 22 -23.403 -13.286 -9.192 1.00 71.11 C ATOM 311 CG LEU A 22 -24.856 -13.375 -8.723 1.00 64.13 C ATOM 312 CD1 LEU A 22 -24.960 -13.044 -7.243 1.00 2.41 C ATOM 313 CD2 LEU A 22 -25.739 -12.446 -9.543 1.00 22.41 C ATOM 0 H LEU A 22 -24.865 -14.994 -10.578 1.00 40.04 H new ATOM 0 HA LEU A 22 -22.047 -14.104 -10.644 1.00 23.01 H new ATOM 0 HB2 LEU A 22 -22.762 -13.222 -8.313 1.00 71.11 H new ATOM 0 HB3 LEU A 22 -23.278 -12.356 -9.747 1.00 71.11 H new ATOM 0 HG LEU A 22 -25.204 -14.398 -8.871 1.00 64.13 H new ATOM 0 HD11 LEU A 22 -26.001 -13.112 -6.927 1.00 2.41 H new ATOM 0 HD12 LEU A 22 -24.360 -13.750 -6.669 1.00 2.41 H new ATOM 0 HD13 LEU A 22 -24.594 -12.032 -7.070 1.00 2.41 H new ATOM 0 HD21 LEU A 22 -26.769 -12.523 -9.195 1.00 22.41 H new ATOM 0 HD22 LEU A 22 -25.392 -11.419 -9.428 1.00 22.41 H new ATOM 0 HD23 LEU A 22 -25.689 -12.730 -10.594 1.00 22.41 H new ATOM 325 N TYR A 23 -21.272 -16.115 -9.432 1.00 32.52 N ATOM 326 CA TYR A 23 -20.743 -17.235 -8.664 1.00 43.35 C ATOM 327 C TYR A 23 -19.755 -16.751 -7.606 1.00 53.33 C ATOM 328 O TYR A 23 -18.847 -15.973 -7.897 1.00 13.04 O ATOM 329 CB TYR A 23 -20.060 -18.239 -9.592 1.00 23.13 C ATOM 330 CG TYR A 23 -20.692 -18.325 -10.963 1.00 14.52 C ATOM 331 CD1 TYR A 23 -20.373 -17.408 -11.956 1.00 61.02 C ATOM 332 CD2 TYR A 23 -21.610 -19.325 -11.264 1.00 21.41 C ATOM 333 CE1 TYR A 23 -20.950 -17.482 -13.209 1.00 22.40 C ATOM 334 CE2 TYR A 23 -22.190 -19.408 -12.515 1.00 50.03 C ATOM 335 CZ TYR A 23 -21.857 -18.483 -13.483 1.00 33.33 C ATOM 336 OH TYR A 23 -22.432 -18.561 -14.732 1.00 13.33 O ATOM 0 H TYR A 23 -20.644 -15.767 -10.157 1.00 32.52 H new ATOM 0 HA TYR A 23 -21.577 -17.724 -8.161 1.00 43.35 H new ATOM 0 HB2 TYR A 23 -19.011 -17.964 -9.702 1.00 23.13 H new ATOM 0 HB3 TYR A 23 -20.084 -19.225 -9.128 1.00 23.13 H new ATOM 0 HD1 TYR A 23 -19.661 -16.623 -11.745 1.00 61.02 H new ATOM 0 HD2 TYR A 23 -21.874 -20.049 -10.507 1.00 21.41 H new ATOM 0 HE1 TYR A 23 -20.692 -16.760 -13.969 1.00 22.40 H new ATOM 0 HE2 TYR A 23 -22.900 -20.192 -12.734 1.00 50.03 H new ATOM 0 HH TYR A 23 -23.048 -19.323 -14.762 1.00 13.33 H new ATOM 346 N GLY A 24 -19.942 -17.217 -6.375 1.00 64.45 N ATOM 347 CA GLY A 24 -19.061 -16.821 -5.291 1.00 34.13 C ATOM 348 C GLY A 24 -17.709 -17.502 -5.366 1.00 22.12 C ATOM 349 O GLY A 24 -17.230 -17.828 -6.452 1.00 60.14 O ATOM 0 H GLY A 24 -20.687 -17.861 -6.109 1.00 64.45 H new ATOM 0 HA2 GLY A 24 -18.922 -15.740 -5.316 1.00 34.13 H new ATOM 0 HA3 GLY A 24 -19.533 -17.060 -4.338 1.00 34.13 H new ATOM 353 N SER A 25 -17.090 -17.715 -4.209 1.00 10.42 N ATOM 354 CA SER A 25 -15.782 -18.357 -4.148 1.00 12.31 C ATOM 355 C SER A 25 -15.867 -19.808 -4.609 1.00 24.22 C ATOM 356 O SER A 25 -16.948 -20.393 -4.661 1.00 11.55 O ATOM 357 CB SER A 25 -15.225 -18.293 -2.725 1.00 2.13 C ATOM 358 OG SER A 25 -16.027 -19.046 -1.829 1.00 20.11 O ATOM 0 H SER A 25 -17.473 -17.452 -3.301 1.00 10.42 H new ATOM 0 HA SER A 25 -15.110 -17.821 -4.818 1.00 12.31 H new ATOM 0 HB2 SER A 25 -14.204 -18.675 -2.713 1.00 2.13 H new ATOM 0 HB3 SER A 25 -15.181 -17.255 -2.395 1.00 2.13 H new ATOM 0 HG SER A 25 -15.649 -18.991 -0.926 1.00 20.11 H new ATOM 364 N CYS A 26 -14.716 -20.384 -4.944 1.00 52.22 N ATOM 365 CA CYS A 26 -14.658 -21.767 -5.402 1.00 62.12 C ATOM 366 C CYS A 26 -14.210 -22.695 -4.275 1.00 13.22 C ATOM 367 O CYS A 26 -13.299 -22.371 -3.514 1.00 70.51 O ATOM 368 CB CYS A 26 -13.701 -21.893 -6.589 1.00 72.13 C ATOM 369 SG CYS A 26 -14.525 -21.848 -8.214 1.00 65.22 S ATOM 0 H CYS A 26 -13.812 -19.914 -4.907 1.00 52.22 H new ATOM 0 HA CYS A 26 -15.659 -22.061 -5.717 1.00 62.12 H new ATOM 0 HB2 CYS A 26 -12.971 -21.085 -6.541 1.00 72.13 H new ATOM 0 HB3 CYS A 26 -13.148 -22.828 -6.499 1.00 72.13 H new ATOM 375 N VAL A 27 -14.861 -23.850 -4.175 1.00 44.41 N ATOM 376 CA VAL A 27 -14.531 -24.826 -3.142 1.00 72.03 C ATOM 377 C VAL A 27 -13.853 -26.051 -3.741 1.00 2.24 C ATOM 378 O VAL A 27 -14.350 -26.641 -4.701 1.00 61.24 O ATOM 379 CB VAL A 27 -15.786 -25.272 -2.369 1.00 62.12 C ATOM 380 CG1 VAL A 27 -15.399 -26.111 -1.161 1.00 74.45 C ATOM 381 CG2 VAL A 27 -16.611 -24.064 -1.949 1.00 33.05 C ATOM 0 H VAL A 27 -15.619 -24.133 -4.796 1.00 44.41 H new ATOM 0 HA VAL A 27 -13.844 -24.336 -2.451 1.00 72.03 H new ATOM 0 HB VAL A 27 -16.397 -25.888 -3.028 1.00 62.12 H new ATOM 0 HG11 VAL A 27 -16.299 -26.417 -0.627 1.00 74.45 H new ATOM 0 HG12 VAL A 27 -14.855 -26.996 -1.492 1.00 74.45 H new ATOM 0 HG13 VAL A 27 -14.766 -25.523 -0.497 1.00 74.45 H new ATOM 0 HG21 VAL A 27 -17.494 -24.398 -1.404 1.00 33.05 H new ATOM 0 HG22 VAL A 27 -16.011 -23.419 -1.307 1.00 33.05 H new ATOM 0 HG23 VAL A 27 -16.920 -23.509 -2.835 1.00 33.05 H new ATOM 391 N ALA A 28 -12.715 -26.431 -3.168 1.00 32.54 N ATOM 392 CA ALA A 28 -11.970 -27.591 -3.645 1.00 53.11 C ATOM 393 C ALA A 28 -12.529 -28.882 -3.056 1.00 61.11 C ATOM 394 O ALA A 28 -13.029 -28.898 -1.933 1.00 73.53 O ATOM 395 CB ALA A 28 -10.495 -27.447 -3.301 1.00 10.21 C ATOM 0 H ALA A 28 -12.289 -25.953 -2.374 1.00 32.54 H new ATOM 0 HA ALA A 28 -12.076 -27.641 -4.729 1.00 53.11 H new ATOM 0 HB1 ALA A 28 -9.950 -28.319 -3.662 1.00 10.21 H new ATOM 0 HB2 ALA A 28 -10.097 -26.549 -3.774 1.00 10.21 H new ATOM 0 HB3 ALA A 28 -10.379 -27.369 -2.220 1.00 10.21 H new ATOM 401 N ASN A 29 -12.440 -29.964 -3.825 1.00 50.04 N ATOM 402 CA ASN A 29 -12.937 -31.260 -3.380 1.00 55.00 C ATOM 403 C ASN A 29 -11.949 -31.925 -2.426 1.00 45.54 C ATOM 404 O ASN A 29 -12.336 -32.450 -1.383 1.00 61.20 O ATOM 405 CB ASN A 29 -13.194 -32.170 -4.582 1.00 13.35 C ATOM 406 CG ASN A 29 -13.931 -33.440 -4.198 1.00 34.40 C ATOM 407 OD1 ASN A 29 -15.031 -33.390 -3.645 1.00 64.45 O ATOM 408 ND2 ASN A 29 -13.329 -34.587 -4.493 1.00 74.53 N ATOM 0 H ASN A 29 -12.028 -29.968 -4.758 1.00 50.04 H new ATOM 0 HA ASN A 29 -13.874 -31.098 -2.848 1.00 55.00 H new ATOM 0 HB2 ASN A 29 -13.775 -31.627 -5.328 1.00 13.35 H new ATOM 0 HB3 ASN A 29 -12.243 -32.431 -5.047 1.00 13.35 H new ATOM 0 HD21 ASN A 29 -13.778 -35.473 -4.261 1.00 74.53 H new ATOM 0 HD22 ASN A 29 -12.418 -34.582 -4.951 1.00 74.53 H new ATOM 415 N ASN A 30 -10.672 -31.894 -2.792 1.00 1.42 N ATOM 416 CA ASN A 30 -9.627 -32.494 -1.968 1.00 43.54 C ATOM 417 C ASN A 30 -9.642 -31.906 -0.559 1.00 30.13 C ATOM 418 O ASN A 30 -9.200 -32.546 0.394 1.00 53.31 O ATOM 419 CB ASN A 30 -8.256 -32.275 -2.609 1.00 62.34 C ATOM 420 CG ASN A 30 -7.652 -33.563 -3.135 1.00 61.32 C ATOM 421 OD1 ASN A 30 -7.285 -34.450 -2.365 1.00 22.41 O ATOM 422 ND2 ASN A 30 -7.548 -33.672 -4.455 1.00 12.31 N ATOM 0 H ASN A 30 -10.335 -31.461 -3.652 1.00 1.42 H new ATOM 0 HA ASN A 30 -9.822 -33.564 -1.899 1.00 43.54 H new ATOM 0 HB2 ASN A 30 -8.350 -31.560 -3.427 1.00 62.34 H new ATOM 0 HB3 ASN A 30 -7.581 -31.833 -1.876 1.00 62.34 H new ATOM 0 HD21 ASN A 30 -7.151 -34.516 -4.867 1.00 12.31 H new ATOM 0 HD22 ASN A 30 -7.865 -32.911 -5.056 1.00 12.31 H new ATOM 429 N GLY A 31 -10.153 -30.686 -0.438 1.00 43.34 N ATOM 430 CA GLY A 31 -10.215 -30.033 0.857 1.00 74.50 C ATOM 431 C GLY A 31 -9.546 -28.673 0.855 1.00 2.12 C ATOM 432 O GLY A 31 -10.218 -27.642 0.904 1.00 3.32 O ATOM 0 H GLY A 31 -10.525 -30.137 -1.213 1.00 43.34 H new ATOM 0 HA2 GLY A 31 -11.258 -29.921 1.154 1.00 74.50 H new ATOM 0 HA3 GLY A 31 -9.738 -30.668 1.603 1.00 74.50 H new ATOM 436 N ASP A 32 -8.218 -28.670 0.799 1.00 31.21 N ATOM 437 CA ASP A 32 -7.457 -27.426 0.791 1.00 23.44 C ATOM 438 C ASP A 32 -7.522 -26.758 -0.579 1.00 43.15 C ATOM 439 O ASP A 32 -8.048 -25.654 -0.718 1.00 44.42 O ATOM 440 CB ASP A 32 -6.001 -27.693 1.173 1.00 42.11 C ATOM 441 CG ASP A 32 -5.332 -26.481 1.794 1.00 31.24 C ATOM 442 OD1 ASP A 32 -5.499 -25.369 1.249 1.00 14.12 O ATOM 443 OD2 ASP A 32 -4.645 -26.643 2.823 1.00 23.15 O ATOM 0 H ASP A 32 -7.647 -29.514 0.759 1.00 31.21 H new ATOM 0 HA ASP A 32 -7.900 -26.753 1.525 1.00 23.44 H new ATOM 0 HB2 ASP A 32 -5.960 -28.526 1.875 1.00 42.11 H new ATOM 0 HB3 ASP A 32 -5.445 -27.996 0.285 1.00 42.11 H new ATOM 448 N CYS A 33 -6.984 -27.435 -1.588 1.00 41.31 N ATOM 449 CA CYS A 33 -6.979 -26.906 -2.947 1.00 63.12 C ATOM 450 C CYS A 33 -6.953 -28.038 -3.971 1.00 44.33 C ATOM 451 O CYS A 33 -6.408 -29.110 -3.711 1.00 15.04 O ATOM 452 CB CYS A 33 -5.773 -25.988 -3.155 1.00 50.23 C ATOM 453 SG CYS A 33 -4.247 -26.569 -2.346 1.00 31.30 S ATOM 0 H CYS A 33 -6.546 -28.351 -1.490 1.00 41.31 H new ATOM 0 HA CYS A 33 -7.894 -26.331 -3.090 1.00 63.12 H new ATOM 0 HB2 CYS A 33 -5.588 -25.886 -4.224 1.00 50.23 H new ATOM 0 HB3 CYS A 33 -6.016 -24.995 -2.777 1.00 50.23 H new ATOM 459 N GLY A 34 -7.546 -27.789 -5.134 1.00 10.13 N ATOM 460 CA GLY A 34 -7.580 -28.797 -6.179 1.00 41.13 C ATOM 461 C GLY A 34 -8.911 -28.836 -6.902 1.00 23.03 C ATOM 462 O GLY A 34 -9.748 -27.953 -6.722 1.00 73.20 O ATOM 0 H GLY A 34 -8.003 -26.909 -5.372 1.00 10.13 H new ATOM 0 HA2 GLY A 34 -6.785 -28.598 -6.898 1.00 41.13 H new ATOM 0 HA3 GLY A 34 -7.378 -29.775 -5.743 1.00 41.13 H new ATOM 466 N GLN A 35 -9.105 -29.862 -7.724 1.00 41.30 N ATOM 467 CA GLN A 35 -10.344 -30.012 -8.479 1.00 63.22 C ATOM 468 C GLN A 35 -11.554 -29.995 -7.550 1.00 3.01 C ATOM 469 O GLN A 35 -11.686 -30.847 -6.672 1.00 71.45 O ATOM 470 CB GLN A 35 -10.322 -31.313 -9.284 1.00 51.42 C ATOM 471 CG GLN A 35 -10.775 -31.145 -10.725 1.00 52.04 C ATOM 472 CD GLN A 35 -9.662 -31.404 -11.721 1.00 1.42 C ATOM 473 OE1 GLN A 35 -8.485 -30.852 -11.452 1.00 63.12 O flip ATOM 474 NE2 GLN A 35 -9.858 -32.094 -12.722 1.00 51.01 N flip ATOM 0 H GLN A 35 -8.421 -30.601 -7.884 1.00 41.30 H new ATOM 0 HA GLN A 35 -10.425 -29.170 -9.166 1.00 63.22 H new ATOM 0 HB2 GLN A 35 -9.310 -31.719 -9.275 1.00 51.42 H new ATOM 0 HB3 GLN A 35 -10.964 -32.045 -8.793 1.00 51.42 H new ATOM 0 HG2 GLN A 35 -11.601 -31.827 -10.924 1.00 52.04 H new ATOM 0 HG3 GLN A 35 -11.156 -30.134 -10.866 1.00 52.04 H new ATOM 0 HE21 GLN A 35 -10.779 -32.499 -12.890 1.00 51.01 H new ATOM 0 HE22 GLN A 35 -9.099 -32.260 -13.383 1.00 51.01 H new ATOM 483 N GLY A 36 -12.434 -29.019 -7.751 1.00 14.53 N ATOM 484 CA GLY A 36 -13.621 -28.910 -6.923 1.00 61.34 C ATOM 485 C GLY A 36 -14.855 -28.542 -7.724 1.00 62.35 C ATOM 486 O GLY A 36 -15.007 -28.964 -8.869 1.00 42.12 O ATOM 0 H GLY A 36 -12.346 -28.302 -8.472 1.00 14.53 H new ATOM 0 HA2 GLY A 36 -13.792 -29.858 -6.412 1.00 61.34 H new ATOM 0 HA3 GLY A 36 -13.455 -28.158 -6.152 1.00 61.34 H new ATOM 490 N MET A 37 -15.737 -27.753 -7.119 1.00 61.13 N ATOM 491 CA MET A 37 -16.963 -27.328 -7.784 1.00 42.40 C ATOM 492 C MET A 37 -17.389 -25.943 -7.306 1.00 23.15 C ATOM 493 O MET A 37 -16.840 -25.414 -6.339 1.00 55.00 O ATOM 494 CB MET A 37 -18.083 -28.337 -7.526 1.00 74.24 C ATOM 495 CG MET A 37 -18.490 -28.433 -6.065 1.00 12.15 C ATOM 496 SD MET A 37 -20.237 -28.827 -5.854 1.00 4.42 S ATOM 497 CE MET A 37 -21.000 -27.363 -6.549 1.00 3.33 C ATOM 0 H MET A 37 -15.626 -27.395 -6.170 1.00 61.13 H new ATOM 0 HA MET A 37 -16.768 -27.278 -8.855 1.00 42.40 H new ATOM 0 HB2 MET A 37 -18.954 -28.060 -8.120 1.00 74.24 H new ATOM 0 HB3 MET A 37 -17.762 -29.320 -7.870 1.00 74.24 H new ATOM 0 HG2 MET A 37 -17.888 -29.197 -5.574 1.00 12.15 H new ATOM 0 HG3 MET A 37 -18.272 -27.487 -5.569 1.00 12.15 H new ATOM 0 HE1 MET A 37 -22.084 -27.448 -6.475 1.00 3.33 H new ATOM 0 HE2 MET A 37 -20.666 -26.483 -5.999 1.00 3.33 H new ATOM 0 HE3 MET A 37 -20.714 -27.266 -7.596 1.00 3.33 H new ATOM 507 N ARG A 38 -18.371 -25.362 -7.989 1.00 22.15 N ATOM 508 CA ARG A 38 -18.868 -24.040 -7.634 1.00 52.25 C ATOM 509 C ARG A 38 -20.360 -23.921 -7.935 1.00 30.51 C ATOM 510 O ARG A 38 -20.803 -24.222 -9.044 1.00 11.44 O ATOM 511 CB ARG A 38 -18.096 -22.959 -8.395 1.00 34.11 C ATOM 512 CG ARG A 38 -18.751 -21.589 -8.340 1.00 12.30 C ATOM 513 CD ARG A 38 -18.161 -20.734 -7.230 1.00 50.11 C ATOM 514 NE ARG A 38 -19.197 -20.119 -6.404 1.00 70.02 N ATOM 515 CZ ARG A 38 -19.692 -20.684 -5.307 1.00 72.41 C ATOM 516 NH1 ARG A 38 -19.250 -21.868 -4.909 1.00 33.03 N ATOM 517 NH2 ARG A 38 -20.633 -20.061 -4.608 1.00 21.14 N ATOM 0 H ARG A 38 -18.837 -25.787 -8.791 1.00 22.15 H new ATOM 0 HA ARG A 38 -18.718 -23.899 -6.564 1.00 52.25 H new ATOM 0 HB2 ARG A 38 -17.089 -22.887 -7.985 1.00 34.11 H new ATOM 0 HB3 ARG A 38 -17.995 -23.262 -9.437 1.00 34.11 H new ATOM 0 HG2 ARG A 38 -18.622 -21.084 -9.297 1.00 12.30 H new ATOM 0 HG3 ARG A 38 -19.823 -21.703 -8.182 1.00 12.30 H new ATOM 0 HD2 ARG A 38 -17.515 -21.349 -6.603 1.00 50.11 H new ATOM 0 HD3 ARG A 38 -17.535 -19.955 -7.666 1.00 50.11 H new ATOM 0 HE ARG A 38 -19.560 -19.208 -6.684 1.00 70.02 H new ATOM 0 HH11 ARG A 38 -18.528 -22.349 -5.445 1.00 33.03 H new ATOM 0 HH12 ARG A 38 -19.632 -22.298 -4.067 1.00 33.03 H new ATOM 0 HH21 ARG A 38 -20.976 -19.150 -4.913 1.00 21.14 H new ATOM 0 HH22 ARG A 38 -21.014 -20.494 -3.766 1.00 21.14 H new ATOM 531 N GLU A 39 -21.127 -23.481 -6.943 1.00 4.13 N ATOM 532 CA GLU A 39 -22.567 -23.324 -7.103 1.00 31.32 C ATOM 533 C GLU A 39 -22.926 -21.872 -7.401 1.00 1.42 C ATOM 534 O GLU A 39 -22.722 -20.987 -6.570 1.00 30.11 O ATOM 535 CB GLU A 39 -23.297 -23.795 -5.842 1.00 61.22 C ATOM 536 CG GLU A 39 -23.717 -25.253 -5.890 1.00 34.14 C ATOM 537 CD GLU A 39 -23.177 -26.055 -4.723 1.00 13.14 C ATOM 538 OE1 GLU A 39 -22.050 -25.765 -4.273 1.00 73.24 O ATOM 539 OE2 GLU A 39 -23.884 -26.975 -4.260 1.00 44.24 O ATOM 0 H GLU A 39 -20.775 -23.227 -6.020 1.00 4.13 H new ATOM 0 HA GLU A 39 -22.883 -23.938 -7.947 1.00 31.32 H new ATOM 0 HB2 GLU A 39 -22.650 -23.641 -4.979 1.00 61.22 H new ATOM 0 HB3 GLU A 39 -24.181 -23.176 -5.692 1.00 61.22 H new ATOM 0 HG2 GLU A 39 -24.805 -25.314 -5.895 1.00 34.14 H new ATOM 0 HG3 GLU A 39 -23.369 -25.697 -6.823 1.00 34.14 H new ATOM 546 N GLY A 40 -23.463 -21.633 -8.594 1.00 10.53 N ATOM 547 CA GLY A 40 -23.843 -20.287 -8.981 1.00 71.01 C ATOM 548 C GLY A 40 -25.175 -19.868 -8.391 1.00 63.15 C ATOM 549 O GLY A 40 -26.192 -20.529 -8.601 1.00 75.04 O ATOM 0 H GLY A 40 -23.642 -22.348 -9.299 1.00 10.53 H new ATOM 0 HA2 GLY A 40 -23.071 -19.588 -8.659 1.00 71.01 H new ATOM 0 HA3 GLY A 40 -23.895 -20.226 -10.068 1.00 71.01 H new ATOM 553 N THR A 41 -25.170 -18.766 -7.647 1.00 5.31 N ATOM 554 CA THR A 41 -26.386 -18.259 -7.022 1.00 10.14 C ATOM 555 C THR A 41 -26.679 -16.832 -7.466 1.00 63.22 C ATOM 556 O THR A 41 -25.847 -15.938 -7.307 1.00 62.32 O ATOM 557 CB THR A 41 -26.284 -18.297 -5.485 1.00 34.44 C ATOM 558 OG1 THR A 41 -27.454 -17.712 -4.903 1.00 25.02 O ATOM 559 CG2 THR A 41 -25.046 -17.554 -5.006 1.00 43.04 C ATOM 0 H THR A 41 -24.337 -18.207 -7.462 1.00 5.31 H new ATOM 0 HA THR A 41 -27.201 -18.909 -7.341 1.00 10.14 H new ATOM 0 HB THR A 41 -26.205 -19.338 -5.173 1.00 34.44 H new ATOM 0 HG1 THR A 41 -27.383 -17.741 -3.926 1.00 25.02 H new ATOM 0 HG21 THR A 41 -24.996 -17.595 -3.918 1.00 43.04 H new ATOM 0 HG22 THR A 41 -24.156 -18.020 -5.428 1.00 43.04 H new ATOM 0 HG23 THR A 41 -25.098 -16.514 -5.328 1.00 43.04 H new ATOM 567 N CYS A 42 -27.866 -16.622 -8.022 1.00 35.23 N ATOM 568 CA CYS A 42 -28.271 -15.301 -8.490 1.00 72.41 C ATOM 569 C CYS A 42 -29.670 -14.953 -7.992 1.00 11.00 C ATOM 570 O CYS A 42 -30.657 -15.560 -8.405 1.00 30.13 O ATOM 571 CB CYS A 42 -28.233 -15.245 -10.018 1.00 60.24 C ATOM 572 SG CYS A 42 -29.052 -13.780 -10.728 1.00 22.23 S ATOM 0 H CYS A 42 -28.566 -17.350 -8.160 1.00 35.23 H new ATOM 0 HA CYS A 42 -27.569 -14.570 -8.089 1.00 72.41 H new ATOM 0 HB2 CYS A 42 -27.194 -15.262 -10.346 1.00 60.24 H new ATOM 0 HB3 CYS A 42 -28.707 -16.142 -10.416 1.00 60.24 H new ATOM 0 HG CYS A 42 -28.966 -13.821 -12.025 1.00 22.23 H new ATOM 578 N ASN A 43 -29.747 -13.969 -7.100 1.00 31.04 N ATOM 579 CA ASN A 43 -31.026 -13.539 -6.545 1.00 12.13 C ATOM 580 C ASN A 43 -31.678 -14.665 -5.747 1.00 4.21 C ATOM 581 O ASN A 43 -31.568 -14.714 -4.522 1.00 51.11 O ATOM 582 CB ASN A 43 -31.964 -13.083 -7.664 1.00 51.00 C ATOM 583 CG ASN A 43 -31.476 -11.820 -8.348 1.00 64.32 C ATOM 584 OD1 ASN A 43 -30.476 -11.228 -7.942 1.00 12.10 O ATOM 585 ND2 ASN A 43 -32.183 -11.401 -9.392 1.00 1.11 N ATOM 0 H ASN A 43 -28.940 -13.455 -6.747 1.00 31.04 H new ATOM 0 HA ASN A 43 -30.839 -12.701 -5.873 1.00 12.13 H new ATOM 0 HB2 ASN A 43 -32.059 -13.879 -8.402 1.00 51.00 H new ATOM 0 HB3 ASN A 43 -32.958 -12.909 -7.253 1.00 51.00 H new ATOM 0 HD21 ASN A 43 -31.903 -10.557 -9.892 1.00 1.11 H new ATOM 0 HD22 ASN A 43 -33.005 -11.923 -9.694 1.00 1.11 H new ATOM 592 N GLU A 44 -32.356 -15.566 -6.451 1.00 55.22 N ATOM 593 CA GLU A 44 -33.025 -16.690 -5.807 1.00 54.51 C ATOM 594 C GLU A 44 -32.954 -17.939 -6.681 1.00 73.32 C ATOM 595 O GLU A 44 -33.927 -18.683 -6.799 1.00 73.01 O ATOM 596 CB GLU A 44 -34.486 -16.342 -5.514 1.00 34.13 C ATOM 597 CG GLU A 44 -35.206 -15.699 -6.688 1.00 73.40 C ATOM 598 CD GLU A 44 -35.014 -14.195 -6.737 1.00 2.20 C ATOM 599 OE1 GLU A 44 -34.823 -13.586 -5.664 1.00 21.24 O ATOM 600 OE2 GLU A 44 -35.055 -13.629 -7.849 1.00 65.14 O ATOM 0 H GLU A 44 -32.456 -15.540 -7.466 1.00 55.22 H new ATOM 0 HA GLU A 44 -32.512 -16.895 -4.867 1.00 54.51 H new ATOM 0 HB2 GLU A 44 -35.016 -17.250 -5.227 1.00 34.13 H new ATOM 0 HB3 GLU A 44 -34.525 -15.666 -4.660 1.00 34.13 H new ATOM 0 HG2 GLU A 44 -34.843 -16.138 -7.617 1.00 73.40 H new ATOM 0 HG3 GLU A 44 -36.271 -15.924 -6.624 1.00 73.40 H new ATOM 607 N GLN A 45 -31.794 -18.162 -7.291 1.00 71.02 N ATOM 608 CA GLN A 45 -31.595 -19.318 -8.156 1.00 42.50 C ATOM 609 C GLN A 45 -30.268 -20.006 -7.848 1.00 15.23 C ATOM 610 O GLN A 45 -29.411 -19.447 -7.165 1.00 65.41 O ATOM 611 CB GLN A 45 -31.635 -18.898 -9.626 1.00 51.33 C ATOM 612 CG GLN A 45 -32.774 -17.946 -9.954 1.00 64.25 C ATOM 613 CD GLN A 45 -32.878 -17.650 -11.437 1.00 4.14 C ATOM 614 OE1 GLN A 45 -32.184 -18.259 -12.253 1.00 55.43 O ATOM 615 NE2 GLN A 45 -33.748 -16.712 -11.794 1.00 61.51 N ATOM 0 H GLN A 45 -30.978 -17.557 -7.202 1.00 71.02 H new ATOM 0 HA GLN A 45 -32.404 -20.024 -7.966 1.00 42.50 H new ATOM 0 HB2 GLN A 45 -30.689 -18.423 -9.886 1.00 51.33 H new ATOM 0 HB3 GLN A 45 -31.726 -19.789 -10.248 1.00 51.33 H new ATOM 0 HG2 GLN A 45 -33.713 -18.376 -9.606 1.00 64.25 H new ATOM 0 HG3 GLN A 45 -32.630 -17.012 -9.410 1.00 64.25 H new ATOM 0 HE21 GLN A 45 -34.302 -16.233 -11.084 1.00 61.51 H new ATOM 0 HE22 GLN A 45 -33.862 -16.470 -12.778 1.00 61.51 H new ATOM 624 N THR A 46 -30.108 -21.225 -8.355 1.00 51.12 N ATOM 625 CA THR A 46 -28.887 -21.991 -8.134 1.00 72.13 C ATOM 626 C THR A 46 -28.348 -22.555 -9.441 1.00 32.04 C ATOM 627 O THR A 46 -29.091 -22.726 -10.408 1.00 32.40 O ATOM 628 CB THR A 46 -29.122 -23.147 -7.145 1.00 3.42 C ATOM 629 OG1 THR A 46 -30.467 -23.624 -7.259 1.00 1.40 O ATOM 630 CG2 THR A 46 -28.856 -22.701 -5.715 1.00 24.20 C ATOM 0 H THR A 46 -30.809 -21.703 -8.921 1.00 51.12 H new ATOM 0 HA THR A 46 -28.154 -21.304 -7.710 1.00 72.13 H new ATOM 0 HB THR A 46 -28.429 -23.952 -7.392 1.00 3.42 H new ATOM 0 HG1 THR A 46 -30.608 -24.360 -6.628 1.00 1.40 H new ATOM 0 HG21 THR A 46 -29.029 -23.536 -5.035 1.00 24.20 H new ATOM 0 HG22 THR A 46 -27.822 -22.367 -5.624 1.00 24.20 H new ATOM 0 HG23 THR A 46 -29.526 -21.880 -5.459 1.00 24.20 H new ATOM 638 N ARG A 47 -27.052 -22.846 -9.465 1.00 3.33 N ATOM 639 CA ARG A 47 -26.412 -23.393 -10.656 1.00 24.22 C ATOM 640 C ARG A 47 -25.284 -24.347 -10.278 1.00 24.40 C ATOM 641 O ARG A 47 -24.771 -24.308 -9.160 1.00 64.11 O ATOM 642 CB ARG A 47 -25.868 -22.265 -11.533 1.00 73.43 C ATOM 643 CG ARG A 47 -25.382 -22.731 -12.896 1.00 42.40 C ATOM 644 CD ARG A 47 -26.469 -23.484 -13.646 1.00 73.24 C ATOM 645 NE ARG A 47 -26.643 -22.983 -15.007 1.00 2.33 N ATOM 646 CZ ARG A 47 -27.667 -23.312 -15.786 1.00 72.24 C ATOM 647 NH1 ARG A 47 -28.604 -24.137 -15.341 1.00 35.32 N ATOM 648 NH2 ARG A 47 -27.755 -22.815 -17.014 1.00 41.21 N ATOM 0 H ARG A 47 -26.424 -22.712 -8.673 1.00 3.33 H new ATOM 0 HA ARG A 47 -27.163 -23.950 -11.217 1.00 24.22 H new ATOM 0 HB2 ARG A 47 -26.648 -21.516 -11.672 1.00 73.43 H new ATOM 0 HB3 ARG A 47 -25.045 -21.776 -11.011 1.00 73.43 H new ATOM 0 HG2 ARG A 47 -25.062 -21.870 -13.483 1.00 42.40 H new ATOM 0 HG3 ARG A 47 -24.511 -23.374 -12.773 1.00 42.40 H new ATOM 0 HD2 ARG A 47 -26.218 -24.544 -13.679 1.00 73.24 H new ATOM 0 HD3 ARG A 47 -27.411 -23.396 -13.104 1.00 73.24 H new ATOM 0 HE ARG A 47 -25.939 -22.345 -15.380 1.00 2.33 H new ATOM 0 HH11 ARG A 47 -28.540 -24.521 -14.398 1.00 35.32 H new ATOM 0 HH12 ARG A 47 -29.389 -24.388 -15.941 1.00 35.32 H new ATOM 0 HH21 ARG A 47 -27.036 -22.180 -17.360 1.00 41.21 H new ATOM 0 HH22 ARG A 47 -28.542 -23.068 -17.612 1.00 41.21 H new ATOM 662 N LYS A 48 -24.900 -25.205 -11.218 1.00 13.51 N ATOM 663 CA LYS A 48 -23.833 -26.170 -10.986 1.00 22.20 C ATOM 664 C LYS A 48 -22.731 -26.025 -12.032 1.00 54.03 C ATOM 665 O LYS A 48 -22.997 -26.045 -13.233 1.00 71.44 O ATOM 666 CB LYS A 48 -24.390 -27.595 -11.010 1.00 24.33 C ATOM 667 CG LYS A 48 -25.346 -27.894 -9.870 1.00 53.24 C ATOM 668 CD LYS A 48 -25.953 -29.280 -9.999 1.00 4.33 C ATOM 669 CE LYS A 48 -26.916 -29.576 -8.858 1.00 71.35 C ATOM 670 NZ LYS A 48 -26.420 -30.673 -7.983 1.00 71.12 N ATOM 0 H LYS A 48 -25.313 -25.251 -12.149 1.00 13.51 H new ATOM 0 HA LYS A 48 -23.405 -25.971 -10.003 1.00 22.20 H new ATOM 0 HB2 LYS A 48 -24.905 -27.759 -11.957 1.00 24.33 H new ATOM 0 HB3 LYS A 48 -23.560 -28.301 -10.972 1.00 24.33 H new ATOM 0 HG2 LYS A 48 -24.817 -27.815 -8.920 1.00 53.24 H new ATOM 0 HG3 LYS A 48 -26.141 -27.148 -9.855 1.00 53.24 H new ATOM 0 HD2 LYS A 48 -26.479 -29.361 -10.950 1.00 4.33 H new ATOM 0 HD3 LYS A 48 -25.159 -30.027 -10.009 1.00 4.33 H new ATOM 0 HE2 LYS A 48 -27.061 -28.675 -8.263 1.00 71.35 H new ATOM 0 HE3 LYS A 48 -27.889 -29.849 -9.266 1.00 71.35 H new ATOM 0 HZ1 LYS A 48 -27.104 -30.844 -7.219 1.00 71.12 H new ATOM 0 HZ2 LYS A 48 -26.305 -31.540 -8.545 1.00 71.12 H new ATOM 0 HZ3 LYS A 48 -25.503 -30.402 -7.573 1.00 71.12 H new ATOM 684 N VAL A 49 -21.495 -25.881 -11.567 1.00 64.32 N ATOM 685 CA VAL A 49 -20.353 -25.736 -12.463 1.00 61.24 C ATOM 686 C VAL A 49 -19.075 -26.250 -11.811 1.00 51.30 C ATOM 687 O VAL A 49 -18.870 -26.094 -10.607 1.00 73.33 O ATOM 688 CB VAL A 49 -20.149 -24.266 -12.878 1.00 0.24 C ATOM 689 CG1 VAL A 49 -21.330 -23.776 -13.703 1.00 65.35 C ATOM 690 CG2 VAL A 49 -19.943 -23.391 -11.653 1.00 52.25 C ATOM 0 H VAL A 49 -21.258 -25.862 -10.575 1.00 64.32 H new ATOM 0 HA VAL A 49 -20.569 -26.330 -13.351 1.00 61.24 H new ATOM 0 HB VAL A 49 -19.253 -24.201 -13.496 1.00 0.24 H new ATOM 0 HG11 VAL A 49 -21.169 -22.736 -13.987 1.00 65.35 H new ATOM 0 HG12 VAL A 49 -21.425 -24.387 -14.601 1.00 65.35 H new ATOM 0 HG13 VAL A 49 -22.243 -23.853 -13.113 1.00 65.35 H new ATOM 0 HG21 VAL A 49 -19.801 -22.356 -11.965 1.00 52.25 H new ATOM 0 HG22 VAL A 49 -20.818 -23.458 -11.007 1.00 52.25 H new ATOM 0 HG23 VAL A 49 -19.062 -23.730 -11.108 1.00 52.25 H new ATOM 700 N LYS A 50 -18.215 -26.866 -12.615 1.00 21.01 N ATOM 701 CA LYS A 50 -16.953 -27.404 -12.119 1.00 50.11 C ATOM 702 C LYS A 50 -15.830 -26.385 -12.274 1.00 64.14 C ATOM 703 O LYS A 50 -15.544 -25.920 -13.378 1.00 13.22 O ATOM 704 CB LYS A 50 -16.594 -28.691 -12.865 1.00 54.43 C ATOM 705 CG LYS A 50 -17.496 -29.864 -12.522 1.00 51.31 C ATOM 706 CD LYS A 50 -16.839 -30.797 -11.518 1.00 3.10 C ATOM 707 CE LYS A 50 -17.864 -31.676 -10.818 1.00 71.51 C ATOM 708 NZ LYS A 50 -18.751 -32.373 -11.791 1.00 52.02 N ATOM 0 H LYS A 50 -18.369 -27.005 -13.614 1.00 21.01 H new ATOM 0 HA LYS A 50 -17.074 -27.628 -11.059 1.00 50.11 H new ATOM 0 HB2 LYS A 50 -16.645 -28.506 -13.938 1.00 54.43 H new ATOM 0 HB3 LYS A 50 -15.562 -28.958 -12.637 1.00 54.43 H new ATOM 0 HG2 LYS A 50 -18.437 -29.494 -12.115 1.00 51.31 H new ATOM 0 HG3 LYS A 50 -17.737 -30.417 -13.430 1.00 51.31 H new ATOM 0 HD2 LYS A 50 -16.108 -31.425 -12.028 1.00 3.10 H new ATOM 0 HD3 LYS A 50 -16.295 -30.211 -10.777 1.00 3.10 H new ATOM 0 HE2 LYS A 50 -17.350 -32.414 -10.202 1.00 71.51 H new ATOM 0 HE3 LYS A 50 -18.469 -31.066 -10.147 1.00 71.51 H new ATOM 0 HZ1 LYS A 50 -19.308 -33.098 -11.295 1.00 52.02 H new ATOM 0 HZ2 LYS A 50 -19.394 -31.684 -12.231 1.00 52.02 H new ATOM 0 HZ3 LYS A 50 -18.172 -32.824 -12.527 1.00 52.02 H new ATOM 722 N CYS A 51 -15.191 -26.041 -11.160 1.00 54.14 N ATOM 723 CA CYS A 51 -14.097 -25.076 -11.170 1.00 73.20 C ATOM 724 C CYS A 51 -12.854 -25.656 -10.502 1.00 30.03 C ATOM 725 O CYS A 51 -12.904 -26.731 -9.902 1.00 70.43 O ATOM 726 CB CYS A 51 -14.518 -23.788 -10.460 1.00 73.42 C ATOM 727 SG CYS A 51 -14.608 -23.934 -8.647 1.00 22.03 S ATOM 0 H CYS A 51 -15.412 -26.417 -10.238 1.00 54.14 H new ATOM 0 HA CYS A 51 -13.857 -24.848 -12.208 1.00 73.20 H new ATOM 0 HB2 CYS A 51 -13.812 -22.998 -10.716 1.00 73.42 H new ATOM 0 HB3 CYS A 51 -15.493 -23.479 -10.838 1.00 73.42 H new ATOM 733 N ARG A 52 -11.741 -24.939 -10.609 1.00 31.32 N ATOM 734 CA ARG A 52 -10.485 -25.382 -10.017 1.00 32.15 C ATOM 735 C ARG A 52 -10.039 -24.427 -8.914 1.00 24.45 C ATOM 736 O ARG A 52 -10.052 -23.209 -9.090 1.00 3.04 O ATOM 737 CB ARG A 52 -9.400 -25.485 -11.089 1.00 60.31 C ATOM 738 CG ARG A 52 -8.752 -26.859 -11.170 1.00 60.21 C ATOM 739 CD ARG A 52 -9.743 -27.915 -11.633 1.00 22.11 C ATOM 740 NE ARG A 52 -9.471 -28.360 -12.999 1.00 65.14 N ATOM 741 CZ ARG A 52 -10.364 -28.979 -13.761 1.00 74.31 C ATOM 742 NH1 ARG A 52 -11.581 -29.224 -13.296 1.00 12.52 N ATOM 743 NH2 ARG A 52 -10.042 -29.351 -14.992 1.00 11.24 N ATOM 0 H ARG A 52 -11.683 -24.047 -11.101 1.00 31.32 H new ATOM 0 HA ARG A 52 -10.645 -26.367 -9.578 1.00 32.15 H new ATOM 0 HB2 ARG A 52 -9.834 -25.240 -12.058 1.00 60.31 H new ATOM 0 HB3 ARG A 52 -8.630 -24.741 -10.887 1.00 60.31 H new ATOM 0 HG2 ARG A 52 -7.907 -26.824 -11.858 1.00 60.21 H new ATOM 0 HG3 ARG A 52 -8.356 -27.134 -10.193 1.00 60.21 H new ATOM 0 HD2 ARG A 52 -9.703 -28.770 -10.958 1.00 22.11 H new ATOM 0 HD3 ARG A 52 -10.754 -27.512 -11.578 1.00 22.11 H new ATOM 0 HE ARG A 52 -8.544 -28.185 -13.387 1.00 65.14 H new ATOM 0 HH11 ARG A 52 -11.833 -28.937 -12.350 1.00 12.52 H new ATOM 0 HH12 ARG A 52 -12.265 -29.700 -13.884 1.00 12.52 H new ATOM 0 HH21 ARG A 52 -9.107 -29.162 -15.354 1.00 11.24 H new ATOM 0 HH22 ARG A 52 -10.729 -29.827 -15.577 1.00 11.24 H new ATOM 757 N VAL A 53 -9.641 -24.990 -7.778 1.00 42.25 N ATOM 758 CA VAL A 53 -9.188 -24.189 -6.646 1.00 50.42 C ATOM 759 C VAL A 53 -7.703 -24.405 -6.379 1.00 64.31 C ATOM 760 O VAL A 53 -7.310 -25.096 -5.438 1.00 41.02 O ATOM 761 CB VAL A 53 -9.982 -24.522 -5.368 1.00 31.35 C ATOM 762 CG1 VAL A 53 -9.701 -23.496 -4.282 1.00 45.21 C ATOM 763 CG2 VAL A 53 -11.471 -24.594 -5.672 1.00 3.33 C ATOM 0 H VAL A 53 -9.623 -25.997 -7.617 1.00 42.25 H new ATOM 0 HA VAL A 53 -9.359 -23.145 -6.909 1.00 50.42 H new ATOM 0 HB VAL A 53 -9.660 -25.498 -5.004 1.00 31.35 H new ATOM 0 HG11 VAL A 53 -10.271 -23.748 -3.387 1.00 45.21 H new ATOM 0 HG12 VAL A 53 -8.637 -23.497 -4.047 1.00 45.21 H new ATOM 0 HG13 VAL A 53 -9.994 -22.506 -4.632 1.00 45.21 H new ATOM 0 HG21 VAL A 53 -12.018 -24.830 -4.759 1.00 3.33 H new ATOM 0 HG22 VAL A 53 -11.810 -23.633 -6.060 1.00 3.33 H new ATOM 0 HG23 VAL A 53 -11.654 -25.370 -6.415 1.00 3.33 H new ATOM 773 N PRO A 54 -6.855 -23.800 -7.224 1.00 34.44 N ATOM 774 CA PRO A 54 -5.399 -23.911 -7.100 1.00 2.20 C ATOM 775 C PRO A 54 -4.863 -23.171 -5.879 1.00 15.32 C ATOM 776 O PRO A 54 -5.400 -22.134 -5.485 1.00 31.31 O ATOM 777 CB PRO A 54 -4.881 -23.264 -8.387 1.00 13.24 C ATOM 778 CG PRO A 54 -5.962 -22.324 -8.798 1.00 44.22 C ATOM 779 CD PRO A 54 -7.254 -22.962 -8.367 1.00 42.10 C ATOM 0 HA PRO A 54 -5.080 -24.945 -6.969 1.00 2.20 H new ATOM 0 HB2 PRO A 54 -3.942 -22.738 -8.216 1.00 13.24 H new ATOM 0 HB3 PRO A 54 -4.691 -24.011 -9.158 1.00 13.24 H new ATOM 0 HG2 PRO A 54 -5.832 -21.350 -8.326 1.00 44.22 H new ATOM 0 HG3 PRO A 54 -5.948 -22.161 -9.876 1.00 44.22 H new ATOM 0 HD2 PRO A 54 -7.994 -22.216 -8.079 1.00 42.10 H new ATOM 0 HD3 PRO A 54 -7.695 -23.557 -9.167 1.00 42.10 H new ATOM 787 N CYS A 55 -3.804 -23.707 -5.285 1.00 5.52 N ATOM 788 CA CYS A 55 -3.195 -23.097 -4.108 1.00 42.11 C ATOM 789 C CYS A 55 -2.212 -22.002 -4.510 1.00 10.21 C ATOM 790 O CYS A 55 -1.657 -22.025 -5.608 1.00 23.01 O ATOM 791 CB CYS A 55 -2.479 -24.159 -3.270 1.00 30.44 C ATOM 792 SG CYS A 55 -3.409 -24.697 -1.799 1.00 52.01 S ATOM 0 H CYS A 55 -3.348 -24.564 -5.599 1.00 5.52 H new ATOM 0 HA CYS A 55 -3.988 -22.647 -3.511 1.00 42.11 H new ATOM 0 HB2 CYS A 55 -2.279 -25.027 -3.898 1.00 30.44 H new ATOM 0 HB3 CYS A 55 -1.513 -23.766 -2.952 1.00 30.44 H new ATOM 798 N ASN A 56 -2.003 -21.044 -3.614 1.00 53.00 N ATOM 799 CA ASN A 56 -1.087 -19.940 -3.875 1.00 51.14 C ATOM 800 C ASN A 56 -1.535 -19.137 -5.091 1.00 34.43 C ATOM 801 O ASN A 56 -1.014 -19.317 -6.193 1.00 14.11 O ATOM 802 CB ASN A 56 0.333 -20.467 -4.094 1.00 14.54 C ATOM 803 CG ASN A 56 0.749 -21.464 -3.028 1.00 21.14 C ATOM 804 OD1 ASN A 56 1.266 -22.539 -3.335 1.00 64.52 O ATOM 805 ND2 ASN A 56 0.525 -21.111 -1.768 1.00 72.42 N ATOM 0 H ASN A 56 -2.455 -21.010 -2.701 1.00 53.00 H new ATOM 0 HA ASN A 56 -1.094 -19.283 -3.005 1.00 51.14 H new ATOM 0 HB2 ASN A 56 0.395 -20.940 -5.074 1.00 14.54 H new ATOM 0 HB3 ASN A 56 1.032 -19.631 -4.098 1.00 14.54 H new ATOM 0 HD21 ASN A 56 0.784 -21.740 -1.008 1.00 72.42 H new ATOM 0 HD22 ASN A 56 0.094 -20.210 -1.560 1.00 72.42 H new ATOM 944 N CYS A 65 13.943 -3.941 -8.942 1.00 12.03 N ATOM 945 CA CYS A 65 14.583 -2.808 -9.598 1.00 45.44 C ATOM 946 C CYS A 65 15.674 -3.279 -10.556 1.00 50.10 C ATOM 947 O CYS A 65 16.486 -4.139 -10.216 1.00 44.31 O ATOM 948 CB CYS A 65 15.178 -1.859 -8.557 1.00 24.11 C ATOM 949 SG CYS A 65 14.648 -0.126 -8.741 1.00 62.02 S ATOM 0 HA CYS A 65 13.824 -2.277 -10.173 1.00 45.44 H new ATOM 0 HB2 CYS A 65 14.901 -2.209 -7.562 1.00 24.11 H new ATOM 0 HB3 CYS A 65 16.265 -1.904 -8.620 1.00 24.11 H new ATOM 955 N LYS A 66 15.687 -2.708 -11.756 1.00 12.14 N ATOM 956 CA LYS A 66 16.677 -3.067 -12.764 1.00 43.44 C ATOM 957 C LYS A 66 17.906 -2.169 -12.662 1.00 63.22 C ATOM 958 O LYS A 66 17.793 -0.974 -12.387 1.00 32.55 O ATOM 959 CB LYS A 66 16.071 -2.962 -14.165 1.00 12.43 C ATOM 960 CG LYS A 66 16.501 -4.080 -15.098 1.00 62.41 C ATOM 961 CD LYS A 66 15.770 -5.376 -14.792 1.00 4.21 C ATOM 962 CE LYS A 66 15.054 -5.917 -16.019 1.00 11.21 C ATOM 963 NZ LYS A 66 14.218 -7.106 -15.696 1.00 60.04 N ATOM 0 H LYS A 66 15.022 -1.994 -12.054 1.00 12.14 H new ATOM 0 HA LYS A 66 16.984 -4.097 -12.585 1.00 43.44 H new ATOM 0 HB2 LYS A 66 14.984 -2.966 -14.083 1.00 12.43 H new ATOM 0 HB3 LYS A 66 16.354 -2.005 -14.603 1.00 12.43 H new ATOM 0 HG2 LYS A 66 16.308 -3.788 -16.130 1.00 62.41 H new ATOM 0 HG3 LYS A 66 17.576 -4.238 -15.007 1.00 62.41 H new ATOM 0 HD2 LYS A 66 16.481 -6.118 -14.428 1.00 4.21 H new ATOM 0 HD3 LYS A 66 15.048 -5.207 -13.993 1.00 4.21 H new ATOM 0 HE2 LYS A 66 14.425 -5.136 -16.446 1.00 11.21 H new ATOM 0 HE3 LYS A 66 15.788 -6.185 -16.779 1.00 11.21 H new ATOM 0 HZ1 LYS A 66 13.747 -7.444 -16.559 1.00 60.04 H new ATOM 0 HZ2 LYS A 66 14.822 -7.861 -15.313 1.00 60.04 H new ATOM 0 HZ3 LYS A 66 13.501 -6.844 -14.990 1.00 60.04 H new ATOM 977 N TYR A 67 19.078 -2.750 -12.886 1.00 30.34 N ATOM 978 CA TYR A 67 20.328 -2.003 -12.819 1.00 11.03 C ATOM 979 C TYR A 67 21.138 -2.177 -14.102 1.00 54.31 C ATOM 980 O TYR A 67 20.814 -3.014 -14.945 1.00 62.22 O ATOM 981 CB TYR A 67 21.156 -2.459 -11.615 1.00 74.44 C ATOM 982 CG TYR A 67 20.848 -1.697 -10.347 1.00 11.42 C ATOM 983 CD1 TYR A 67 19.774 -2.056 -9.540 1.00 71.24 C ATOM 984 CD2 TYR A 67 21.631 -0.618 -9.952 1.00 31.42 C ATOM 985 CE1 TYR A 67 19.489 -1.361 -8.381 1.00 3.51 C ATOM 986 CE2 TYR A 67 21.355 0.080 -8.793 1.00 14.35 C ATOM 987 CZ TYR A 67 20.281 -0.295 -8.012 1.00 2.41 C ATOM 988 OH TYR A 67 20.001 0.397 -6.855 1.00 34.11 O ATOM 0 H TYR A 67 19.189 -3.737 -13.116 1.00 30.34 H new ATOM 0 HA TYR A 67 20.084 -0.947 -12.705 1.00 11.03 H new ATOM 0 HB2 TYR A 67 20.979 -3.521 -11.443 1.00 74.44 H new ATOM 0 HB3 TYR A 67 22.215 -2.347 -11.849 1.00 74.44 H new ATOM 0 HD1 TYR A 67 19.152 -2.892 -9.824 1.00 71.24 H new ATOM 0 HD2 TYR A 67 22.470 -0.320 -10.563 1.00 31.42 H new ATOM 0 HE1 TYR A 67 18.650 -1.651 -7.767 1.00 3.51 H new ATOM 0 HE2 TYR A 67 21.976 0.914 -8.500 1.00 14.35 H new ATOM 0 HH TYR A 67 20.256 1.337 -6.966 1.00 34.11 H new ATOM 998 N LYS A 68 22.191 -1.379 -14.241 1.00 10.34 N ATOM 999 CA LYS A 68 23.048 -1.444 -15.418 1.00 21.13 C ATOM 1000 C LYS A 68 24.377 -2.116 -15.087 1.00 63.23 C ATOM 1001 O LYS A 68 25.295 -1.478 -14.571 1.00 62.24 O ATOM 1002 CB LYS A 68 23.300 -0.039 -15.970 1.00 52.42 C ATOM 1003 CG LYS A 68 23.934 -0.031 -17.350 1.00 41.24 C ATOM 1004 CD LYS A 68 25.349 0.520 -17.311 1.00 50.11 C ATOM 1005 CE LYS A 68 26.179 0.009 -18.478 1.00 1.31 C ATOM 1006 NZ LYS A 68 25.943 0.801 -19.716 1.00 3.34 N ATOM 0 H LYS A 68 22.471 -0.680 -13.553 1.00 10.34 H new ATOM 0 HA LYS A 68 22.537 -2.039 -16.175 1.00 21.13 H new ATOM 0 HB2 LYS A 68 22.354 0.501 -16.011 1.00 52.42 H new ATOM 0 HB3 LYS A 68 23.946 0.503 -15.280 1.00 52.42 H new ATOM 0 HG2 LYS A 68 23.948 -1.045 -17.751 1.00 41.24 H new ATOM 0 HG3 LYS A 68 23.327 0.571 -18.027 1.00 41.24 H new ATOM 0 HD2 LYS A 68 25.317 1.609 -17.335 1.00 50.11 H new ATOM 0 HD3 LYS A 68 25.825 0.236 -16.373 1.00 50.11 H new ATOM 0 HE2 LYS A 68 27.236 0.050 -18.217 1.00 1.31 H new ATOM 0 HE3 LYS A 68 25.937 -1.037 -18.665 1.00 1.31 H new ATOM 0 HZ1 LYS A 68 26.527 0.421 -20.488 1.00 3.34 H new ATOM 0 HZ2 LYS A 68 24.939 0.741 -19.980 1.00 3.34 H new ATOM 0 HZ3 LYS A 68 26.198 1.795 -19.546 1.00 3.34 H new ATOM 1020 N PHE A 69 24.474 -3.407 -15.387 1.00 34.43 N ATOM 1021 CA PHE A 69 25.691 -4.165 -15.122 1.00 53.44 C ATOM 1022 C PHE A 69 26.650 -4.087 -16.306 1.00 70.45 C ATOM 1023 O PHE A 69 26.227 -3.949 -17.453 1.00 43.12 O ATOM 1024 CB PHE A 69 25.351 -5.627 -14.821 1.00 20.42 C ATOM 1025 CG PHE A 69 24.610 -5.816 -13.529 1.00 22.33 C ATOM 1026 CD1 PHE A 69 25.009 -5.149 -12.382 1.00 34.23 C ATOM 1027 CD2 PHE A 69 23.517 -6.663 -13.460 1.00 32.15 C ATOM 1028 CE1 PHE A 69 24.329 -5.321 -11.191 1.00 61.42 C ATOM 1029 CE2 PHE A 69 22.833 -6.840 -12.272 1.00 11.25 C ATOM 1030 CZ PHE A 69 23.240 -6.168 -11.135 1.00 31.54 C ATOM 0 H PHE A 69 23.724 -3.950 -15.814 1.00 34.43 H new ATOM 0 HA PHE A 69 26.180 -3.726 -14.252 1.00 53.44 H new ATOM 0 HB2 PHE A 69 24.750 -6.027 -15.637 1.00 20.42 H new ATOM 0 HB3 PHE A 69 26.273 -6.207 -14.790 1.00 20.42 H new ATOM 0 HD1 PHE A 69 25.861 -4.487 -12.419 1.00 34.23 H new ATOM 0 HD2 PHE A 69 23.195 -7.192 -14.345 1.00 32.15 H new ATOM 0 HE1 PHE A 69 24.649 -4.793 -10.305 1.00 61.42 H new ATOM 0 HE2 PHE A 69 21.981 -7.503 -12.232 1.00 11.25 H new ATOM 0 HZ PHE A 69 22.708 -6.305 -10.205 1.00 31.54 H new ATOM 1040 N GLY A 70 27.945 -4.176 -16.017 1.00 61.05 N ATOM 1041 CA GLY A 70 28.945 -4.113 -17.068 1.00 52.52 C ATOM 1042 C GLY A 70 29.950 -5.242 -16.981 1.00 5.45 C ATOM 1043 O GLY A 70 31.126 -5.016 -16.698 1.00 62.23 O ATOM 0 H GLY A 70 28.319 -4.290 -15.075 1.00 61.05 H new ATOM 0 HA2 GLY A 70 28.450 -4.146 -18.038 1.00 52.52 H new ATOM 0 HA3 GLY A 70 29.469 -3.159 -17.010 1.00 52.52 H new ATOM 1047 N ASN A 71 29.487 -6.464 -17.220 1.00 23.55 N ATOM 1048 CA ASN A 71 30.354 -7.635 -17.165 1.00 20.22 C ATOM 1049 C ASN A 71 30.849 -7.880 -15.744 1.00 51.54 C ATOM 1050 O ASN A 71 31.050 -6.939 -14.976 1.00 52.11 O ATOM 1051 CB ASN A 71 31.547 -7.458 -18.109 1.00 2.40 C ATOM 1052 CG ASN A 71 32.036 -8.777 -18.675 1.00 30.42 C ATOM 1053 OD1 ASN A 71 32.586 -9.609 -17.953 1.00 2.34 O ATOM 1054 ND2 ASN A 71 31.840 -8.973 -19.973 1.00 13.11 N ATOM 0 H ASN A 71 28.516 -6.669 -17.454 1.00 23.55 H new ATOM 0 HA ASN A 71 29.773 -8.501 -17.482 1.00 20.22 H new ATOM 0 HB2 ASN A 71 31.264 -6.797 -18.928 1.00 2.40 H new ATOM 0 HB3 ASN A 71 32.362 -6.971 -17.573 1.00 2.40 H new ATOM 0 HD21 ASN A 71 32.150 -9.841 -20.410 1.00 13.11 H new ATOM 0 HD22 ASN A 71 31.380 -8.256 -20.533 1.00 13.11 H new ATOM 1061 N TRP A 72 31.043 -9.148 -15.399 1.00 15.11 N ATOM 1062 CA TRP A 72 31.514 -9.516 -14.069 1.00 54.02 C ATOM 1063 C TRP A 72 33.010 -9.253 -13.930 1.00 42.01 C ATOM 1064 O TRP A 72 33.754 -9.321 -14.907 1.00 23.22 O ATOM 1065 CB TRP A 72 31.213 -10.988 -13.788 1.00 45.10 C ATOM 1066 CG TRP A 72 29.824 -11.396 -14.178 1.00 23.04 C ATOM 1067 CD1 TRP A 72 29.412 -11.830 -15.406 1.00 24.14 C ATOM 1068 CD2 TRP A 72 28.667 -11.405 -13.337 1.00 50.14 C ATOM 1069 NE1 TRP A 72 28.067 -12.109 -15.378 1.00 14.02 N ATOM 1070 CE2 TRP A 72 27.586 -11.857 -14.120 1.00 63.20 C ATOM 1071 CE3 TRP A 72 28.436 -11.076 -11.999 1.00 5.11 C ATOM 1072 CZ2 TRP A 72 26.298 -11.987 -13.607 1.00 72.33 C ATOM 1073 CZ3 TRP A 72 27.157 -11.206 -11.492 1.00 14.13 C ATOM 1074 CH2 TRP A 72 26.101 -11.658 -12.294 1.00 73.13 C ATOM 0 H TRP A 72 30.881 -9.939 -16.022 1.00 15.11 H new ATOM 0 HA TRP A 72 30.987 -8.900 -13.340 1.00 54.02 H new ATOM 0 HB2 TRP A 72 31.930 -11.607 -14.326 1.00 45.10 H new ATOM 0 HB3 TRP A 72 31.357 -11.184 -12.726 1.00 45.10 H new ATOM 0 HD1 TRP A 72 30.049 -11.938 -16.271 1.00 24.14 H new ATOM 0 HE1 TRP A 72 27.516 -12.449 -16.166 1.00 14.02 H new ATOM 0 HE3 TRP A 72 29.243 -10.726 -11.372 1.00 5.11 H new ATOM 0 HZ2 TRP A 72 25.483 -12.335 -14.224 1.00 72.33 H new ATOM 0 HZ3 TRP A 72 26.968 -10.955 -10.459 1.00 14.13 H new ATOM 0 HH2 TRP A 72 25.113 -11.748 -11.868 1.00 73.13 H new ATOM 1085 N GLY A 73 33.444 -8.954 -12.709 1.00 14.03 N ATOM 1086 CA GLY A 73 34.848 -8.688 -12.466 1.00 25.32 C ATOM 1087 C GLY A 73 35.696 -9.943 -12.523 1.00 1.14 C ATOM 1088 O GLY A 73 35.298 -10.941 -13.123 1.00 51.51 O ATOM 0 H GLY A 73 32.847 -8.892 -11.884 1.00 14.03 H new ATOM 0 HA2 GLY A 73 35.212 -7.974 -13.205 1.00 25.32 H new ATOM 0 HA3 GLY A 73 34.962 -8.221 -11.488 1.00 25.32 H new ATOM 1092 N GLU A 74 36.869 -9.894 -11.898 1.00 52.35 N ATOM 1093 CA GLU A 74 37.775 -11.035 -11.883 1.00 33.25 C ATOM 1094 C GLU A 74 37.444 -11.977 -10.728 1.00 21.34 C ATOM 1095 O GLU A 74 37.079 -11.536 -9.639 1.00 11.51 O ATOM 1096 CB GLU A 74 39.225 -10.562 -11.771 1.00 20.03 C ATOM 1097 CG GLU A 74 39.566 -9.959 -10.418 1.00 21.34 C ATOM 1098 CD GLU A 74 40.480 -10.848 -9.597 1.00 50.44 C ATOM 1099 OE1 GLU A 74 41.673 -10.958 -9.948 1.00 20.40 O ATOM 1100 OE2 GLU A 74 40.001 -11.433 -8.603 1.00 53.14 O ATOM 0 H GLU A 74 37.213 -9.076 -11.396 1.00 52.35 H new ATOM 0 HA GLU A 74 37.650 -11.578 -12.820 1.00 33.25 H new ATOM 0 HB2 GLU A 74 39.889 -11.405 -11.961 1.00 20.03 H new ATOM 0 HB3 GLU A 74 39.418 -9.822 -12.548 1.00 20.03 H new ATOM 0 HG2 GLU A 74 40.044 -8.991 -10.566 1.00 21.34 H new ATOM 0 HG3 GLU A 74 38.646 -9.779 -9.862 1.00 21.34 H new ATOM 1107 N CYS A 75 37.575 -13.276 -10.976 1.00 33.42 N ATOM 1108 CA CYS A 75 37.290 -14.280 -9.960 1.00 11.34 C ATOM 1109 C CYS A 75 38.487 -15.204 -9.756 1.00 63.02 C ATOM 1110 O CYS A 75 38.992 -15.802 -10.707 1.00 22.24 O ATOM 1111 CB CYS A 75 36.061 -15.102 -10.355 1.00 44.52 C ATOM 1112 SG CYS A 75 35.386 -14.688 -11.995 1.00 11.22 S ATOM 0 H CYS A 75 37.877 -13.657 -11.873 1.00 33.42 H new ATOM 0 HA CYS A 75 37.088 -13.763 -9.022 1.00 11.34 H new ATOM 0 HB2 CYS A 75 36.324 -16.160 -10.339 1.00 44.52 H new ATOM 0 HB3 CYS A 75 35.283 -14.955 -9.606 1.00 44.52 H new ATOM 1118 N ASP A 76 38.938 -15.315 -8.512 1.00 23.11 N ATOM 1119 CA ASP A 76 40.075 -16.167 -8.183 1.00 61.44 C ATOM 1120 C ASP A 76 39.610 -17.557 -7.760 1.00 51.03 C ATOM 1121 O ASP A 76 38.798 -17.699 -6.845 1.00 64.24 O ATOM 1122 CB ASP A 76 40.909 -15.534 -7.067 1.00 73.53 C ATOM 1123 CG ASP A 76 42.331 -15.241 -7.502 1.00 53.32 C ATOM 1124 OD1 ASP A 76 42.872 -16.015 -8.320 1.00 65.33 O ATOM 1125 OD2 ASP A 76 42.902 -14.237 -7.028 1.00 2.33 O ATOM 0 H ASP A 76 38.534 -14.825 -7.714 1.00 23.11 H new ATOM 0 HA ASP A 76 40.692 -16.266 -9.076 1.00 61.44 H new ATOM 0 HB2 ASP A 76 40.433 -14.608 -6.742 1.00 73.53 H new ATOM 0 HB3 ASP A 76 40.926 -16.203 -6.206 1.00 73.53 H new ATOM 1130 N ALA A 77 40.128 -18.579 -8.434 1.00 13.24 N ATOM 1131 CA ALA A 77 39.765 -19.957 -8.127 1.00 12.22 C ATOM 1132 C ALA A 77 40.020 -20.278 -6.659 1.00 12.15 C ATOM 1133 O ALA A 77 39.431 -21.206 -6.105 1.00 74.31 O ATOM 1134 CB ALA A 77 40.537 -20.916 -9.021 1.00 34.10 C ATOM 0 H ALA A 77 40.799 -18.479 -9.195 1.00 13.24 H new ATOM 0 HA ALA A 77 38.699 -20.078 -8.317 1.00 12.22 H new ATOM 0 HB1 ALA A 77 40.257 -21.942 -8.782 1.00 34.10 H new ATOM 0 HB2 ALA A 77 40.301 -20.710 -10.065 1.00 34.10 H new ATOM 0 HB3 ALA A 77 41.607 -20.785 -8.858 1.00 34.10 H new ATOM 1140 N ALA A 78 40.903 -19.506 -6.034 1.00 12.35 N ATOM 1141 CA ALA A 78 41.234 -19.707 -4.629 1.00 2.25 C ATOM 1142 C ALA A 78 40.051 -19.366 -3.731 1.00 14.44 C ATOM 1143 O ALA A 78 39.920 -19.898 -2.627 1.00 61.03 O ATOM 1144 CB ALA A 78 42.446 -18.872 -4.248 1.00 45.53 C ATOM 0 H ALA A 78 41.402 -18.736 -6.479 1.00 12.35 H new ATOM 0 HA ALA A 78 41.473 -20.761 -4.485 1.00 2.25 H new ATOM 0 HB1 ALA A 78 42.682 -19.032 -3.196 1.00 45.53 H new ATOM 0 HB2 ALA A 78 43.298 -19.167 -4.860 1.00 45.53 H new ATOM 0 HB3 ALA A 78 42.228 -17.817 -4.415 1.00 45.53 H new ATOM 1150 N THR A 79 39.188 -18.475 -4.210 1.00 54.42 N ATOM 1151 CA THR A 79 38.015 -18.061 -3.448 1.00 35.54 C ATOM 1152 C THR A 79 36.734 -18.598 -4.078 1.00 31.34 C ATOM 1153 O THR A 79 35.741 -18.825 -3.388 1.00 71.13 O ATOM 1154 CB THR A 79 37.922 -16.527 -3.351 1.00 50.13 C ATOM 1155 OG1 THR A 79 36.702 -16.151 -2.702 1.00 71.13 O ATOM 1156 CG2 THR A 79 37.984 -15.891 -4.732 1.00 32.22 C ATOM 0 H THR A 79 39.279 -18.026 -5.121 1.00 54.42 H new ATOM 0 HA THR A 79 38.125 -18.475 -2.446 1.00 35.54 H new ATOM 0 HB THR A 79 38.770 -16.170 -2.767 1.00 50.13 H new ATOM 0 HG1 THR A 79 35.989 -16.068 -3.369 1.00 71.13 H new ATOM 0 HG21 THR A 79 37.916 -14.807 -4.637 1.00 32.22 H new ATOM 0 HG22 THR A 79 38.926 -16.155 -5.212 1.00 32.22 H new ATOM 0 HG23 THR A 79 37.154 -16.255 -5.338 1.00 32.22 H new ATOM 1164 N SER A 80 36.765 -18.800 -5.391 1.00 53.10 N ATOM 1165 CA SER A 80 35.604 -19.307 -6.114 1.00 51.31 C ATOM 1166 C SER A 80 34.434 -18.333 -6.014 1.00 72.40 C ATOM 1167 O SER A 80 33.289 -18.736 -5.804 1.00 23.34 O ATOM 1168 CB SER A 80 35.194 -20.674 -5.565 1.00 13.41 C ATOM 1169 OG SER A 80 34.205 -21.276 -6.382 1.00 72.42 O ATOM 0 H SER A 80 37.581 -18.621 -5.976 1.00 53.10 H new ATOM 0 HA SER A 80 35.877 -19.412 -7.164 1.00 51.31 H new ATOM 0 HB2 SER A 80 36.068 -21.323 -5.508 1.00 13.41 H new ATOM 0 HB3 SER A 80 34.813 -20.562 -4.550 1.00 13.41 H new ATOM 0 HG SER A 80 33.440 -20.669 -6.471 1.00 72.42 H new ATOM 1175 N THR A 81 34.729 -17.046 -6.167 1.00 31.43 N ATOM 1176 CA THR A 81 33.703 -16.012 -6.095 1.00 2.52 C ATOM 1177 C THR A 81 34.069 -14.811 -6.959 1.00 33.34 C ATOM 1178 O THR A 81 35.224 -14.646 -7.351 1.00 75.21 O ATOM 1179 CB THR A 81 33.485 -15.539 -4.644 1.00 21.13 C ATOM 1180 OG1 THR A 81 34.734 -15.147 -4.065 1.00 41.54 O ATOM 1181 CG2 THR A 81 32.854 -16.641 -3.806 1.00 2.10 C ATOM 0 H THR A 81 35.670 -16.694 -6.342 1.00 31.43 H new ATOM 0 HA THR A 81 32.780 -16.456 -6.469 1.00 2.52 H new ATOM 0 HB THR A 81 32.809 -14.684 -4.660 1.00 21.13 H new ATOM 0 HG1 THR A 81 34.588 -14.847 -3.144 1.00 41.54 H new ATOM 0 HG21 THR A 81 32.709 -16.285 -2.786 1.00 2.10 H new ATOM 0 HG22 THR A 81 31.890 -16.917 -4.234 1.00 2.10 H new ATOM 0 HG23 THR A 81 33.510 -17.512 -3.797 1.00 2.10 H new ATOM 1189 N LYS A 82 33.079 -13.976 -7.251 1.00 11.20 N ATOM 1190 CA LYS A 82 33.296 -12.788 -8.068 1.00 24.24 C ATOM 1191 C LYS A 82 32.447 -11.623 -7.571 1.00 42.13 C ATOM 1192 O LYS A 82 31.396 -11.823 -6.962 1.00 3.21 O ATOM 1193 CB LYS A 82 32.966 -13.083 -9.533 1.00 12.34 C ATOM 1194 CG LYS A 82 31.563 -13.627 -9.743 1.00 22.25 C ATOM 1195 CD LYS A 82 30.940 -13.087 -11.019 1.00 40.55 C ATOM 1196 CE LYS A 82 29.847 -14.008 -11.539 1.00 13.30 C ATOM 1197 NZ LYS A 82 29.981 -14.258 -13.001 1.00 4.42 N ATOM 0 H LYS A 82 32.117 -14.100 -6.934 1.00 11.20 H new ATOM 0 HA LYS A 82 34.347 -12.510 -7.987 1.00 24.24 H new ATOM 0 HB2 LYS A 82 33.083 -12.168 -10.114 1.00 12.34 H new ATOM 0 HB3 LYS A 82 33.687 -13.802 -9.922 1.00 12.34 H new ATOM 0 HG2 LYS A 82 31.597 -14.716 -9.786 1.00 22.25 H new ATOM 0 HG3 LYS A 82 30.937 -13.361 -8.891 1.00 22.25 H new ATOM 0 HD2 LYS A 82 30.524 -12.097 -10.831 1.00 40.55 H new ATOM 0 HD3 LYS A 82 31.711 -12.970 -11.780 1.00 40.55 H new ATOM 0 HE2 LYS A 82 29.886 -14.956 -11.003 1.00 13.30 H new ATOM 0 HE3 LYS A 82 28.872 -13.566 -11.334 1.00 13.30 H new ATOM 0 HZ1 LYS A 82 29.418 -15.092 -13.264 1.00 4.42 H new ATOM 0 HZ2 LYS A 82 29.638 -13.429 -13.528 1.00 4.42 H new ATOM 0 HZ3 LYS A 82 30.980 -14.427 -13.234 1.00 4.42 H new ATOM 1211 N SER A 83 32.910 -10.404 -7.833 1.00 25.54 N ATOM 1212 CA SER A 83 32.194 -9.207 -7.410 1.00 40.31 C ATOM 1213 C SER A 83 31.906 -8.297 -8.599 1.00 71.41 C ATOM 1214 O SER A 83 32.693 -8.222 -9.543 1.00 33.41 O ATOM 1215 CB SER A 83 33.006 -8.448 -6.358 1.00 51.23 C ATOM 1216 OG SER A 83 32.692 -8.897 -5.050 1.00 65.53 O ATOM 0 H SER A 83 33.778 -10.220 -8.336 1.00 25.54 H new ATOM 0 HA SER A 83 31.244 -9.517 -6.974 1.00 40.31 H new ATOM 0 HB2 SER A 83 34.071 -8.585 -6.547 1.00 51.23 H new ATOM 0 HB3 SER A 83 32.803 -7.380 -6.438 1.00 51.23 H new ATOM 0 HG SER A 83 33.225 -8.398 -4.396 1.00 65.53 H new ATOM 1222 N ARG A 84 30.771 -7.606 -8.547 1.00 23.53 N ATOM 1223 CA ARG A 84 30.377 -6.703 -9.621 1.00 23.21 C ATOM 1224 C ARG A 84 29.430 -5.624 -9.103 1.00 45.43 C ATOM 1225 O ARG A 84 28.629 -5.866 -8.199 1.00 34.24 O ATOM 1226 CB ARG A 84 29.707 -7.482 -10.754 1.00 41.20 C ATOM 1227 CG ARG A 84 28.778 -6.637 -11.609 1.00 52.05 C ATOM 1228 CD ARG A 84 28.467 -7.315 -12.933 1.00 71.20 C ATOM 1229 NE ARG A 84 27.113 -7.859 -12.966 1.00 20.45 N ATOM 1230 CZ ARG A 84 26.645 -8.607 -13.960 1.00 43.20 C ATOM 1231 NH1 ARG A 84 27.418 -8.896 -14.997 1.00 21.42 N ATOM 1232 NH2 ARG A 84 25.401 -9.066 -13.918 1.00 44.14 N ATOM 0 H ARG A 84 30.109 -7.655 -7.773 1.00 23.53 H new ATOM 0 HA ARG A 84 31.277 -6.221 -10.004 1.00 23.21 H new ATOM 0 HB2 ARG A 84 30.478 -7.916 -11.391 1.00 41.20 H new ATOM 0 HB3 ARG A 84 29.141 -8.311 -10.328 1.00 41.20 H new ATOM 0 HG2 ARG A 84 27.850 -6.453 -11.067 1.00 52.05 H new ATOM 0 HG3 ARG A 84 29.237 -5.666 -11.795 1.00 52.05 H new ATOM 0 HD2 ARG A 84 28.589 -6.598 -13.745 1.00 71.20 H new ATOM 0 HD3 ARG A 84 29.184 -8.117 -13.106 1.00 71.20 H new ATOM 0 HE ARG A 84 26.492 -7.654 -12.183 1.00 20.45 H new ATOM 0 HH11 ARG A 84 28.375 -8.544 -15.034 1.00 21.42 H new ATOM 0 HH12 ARG A 84 27.056 -9.470 -15.758 1.00 21.42 H new ATOM 0 HH21 ARG A 84 24.802 -8.845 -13.122 1.00 44.14 H new ATOM 0 HH22 ARG A 84 25.043 -9.640 -14.682 1.00 44.14 H new ATOM 1246 N THR A 85 29.529 -4.430 -9.681 1.00 15.42 N ATOM 1247 CA THR A 85 28.684 -3.314 -9.277 1.00 54.12 C ATOM 1248 C THR A 85 27.766 -2.879 -10.413 1.00 30.10 C ATOM 1249 O THR A 85 28.171 -2.851 -11.574 1.00 12.11 O ATOM 1250 CB THR A 85 29.526 -2.107 -8.822 1.00 53.15 C ATOM 1251 OG1 THR A 85 30.838 -2.184 -9.390 1.00 51.53 O ATOM 1252 CG2 THR A 85 29.626 -2.057 -7.305 1.00 3.24 C ATOM 0 H THR A 85 30.186 -4.212 -10.430 1.00 15.42 H new ATOM 0 HA THR A 85 28.080 -3.663 -8.439 1.00 54.12 H new ATOM 0 HB THR A 85 29.034 -1.198 -9.167 1.00 53.15 H new ATOM 0 HG1 THR A 85 31.367 -1.412 -9.098 1.00 51.53 H new ATOM 0 HG21 THR A 85 30.225 -1.196 -7.008 1.00 3.24 H new ATOM 0 HG22 THR A 85 28.627 -1.969 -6.877 1.00 3.24 H new ATOM 0 HG23 THR A 85 30.097 -2.970 -6.941 1.00 3.24 H new ATOM 1260 N GLY A 86 26.527 -2.540 -10.071 1.00 54.40 N ATOM 1261 CA GLY A 86 25.570 -2.110 -11.075 1.00 63.23 C ATOM 1262 C GLY A 86 25.075 -0.698 -10.838 1.00 53.12 C ATOM 1263 O GLY A 86 24.783 -0.316 -9.704 1.00 0.42 O ATOM 0 H GLY A 86 26.168 -2.555 -9.116 1.00 54.40 H new ATOM 0 HA2 GLY A 86 26.031 -2.169 -12.061 1.00 63.23 H new ATOM 0 HA3 GLY A 86 24.721 -2.793 -11.079 1.00 63.23 H new ATOM 1267 N THR A 87 24.982 0.083 -11.909 1.00 60.22 N ATOM 1268 CA THR A 87 24.522 1.463 -11.812 1.00 42.33 C ATOM 1269 C THR A 87 23.028 1.566 -12.100 1.00 24.11 C ATOM 1270 O THR A 87 22.551 1.092 -13.132 1.00 54.12 O ATOM 1271 CB THR A 87 25.286 2.379 -12.786 1.00 52.00 C ATOM 1272 OG1 THR A 87 26.697 2.185 -12.638 1.00 55.42 O ATOM 1273 CG2 THR A 87 24.941 3.840 -12.538 1.00 50.14 C ATOM 0 H THR A 87 25.219 -0.217 -12.855 1.00 60.22 H new ATOM 0 HA THR A 87 24.715 1.790 -10.790 1.00 42.33 H new ATOM 0 HB THR A 87 24.989 2.119 -13.802 1.00 52.00 H new ATOM 0 HG1 THR A 87 27.175 2.770 -13.262 1.00 55.42 H new ATOM 0 HG21 THR A 87 25.493 4.468 -13.238 1.00 50.14 H new ATOM 0 HG22 THR A 87 23.871 3.991 -12.681 1.00 50.14 H new ATOM 0 HG23 THR A 87 25.212 4.110 -11.517 1.00 50.14 H new ATOM 1281 N LEU A 88 22.296 2.187 -11.183 1.00 53.52 N ATOM 1282 CA LEU A 88 20.855 2.354 -11.340 1.00 4.25 C ATOM 1283 C LEU A 88 20.533 3.164 -12.590 1.00 51.12 C ATOM 1284 O LEU A 88 21.274 4.076 -12.959 1.00 10.52 O ATOM 1285 CB LEU A 88 20.264 3.039 -10.107 1.00 41.22 C ATOM 1286 CG LEU A 88 18.738 3.041 -10.005 1.00 65.23 C ATOM 1287 CD1 LEU A 88 18.242 1.727 -9.421 1.00 15.23 C ATOM 1288 CD2 LEU A 88 18.261 4.215 -9.163 1.00 53.40 C ATOM 0 H LEU A 88 22.676 2.583 -10.323 1.00 53.52 H new ATOM 0 HA LEU A 88 20.409 1.365 -11.447 1.00 4.25 H new ATOM 0 HB2 LEU A 88 20.667 2.553 -9.218 1.00 41.22 H new ATOM 0 HB3 LEU A 88 20.610 4.072 -10.090 1.00 41.22 H new ATOM 0 HG LEU A 88 18.325 3.149 -11.008 1.00 65.23 H new ATOM 0 HD11 LEU A 88 17.154 1.746 -9.355 1.00 15.23 H new ATOM 0 HD12 LEU A 88 18.553 0.903 -10.063 1.00 15.23 H new ATOM 0 HD13 LEU A 88 18.663 1.589 -8.425 1.00 15.23 H new ATOM 0 HD21 LEU A 88 17.173 4.200 -9.101 1.00 53.40 H new ATOM 0 HD22 LEU A 88 18.682 4.139 -8.161 1.00 53.40 H new ATOM 0 HD23 LEU A 88 18.586 5.148 -9.623 1.00 53.40 H new ATOM 1300 N GLN A 89 19.422 2.827 -13.237 1.00 54.13 N ATOM 1301 CA GLN A 89 19.001 3.525 -14.447 1.00 44.54 C ATOM 1302 C GLN A 89 17.710 4.300 -14.207 1.00 42.23 C ATOM 1303 O GLN A 89 17.722 5.525 -14.087 1.00 75.31 O ATOM 1304 CB GLN A 89 18.807 2.532 -15.594 1.00 4.34 C ATOM 1305 CG GLN A 89 20.102 2.148 -16.291 1.00 55.14 C ATOM 1306 CD GLN A 89 19.947 2.053 -17.796 1.00 2.33 C ATOM 1307 OE1 GLN A 89 19.878 3.067 -18.490 1.00 32.55 O ATOM 1308 NE2 GLN A 89 19.893 0.829 -18.309 1.00 12.50 N ATOM 0 H GLN A 89 18.797 2.076 -12.944 1.00 54.13 H new ATOM 0 HA GLN A 89 19.784 4.233 -14.718 1.00 44.54 H new ATOM 0 HB2 GLN A 89 18.331 1.631 -15.207 1.00 4.34 H new ATOM 0 HB3 GLN A 89 18.124 2.964 -16.326 1.00 4.34 H new ATOM 0 HG2 GLN A 89 20.870 2.884 -16.054 1.00 55.14 H new ATOM 0 HG3 GLN A 89 20.449 1.190 -15.904 1.00 55.14 H new ATOM 0 HE21 GLN A 89 19.954 0.016 -17.696 1.00 12.50 H new ATOM 0 HE22 GLN A 89 19.790 0.702 -19.316 1.00 12.50 H new ATOM 1317 N LYS A 90 16.596 3.579 -14.135 1.00 2.32 N ATOM 1318 CA LYS A 90 15.295 4.198 -13.907 1.00 64.12 C ATOM 1319 C LYS A 90 14.410 3.302 -13.048 1.00 52.14 C ATOM 1320 O LYS A 90 14.630 2.094 -12.961 1.00 32.32 O ATOM 1321 CB LYS A 90 14.606 4.487 -15.243 1.00 12.43 C ATOM 1322 CG LYS A 90 14.280 3.237 -16.041 1.00 15.45 C ATOM 1323 CD LYS A 90 15.473 2.766 -16.852 1.00 31.11 C ATOM 1324 CE LYS A 90 15.071 2.384 -18.269 1.00 51.54 C ATOM 1325 NZ LYS A 90 16.093 2.803 -19.267 1.00 2.12 N ATOM 0 H LYS A 90 16.568 2.564 -14.231 1.00 2.32 H new ATOM 0 HA LYS A 90 15.453 5.137 -13.376 1.00 64.12 H new ATOM 0 HB2 LYS A 90 13.685 5.039 -15.055 1.00 12.43 H new ATOM 0 HB3 LYS A 90 15.248 5.133 -15.841 1.00 12.43 H new ATOM 0 HG2 LYS A 90 13.964 2.444 -15.363 1.00 15.45 H new ATOM 0 HG3 LYS A 90 13.442 3.439 -16.708 1.00 15.45 H new ATOM 0 HD2 LYS A 90 16.225 3.555 -16.886 1.00 31.11 H new ATOM 0 HD3 LYS A 90 15.933 1.909 -16.360 1.00 31.11 H new ATOM 0 HE2 LYS A 90 14.927 1.305 -18.327 1.00 51.54 H new ATOM 0 HE3 LYS A 90 14.115 2.847 -18.512 1.00 51.54 H new ATOM 0 HZ1 LYS A 90 15.782 2.525 -20.220 1.00 2.12 H new ATOM 0 HZ2 LYS A 90 16.212 3.835 -19.229 1.00 2.12 H new ATOM 0 HZ3 LYS A 90 17.000 2.342 -19.050 1.00 2.12 H new ATOM 1339 N ALA A 91 13.406 3.902 -12.415 1.00 31.24 N ATOM 1340 CA ALA A 91 12.485 3.156 -11.567 1.00 62.31 C ATOM 1341 C ALA A 91 11.252 2.715 -12.349 1.00 11.24 C ATOM 1342 O ALA A 91 10.560 3.536 -12.952 1.00 1.23 O ATOM 1343 CB ALA A 91 12.077 3.997 -10.366 1.00 62.10 C ATOM 0 H ALA A 91 13.211 4.901 -12.474 1.00 31.24 H new ATOM 0 HA ALA A 91 12.998 2.261 -11.215 1.00 62.31 H new ATOM 0 HB1 ALA A 91 11.389 3.428 -9.740 1.00 62.10 H new ATOM 0 HB2 ALA A 91 12.963 4.258 -9.787 1.00 62.10 H new ATOM 0 HB3 ALA A 91 11.587 4.908 -10.709 1.00 62.10 H new ATOM 1349 N LEU A 92 10.984 1.414 -12.336 1.00 51.40 N ATOM 1350 CA LEU A 92 9.834 0.863 -13.045 1.00 24.14 C ATOM 1351 C LEU A 92 8.865 0.195 -12.074 1.00 10.53 C ATOM 1352 O LEU A 92 8.248 -0.820 -12.396 1.00 25.10 O ATOM 1353 CB LEU A 92 10.296 -0.148 -14.097 1.00 55.23 C ATOM 1354 CG LEU A 92 11.193 -1.279 -13.594 1.00 54.34 C ATOM 1355 CD1 LEU A 92 10.761 -2.608 -14.195 1.00 30.13 C ATOM 1356 CD2 LEU A 92 12.649 -0.990 -13.921 1.00 73.31 C ATOM 0 H LEU A 92 11.547 0.721 -11.843 1.00 51.40 H new ATOM 0 HA LEU A 92 9.316 1.684 -13.540 1.00 24.14 H new ATOM 0 HB2 LEU A 92 9.413 -0.590 -14.559 1.00 55.23 H new ATOM 0 HB3 LEU A 92 10.830 0.391 -14.880 1.00 55.23 H new ATOM 0 HG LEU A 92 11.093 -1.344 -12.511 1.00 54.34 H new ATOM 0 HD11 LEU A 92 11.410 -3.402 -13.826 1.00 30.13 H new ATOM 0 HD12 LEU A 92 9.731 -2.819 -13.909 1.00 30.13 H new ATOM 0 HD13 LEU A 92 10.832 -2.556 -15.281 1.00 30.13 H new ATOM 0 HD21 LEU A 92 13.273 -1.806 -13.555 1.00 73.31 H new ATOM 0 HD22 LEU A 92 12.768 -0.898 -15.001 1.00 73.31 H new ATOM 0 HD23 LEU A 92 12.952 -0.059 -13.442 1.00 73.31 H new ATOM 1368 N PHE A 93 8.733 0.775 -10.885 1.00 60.05 N ATOM 1369 CA PHE A 93 7.837 0.237 -9.867 1.00 42.04 C ATOM 1370 C PHE A 93 7.334 1.344 -8.946 1.00 72.45 C ATOM 1371 O PHE A 93 6.885 1.083 -7.832 1.00 51.24 O ATOM 1372 CB PHE A 93 8.551 -0.840 -9.047 1.00 74.34 C ATOM 1373 CG PHE A 93 7.871 -2.177 -9.093 1.00 11.43 C ATOM 1374 CD1 PHE A 93 6.832 -2.472 -8.224 1.00 3.11 C ATOM 1375 CD2 PHE A 93 8.269 -3.141 -10.006 1.00 63.44 C ATOM 1376 CE1 PHE A 93 6.205 -3.703 -8.264 1.00 22.11 C ATOM 1377 CE2 PHE A 93 7.645 -4.374 -10.051 1.00 64.31 C ATOM 1378 CZ PHE A 93 6.612 -4.655 -9.180 1.00 73.24 C ATOM 0 H PHE A 93 9.235 1.617 -10.603 1.00 60.05 H new ATOM 0 HA PHE A 93 6.980 -0.209 -10.371 1.00 42.04 H new ATOM 0 HB2 PHE A 93 9.572 -0.948 -9.414 1.00 74.34 H new ATOM 0 HB3 PHE A 93 8.618 -0.511 -8.010 1.00 74.34 H new ATOM 0 HD1 PHE A 93 6.509 -1.731 -7.507 1.00 3.11 H new ATOM 0 HD2 PHE A 93 9.076 -2.926 -10.691 1.00 63.44 H new ATOM 0 HE1 PHE A 93 5.398 -3.921 -7.580 1.00 22.11 H new ATOM 0 HE2 PHE A 93 7.966 -5.116 -10.767 1.00 64.31 H new ATOM 0 HZ PHE A 93 6.122 -5.617 -9.214 1.00 73.24 H new ATOM 1388 N ASN A 94 7.414 2.584 -9.422 1.00 34.33 N ATOM 1389 CA ASN A 94 6.967 3.732 -8.641 1.00 23.24 C ATOM 1390 C ASN A 94 7.592 3.719 -7.248 1.00 71.51 C ATOM 1391 O ASN A 94 6.911 3.485 -6.253 1.00 13.35 O ATOM 1392 CB ASN A 94 5.442 3.735 -8.527 1.00 22.10 C ATOM 1393 CG ASN A 94 4.762 3.930 -9.869 1.00 24.43 C ATOM 1394 OD1 ASN A 94 4.504 5.058 -10.289 1.00 13.22 O ATOM 1395 ND2 ASN A 94 4.469 2.828 -10.549 1.00 23.02 N ATOM 0 H ASN A 94 7.784 2.818 -10.343 1.00 34.33 H new ATOM 0 HA ASN A 94 7.288 4.637 -9.156 1.00 23.24 H new ATOM 0 HB2 ASN A 94 5.111 2.793 -8.089 1.00 22.10 H new ATOM 0 HB3 ASN A 94 5.133 4.529 -7.847 1.00 22.10 H new ATOM 0 HD21 ASN A 94 4.012 2.896 -11.458 1.00 23.02 H new ATOM 0 HD22 ASN A 94 4.701 1.913 -10.162 1.00 23.02 H new ATOM 1402 N VAL A 95 8.895 3.975 -7.189 1.00 24.54 N ATOM 1403 CA VAL A 95 9.613 3.995 -5.921 1.00 4.31 C ATOM 1404 C VAL A 95 11.065 4.420 -6.116 1.00 34.13 C ATOM 1405 O VAL A 95 11.647 4.202 -7.178 1.00 72.14 O ATOM 1406 CB VAL A 95 9.581 2.616 -5.235 1.00 25.42 C ATOM 1407 CG1 VAL A 95 10.432 1.616 -6.007 1.00 13.24 C ATOM 1408 CG2 VAL A 95 10.052 2.726 -3.793 1.00 63.32 C ATOM 0 H VAL A 95 9.475 4.171 -8.005 1.00 24.54 H new ATOM 0 HA VAL A 95 9.108 4.721 -5.284 1.00 4.31 H new ATOM 0 HB VAL A 95 8.552 2.256 -5.230 1.00 25.42 H new ATOM 0 HG11 VAL A 95 10.398 0.647 -5.508 1.00 13.24 H new ATOM 0 HG12 VAL A 95 10.045 1.516 -7.021 1.00 13.24 H new ATOM 0 HG13 VAL A 95 11.463 1.968 -6.045 1.00 13.24 H new ATOM 0 HG21 VAL A 95 10.023 1.742 -3.325 1.00 63.32 H new ATOM 0 HG22 VAL A 95 11.073 3.108 -3.772 1.00 63.32 H new ATOM 0 HG23 VAL A 95 9.399 3.407 -3.248 1.00 63.32 H new ATOM 1418 N GLU A 96 11.642 5.025 -5.084 1.00 62.44 N ATOM 1419 CA GLU A 96 13.027 5.482 -5.143 1.00 75.21 C ATOM 1420 C GLU A 96 13.990 4.333 -4.856 1.00 73.12 C ATOM 1421 O GLU A 96 13.979 3.756 -3.769 1.00 52.34 O ATOM 1422 CB GLU A 96 13.256 6.617 -4.143 1.00 34.43 C ATOM 1423 CG GLU A 96 12.846 6.269 -2.723 1.00 3.44 C ATOM 1424 CD GLU A 96 11.682 7.106 -2.230 1.00 21.14 C ATOM 1425 OE1 GLU A 96 10.593 7.021 -2.835 1.00 55.21 O ATOM 1426 OE2 GLU A 96 11.860 7.844 -1.239 1.00 15.13 O ATOM 0 H GLU A 96 11.174 5.211 -4.197 1.00 62.44 H new ATOM 0 HA GLU A 96 13.219 5.852 -6.150 1.00 75.21 H new ATOM 0 HB2 GLU A 96 14.311 6.889 -4.151 1.00 34.43 H new ATOM 0 HB3 GLU A 96 12.698 7.495 -4.469 1.00 34.43 H new ATOM 0 HG2 GLU A 96 12.576 5.214 -2.675 1.00 3.44 H new ATOM 0 HG3 GLU A 96 13.698 6.411 -2.058 1.00 3.44 H new ATOM 1433 N CYS A 97 14.822 4.008 -5.840 1.00 50.44 N ATOM 1434 CA CYS A 97 15.792 2.929 -5.695 1.00 63.11 C ATOM 1435 C CYS A 97 17.190 3.485 -5.443 1.00 64.11 C ATOM 1436 O CYS A 97 17.448 4.668 -5.665 1.00 61.15 O ATOM 1437 CB CYS A 97 15.799 2.050 -6.947 1.00 51.52 C ATOM 1438 SG CYS A 97 14.595 0.683 -6.901 1.00 73.01 S ATOM 0 H CYS A 97 14.844 4.476 -6.746 1.00 50.44 H new ATOM 0 HA CYS A 97 15.500 2.324 -4.836 1.00 63.11 H new ATOM 0 HB2 CYS A 97 15.592 2.673 -7.817 1.00 51.52 H new ATOM 0 HB3 CYS A 97 16.798 1.636 -7.082 1.00 51.52 H new ATOM 1444 N GLN A 98 18.090 2.623 -4.979 1.00 61.12 N ATOM 1445 CA GLN A 98 19.462 3.028 -4.698 1.00 45.50 C ATOM 1446 C GLN A 98 20.183 3.437 -5.978 1.00 40.32 C ATOM 1447 O GLN A 98 19.838 2.979 -7.066 1.00 31.03 O ATOM 1448 CB GLN A 98 20.221 1.892 -4.010 1.00 21.21 C ATOM 1449 CG GLN A 98 20.501 2.148 -2.538 1.00 73.34 C ATOM 1450 CD GLN A 98 19.657 1.283 -1.624 1.00 23.50 C ATOM 1451 OE1 GLN A 98 18.758 1.774 -0.941 1.00 61.12 O ATOM 1452 NE2 GLN A 98 19.944 -0.013 -1.606 1.00 14.13 N ATOM 0 H GLN A 98 17.893 1.640 -4.790 1.00 61.12 H new ATOM 0 HA GLN A 98 19.430 3.890 -4.031 1.00 45.50 H new ATOM 0 HB2 GLN A 98 19.645 0.971 -4.107 1.00 21.21 H new ATOM 0 HB3 GLN A 98 21.167 1.732 -4.528 1.00 21.21 H new ATOM 0 HG2 GLN A 98 21.556 1.963 -2.335 1.00 73.34 H new ATOM 0 HG3 GLN A 98 20.313 3.198 -2.314 1.00 73.34 H new ATOM 0 HE21 GLN A 98 20.698 -0.377 -2.189 1.00 14.13 H new ATOM 0 HE22 GLN A 98 19.410 -0.645 -1.009 1.00 14.13 H new ATOM 1461 N GLN A 99 21.184 4.300 -5.838 1.00 1.34 N ATOM 1462 CA GLN A 99 21.952 4.769 -6.985 1.00 44.23 C ATOM 1463 C GLN A 99 22.844 3.661 -7.533 1.00 2.04 C ATOM 1464 O GLN A 99 23.018 3.532 -8.746 1.00 24.14 O ATOM 1465 CB GLN A 99 22.804 5.979 -6.592 1.00 34.21 C ATOM 1466 CG GLN A 99 23.435 6.687 -7.781 1.00 44.44 C ATOM 1467 CD GLN A 99 22.666 7.925 -8.197 1.00 74.55 C ATOM 1468 OE1 GLN A 99 23.011 9.044 -7.814 1.00 74.02 O ATOM 1469 NE2 GLN A 99 21.617 7.733 -8.989 1.00 1.12 N ATOM 0 H GLN A 99 21.482 4.688 -4.943 1.00 1.34 H new ATOM 0 HA GLN A 99 21.250 5.064 -7.765 1.00 44.23 H new ATOM 0 HB2 GLN A 99 22.183 6.688 -6.044 1.00 34.21 H new ATOM 0 HB3 GLN A 99 23.592 5.654 -5.913 1.00 34.21 H new ATOM 0 HG2 GLN A 99 24.459 6.966 -7.532 1.00 44.44 H new ATOM 0 HG3 GLN A 99 23.489 5.997 -8.623 1.00 44.44 H new ATOM 0 HE21 GLN A 99 21.366 6.789 -9.283 1.00 1.12 H new ATOM 0 HE22 GLN A 99 21.063 8.529 -9.303 1.00 1.12 H new ATOM 1478 N THR A 100 23.410 2.862 -6.634 1.00 54.33 N ATOM 1479 CA THR A 100 24.285 1.765 -7.027 1.00 33.23 C ATOM 1480 C THR A 100 24.181 0.601 -6.048 1.00 23.53 C ATOM 1481 O THR A 100 23.936 0.797 -4.858 1.00 61.42 O ATOM 1482 CB THR A 100 25.753 2.221 -7.112 1.00 44.53 C ATOM 1483 OG1 THR A 100 25.815 3.615 -7.436 1.00 63.43 O ATOM 1484 CG2 THR A 100 26.510 1.417 -8.157 1.00 62.10 C ATOM 0 H THR A 100 23.278 2.955 -5.627 1.00 54.33 H new ATOM 0 HA THR A 100 23.957 1.436 -8.013 1.00 33.23 H new ATOM 0 HB THR A 100 26.219 2.053 -6.141 1.00 44.53 H new ATOM 0 HG1 THR A 100 26.752 3.898 -7.487 1.00 63.43 H new ATOM 0 HG21 THR A 100 27.545 1.757 -8.199 1.00 62.10 H new ATOM 0 HG22 THR A 100 26.486 0.360 -7.891 1.00 62.10 H new ATOM 0 HG23 THR A 100 26.043 1.556 -9.132 1.00 62.10 H new ATOM 1492 N VAL A 101 24.370 -0.612 -6.558 1.00 41.10 N ATOM 1493 CA VAL A 101 24.300 -1.809 -5.728 1.00 22.54 C ATOM 1494 C VAL A 101 25.367 -2.821 -6.132 1.00 13.31 C ATOM 1495 O VAL A 101 25.709 -2.941 -7.308 1.00 45.23 O ATOM 1496 CB VAL A 101 22.915 -2.476 -5.819 1.00 51.23 C ATOM 1497 CG1 VAL A 101 21.819 -1.480 -5.470 1.00 75.44 C ATOM 1498 CG2 VAL A 101 22.695 -3.058 -7.207 1.00 51.11 C ATOM 0 H VAL A 101 24.573 -0.792 -7.541 1.00 41.10 H new ATOM 0 HA VAL A 101 24.475 -1.491 -4.700 1.00 22.54 H new ATOM 0 HB VAL A 101 22.875 -3.292 -5.097 1.00 51.23 H new ATOM 0 HG11 VAL A 101 20.847 -1.969 -5.540 1.00 75.44 H new ATOM 0 HG12 VAL A 101 21.969 -1.115 -4.454 1.00 75.44 H new ATOM 0 HG13 VAL A 101 21.854 -0.642 -6.166 1.00 75.44 H new ATOM 0 HG21 VAL A 101 21.711 -3.526 -7.254 1.00 51.11 H new ATOM 0 HG22 VAL A 101 22.754 -2.262 -7.949 1.00 51.11 H new ATOM 0 HG23 VAL A 101 23.462 -3.804 -7.414 1.00 51.11 H new ATOM 1508 N SER A 102 25.888 -3.547 -5.148 1.00 1.12 N ATOM 1509 CA SER A 102 26.918 -4.547 -5.400 1.00 23.03 C ATOM 1510 C SER A 102 26.303 -5.936 -5.552 1.00 42.24 C ATOM 1511 O SER A 102 25.198 -6.193 -5.072 1.00 24.24 O ATOM 1512 CB SER A 102 27.943 -4.553 -4.264 1.00 23.41 C ATOM 1513 OG SER A 102 27.302 -4.578 -3.000 1.00 50.34 O ATOM 0 H SER A 102 25.614 -3.461 -4.169 1.00 1.12 H new ATOM 0 HA SER A 102 27.420 -4.287 -6.332 1.00 23.03 H new ATOM 0 HB2 SER A 102 28.595 -5.421 -4.362 1.00 23.41 H new ATOM 0 HB3 SER A 102 28.577 -3.669 -4.337 1.00 23.41 H new ATOM 0 HG SER A 102 27.978 -4.583 -2.290 1.00 50.34 H new ATOM 1519 N VAL A 103 27.026 -6.826 -6.223 1.00 13.12 N ATOM 1520 CA VAL A 103 26.553 -8.189 -6.437 1.00 13.14 C ATOM 1521 C VAL A 103 27.683 -9.197 -6.260 1.00 14.33 C ATOM 1522 O VAL A 103 28.855 -8.873 -6.448 1.00 62.40 O ATOM 1523 CB VAL A 103 25.945 -8.356 -7.844 1.00 1.25 C ATOM 1524 CG1 VAL A 103 24.911 -7.274 -8.111 1.00 21.25 C ATOM 1525 CG2 VAL A 103 27.038 -8.336 -8.902 1.00 44.32 C ATOM 0 H VAL A 103 27.941 -6.628 -6.628 1.00 13.12 H new ATOM 0 HA VAL A 103 25.782 -8.379 -5.690 1.00 13.14 H new ATOM 0 HB VAL A 103 25.443 -9.322 -7.892 1.00 1.25 H new ATOM 0 HG11 VAL A 103 24.493 -7.408 -9.109 1.00 21.25 H new ATOM 0 HG12 VAL A 103 24.113 -7.342 -7.371 1.00 21.25 H new ATOM 0 HG13 VAL A 103 25.384 -6.294 -8.045 1.00 21.25 H new ATOM 0 HG21 VAL A 103 26.591 -8.455 -9.889 1.00 44.32 H new ATOM 0 HG22 VAL A 103 27.571 -7.386 -8.857 1.00 44.32 H new ATOM 0 HG23 VAL A 103 27.736 -9.153 -8.719 1.00 44.32 H new ATOM 1535 N THR A 104 27.322 -10.425 -5.898 1.00 75.33 N ATOM 1536 CA THR A 104 28.305 -11.482 -5.694 1.00 55.05 C ATOM 1537 C THR A 104 27.813 -12.806 -6.265 1.00 21.10 C ATOM 1538 O THR A 104 26.641 -13.159 -6.126 1.00 43.44 O ATOM 1539 CB THR A 104 28.628 -11.667 -4.201 1.00 4.25 C ATOM 1540 OG1 THR A 104 28.184 -10.526 -3.457 1.00 22.45 O ATOM 1541 CG2 THR A 104 30.121 -11.867 -3.990 1.00 65.31 C ATOM 0 H THR A 104 26.356 -10.712 -5.740 1.00 75.33 H new ATOM 0 HA THR A 104 29.211 -11.178 -6.218 1.00 55.05 H new ATOM 0 HB THR A 104 28.105 -12.556 -3.848 1.00 4.25 H new ATOM 0 HG1 THR A 104 28.392 -10.653 -2.508 1.00 22.45 H new ATOM 0 HG21 THR A 104 30.324 -11.995 -2.927 1.00 65.31 H new ATOM 0 HG22 THR A 104 30.449 -12.754 -4.532 1.00 65.31 H new ATOM 0 HG23 THR A 104 30.661 -10.995 -4.360 1.00 65.31 H new ATOM 1549 N LYS A 105 28.715 -13.539 -6.909 1.00 21.24 N ATOM 1550 CA LYS A 105 28.375 -14.828 -7.500 1.00 34.42 C ATOM 1551 C LYS A 105 29.587 -15.753 -7.523 1.00 32.14 C ATOM 1552 O LYS A 105 30.735 -15.312 -7.573 1.00 44.44 O ATOM 1553 CB LYS A 105 27.840 -14.635 -8.921 1.00 74.42 C ATOM 1554 CG LYS A 105 26.382 -15.026 -9.081 1.00 54.11 C ATOM 1555 CD LYS A 105 25.673 -14.138 -10.090 1.00 12.33 C ATOM 1556 CE LYS A 105 25.663 -14.766 -11.475 1.00 33.14 C ATOM 1557 NZ LYS A 105 24.933 -16.063 -11.491 1.00 31.11 N ATOM 0 H LYS A 105 29.688 -13.262 -7.035 1.00 21.24 H new ATOM 0 HA LYS A 105 27.601 -15.288 -6.886 1.00 34.42 H new ATOM 0 HB2 LYS A 105 27.960 -13.590 -9.207 1.00 74.42 H new ATOM 0 HB3 LYS A 105 28.443 -15.225 -9.611 1.00 74.42 H new ATOM 0 HG2 LYS A 105 26.316 -16.066 -9.401 1.00 54.11 H new ATOM 0 HG3 LYS A 105 25.878 -14.957 -8.117 1.00 54.11 H new ATOM 0 HD2 LYS A 105 24.649 -13.960 -9.763 1.00 12.33 H new ATOM 0 HD3 LYS A 105 26.167 -13.168 -10.133 1.00 12.33 H new ATOM 0 HE2 LYS A 105 25.198 -14.079 -12.182 1.00 33.14 H new ATOM 0 HE3 LYS A 105 26.688 -14.922 -11.810 1.00 33.14 H new ATOM 0 HZ1 LYS A 105 24.521 -16.218 -12.433 1.00 31.11 H new ATOM 0 HZ2 LYS A 105 25.593 -16.836 -11.270 1.00 31.11 H new ATOM 0 HZ3 LYS A 105 24.174 -16.043 -10.781 1.00 31.11 H new ATOM 1571 N PRO A 106 29.328 -17.069 -7.488 1.00 44.04 N ATOM 1572 CA PRO A 106 30.386 -18.084 -7.506 1.00 2.43 C ATOM 1573 C PRO A 106 31.095 -18.159 -8.853 1.00 24.14 C ATOM 1574 O PRO A 106 30.482 -18.484 -9.871 1.00 33.24 O ATOM 1575 CB PRO A 106 29.633 -19.386 -7.224 1.00 51.42 C ATOM 1576 CG PRO A 106 28.240 -19.126 -7.686 1.00 23.25 C ATOM 1577 CD PRO A 106 27.984 -17.667 -7.428 1.00 13.05 C ATOM 0 HA PRO A 106 31.173 -17.866 -6.784 1.00 2.43 H new ATOM 0 HB2 PRO A 106 30.078 -20.225 -7.760 1.00 51.42 H new ATOM 0 HB3 PRO A 106 29.658 -19.636 -6.163 1.00 51.42 H new ATOM 0 HG2 PRO A 106 28.130 -19.360 -8.745 1.00 23.25 H new ATOM 0 HG3 PRO A 106 27.527 -19.749 -7.146 1.00 23.25 H new ATOM 0 HD2 PRO A 106 27.319 -17.237 -8.177 1.00 13.05 H new ATOM 0 HD3 PRO A 106 27.516 -17.507 -6.457 1.00 13.05 H new ATOM 1585 N CYS A 107 32.389 -17.859 -8.855 1.00 60.25 N ATOM 1586 CA CYS A 107 33.181 -17.892 -10.078 1.00 5.14 C ATOM 1587 C CYS A 107 34.621 -18.301 -9.782 1.00 5.34 C ATOM 1588 O CYS A 107 35.177 -17.952 -8.741 1.00 44.52 O ATOM 1589 CB CYS A 107 33.159 -16.524 -10.763 1.00 62.31 C ATOM 1590 SG CYS A 107 34.181 -16.430 -12.267 1.00 21.01 S ATOM 0 H CYS A 107 32.912 -17.590 -8.022 1.00 60.25 H new ATOM 0 HA CYS A 107 32.741 -18.632 -10.746 1.00 5.14 H new ATOM 0 HB2 CYS A 107 32.129 -16.275 -11.020 1.00 62.31 H new ATOM 0 HB3 CYS A 107 33.503 -15.770 -10.055 1.00 62.31 H new ATOM 1596 N THR A 108 35.220 -19.047 -10.706 1.00 50.34 N ATOM 1597 CA THR A 108 36.595 -19.505 -10.544 1.00 62.01 C ATOM 1598 C THR A 108 37.390 -19.323 -11.833 1.00 11.42 C ATOM 1599 O THR A 108 36.837 -19.394 -12.932 1.00 53.51 O ATOM 1600 CB THR A 108 36.648 -20.986 -10.126 1.00 33.05 C ATOM 1601 OG1 THR A 108 37.981 -21.487 -10.263 1.00 41.00 O ATOM 1602 CG2 THR A 108 35.698 -21.822 -10.971 1.00 32.30 C ATOM 0 H THR A 108 34.775 -19.347 -11.573 1.00 50.34 H new ATOM 0 HA THR A 108 37.040 -18.897 -9.756 1.00 62.01 H new ATOM 0 HB THR A 108 36.339 -21.056 -9.083 1.00 33.05 H new ATOM 0 HG1 THR A 108 38.006 -22.429 -9.994 1.00 41.00 H new ATOM 0 HG21 THR A 108 35.753 -22.864 -10.657 1.00 32.30 H new ATOM 0 HG22 THR A 108 34.679 -21.457 -10.841 1.00 32.30 H new ATOM 0 HG23 THR A 108 35.980 -21.744 -12.021 1.00 32.30 H new ATOM 1610 N THR A 109 38.691 -19.091 -11.691 1.00 31.04 N ATOM 1611 CA THR A 109 39.562 -18.899 -12.845 1.00 40.01 C ATOM 1612 C THR A 109 39.667 -20.176 -13.673 1.00 41.22 C ATOM 1613 O THR A 109 39.191 -21.235 -13.265 1.00 54.54 O ATOM 1614 CB THR A 109 40.975 -18.462 -12.415 1.00 3.31 C ATOM 1615 OG1 THR A 109 40.930 -17.869 -11.112 1.00 12.52 O ATOM 1616 CG2 THR A 109 41.561 -17.471 -13.409 1.00 2.53 C ATOM 0 H THR A 109 39.165 -19.031 -10.790 1.00 31.04 H new ATOM 0 HA THR A 109 39.115 -18.112 -13.452 1.00 40.01 H new ATOM 0 HB THR A 109 41.612 -19.346 -12.389 1.00 3.31 H new ATOM 0 HG1 THR A 109 40.246 -17.167 -11.095 1.00 12.52 H new ATOM 0 HG21 THR A 109 42.559 -17.177 -13.084 1.00 2.53 H new ATOM 0 HG22 THR A 109 41.622 -17.936 -14.393 1.00 2.53 H new ATOM 0 HG23 THR A 109 40.923 -16.589 -13.463 1.00 2.53 H new