USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=20 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 89 GLN : amide:sc= -1.28 X(o=-1.6,f=-1.2) USER MOD Set 1.2: A 90 LYS NZ :NH3+ 149:sc= -0.313 (180deg=-1.42) USER MOD Set 2.1: A 79 THR OG1 : rot -78:sc= 1.16 USER MOD Set 2.2: A 81 THR OG1 : rot 173:sc= 1.05 USER MOD Set 3.1: A 42 CYS SG : rot 115:sc= 0.529 USER MOD Set 3.2: A 43 ASN : amide:sc= 0 X(o=0.53,f=0.53) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.679 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) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 35 GLN : amide:sc= -0.0951 K(o=-0.095,f=-2!) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -11:sc= 0.823 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.48) 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+ 170:sc= 0 (180deg=-0.163) USER MOD Single : A 56 ASN : amide:sc= -0.368 X(o=-0.37,f=-0.68) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -156:sc= -0.0219 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=-0.9) USER MOD Single : A 80 SER OG : rot 180:sc= -0.0371 USER MOD Single : A 82 LYS NZ :NH3+ -121:sc= -2.57 (180deg=-6.85!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0349 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0354 USER MOD Single : A 94 ASN : amide:sc= -0.019 X(o=-0.019,f=0) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 GLN : amide:sc= -0.0538 K(o=-0.054,f=-0.72) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.0878 USER MOD Single : A 102 SER OG : rot 18:sc= 0.0432 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.344 USER MOD Single : A 109 THR OG1 : rot -76:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 257 N ALA A 19 43.125 -21.672 -32.503 1.00 11.21 N ATOM 258 CA ALA A 19 43.210 -20.392 -31.809 1.00 10.44 C ATOM 259 C ALA A 19 41.829 -19.768 -31.640 1.00 73.24 C ATOM 260 O ALA A 19 41.588 -19.026 -30.688 1.00 5.20 O ATOM 261 CB ALA A 19 44.132 -19.446 -32.561 1.00 40.22 C ATOM 0 HA ALA A 19 43.623 -20.570 -30.816 1.00 10.44 H new ATOM 0 HB1 ALA A 19 44.187 -18.494 -32.032 1.00 40.22 H new ATOM 0 HB2 ALA A 19 45.128 -19.883 -32.625 1.00 40.22 H new ATOM 0 HB3 ALA A 19 43.743 -19.281 -33.566 1.00 40.22 H new ATOM 267 N GLU A 20 40.929 -20.071 -32.569 1.00 32.21 N ATOM 268 CA GLU A 20 39.573 -19.535 -32.522 1.00 21.53 C ATOM 269 C GLU A 20 38.543 -20.659 -32.583 1.00 44.42 C ATOM 270 O GLU A 20 38.034 -20.993 -33.654 1.00 61.35 O ATOM 271 CB GLU A 20 39.346 -18.558 -33.678 1.00 65.10 C ATOM 272 CG GLU A 20 39.750 -19.113 -35.033 1.00 35.30 C ATOM 273 CD GLU A 20 40.855 -18.306 -35.688 1.00 4.21 C ATOM 274 OE1 GLU A 20 40.639 -17.103 -35.945 1.00 2.34 O ATOM 275 OE2 GLU A 20 41.937 -18.879 -35.942 1.00 43.44 O ATOM 0 H GLU A 20 41.113 -20.684 -33.363 1.00 32.21 H new ATOM 0 HA GLU A 20 39.452 -19.004 -31.578 1.00 21.53 H new ATOM 0 HB2 GLU A 20 38.292 -18.282 -33.708 1.00 65.10 H new ATOM 0 HB3 GLU A 20 39.909 -17.645 -33.486 1.00 65.10 H new ATOM 0 HG2 GLU A 20 40.080 -20.145 -34.915 1.00 35.30 H new ATOM 0 HG3 GLU A 20 38.880 -19.130 -35.689 1.00 35.30 H new ATOM 282 N TRP A 21 38.241 -21.239 -31.427 1.00 42.24 N ATOM 283 CA TRP A 21 37.270 -22.326 -31.347 1.00 34.53 C ATOM 284 C TRP A 21 35.864 -21.823 -31.651 1.00 65.42 C ATOM 285 O TRP A 21 35.390 -20.866 -31.037 1.00 42.33 O ATOM 286 CB TRP A 21 37.307 -22.969 -29.961 1.00 33.54 C ATOM 287 CG TRP A 21 38.465 -23.905 -29.770 1.00 53.21 C ATOM 288 CD1 TRP A 21 39.457 -23.802 -28.838 1.00 23.01 C ATOM 289 CD2 TRP A 21 38.749 -25.083 -30.533 1.00 53.55 C ATOM 290 NE1 TRP A 21 40.340 -24.844 -28.975 1.00 22.44 N ATOM 291 CE2 TRP A 21 39.928 -25.644 -30.008 1.00 22.13 C ATOM 292 CE3 TRP A 21 38.121 -25.717 -31.608 1.00 41.51 C ATOM 293 CZ2 TRP A 21 40.490 -26.810 -30.522 1.00 14.11 C ATOM 294 CZ3 TRP A 21 38.680 -26.874 -32.117 1.00 34.11 C ATOM 295 CH2 TRP A 21 39.856 -27.411 -31.574 1.00 43.24 C ATOM 0 H TRP A 21 38.654 -20.976 -30.532 1.00 42.24 H new ATOM 0 HA TRP A 21 37.537 -23.074 -32.093 1.00 34.53 H new ATOM 0 HB2 TRP A 21 37.355 -22.185 -29.206 1.00 33.54 H new ATOM 0 HB3 TRP A 21 36.378 -23.514 -29.796 1.00 33.54 H new ATOM 0 HD1 TRP A 21 39.536 -23.016 -28.101 1.00 23.01 H new ATOM 0 HE1 TRP A 21 41.169 -24.998 -28.401 1.00 22.44 H new ATOM 0 HE3 TRP A 21 37.215 -25.310 -32.033 1.00 41.51 H new ATOM 0 HZ2 TRP A 21 41.395 -27.225 -30.104 1.00 14.11 H new ATOM 0 HZ3 TRP A 21 38.203 -27.373 -32.947 1.00 34.11 H new ATOM 0 HH2 TRP A 21 40.269 -28.316 -31.994 1.00 43.24 H new ATOM 306 N LEU A 22 35.200 -22.473 -32.599 1.00 3.55 N ATOM 307 CA LEU A 22 33.845 -22.092 -32.984 1.00 2.24 C ATOM 308 C LEU A 22 32.827 -23.103 -32.464 1.00 10.00 C ATOM 309 O LEU A 22 32.727 -24.218 -32.976 1.00 33.04 O ATOM 310 CB LEU A 22 33.738 -21.979 -34.505 1.00 40.24 C ATOM 311 CG LEU A 22 34.052 -20.607 -35.101 1.00 32.32 C ATOM 312 CD1 LEU A 22 33.164 -19.540 -34.481 1.00 70.33 C ATOM 313 CD2 LEU A 22 35.522 -20.263 -34.900 1.00 23.42 C ATOM 0 H LEU A 22 35.577 -23.267 -33.116 1.00 3.55 H new ATOM 0 HA LEU A 22 33.626 -21.122 -32.538 1.00 2.24 H new ATOM 0 HB2 LEU A 22 34.412 -22.710 -34.952 1.00 40.24 H new ATOM 0 HB3 LEU A 22 32.726 -22.258 -34.799 1.00 40.24 H new ATOM 0 HG LEU A 22 33.850 -20.642 -36.172 1.00 32.32 H new ATOM 0 HD11 LEU A 22 33.402 -18.570 -34.918 1.00 70.33 H new ATOM 0 HD12 LEU A 22 32.118 -19.779 -34.675 1.00 70.33 H new ATOM 0 HD13 LEU A 22 33.334 -19.505 -33.405 1.00 70.33 H new ATOM 0 HD21 LEU A 22 35.728 -19.283 -35.330 1.00 23.42 H new ATOM 0 HD22 LEU A 22 35.749 -20.247 -33.834 1.00 23.42 H new ATOM 0 HD23 LEU A 22 36.142 -21.013 -35.392 1.00 23.42 H new ATOM 325 N TYR A 23 32.073 -22.704 -31.446 1.00 43.32 N ATOM 326 CA TYR A 23 31.062 -23.574 -30.857 1.00 51.42 C ATOM 327 C TYR A 23 29.670 -23.225 -31.378 1.00 52.05 C ATOM 328 O TYR A 23 29.469 -22.174 -31.987 1.00 44.45 O ATOM 329 CB TYR A 23 31.090 -23.464 -29.332 1.00 71.42 C ATOM 330 CG TYR A 23 32.473 -23.237 -28.767 1.00 21.25 C ATOM 331 CD1 TYR A 23 33.016 -21.960 -28.696 1.00 62.51 C ATOM 332 CD2 TYR A 23 33.240 -24.300 -28.304 1.00 51.00 C ATOM 333 CE1 TYR A 23 34.279 -21.747 -28.181 1.00 51.13 C ATOM 334 CE2 TYR A 23 34.503 -24.098 -27.787 1.00 34.51 C ATOM 335 CZ TYR A 23 35.020 -22.819 -27.727 1.00 4.34 C ATOM 336 OH TYR A 23 36.279 -22.612 -27.212 1.00 12.44 O ATOM 0 H TYR A 23 32.143 -21.784 -31.011 1.00 43.32 H new ATOM 0 HA TYR A 23 31.291 -24.600 -31.145 1.00 51.42 H new ATOM 0 HB2 TYR A 23 30.441 -22.644 -29.023 1.00 71.42 H new ATOM 0 HB3 TYR A 23 30.676 -24.377 -28.903 1.00 71.42 H new ATOM 0 HD1 TYR A 23 32.439 -21.118 -29.050 1.00 62.51 H new ATOM 0 HD2 TYR A 23 32.840 -25.302 -28.350 1.00 51.00 H new ATOM 0 HE1 TYR A 23 34.685 -20.747 -28.134 1.00 51.13 H new ATOM 0 HE2 TYR A 23 35.084 -24.936 -27.431 1.00 34.51 H new ATOM 0 HH TYR A 23 36.665 -23.470 -26.937 1.00 12.44 H new ATOM 346 N GLY A 24 28.713 -24.113 -31.132 1.00 64.13 N ATOM 347 CA GLY A 24 27.352 -23.880 -31.580 1.00 14.44 C ATOM 348 C GLY A 24 26.354 -23.895 -30.440 1.00 34.05 C ATOM 349 O GLY A 24 26.681 -23.515 -29.316 1.00 63.44 O ATOM 0 H GLY A 24 28.855 -24.990 -30.631 1.00 64.13 H new ATOM 0 HA2 GLY A 24 27.301 -22.918 -32.090 1.00 14.44 H new ATOM 0 HA3 GLY A 24 27.077 -24.643 -32.309 1.00 14.44 H new ATOM 353 N SER A 25 25.134 -24.332 -30.729 1.00 70.11 N ATOM 354 CA SER A 25 24.082 -24.389 -29.720 1.00 55.21 C ATOM 355 C SER A 25 24.391 -25.457 -28.675 1.00 1.13 C ATOM 356 O SER A 25 25.164 -26.383 -28.925 1.00 50.24 O ATOM 357 CB SER A 25 22.730 -24.675 -30.377 1.00 21.22 C ATOM 358 OG SER A 25 22.743 -25.924 -31.045 1.00 14.21 O ATOM 0 H SER A 25 24.848 -24.652 -31.654 1.00 70.11 H new ATOM 0 HA SER A 25 24.036 -23.421 -29.222 1.00 55.21 H new ATOM 0 HB2 SER A 25 21.946 -24.672 -29.620 1.00 21.22 H new ATOM 0 HB3 SER A 25 22.491 -23.882 -31.086 1.00 21.22 H new ATOM 0 HG SER A 25 21.868 -26.085 -31.455 1.00 14.21 H new ATOM 364 N CYS A 26 23.779 -25.323 -27.503 1.00 60.13 N ATOM 365 CA CYS A 26 23.985 -26.275 -26.419 1.00 0.41 C ATOM 366 C CYS A 26 22.821 -27.259 -26.329 1.00 60.52 C ATOM 367 O CYS A 26 21.657 -26.870 -26.424 1.00 52.12 O ATOM 368 CB CYS A 26 24.148 -25.537 -25.088 1.00 51.11 C ATOM 369 SG CYS A 26 25.813 -24.848 -24.819 1.00 4.01 S ATOM 0 H CYS A 26 23.136 -24.563 -27.280 1.00 60.13 H new ATOM 0 HA CYS A 26 24.896 -26.836 -26.630 1.00 0.41 H new ATOM 0 HB2 CYS A 26 23.420 -24.727 -25.042 1.00 51.11 H new ATOM 0 HB3 CYS A 26 23.914 -26.223 -24.274 1.00 51.11 H new ATOM 375 N VAL A 27 23.145 -28.534 -26.142 1.00 53.04 N ATOM 376 CA VAL A 27 22.128 -29.574 -26.038 1.00 71.35 C ATOM 377 C VAL A 27 22.024 -30.098 -24.610 1.00 41.50 C ATOM 378 O VAL A 27 22.960 -30.706 -24.092 1.00 24.15 O ATOM 379 CB VAL A 27 22.427 -30.750 -26.986 1.00 34.21 C ATOM 380 CG1 VAL A 27 21.260 -31.723 -27.014 1.00 43.01 C ATOM 381 CG2 VAL A 27 22.742 -30.239 -28.384 1.00 2.44 C ATOM 0 H VAL A 27 24.104 -28.872 -26.059 1.00 53.04 H new ATOM 0 HA VAL A 27 21.180 -29.120 -26.326 1.00 71.35 H new ATOM 0 HB VAL A 27 23.302 -31.282 -26.613 1.00 34.21 H new ATOM 0 HG11 VAL A 27 21.490 -32.547 -27.689 1.00 43.01 H new ATOM 0 HG12 VAL A 27 21.087 -32.113 -26.011 1.00 43.01 H new ATOM 0 HG13 VAL A 27 20.365 -31.208 -27.362 1.00 43.01 H new ATOM 0 HG21 VAL A 27 22.951 -31.083 -29.041 1.00 2.44 H new ATOM 0 HG22 VAL A 27 21.888 -29.682 -28.769 1.00 2.44 H new ATOM 0 HG23 VAL A 27 23.613 -29.585 -28.345 1.00 2.44 H new ATOM 391 N ALA A 28 20.879 -29.860 -23.980 1.00 4.11 N ATOM 392 CA ALA A 28 20.652 -30.312 -22.612 1.00 11.44 C ATOM 393 C ALA A 28 20.647 -31.834 -22.530 1.00 13.54 C ATOM 394 O ALA A 28 20.037 -32.507 -23.360 1.00 13.45 O ATOM 395 CB ALA A 28 19.341 -29.749 -22.082 1.00 71.24 C ATOM 0 H ALA A 28 20.094 -29.357 -24.394 1.00 4.11 H new ATOM 0 HA ALA A 28 21.470 -29.944 -21.993 1.00 11.44 H new ATOM 0 HB1 ALA A 28 19.184 -30.094 -21.060 1.00 71.24 H new ATOM 0 HB2 ALA A 28 19.381 -28.660 -22.095 1.00 71.24 H new ATOM 0 HB3 ALA A 28 18.518 -30.089 -22.711 1.00 71.24 H new ATOM 401 N ASN A 29 21.331 -32.370 -21.525 1.00 32.41 N ATOM 402 CA ASN A 29 21.406 -33.814 -21.336 1.00 0.34 C ATOM 403 C ASN A 29 20.031 -34.395 -21.027 1.00 45.32 C ATOM 404 O ASN A 29 19.671 -35.463 -21.521 1.00 13.02 O ATOM 405 CB ASN A 29 22.380 -34.151 -20.205 1.00 41.01 C ATOM 406 CG ASN A 29 23.076 -35.482 -20.419 1.00 31.30 C ATOM 407 OD1 ASN A 29 24.200 -35.533 -20.919 1.00 22.34 O ATOM 408 ND2 ASN A 29 22.410 -36.565 -20.040 1.00 0.25 N ATOM 0 H ASN A 29 21.841 -31.826 -20.829 1.00 32.41 H new ATOM 0 HA ASN A 29 21.768 -34.258 -22.263 1.00 0.34 H new ATOM 0 HB2 ASN A 29 23.128 -33.362 -20.126 1.00 41.01 H new ATOM 0 HB3 ASN A 29 21.840 -34.175 -19.259 1.00 41.01 H new ATOM 0 HD21 ASN A 29 22.828 -37.488 -20.159 1.00 0.25 H new ATOM 0 HD22 ASN A 29 21.480 -36.475 -19.630 1.00 0.25 H new ATOM 415 N ASN A 30 19.264 -33.684 -20.207 1.00 61.42 N ATOM 416 CA ASN A 30 17.926 -34.128 -19.831 1.00 74.20 C ATOM 417 C ASN A 30 17.072 -34.386 -21.069 1.00 40.03 C ATOM 418 O ASN A 30 16.792 -35.531 -21.416 1.00 3.11 O ATOM 419 CB ASN A 30 17.251 -33.085 -18.940 1.00 11.02 C ATOM 420 CG ASN A 30 17.717 -33.167 -17.499 1.00 10.22 C ATOM 421 OD1 ASN A 30 18.895 -32.969 -17.204 1.00 10.31 O ATOM 422 ND2 ASN A 30 16.790 -33.462 -16.594 1.00 24.51 N ATOM 0 H ASN A 30 19.546 -32.797 -19.790 1.00 61.42 H new ATOM 0 HA ASN A 30 18.022 -35.061 -19.276 1.00 74.20 H new ATOM 0 HB2 ASN A 30 17.459 -32.089 -19.330 1.00 11.02 H new ATOM 0 HB3 ASN A 30 16.170 -33.223 -18.978 1.00 11.02 H new ATOM 0 HD21 ASN A 30 17.043 -33.532 -15.608 1.00 24.51 H new ATOM 0 HD22 ASN A 30 15.825 -33.618 -16.885 1.00 24.51 H new ATOM 429 N GLY A 31 16.660 -33.309 -21.733 1.00 72.44 N ATOM 430 CA GLY A 31 15.843 -33.438 -22.924 1.00 41.22 C ATOM 431 C GLY A 31 15.354 -32.100 -23.441 1.00 41.12 C ATOM 432 O GLY A 31 15.543 -31.773 -24.612 1.00 55.41 O ATOM 0 H GLY A 31 16.878 -32.349 -21.466 1.00 72.44 H new ATOM 0 HA2 GLY A 31 16.419 -33.936 -23.704 1.00 41.22 H new ATOM 0 HA3 GLY A 31 14.986 -34.075 -22.705 1.00 41.22 H new ATOM 436 N ASP A 32 14.723 -31.324 -22.566 1.00 0.42 N ATOM 437 CA ASP A 32 14.204 -30.014 -22.940 1.00 43.35 C ATOM 438 C ASP A 32 15.268 -28.937 -22.759 1.00 74.41 C ATOM 439 O ASP A 32 15.739 -28.343 -23.731 1.00 35.34 O ATOM 440 CB ASP A 32 12.969 -29.673 -22.106 1.00 31.33 C ATOM 441 CG ASP A 32 12.031 -28.722 -22.823 1.00 44.24 C ATOM 442 OD1 ASP A 32 12.163 -28.576 -24.055 1.00 54.53 O ATOM 443 OD2 ASP A 32 11.163 -28.125 -22.150 1.00 1.35 O ATOM 0 H ASP A 32 14.559 -31.580 -21.592 1.00 0.42 H new ATOM 0 HA ASP A 32 13.923 -30.049 -23.993 1.00 43.35 H new ATOM 0 HB2 ASP A 32 12.434 -30.591 -21.862 1.00 31.33 H new ATOM 0 HB3 ASP A 32 13.283 -29.226 -21.163 1.00 31.33 H new ATOM 448 N CYS A 33 15.645 -28.688 -21.510 1.00 75.14 N ATOM 449 CA CYS A 33 16.654 -27.681 -21.201 1.00 64.21 C ATOM 450 C CYS A 33 17.342 -27.991 -19.874 1.00 74.20 C ATOM 451 O CYS A 33 16.743 -28.576 -18.973 1.00 61.22 O ATOM 452 CB CYS A 33 16.015 -26.291 -21.144 1.00 60.33 C ATOM 453 SG CYS A 33 15.007 -25.995 -19.657 1.00 5.44 S ATOM 0 H CYS A 33 15.267 -29.170 -20.694 1.00 75.14 H new ATOM 0 HA CYS A 33 17.404 -27.698 -21.992 1.00 64.21 H new ATOM 0 HB2 CYS A 33 16.803 -25.539 -21.191 1.00 60.33 H new ATOM 0 HB3 CYS A 33 15.390 -26.154 -22.026 1.00 60.33 H new ATOM 459 N GLY A 34 18.607 -27.593 -19.763 1.00 52.22 N ATOM 460 CA GLY A 34 19.357 -27.836 -18.545 1.00 5.22 C ATOM 461 C GLY A 34 20.808 -28.178 -18.816 1.00 34.52 C ATOM 462 O GLY A 34 21.278 -28.062 -19.948 1.00 64.21 O ATOM 0 H GLY A 34 19.125 -27.107 -20.495 1.00 52.22 H new ATOM 0 HA2 GLY A 34 19.308 -26.952 -17.909 1.00 5.22 H new ATOM 0 HA3 GLY A 34 18.892 -28.652 -17.992 1.00 5.22 H new ATOM 466 N GLN A 35 21.519 -28.599 -17.776 1.00 34.33 N ATOM 467 CA GLN A 35 22.927 -28.956 -17.908 1.00 34.24 C ATOM 468 C GLN A 35 23.135 -29.931 -19.062 1.00 73.43 C ATOM 469 O GLN A 35 22.562 -31.020 -19.080 1.00 60.51 O ATOM 470 CB GLN A 35 23.444 -29.571 -16.606 1.00 61.40 C ATOM 471 CG GLN A 35 24.544 -28.756 -15.943 1.00 2.04 C ATOM 472 CD GLN A 35 25.917 -29.067 -16.505 1.00 60.45 C ATOM 473 OE1 GLN A 35 26.109 -30.073 -17.189 1.00 15.14 O ATOM 474 NE2 GLN A 35 26.884 -28.202 -16.219 1.00 63.33 N ATOM 0 H GLN A 35 21.144 -28.701 -16.833 1.00 34.33 H new ATOM 0 HA GLN A 35 23.488 -28.046 -18.119 1.00 34.24 H new ATOM 0 HB2 GLN A 35 22.613 -29.678 -15.909 1.00 61.40 H new ATOM 0 HB3 GLN A 35 23.819 -30.574 -16.811 1.00 61.40 H new ATOM 0 HG2 GLN A 35 24.334 -27.694 -16.073 1.00 2.04 H new ATOM 0 HG3 GLN A 35 24.541 -28.952 -14.871 1.00 2.04 H new ATOM 0 HE21 GLN A 35 26.682 -27.381 -15.649 1.00 63.33 H new ATOM 0 HE22 GLN A 35 27.829 -28.359 -16.570 1.00 63.33 H new ATOM 483 N GLY A 36 23.961 -29.531 -20.025 1.00 12.43 N ATOM 484 CA GLY A 36 24.229 -30.383 -21.171 1.00 33.33 C ATOM 485 C GLY A 36 25.683 -30.337 -21.598 1.00 73.14 C ATOM 486 O GLY A 36 26.584 -30.400 -20.762 1.00 73.51 O ATOM 0 H GLY A 36 24.448 -28.635 -20.033 1.00 12.43 H new ATOM 0 HA2 GLY A 36 23.957 -31.410 -20.928 1.00 33.33 H new ATOM 0 HA3 GLY A 36 23.598 -30.075 -22.005 1.00 33.33 H new ATOM 490 N MET A 37 25.913 -30.229 -22.902 1.00 62.14 N ATOM 491 CA MET A 37 27.267 -30.176 -23.438 1.00 41.31 C ATOM 492 C MET A 37 27.279 -29.547 -24.827 1.00 61.22 C ATOM 493 O MET A 37 26.234 -29.402 -25.462 1.00 63.01 O ATOM 494 CB MET A 37 27.869 -31.582 -23.498 1.00 73.42 C ATOM 495 CG MET A 37 27.183 -32.495 -24.498 1.00 24.04 C ATOM 496 SD MET A 37 28.149 -33.972 -24.868 1.00 64.02 S ATOM 497 CE MET A 37 29.254 -33.348 -26.130 1.00 34.20 C ATOM 0 H MET A 37 25.178 -30.176 -23.607 1.00 62.14 H new ATOM 0 HA MET A 37 27.870 -29.557 -22.773 1.00 41.31 H new ATOM 0 HB2 MET A 37 28.926 -31.505 -23.754 1.00 73.42 H new ATOM 0 HB3 MET A 37 27.813 -32.034 -22.508 1.00 73.42 H new ATOM 0 HG2 MET A 37 26.210 -32.791 -24.106 1.00 24.04 H new ATOM 0 HG3 MET A 37 27.001 -31.944 -25.421 1.00 24.04 H new ATOM 0 HE1 MET A 37 29.917 -34.148 -26.461 1.00 34.20 H new ATOM 0 HE2 MET A 37 28.671 -32.985 -26.977 1.00 34.20 H new ATOM 0 HE3 MET A 37 29.848 -32.530 -25.722 1.00 34.20 H new ATOM 507 N ARG A 38 28.466 -29.173 -25.294 1.00 65.32 N ATOM 508 CA ARG A 38 28.612 -28.557 -26.606 1.00 52.32 C ATOM 509 C ARG A 38 29.931 -28.967 -27.255 1.00 53.42 C ATOM 510 O ARG A 38 30.923 -29.207 -26.568 1.00 4.25 O ATOM 511 CB ARG A 38 28.540 -27.034 -26.490 1.00 72.33 C ATOM 512 CG ARG A 38 28.947 -26.305 -27.760 1.00 1.44 C ATOM 513 CD ARG A 38 27.959 -26.557 -28.887 1.00 13.22 C ATOM 514 NE ARG A 38 28.631 -26.836 -30.154 1.00 41.33 N ATOM 515 CZ ARG A 38 27.995 -27.212 -31.258 1.00 61.24 C ATOM 516 NH1 ARG A 38 26.677 -27.352 -31.250 1.00 41.32 N ATOM 517 NH2 ARG A 38 28.677 -27.447 -32.371 1.00 24.20 N ATOM 0 H ARG A 38 29.341 -29.286 -24.782 1.00 65.32 H new ATOM 0 HA ARG A 38 27.793 -28.905 -27.236 1.00 52.32 H new ATOM 0 HB2 ARG A 38 27.522 -26.746 -26.227 1.00 72.33 H new ATOM 0 HB3 ARG A 38 29.185 -26.710 -25.673 1.00 72.33 H new ATOM 0 HG2 ARG A 38 29.010 -25.235 -27.562 1.00 1.44 H new ATOM 0 HG3 ARG A 38 29.941 -26.632 -28.066 1.00 1.44 H new ATOM 0 HD2 ARG A 38 27.317 -27.398 -28.625 1.00 13.22 H new ATOM 0 HD3 ARG A 38 27.313 -25.687 -29.004 1.00 13.22 H new ATOM 0 HE ARG A 38 29.645 -26.736 -30.193 1.00 41.33 H new ATOM 0 HH11 ARG A 38 26.150 -27.171 -30.396 1.00 41.32 H new ATOM 0 HH12 ARG A 38 26.190 -27.641 -32.098 1.00 41.32 H new ATOM 0 HH21 ARG A 38 29.691 -27.339 -32.380 1.00 24.20 H new ATOM 0 HH22 ARG A 38 28.187 -27.736 -33.218 1.00 24.20 H new ATOM 531 N GLU A 39 29.934 -29.042 -28.582 1.00 3.12 N ATOM 532 CA GLU A 39 31.130 -29.424 -29.323 1.00 44.11 C ATOM 533 C GLU A 39 31.702 -28.233 -30.086 1.00 65.25 C ATOM 534 O GLU A 39 31.067 -27.701 -30.995 1.00 43.51 O ATOM 535 CB GLU A 39 30.814 -30.561 -30.297 1.00 62.11 C ATOM 536 CG GLU A 39 31.235 -31.931 -29.790 1.00 73.53 C ATOM 537 CD GLU A 39 32.281 -32.583 -30.673 1.00 24.31 C ATOM 538 OE1 GLU A 39 31.895 -33.296 -31.624 1.00 71.40 O ATOM 539 OE2 GLU A 39 33.485 -32.380 -30.414 1.00 21.03 O ATOM 0 H GLU A 39 29.122 -28.843 -29.166 1.00 3.12 H new ATOM 0 HA GLU A 39 31.875 -29.766 -28.605 1.00 44.11 H new ATOM 0 HB2 GLU A 39 29.742 -30.570 -30.496 1.00 62.11 H new ATOM 0 HB3 GLU A 39 31.313 -30.365 -31.246 1.00 62.11 H new ATOM 0 HG2 GLU A 39 31.628 -31.835 -28.778 1.00 73.53 H new ATOM 0 HG3 GLU A 39 30.360 -32.578 -29.732 1.00 73.53 H new ATOM 546 N GLY A 40 32.906 -27.816 -29.705 1.00 35.20 N ATOM 547 CA GLY A 40 33.544 -26.689 -30.362 1.00 14.42 C ATOM 548 C GLY A 40 34.277 -27.094 -31.626 1.00 43.00 C ATOM 549 O GLY A 40 35.376 -27.648 -31.565 1.00 4.02 O ATOM 0 H GLY A 40 33.451 -28.238 -28.953 1.00 35.20 H new ATOM 0 HA2 GLY A 40 32.790 -25.941 -30.607 1.00 14.42 H new ATOM 0 HA3 GLY A 40 34.246 -26.220 -29.673 1.00 14.42 H new ATOM 553 N THR A 41 33.670 -26.820 -32.775 1.00 2.10 N ATOM 554 CA THR A 41 34.270 -27.161 -34.058 1.00 2.20 C ATOM 555 C THR A 41 34.885 -25.934 -34.721 1.00 70.12 C ATOM 556 O THR A 41 34.206 -24.932 -34.948 1.00 33.43 O ATOM 557 CB THR A 41 33.236 -27.785 -35.015 1.00 62.34 C ATOM 558 OG1 THR A 41 32.518 -26.751 -35.701 1.00 63.13 O ATOM 559 CG2 THR A 41 32.259 -28.669 -34.256 1.00 30.32 C ATOM 0 H THR A 41 32.761 -26.362 -32.844 1.00 2.10 H new ATOM 0 HA THR A 41 35.053 -27.892 -33.856 1.00 2.20 H new ATOM 0 HB THR A 41 33.769 -28.400 -35.740 1.00 62.34 H new ATOM 0 HG1 THR A 41 32.715 -25.885 -35.286 1.00 63.13 H new ATOM 0 HG21 THR A 41 31.539 -29.098 -34.953 1.00 30.32 H new ATOM 0 HG22 THR A 41 32.805 -29.471 -33.759 1.00 30.32 H new ATOM 0 HG23 THR A 41 31.732 -28.073 -33.511 1.00 30.32 H new ATOM 567 N CYS A 42 36.174 -26.018 -35.032 1.00 64.42 N ATOM 568 CA CYS A 42 36.881 -24.914 -35.670 1.00 24.33 C ATOM 569 C CYS A 42 37.497 -25.356 -36.994 1.00 1.22 C ATOM 570 O CYS A 42 38.425 -26.164 -37.021 1.00 60.43 O ATOM 571 CB CYS A 42 37.973 -24.376 -34.741 1.00 53.51 C ATOM 572 SG CYS A 42 39.142 -23.237 -35.551 1.00 30.10 S ATOM 0 H CYS A 42 36.751 -26.840 -34.852 1.00 64.42 H new ATOM 0 HA CYS A 42 36.161 -24.121 -35.871 1.00 24.33 H new ATOM 0 HB2 CYS A 42 37.502 -23.861 -33.904 1.00 53.51 H new ATOM 0 HB3 CYS A 42 38.529 -25.217 -34.326 1.00 53.51 H new ATOM 0 HG CYS A 42 39.024 -22.052 -35.030 1.00 30.10 H new ATOM 578 N ASN A 43 36.973 -24.820 -38.091 1.00 52.22 N ATOM 579 CA ASN A 43 37.470 -25.158 -39.420 1.00 60.12 C ATOM 580 C ASN A 43 37.244 -26.636 -39.725 1.00 40.44 C ATOM 581 O ASN A 43 36.241 -27.006 -40.336 1.00 20.20 O ATOM 582 CB ASN A 43 38.960 -24.826 -39.530 1.00 12.14 C ATOM 583 CG ASN A 43 39.206 -23.483 -40.189 1.00 24.53 C ATOM 584 OD1 ASN A 43 39.011 -22.433 -39.575 1.00 1.23 O ATOM 585 ND2 ASN A 43 39.636 -23.509 -41.444 1.00 0.53 N ATOM 0 H ASN A 43 36.204 -24.150 -38.086 1.00 52.22 H new ATOM 0 HA ASN A 43 36.917 -24.565 -40.149 1.00 60.12 H new ATOM 0 HB2 ASN A 43 39.404 -24.826 -38.534 1.00 12.14 H new ATOM 0 HB3 ASN A 43 39.462 -25.606 -40.103 1.00 12.14 H new ATOM 0 HD21 ASN A 43 39.819 -22.636 -41.939 1.00 0.53 H new ATOM 0 HD22 ASN A 43 39.784 -24.402 -41.914 1.00 0.53 H new ATOM 592 N GLU A 44 38.181 -27.474 -39.297 1.00 20.45 N ATOM 593 CA GLU A 44 38.083 -28.911 -39.524 1.00 12.52 C ATOM 594 C GLU A 44 38.466 -29.689 -38.269 1.00 34.22 C ATOM 595 O GLU A 44 38.895 -30.840 -38.348 1.00 70.51 O ATOM 596 CB GLU A 44 38.983 -29.328 -40.690 1.00 54.45 C ATOM 597 CG GLU A 44 38.473 -30.540 -41.451 1.00 51.24 C ATOM 598 CD GLU A 44 39.449 -31.020 -42.508 1.00 51.03 C ATOM 599 OE1 GLU A 44 40.471 -30.337 -42.724 1.00 13.53 O ATOM 600 OE2 GLU A 44 39.189 -32.079 -43.117 1.00 60.05 O ATOM 0 H GLU A 44 39.017 -27.183 -38.791 1.00 20.45 H new ATOM 0 HA GLU A 44 37.047 -29.143 -39.772 1.00 12.52 H new ATOM 0 HB2 GLU A 44 39.079 -28.490 -41.381 1.00 54.45 H new ATOM 0 HB3 GLU A 44 39.981 -29.543 -40.308 1.00 54.45 H new ATOM 0 HG2 GLU A 44 38.278 -31.350 -40.748 1.00 51.24 H new ATOM 0 HG3 GLU A 44 37.523 -30.293 -41.925 1.00 51.24 H new ATOM 607 N GLN A 45 38.307 -29.052 -37.115 1.00 60.11 N ATOM 608 CA GLN A 45 38.637 -29.682 -35.842 1.00 1.31 C ATOM 609 C GLN A 45 37.422 -29.720 -34.921 1.00 52.20 C ATOM 610 O GLN A 45 36.418 -29.052 -35.172 1.00 62.42 O ATOM 611 CB GLN A 45 39.785 -28.937 -35.160 1.00 52.11 C ATOM 612 CG GLN A 45 40.966 -28.667 -36.079 1.00 13.35 C ATOM 613 CD GLN A 45 42.039 -27.822 -35.421 1.00 44.11 C ATOM 614 OE1 GLN A 45 41.972 -27.538 -34.224 1.00 13.41 O ATOM 615 NE2 GLN A 45 43.033 -27.414 -36.199 1.00 23.05 N ATOM 0 H GLN A 45 37.952 -28.099 -37.034 1.00 60.11 H new ATOM 0 HA GLN A 45 38.949 -30.707 -36.045 1.00 1.31 H new ATOM 0 HB2 GLN A 45 39.412 -27.989 -34.773 1.00 52.11 H new ATOM 0 HB3 GLN A 45 40.127 -29.519 -34.304 1.00 52.11 H new ATOM 0 HG2 GLN A 45 41.400 -29.616 -36.395 1.00 13.35 H new ATOM 0 HG3 GLN A 45 40.613 -28.163 -36.979 1.00 13.35 H new ATOM 0 HE21 GLN A 45 43.048 -27.673 -37.185 1.00 23.05 H new ATOM 0 HE22 GLN A 45 43.782 -26.841 -35.811 1.00 23.05 H new ATOM 624 N THR A 46 37.518 -30.506 -33.854 1.00 24.14 N ATOM 625 CA THR A 46 36.427 -30.632 -32.895 1.00 12.32 C ATOM 626 C THR A 46 36.905 -30.347 -31.477 1.00 43.45 C ATOM 627 O THR A 46 38.102 -30.388 -31.195 1.00 24.33 O ATOM 628 CB THR A 46 35.799 -32.039 -32.940 1.00 55.05 C ATOM 629 OG1 THR A 46 36.808 -33.016 -33.220 1.00 32.14 O ATOM 630 CG2 THR A 46 34.709 -32.111 -33.998 1.00 34.12 C ATOM 0 H THR A 46 38.341 -31.066 -33.632 1.00 24.14 H new ATOM 0 HA THR A 46 35.673 -29.896 -33.176 1.00 12.32 H new ATOM 0 HB THR A 46 35.353 -32.246 -31.967 1.00 55.05 H new ATOM 0 HG1 THR A 46 36.402 -33.908 -33.245 1.00 32.14 H new ATOM 0 HG21 THR A 46 34.281 -33.113 -34.011 1.00 34.12 H new ATOM 0 HG22 THR A 46 33.929 -31.386 -33.767 1.00 34.12 H new ATOM 0 HG23 THR A 46 35.135 -31.886 -34.976 1.00 34.12 H new ATOM 638 N ARG A 47 35.961 -30.055 -30.587 1.00 33.03 N ATOM 639 CA ARG A 47 36.286 -29.762 -29.196 1.00 34.50 C ATOM 640 C ARG A 47 35.176 -30.239 -28.266 1.00 13.31 C ATOM 641 O ARG A 47 34.042 -30.452 -28.693 1.00 2.54 O ATOM 642 CB ARG A 47 36.513 -28.260 -29.010 1.00 20.45 C ATOM 643 CG ARG A 47 37.083 -27.895 -27.648 1.00 12.44 C ATOM 644 CD ARG A 47 38.389 -28.624 -27.377 1.00 1.13 C ATOM 645 NE ARG A 47 39.382 -27.753 -26.755 1.00 30.33 N ATOM 646 CZ ARG A 47 40.656 -28.093 -26.586 1.00 3.04 C ATOM 647 NH1 ARG A 47 41.088 -29.280 -26.990 1.00 4.12 N ATOM 648 NH2 ARG A 47 41.500 -27.247 -26.010 1.00 51.34 N ATOM 0 H ARG A 47 34.965 -30.015 -30.805 1.00 33.03 H new ATOM 0 HA ARG A 47 37.202 -30.296 -28.942 1.00 34.50 H new ATOM 0 HB2 ARG A 47 37.191 -27.905 -29.786 1.00 20.45 H new ATOM 0 HB3 ARG A 47 35.567 -27.738 -29.150 1.00 20.45 H new ATOM 0 HG2 ARG A 47 37.249 -26.819 -27.598 1.00 12.44 H new ATOM 0 HG3 ARG A 47 36.359 -28.142 -26.871 1.00 12.44 H new ATOM 0 HD2 ARG A 47 38.199 -29.479 -26.728 1.00 1.13 H new ATOM 0 HD3 ARG A 47 38.786 -29.016 -28.313 1.00 1.13 H new ATOM 0 HE ARG A 47 39.082 -26.833 -26.432 1.00 30.33 H new ATOM 0 HH11 ARG A 47 40.442 -29.935 -27.432 1.00 4.12 H new ATOM 0 HH12 ARG A 47 42.066 -29.538 -26.859 1.00 4.12 H new ATOM 0 HH21 ARG A 47 41.172 -26.334 -25.696 1.00 51.34 H new ATOM 0 HH22 ARG A 47 42.477 -27.510 -25.881 1.00 51.34 H new ATOM 662 N LYS A 48 35.511 -30.405 -26.990 1.00 54.13 N ATOM 663 CA LYS A 48 34.542 -30.856 -25.997 1.00 75.03 C ATOM 664 C LYS A 48 34.452 -29.870 -24.837 1.00 10.44 C ATOM 665 O LYS A 48 35.467 -29.475 -24.265 1.00 33.44 O ATOM 666 CB LYS A 48 34.927 -32.241 -25.474 1.00 45.41 C ATOM 667 CG LYS A 48 34.815 -33.340 -26.519 1.00 72.52 C ATOM 668 CD LYS A 48 35.292 -34.676 -25.975 1.00 1.05 C ATOM 669 CE LYS A 48 35.162 -35.778 -27.016 1.00 12.13 C ATOM 670 NZ LYS A 48 33.805 -36.388 -27.013 1.00 61.53 N ATOM 0 H LYS A 48 36.446 -30.234 -26.620 1.00 54.13 H new ATOM 0 HA LYS A 48 33.565 -30.913 -26.478 1.00 75.03 H new ATOM 0 HB2 LYS A 48 35.951 -32.208 -25.102 1.00 45.41 H new ATOM 0 HB3 LYS A 48 34.288 -32.491 -24.627 1.00 45.41 H new ATOM 0 HG2 LYS A 48 33.779 -33.428 -26.846 1.00 72.52 H new ATOM 0 HG3 LYS A 48 35.404 -33.071 -27.396 1.00 72.52 H new ATOM 0 HD2 LYS A 48 36.332 -34.592 -25.660 1.00 1.05 H new ATOM 0 HD3 LYS A 48 34.711 -34.939 -25.091 1.00 1.05 H new ATOM 0 HE2 LYS A 48 35.374 -35.370 -28.004 1.00 12.13 H new ATOM 0 HE3 LYS A 48 35.907 -36.550 -26.823 1.00 12.13 H new ATOM 0 HZ1 LYS A 48 33.758 -37.134 -27.736 1.00 61.53 H new ATOM 0 HZ2 LYS A 48 33.612 -36.800 -26.078 1.00 61.53 H new ATOM 0 HZ3 LYS A 48 33.095 -35.657 -27.223 1.00 61.53 H new ATOM 684 N VAL A 49 33.230 -29.475 -24.495 1.00 40.33 N ATOM 685 CA VAL A 49 33.007 -28.536 -23.403 1.00 3.31 C ATOM 686 C VAL A 49 31.636 -28.745 -22.770 1.00 64.20 C ATOM 687 O VAL A 49 30.665 -29.060 -23.457 1.00 41.22 O ATOM 688 CB VAL A 49 33.122 -27.077 -23.884 1.00 25.10 C ATOM 689 CG1 VAL A 49 34.576 -26.716 -24.148 1.00 12.44 C ATOM 690 CG2 VAL A 49 32.274 -26.858 -25.127 1.00 22.45 C ATOM 0 H VAL A 49 32.379 -29.791 -24.959 1.00 40.33 H new ATOM 0 HA VAL A 49 33.780 -28.727 -22.659 1.00 3.31 H new ATOM 0 HB VAL A 49 32.747 -26.422 -23.098 1.00 25.10 H new ATOM 0 HG11 VAL A 49 34.638 -25.682 -24.487 1.00 12.44 H new ATOM 0 HG12 VAL A 49 35.152 -26.832 -23.230 1.00 12.44 H new ATOM 0 HG13 VAL A 49 34.981 -27.375 -24.916 1.00 12.44 H new ATOM 0 HG21 VAL A 49 32.367 -25.822 -25.453 1.00 22.45 H new ATOM 0 HG22 VAL A 49 32.616 -27.521 -25.922 1.00 22.45 H new ATOM 0 HG23 VAL A 49 31.230 -27.074 -24.898 1.00 22.45 H new ATOM 700 N LYS A 50 31.564 -28.566 -21.456 1.00 23.10 N ATOM 701 CA LYS A 50 30.312 -28.732 -20.728 1.00 25.20 C ATOM 702 C LYS A 50 29.583 -27.399 -20.585 1.00 21.22 C ATOM 703 O LYS A 50 30.139 -26.430 -20.064 1.00 1.01 O ATOM 704 CB LYS A 50 30.577 -29.332 -19.345 1.00 0.10 C ATOM 705 CG LYS A 50 31.037 -30.779 -19.388 1.00 12.12 C ATOM 706 CD LYS A 50 29.899 -31.736 -19.075 1.00 15.04 C ATOM 707 CE LYS A 50 30.197 -33.140 -19.579 1.00 14.43 C ATOM 708 NZ LYS A 50 31.529 -33.622 -19.122 1.00 11.22 N ATOM 0 H LYS A 50 32.359 -28.306 -20.873 1.00 23.10 H new ATOM 0 HA LYS A 50 29.679 -29.412 -21.297 1.00 25.20 H new ATOM 0 HB2 LYS A 50 31.334 -28.734 -18.838 1.00 0.10 H new ATOM 0 HB3 LYS A 50 29.667 -29.266 -18.749 1.00 0.10 H new ATOM 0 HG2 LYS A 50 31.442 -31.004 -20.375 1.00 12.12 H new ATOM 0 HG3 LYS A 50 31.845 -30.926 -18.671 1.00 12.12 H new ATOM 0 HD2 LYS A 50 29.730 -31.763 -17.998 1.00 15.04 H new ATOM 0 HD3 LYS A 50 28.979 -31.372 -19.533 1.00 15.04 H new ATOM 0 HE2 LYS A 50 29.424 -33.823 -19.228 1.00 14.43 H new ATOM 0 HE3 LYS A 50 30.161 -33.150 -20.668 1.00 14.43 H new ATOM 0 HZ1 LYS A 50 31.625 -34.635 -19.339 1.00 11.22 H new ATOM 0 HZ2 LYS A 50 32.277 -33.090 -19.611 1.00 11.22 H new ATOM 0 HZ3 LYS A 50 31.617 -33.478 -18.096 1.00 11.22 H new ATOM 722 N CYS A 51 28.340 -27.355 -21.048 1.00 2.04 N ATOM 723 CA CYS A 51 27.536 -26.142 -20.971 1.00 24.11 C ATOM 724 C CYS A 51 26.091 -26.469 -20.605 1.00 64.12 C ATOM 725 O CYS A 51 25.569 -27.521 -20.973 1.00 14.43 O ATOM 726 CB CYS A 51 27.578 -25.391 -22.303 1.00 12.43 C ATOM 727 SG CYS A 51 26.673 -26.218 -23.650 1.00 53.52 S ATOM 0 H CYS A 51 27.866 -28.147 -21.482 1.00 2.04 H new ATOM 0 HA CYS A 51 27.956 -25.508 -20.190 1.00 24.11 H new ATOM 0 HB2 CYS A 51 27.163 -24.394 -22.159 1.00 12.43 H new ATOM 0 HB3 CYS A 51 28.618 -25.263 -22.603 1.00 12.43 H new ATOM 733 N ARG A 52 25.450 -25.560 -19.877 1.00 60.23 N ATOM 734 CA ARG A 52 24.067 -25.751 -19.459 1.00 11.21 C ATOM 735 C ARG A 52 23.125 -24.877 -20.282 1.00 3.13 C ATOM 736 O ARG A 52 23.461 -23.749 -20.639 1.00 72.24 O ATOM 737 CB ARG A 52 23.911 -25.428 -17.972 1.00 0.42 C ATOM 738 CG ARG A 52 23.673 -23.954 -17.691 1.00 32.23 C ATOM 739 CD ARG A 52 24.892 -23.116 -18.046 1.00 25.34 C ATOM 740 NE ARG A 52 25.035 -21.959 -17.166 1.00 61.34 N ATOM 741 CZ ARG A 52 25.364 -22.047 -15.883 1.00 44.32 C ATOM 742 NH1 ARG A 52 25.583 -23.232 -15.330 1.00 14.34 N ATOM 743 NH2 ARG A 52 25.474 -20.948 -15.148 1.00 61.23 N ATOM 0 H ARG A 52 25.867 -24.683 -19.564 1.00 60.23 H new ATOM 0 HA ARG A 52 23.805 -26.796 -19.626 1.00 11.21 H new ATOM 0 HB2 ARG A 52 23.079 -26.005 -17.569 1.00 0.42 H new ATOM 0 HB3 ARG A 52 24.808 -25.750 -17.443 1.00 0.42 H new ATOM 0 HG2 ARG A 52 22.813 -23.608 -18.263 1.00 32.23 H new ATOM 0 HG3 ARG A 52 23.431 -23.818 -16.637 1.00 32.23 H new ATOM 0 HD2 ARG A 52 25.788 -23.734 -17.982 1.00 25.34 H new ATOM 0 HD3 ARG A 52 24.811 -22.778 -19.079 1.00 25.34 H new ATOM 0 HE ARG A 52 24.873 -21.032 -17.559 1.00 61.34 H new ATOM 0 HH11 ARG A 52 25.499 -24.080 -15.891 1.00 14.34 H new ATOM 0 HH12 ARG A 52 25.836 -23.296 -14.344 1.00 14.34 H new ATOM 0 HH21 ARG A 52 25.306 -20.034 -15.569 1.00 61.23 H new ATOM 0 HH22 ARG A 52 25.727 -21.017 -14.162 1.00 61.23 H new ATOM 757 N VAL A 53 21.944 -25.408 -20.581 1.00 44.33 N ATOM 758 CA VAL A 53 20.951 -24.675 -21.361 1.00 21.24 C ATOM 759 C VAL A 53 19.792 -24.217 -20.484 1.00 11.41 C ATOM 760 O VAL A 53 18.809 -24.931 -20.289 1.00 3.32 O ATOM 761 CB VAL A 53 20.400 -25.535 -22.514 1.00 75.32 C ATOM 762 CG1 VAL A 53 19.518 -24.698 -23.428 1.00 13.51 C ATOM 763 CG2 VAL A 53 21.539 -26.171 -23.296 1.00 24.44 C ATOM 0 H VAL A 53 21.651 -26.342 -20.296 1.00 44.33 H new ATOM 0 HA VAL A 53 21.455 -23.802 -21.776 1.00 21.24 H new ATOM 0 HB VAL A 53 19.791 -26.333 -22.090 1.00 75.32 H new ATOM 0 HG11 VAL A 53 19.137 -25.321 -24.237 1.00 13.51 H new ATOM 0 HG12 VAL A 53 18.682 -24.294 -22.857 1.00 13.51 H new ATOM 0 HG13 VAL A 53 20.102 -23.878 -23.846 1.00 13.51 H new ATOM 0 HG21 VAL A 53 21.131 -26.775 -24.107 1.00 24.44 H new ATOM 0 HG22 VAL A 53 22.176 -25.390 -23.711 1.00 24.44 H new ATOM 0 HG23 VAL A 53 22.127 -26.805 -22.632 1.00 24.44 H new ATOM 773 N PRO A 54 19.907 -22.994 -19.943 1.00 24.34 N ATOM 774 CA PRO A 54 18.878 -22.412 -19.078 1.00 52.44 C ATOM 775 C PRO A 54 17.608 -22.059 -19.845 1.00 52.24 C ATOM 776 O PRO A 54 17.669 -21.536 -20.960 1.00 13.20 O ATOM 777 CB PRO A 54 19.544 -21.145 -18.537 1.00 31.42 C ATOM 778 CG PRO A 54 20.564 -20.786 -19.560 1.00 32.33 C ATOM 779 CD PRO A 54 21.052 -22.089 -20.133 1.00 52.02 C ATOM 0 HA PRO A 54 18.558 -23.107 -18.302 1.00 52.44 H new ATOM 0 HB2 PRO A 54 18.818 -20.343 -18.403 1.00 31.42 H new ATOM 0 HB3 PRO A 54 20.004 -21.324 -17.565 1.00 31.42 H new ATOM 0 HG2 PRO A 54 20.132 -20.155 -20.337 1.00 32.33 H new ATOM 0 HG3 PRO A 54 21.384 -20.225 -19.113 1.00 32.33 H new ATOM 0 HD2 PRO A 54 21.317 -21.991 -21.186 1.00 52.02 H new ATOM 0 HD3 PRO A 54 21.940 -22.449 -19.613 1.00 52.02 H new ATOM 787 N CYS A 55 16.459 -22.346 -19.244 1.00 72.41 N ATOM 788 CA CYS A 55 15.175 -22.059 -19.871 1.00 44.50 C ATOM 789 C CYS A 55 14.762 -20.610 -19.627 1.00 61.21 C ATOM 790 O CYS A 55 15.060 -20.037 -18.580 1.00 71.21 O ATOM 791 CB CYS A 55 14.099 -23.004 -19.333 1.00 43.33 C ATOM 792 SG CYS A 55 13.781 -24.449 -20.395 1.00 11.35 S ATOM 0 H CYS A 55 16.391 -22.778 -18.322 1.00 72.41 H new ATOM 0 HA CYS A 55 15.281 -22.213 -20.945 1.00 44.50 H new ATOM 0 HB2 CYS A 55 14.397 -23.352 -18.344 1.00 43.33 H new ATOM 0 HB3 CYS A 55 13.171 -22.447 -19.208 1.00 43.33 H new ATOM 798 N ASN A 56 14.074 -20.025 -20.601 1.00 51.45 N ATOM 799 CA ASN A 56 13.620 -18.643 -20.494 1.00 70.43 C ATOM 800 C ASN A 56 14.806 -17.685 -20.414 1.00 15.51 C ATOM 801 O ASN A 56 14.947 -16.934 -19.450 1.00 1.34 O ATOM 802 CB ASN A 56 12.729 -18.471 -19.262 1.00 11.50 C ATOM 803 CG ASN A 56 11.848 -19.680 -19.014 1.00 50.24 C ATOM 804 OD1 ASN A 56 11.308 -20.272 -19.950 1.00 71.44 O ATOM 805 ND2 ASN A 56 11.696 -20.052 -17.748 1.00 33.41 N ATOM 0 H ASN A 56 13.818 -20.486 -21.474 1.00 51.45 H new ATOM 0 HA ASN A 56 13.043 -18.406 -21.388 1.00 70.43 H new ATOM 0 HB2 ASN A 56 13.354 -18.294 -18.387 1.00 11.50 H new ATOM 0 HB3 ASN A 56 12.103 -17.588 -19.390 1.00 11.50 H new ATOM 0 HD21 ASN A 56 11.113 -20.857 -17.520 1.00 33.41 H new ATOM 0 HD22 ASN A 56 12.162 -19.532 -17.004 1.00 33.41 H new ATOM 944 N CYS A 65 14.411 -3.317 -9.171 1.00 1.01 N ATOM 945 CA CYS A 65 14.501 -2.716 -10.496 1.00 62.32 C ATOM 946 C CYS A 65 15.715 -3.245 -11.253 1.00 23.11 C ATOM 947 O CYS A 65 16.641 -3.796 -10.656 1.00 11.15 O ATOM 948 CB CYS A 65 14.582 -1.192 -10.382 1.00 15.03 C ATOM 949 SG CYS A 65 15.880 -0.599 -9.249 1.00 11.42 S ATOM 0 HA CYS A 65 13.603 -2.986 -11.052 1.00 62.32 H new ATOM 0 HB2 CYS A 65 14.760 -0.773 -11.372 1.00 15.03 H new ATOM 0 HB3 CYS A 65 13.618 -0.812 -10.044 1.00 15.03 H new ATOM 955 N LYS A 66 15.704 -3.076 -12.570 1.00 21.13 N ATOM 956 CA LYS A 66 16.804 -3.535 -13.411 1.00 4.15 C ATOM 957 C LYS A 66 17.983 -2.570 -13.338 1.00 32.45 C ATOM 958 O LYS A 66 17.801 -1.364 -13.169 1.00 1.13 O ATOM 959 CB LYS A 66 16.338 -3.682 -14.860 1.00 15.43 C ATOM 960 CG LYS A 66 16.678 -5.029 -15.476 1.00 12.41 C ATOM 961 CD LYS A 66 15.705 -5.397 -16.583 1.00 1.14 C ATOM 962 CE LYS A 66 16.432 -5.901 -17.820 1.00 71.45 C ATOM 963 NZ LYS A 66 15.865 -7.185 -18.313 1.00 13.34 N ATOM 0 H LYS A 66 14.945 -2.624 -13.079 1.00 21.13 H new ATOM 0 HA LYS A 66 17.131 -4.507 -13.042 1.00 4.15 H new ATOM 0 HB2 LYS A 66 15.259 -3.535 -14.902 1.00 15.43 H new ATOM 0 HB3 LYS A 66 16.791 -2.893 -15.460 1.00 15.43 H new ATOM 0 HG2 LYS A 66 17.692 -5.002 -15.875 1.00 12.41 H new ATOM 0 HG3 LYS A 66 16.660 -5.798 -14.704 1.00 12.41 H new ATOM 0 HD2 LYS A 66 15.019 -6.165 -16.225 1.00 1.14 H new ATOM 0 HD3 LYS A 66 15.102 -4.527 -16.843 1.00 1.14 H new ATOM 0 HE2 LYS A 66 16.370 -5.151 -18.608 1.00 71.45 H new ATOM 0 HE3 LYS A 66 17.489 -6.036 -17.590 1.00 71.45 H new ATOM 0 HZ1 LYS A 66 16.388 -7.494 -19.157 1.00 13.34 H new ATOM 0 HZ2 LYS A 66 15.947 -7.908 -17.570 1.00 13.34 H new ATOM 0 HZ3 LYS A 66 14.863 -7.051 -18.557 1.00 13.34 H new ATOM 977 N TYR A 67 19.191 -3.109 -13.471 1.00 51.34 N ATOM 978 CA TYR A 67 20.400 -2.295 -13.420 1.00 45.52 C ATOM 979 C TYR A 67 21.248 -2.501 -14.670 1.00 13.33 C ATOM 980 O TYR A 67 20.980 -3.392 -15.479 1.00 44.14 O ATOM 981 CB TYR A 67 21.217 -2.636 -12.173 1.00 75.22 C ATOM 982 CG TYR A 67 20.706 -1.973 -10.914 1.00 70.21 C ATOM 983 CD1 TYR A 67 19.532 -2.403 -10.306 1.00 72.12 C ATOM 984 CD2 TYR A 67 21.397 -0.919 -10.330 1.00 14.32 C ATOM 985 CE1 TYR A 67 19.061 -1.801 -9.157 1.00 62.20 C ATOM 986 CE2 TYR A 67 20.934 -0.312 -9.179 1.00 31.21 C ATOM 987 CZ TYR A 67 19.766 -0.755 -8.596 1.00 41.10 C ATOM 988 OH TYR A 67 19.300 -0.153 -7.451 1.00 24.34 O ATOM 0 H TYR A 67 19.358 -4.105 -13.615 1.00 51.34 H new ATOM 0 HA TYR A 67 20.101 -1.248 -13.375 1.00 45.52 H new ATOM 0 HB2 TYR A 67 21.214 -3.717 -12.031 1.00 75.22 H new ATOM 0 HB3 TYR A 67 22.253 -2.339 -12.335 1.00 75.22 H new ATOM 0 HD1 TYR A 67 18.979 -3.223 -10.741 1.00 72.12 H new ATOM 0 HD2 TYR A 67 22.312 -0.568 -10.784 1.00 14.32 H new ATOM 0 HE1 TYR A 67 18.146 -2.146 -8.699 1.00 62.20 H new ATOM 0 HE2 TYR A 67 21.484 0.506 -8.738 1.00 31.21 H new ATOM 0 HH TYR A 67 19.652 0.760 -7.395 1.00 24.34 H new ATOM 998 N LYS A 68 22.275 -1.673 -14.824 1.00 33.23 N ATOM 999 CA LYS A 68 23.167 -1.763 -15.975 1.00 61.50 C ATOM 1000 C LYS A 68 24.530 -2.313 -15.564 1.00 53.33 C ATOM 1001 O LYS A 68 25.364 -1.590 -15.020 1.00 44.24 O ATOM 1002 CB LYS A 68 23.336 -0.388 -16.625 1.00 51.34 C ATOM 1003 CG LYS A 68 23.711 0.708 -15.644 1.00 25.33 C ATOM 1004 CD LYS A 68 24.859 1.555 -16.166 1.00 13.04 C ATOM 1005 CE LYS A 68 24.491 2.250 -17.467 1.00 50.43 C ATOM 1006 NZ LYS A 68 25.416 3.376 -17.777 1.00 25.52 N ATOM 0 H LYS A 68 22.511 -0.931 -14.166 1.00 33.23 H new ATOM 0 HA LYS A 68 22.720 -2.447 -16.697 1.00 61.50 H new ATOM 0 HB2 LYS A 68 24.104 -0.452 -17.396 1.00 51.34 H new ATOM 0 HB3 LYS A 68 22.406 -0.115 -17.124 1.00 51.34 H new ATOM 0 HG2 LYS A 68 22.845 1.343 -15.458 1.00 25.33 H new ATOM 0 HG3 LYS A 68 23.991 0.263 -14.689 1.00 25.33 H new ATOM 0 HD2 LYS A 68 25.132 2.300 -15.419 1.00 13.04 H new ATOM 0 HD3 LYS A 68 25.735 0.926 -16.323 1.00 13.04 H new ATOM 0 HE2 LYS A 68 24.512 1.528 -18.283 1.00 50.43 H new ATOM 0 HE3 LYS A 68 23.470 2.626 -17.401 1.00 50.43 H new ATOM 0 HZ1 LYS A 68 25.131 3.823 -18.672 1.00 25.52 H new ATOM 0 HZ2 LYS A 68 25.377 4.078 -17.011 1.00 25.52 H new ATOM 0 HZ3 LYS A 68 26.387 3.014 -17.865 1.00 25.52 H new ATOM 1020 N PHE A 69 24.750 -3.595 -15.832 1.00 2.04 N ATOM 1021 CA PHE A 69 26.011 -4.242 -15.492 1.00 22.02 C ATOM 1022 C PHE A 69 27.020 -4.099 -16.627 1.00 31.51 C ATOM 1023 O PHE A 69 26.706 -4.355 -17.788 1.00 43.41 O ATOM 1024 CB PHE A 69 25.783 -5.724 -15.181 1.00 34.24 C ATOM 1025 CG PHE A 69 24.996 -5.959 -13.925 1.00 43.41 C ATOM 1026 CD1 PHE A 69 25.266 -5.233 -12.776 1.00 64.23 C ATOM 1027 CD2 PHE A 69 23.985 -6.906 -13.892 1.00 23.50 C ATOM 1028 CE1 PHE A 69 24.542 -5.447 -11.617 1.00 53.10 C ATOM 1029 CE2 PHE A 69 23.258 -7.124 -12.737 1.00 51.43 C ATOM 1030 CZ PHE A 69 23.538 -6.394 -11.598 1.00 53.34 C ATOM 0 H PHE A 69 24.071 -4.207 -16.284 1.00 2.04 H new ATOM 0 HA PHE A 69 26.414 -3.750 -14.607 1.00 22.02 H new ATOM 0 HB2 PHE A 69 25.261 -6.187 -16.019 1.00 34.24 H new ATOM 0 HB3 PHE A 69 26.749 -6.221 -15.093 1.00 34.24 H new ATOM 0 HD1 PHE A 69 26.051 -4.491 -12.786 1.00 64.23 H new ATOM 0 HD2 PHE A 69 23.763 -7.480 -14.779 1.00 23.50 H new ATOM 0 HE1 PHE A 69 24.762 -4.874 -10.728 1.00 53.10 H new ATOM 0 HE2 PHE A 69 22.472 -7.864 -12.725 1.00 51.43 H new ATOM 0 HZ PHE A 69 22.972 -6.564 -10.694 1.00 53.34 H new ATOM 1040 N GLY A 70 28.236 -3.686 -16.283 1.00 20.30 N ATOM 1041 CA GLY A 70 29.273 -3.515 -17.283 1.00 71.54 C ATOM 1042 C GLY A 70 29.908 -4.827 -17.692 1.00 24.25 C ATOM 1043 O GLY A 70 29.832 -5.227 -18.854 1.00 65.44 O ATOM 0 H GLY A 70 28.521 -3.467 -15.329 1.00 20.30 H new ATOM 0 HA2 GLY A 70 28.848 -3.031 -18.163 1.00 71.54 H new ATOM 0 HA3 GLY A 70 30.043 -2.849 -16.893 1.00 71.54 H new ATOM 1047 N ASN A 71 30.538 -5.501 -16.735 1.00 14.04 N ATOM 1048 CA ASN A 71 31.192 -6.777 -17.002 1.00 14.25 C ATOM 1049 C ASN A 71 31.719 -7.400 -15.712 1.00 75.11 C ATOM 1050 O ASN A 71 32.482 -6.774 -14.977 1.00 73.15 O ATOM 1051 CB ASN A 71 32.340 -6.589 -17.997 1.00 44.33 C ATOM 1052 CG ASN A 71 32.512 -7.785 -18.912 1.00 54.00 C ATOM 1053 OD1 ASN A 71 32.416 -8.932 -18.479 1.00 14.42 O ATOM 1054 ND2 ASN A 71 32.771 -7.520 -20.189 1.00 50.52 N ATOM 0 H ASN A 71 30.609 -5.185 -15.768 1.00 14.04 H new ATOM 0 HA ASN A 71 30.453 -7.451 -17.434 1.00 14.25 H new ATOM 0 HB2 ASN A 71 32.154 -5.699 -18.598 1.00 44.33 H new ATOM 0 HB3 ASN A 71 33.267 -6.417 -17.450 1.00 44.33 H new ATOM 0 HD21 ASN A 71 32.899 -8.284 -20.853 1.00 50.52 H new ATOM 0 HD22 ASN A 71 32.842 -6.553 -20.505 1.00 50.52 H new ATOM 1061 N TRP A 72 31.308 -8.634 -15.446 1.00 70.42 N ATOM 1062 CA TRP A 72 31.740 -9.340 -14.246 1.00 4.23 C ATOM 1063 C TRP A 72 33.257 -9.295 -14.103 1.00 72.35 C ATOM 1064 O TRP A 72 33.989 -9.646 -15.028 1.00 20.11 O ATOM 1065 CB TRP A 72 31.263 -10.793 -14.285 1.00 61.34 C ATOM 1066 CG TRP A 72 29.875 -10.948 -14.828 1.00 52.30 C ATOM 1067 CD1 TRP A 72 29.528 -11.339 -16.090 1.00 54.43 C ATOM 1068 CD2 TRP A 72 28.649 -10.714 -14.127 1.00 55.34 C ATOM 1069 NE1 TRP A 72 28.160 -11.362 -16.215 1.00 3.42 N ATOM 1070 CE2 TRP A 72 27.598 -10.983 -15.025 1.00 53.22 C ATOM 1071 CE3 TRP A 72 28.337 -10.305 -12.828 1.00 2.31 C ATOM 1072 CZ2 TRP A 72 26.259 -10.855 -14.664 1.00 75.32 C ATOM 1073 CZ3 TRP A 72 27.008 -10.178 -12.472 1.00 23.34 C ATOM 1074 CH2 TRP A 72 25.983 -10.452 -13.385 1.00 13.14 C ATOM 0 H TRP A 72 30.677 -9.166 -16.045 1.00 70.42 H new ATOM 0 HA TRP A 72 31.298 -8.842 -13.383 1.00 4.23 H new ATOM 0 HB2 TRP A 72 31.952 -11.378 -14.895 1.00 61.34 H new ATOM 0 HB3 TRP A 72 31.300 -11.207 -13.277 1.00 61.34 H new ATOM 0 HD1 TRP A 72 30.226 -11.593 -16.874 1.00 54.43 H new ATOM 0 HE1 TRP A 72 27.646 -11.620 -17.058 1.00 3.42 H new ATOM 0 HE3 TRP A 72 29.120 -10.092 -12.115 1.00 2.31 H new ATOM 0 HZ2 TRP A 72 25.467 -11.066 -15.367 1.00 75.32 H new ATOM 0 HZ3 TRP A 72 26.755 -9.861 -11.471 1.00 23.34 H new ATOM 0 HH2 TRP A 72 24.954 -10.343 -13.074 1.00 13.14 H new ATOM 1085 N GLY A 73 33.724 -8.858 -12.938 1.00 20.53 N ATOM 1086 CA GLY A 73 35.153 -8.774 -12.696 1.00 22.50 C ATOM 1087 C GLY A 73 35.839 -10.122 -12.800 1.00 31.23 C ATOM 1088 O GLY A 73 35.259 -11.082 -13.307 1.00 73.42 O ATOM 0 H GLY A 73 33.139 -8.561 -12.157 1.00 20.53 H new ATOM 0 HA2 GLY A 73 35.600 -8.086 -13.414 1.00 22.50 H new ATOM 0 HA3 GLY A 73 35.326 -8.357 -11.704 1.00 22.50 H new ATOM 1092 N GLU A 74 37.077 -10.193 -12.320 1.00 62.00 N ATOM 1093 CA GLU A 74 37.842 -11.433 -12.364 1.00 32.23 C ATOM 1094 C GLU A 74 37.409 -12.381 -11.250 1.00 44.13 C ATOM 1095 O GLU A 74 37.307 -11.986 -10.088 1.00 42.41 O ATOM 1096 CB GLU A 74 39.339 -11.140 -12.245 1.00 72.44 C ATOM 1097 CG GLU A 74 39.702 -10.315 -11.021 1.00 54.10 C ATOM 1098 CD GLU A 74 40.539 -11.089 -10.022 1.00 43.11 C ATOM 1099 OE1 GLU A 74 41.440 -11.836 -10.455 1.00 1.50 O ATOM 1100 OE2 GLU A 74 40.291 -10.948 -8.806 1.00 51.43 O ATOM 0 H GLU A 74 37.571 -9.407 -11.897 1.00 62.00 H new ATOM 0 HA GLU A 74 37.648 -11.914 -13.323 1.00 32.23 H new ATOM 0 HB2 GLU A 74 39.884 -12.083 -12.212 1.00 72.44 H new ATOM 0 HB3 GLU A 74 39.670 -10.612 -13.140 1.00 72.44 H new ATOM 0 HG2 GLU A 74 40.249 -9.426 -11.336 1.00 54.10 H new ATOM 0 HG3 GLU A 74 38.789 -9.972 -10.535 1.00 54.10 H new ATOM 1107 N CYS A 75 37.154 -13.634 -11.612 1.00 43.44 N ATOM 1108 CA CYS A 75 36.729 -14.638 -10.645 1.00 3.05 C ATOM 1109 C CYS A 75 37.930 -15.229 -9.912 1.00 65.32 C ATOM 1110 O CYS A 75 38.862 -15.737 -10.534 1.00 62.14 O ATOM 1111 CB CYS A 75 35.947 -15.753 -11.345 1.00 64.14 C ATOM 1112 SG CYS A 75 34.391 -15.199 -12.111 1.00 14.43 S ATOM 0 H CYS A 75 37.235 -13.978 -12.569 1.00 43.44 H new ATOM 0 HA CYS A 75 36.082 -14.152 -9.915 1.00 3.05 H new ATOM 0 HB2 CYS A 75 36.579 -16.199 -12.113 1.00 64.14 H new ATOM 0 HB3 CYS A 75 35.724 -16.536 -10.621 1.00 64.14 H new ATOM 1118 N ASP A 76 37.899 -15.157 -8.585 1.00 31.11 N ATOM 1119 CA ASP A 76 38.984 -15.685 -7.767 1.00 21.43 C ATOM 1120 C ASP A 76 38.626 -17.060 -7.212 1.00 21.35 C ATOM 1121 O ASP A 76 37.768 -17.185 -6.339 1.00 63.04 O ATOM 1122 CB ASP A 76 39.299 -14.725 -6.619 1.00 4.52 C ATOM 1123 CG ASP A 76 40.779 -14.672 -6.297 1.00 71.20 C ATOM 1124 OD1 ASP A 76 41.583 -14.498 -7.235 1.00 1.40 O ATOM 1125 OD2 ASP A 76 41.133 -14.805 -5.106 1.00 31.12 O ATOM 0 H ASP A 76 37.135 -14.739 -8.054 1.00 31.11 H new ATOM 0 HA ASP A 76 39.866 -15.786 -8.399 1.00 21.43 H new ATOM 0 HB2 ASP A 76 38.951 -13.725 -6.880 1.00 4.52 H new ATOM 0 HB3 ASP A 76 38.748 -15.033 -5.730 1.00 4.52 H new ATOM 1130 N ALA A 77 39.289 -18.091 -7.727 1.00 25.04 N ATOM 1131 CA ALA A 77 39.042 -19.457 -7.282 1.00 34.01 C ATOM 1132 C ALA A 77 39.306 -19.605 -5.786 1.00 34.01 C ATOM 1133 O ALA A 77 38.859 -20.565 -5.160 1.00 61.20 O ATOM 1134 CB ALA A 77 39.903 -20.432 -8.070 1.00 32.14 C ATOM 0 H ALA A 77 40.001 -18.006 -8.452 1.00 25.04 H new ATOM 0 HA ALA A 77 37.992 -19.687 -7.463 1.00 34.01 H new ATOM 0 HB1 ALA A 77 39.708 -21.448 -7.727 1.00 32.14 H new ATOM 0 HB2 ALA A 77 39.663 -20.354 -9.130 1.00 32.14 H new ATOM 0 HB3 ALA A 77 40.956 -20.193 -7.918 1.00 32.14 H new ATOM 1140 N ALA A 78 40.035 -18.648 -5.222 1.00 33.24 N ATOM 1141 CA ALA A 78 40.358 -18.672 -3.801 1.00 41.15 C ATOM 1142 C ALA A 78 39.108 -18.468 -2.952 1.00 43.01 C ATOM 1143 O ALA A 78 39.031 -18.944 -1.818 1.00 24.20 O ATOM 1144 CB ALA A 78 41.397 -17.608 -3.478 1.00 40.45 C ATOM 0 H ALA A 78 40.413 -17.847 -5.727 1.00 33.24 H new ATOM 0 HA ALA A 78 40.772 -19.652 -3.563 1.00 41.15 H new ATOM 0 HB1 ALA A 78 41.629 -17.637 -2.413 1.00 40.45 H new ATOM 0 HB2 ALA A 78 42.304 -17.799 -4.052 1.00 40.45 H new ATOM 0 HB3 ALA A 78 41.004 -16.625 -3.737 1.00 40.45 H new ATOM 1150 N THR A 79 38.129 -17.758 -3.506 1.00 51.11 N ATOM 1151 CA THR A 79 36.884 -17.491 -2.798 1.00 23.41 C ATOM 1152 C THR A 79 35.693 -18.089 -3.536 1.00 51.51 C ATOM 1153 O THR A 79 34.645 -18.340 -2.943 1.00 3.21 O ATOM 1154 CB THR A 79 36.655 -15.979 -2.617 1.00 50.41 C ATOM 1155 OG1 THR A 79 35.396 -15.747 -1.975 1.00 21.24 O ATOM 1156 CG2 THR A 79 36.683 -15.262 -3.958 1.00 14.43 C ATOM 0 H THR A 79 38.175 -17.358 -4.443 1.00 51.11 H new ATOM 0 HA THR A 79 36.971 -17.958 -1.817 1.00 23.41 H new ATOM 0 HB THR A 79 37.459 -15.586 -1.995 1.00 50.41 H new ATOM 0 HG1 THR A 79 34.672 -15.853 -2.627 1.00 21.24 H new ATOM 0 HG21 THR A 79 36.519 -14.196 -3.804 1.00 14.43 H new ATOM 0 HG22 THR A 79 37.652 -15.415 -4.432 1.00 14.43 H new ATOM 0 HG23 THR A 79 35.898 -15.661 -4.600 1.00 14.43 H new ATOM 1164 N SER A 80 35.862 -18.316 -4.836 1.00 44.00 N ATOM 1165 CA SER A 80 34.798 -18.884 -5.657 1.00 21.23 C ATOM 1166 C SER A 80 33.596 -17.946 -5.713 1.00 70.44 C ATOM 1167 O SER A 80 32.447 -18.381 -5.621 1.00 32.11 O ATOM 1168 CB SER A 80 34.370 -20.245 -5.106 1.00 4.10 C ATOM 1169 OG SER A 80 35.459 -20.909 -4.487 1.00 65.12 O ATOM 0 H SER A 80 36.724 -18.115 -5.342 1.00 44.00 H new ATOM 0 HA SER A 80 35.184 -19.014 -6.668 1.00 21.23 H new ATOM 0 HB2 SER A 80 33.564 -20.112 -4.385 1.00 4.10 H new ATOM 0 HB3 SER A 80 33.976 -20.861 -5.915 1.00 4.10 H new ATOM 0 HG SER A 80 35.160 -21.776 -4.141 1.00 65.12 H new ATOM 1175 N THR A 81 33.868 -16.653 -5.863 1.00 63.42 N ATOM 1176 CA THR A 81 32.811 -15.652 -5.929 1.00 23.42 C ATOM 1177 C THR A 81 33.238 -14.457 -6.774 1.00 33.11 C ATOM 1178 O THR A 81 34.384 -14.011 -6.704 1.00 42.41 O ATOM 1179 CB THR A 81 32.417 -15.157 -4.524 1.00 74.25 C ATOM 1180 OG1 THR A 81 33.584 -15.017 -3.708 1.00 35.34 O ATOM 1181 CG2 THR A 81 31.444 -16.121 -3.865 1.00 64.21 C ATOM 0 H THR A 81 34.812 -16.275 -5.941 1.00 63.42 H new ATOM 0 HA THR A 81 31.949 -16.133 -6.392 1.00 23.42 H new ATOM 0 HB THR A 81 31.930 -14.188 -4.628 1.00 74.25 H new ATOM 0 HG1 THR A 81 33.340 -14.596 -2.857 1.00 35.34 H new ATOM 0 HG21 THR A 81 31.180 -15.751 -2.874 1.00 64.21 H new ATOM 0 HG22 THR A 81 30.544 -16.202 -4.474 1.00 64.21 H new ATOM 0 HG23 THR A 81 31.910 -17.102 -3.774 1.00 64.21 H new ATOM 1189 N LYS A 82 32.310 -13.941 -7.574 1.00 22.15 N ATOM 1190 CA LYS A 82 32.589 -12.797 -8.432 1.00 14.51 C ATOM 1191 C LYS A 82 31.855 -11.555 -7.938 1.00 71.21 C ATOM 1192 O LYS A 82 30.821 -11.654 -7.277 1.00 31.54 O ATOM 1193 CB LYS A 82 32.180 -13.102 -9.875 1.00 22.32 C ATOM 1194 CG LYS A 82 30.718 -13.489 -10.024 1.00 25.43 C ATOM 1195 CD LYS A 82 29.956 -12.476 -10.860 1.00 42.30 C ATOM 1196 CE LYS A 82 29.002 -11.654 -10.007 1.00 45.45 C ATOM 1197 NZ LYS A 82 29.564 -10.315 -9.679 1.00 42.24 N ATOM 0 H LYS A 82 31.357 -14.298 -7.645 1.00 22.15 H new ATOM 0 HA LYS A 82 33.661 -12.603 -8.398 1.00 14.51 H new ATOM 0 HB2 LYS A 82 32.380 -12.227 -10.493 1.00 22.32 H new ATOM 0 HB3 LYS A 82 32.802 -13.911 -10.257 1.00 22.32 H new ATOM 0 HG2 LYS A 82 30.647 -14.473 -10.488 1.00 25.43 H new ATOM 0 HG3 LYS A 82 30.259 -13.568 -9.038 1.00 25.43 H new ATOM 0 HD2 LYS A 82 30.661 -11.813 -11.361 1.00 42.30 H new ATOM 0 HD3 LYS A 82 29.396 -12.993 -11.639 1.00 42.30 H new ATOM 0 HE2 LYS A 82 28.057 -11.531 -10.535 1.00 45.45 H new ATOM 0 HE3 LYS A 82 28.784 -12.192 -9.085 1.00 45.45 H new ATOM 0 HZ1 LYS A 82 29.626 -10.208 -8.646 1.00 42.24 H new ATOM 0 HZ2 LYS A 82 30.513 -10.226 -10.094 1.00 42.24 H new ATOM 0 HZ3 LYS A 82 28.946 -9.574 -10.067 1.00 42.24 H new ATOM 1211 N SER A 83 32.395 -10.385 -8.263 1.00 33.20 N ATOM 1212 CA SER A 83 31.793 -9.122 -7.849 1.00 52.42 C ATOM 1213 C SER A 83 31.542 -8.220 -9.054 1.00 12.33 C ATOM 1214 O SER A 83 32.316 -8.214 -10.012 1.00 64.01 O ATOM 1215 CB SER A 83 32.696 -8.407 -6.842 1.00 22.01 C ATOM 1216 OG SER A 83 32.391 -8.800 -5.515 1.00 45.21 O ATOM 0 H SER A 83 33.249 -10.285 -8.812 1.00 33.20 H new ATOM 0 HA SER A 83 30.836 -9.342 -7.375 1.00 52.42 H new ATOM 0 HB2 SER A 83 33.740 -8.632 -7.061 1.00 22.01 H new ATOM 0 HB3 SER A 83 32.575 -7.328 -6.942 1.00 22.01 H new ATOM 0 HG SER A 83 32.983 -8.331 -4.891 1.00 45.21 H new ATOM 1222 N ARG A 84 30.454 -7.458 -8.999 1.00 3.54 N ATOM 1223 CA ARG A 84 30.099 -6.553 -10.084 1.00 52.21 C ATOM 1224 C ARG A 84 29.236 -5.403 -9.573 1.00 31.04 C ATOM 1225 O ARG A 84 28.304 -5.609 -8.795 1.00 12.02 O ATOM 1226 CB ARG A 84 29.357 -7.310 -11.186 1.00 14.51 C ATOM 1227 CG ARG A 84 28.853 -6.415 -12.307 1.00 15.20 C ATOM 1228 CD ARG A 84 29.878 -6.291 -13.423 1.00 74.11 C ATOM 1229 NE ARG A 84 31.068 -5.562 -12.994 1.00 35.00 N ATOM 1230 CZ ARG A 84 31.161 -4.236 -12.999 1.00 11.10 C ATOM 1231 NH1 ARG A 84 30.137 -3.499 -13.409 1.00 10.41 N ATOM 1232 NH2 ARG A 84 32.278 -3.645 -12.594 1.00 1.15 N ATOM 0 H ARG A 84 29.803 -7.450 -8.214 1.00 3.54 H new ATOM 0 HA ARG A 84 31.020 -6.139 -10.494 1.00 52.21 H new ATOM 0 HB2 ARG A 84 30.021 -8.065 -11.606 1.00 14.51 H new ATOM 0 HB3 ARG A 84 28.511 -7.838 -10.746 1.00 14.51 H new ATOM 0 HG2 ARG A 84 27.924 -6.820 -12.708 1.00 15.20 H new ATOM 0 HG3 ARG A 84 28.624 -5.426 -11.910 1.00 15.20 H new ATOM 0 HD2 ARG A 84 30.165 -7.286 -13.764 1.00 74.11 H new ATOM 0 HD3 ARG A 84 29.427 -5.781 -14.274 1.00 74.11 H new ATOM 0 HE ARG A 84 31.873 -6.100 -12.673 1.00 35.00 H new ATOM 0 HH11 ARG A 84 29.277 -3.950 -13.721 1.00 10.41 H new ATOM 0 HH12 ARG A 84 30.210 -2.482 -13.412 1.00 10.41 H new ATOM 0 HH21 ARG A 84 33.067 -4.208 -12.278 1.00 1.15 H new ATOM 0 HH22 ARG A 84 32.347 -2.627 -12.599 1.00 1.15 H new ATOM 1246 N THR A 85 29.554 -4.189 -10.015 1.00 23.23 N ATOM 1247 CA THR A 85 28.811 -3.007 -9.600 1.00 53.35 C ATOM 1248 C THR A 85 27.793 -2.600 -10.660 1.00 62.53 C ATOM 1249 O THR A 85 28.145 -2.355 -11.813 1.00 51.44 O ATOM 1250 CB THR A 85 29.752 -1.818 -9.326 1.00 4.42 C ATOM 1251 OG1 THR A 85 30.924 -1.923 -10.142 1.00 42.33 O ATOM 1252 CG2 THR A 85 30.152 -1.773 -7.859 1.00 13.13 C ATOM 0 H THR A 85 30.321 -4.000 -10.660 1.00 23.23 H new ATOM 0 HA THR A 85 28.290 -3.268 -8.679 1.00 53.35 H new ATOM 0 HB THR A 85 29.221 -0.898 -9.570 1.00 4.42 H new ATOM 0 HG1 THR A 85 31.516 -1.163 -9.963 1.00 42.33 H new ATOM 0 HG21 THR A 85 30.816 -0.926 -7.689 1.00 13.13 H new ATOM 0 HG22 THR A 85 29.260 -1.665 -7.242 1.00 13.13 H new ATOM 0 HG23 THR A 85 30.667 -2.697 -7.594 1.00 13.13 H new ATOM 1260 N GLY A 86 26.527 -2.527 -10.259 1.00 55.21 N ATOM 1261 CA GLY A 86 25.476 -2.148 -11.188 1.00 62.44 C ATOM 1262 C GLY A 86 24.855 -0.807 -10.845 1.00 22.51 C ATOM 1263 O GLY A 86 24.357 -0.611 -9.735 1.00 54.35 O ATOM 0 H GLY A 86 26.210 -2.723 -9.309 1.00 55.21 H new ATOM 0 HA2 GLY A 86 25.885 -2.108 -12.198 1.00 62.44 H new ATOM 0 HA3 GLY A 86 24.701 -2.915 -11.188 1.00 62.44 H new ATOM 1267 N THR A 87 24.887 0.118 -11.798 1.00 74.52 N ATOM 1268 CA THR A 87 24.326 1.448 -11.590 1.00 44.21 C ATOM 1269 C THR A 87 22.871 1.508 -12.043 1.00 21.14 C ATOM 1270 O THR A 87 22.489 0.866 -13.021 1.00 45.35 O ATOM 1271 CB THR A 87 25.132 2.522 -12.345 1.00 11.21 C ATOM 1272 OG1 THR A 87 26.494 2.514 -11.902 1.00 52.03 O ATOM 1273 CG2 THR A 87 24.530 3.902 -12.130 1.00 24.41 C ATOM 0 H THR A 87 25.295 -0.028 -12.721 1.00 74.52 H new ATOM 0 HA THR A 87 24.379 1.650 -10.520 1.00 44.21 H new ATOM 0 HB THR A 87 25.096 2.290 -13.410 1.00 11.21 H new ATOM 0 HG1 THR A 87 27.000 3.198 -12.388 1.00 52.03 H new ATOM 0 HG21 THR A 87 25.116 4.643 -12.673 1.00 24.41 H new ATOM 0 HG22 THR A 87 23.503 3.912 -12.496 1.00 24.41 H new ATOM 0 HG23 THR A 87 24.538 4.141 -11.067 1.00 24.41 H new ATOM 1281 N LEU A 88 22.066 2.283 -11.327 1.00 63.04 N ATOM 1282 CA LEU A 88 20.651 2.428 -11.655 1.00 13.03 C ATOM 1283 C LEU A 88 20.474 3.088 -13.018 1.00 74.52 C ATOM 1284 O LEU A 88 21.162 4.056 -13.344 1.00 23.42 O ATOM 1285 CB LEU A 88 19.939 3.251 -10.580 1.00 74.10 C ATOM 1286 CG LEU A 88 18.431 3.429 -10.760 1.00 34.31 C ATOM 1287 CD1 LEU A 88 17.727 2.082 -10.724 1.00 53.20 C ATOM 1288 CD2 LEU A 88 17.872 4.356 -9.691 1.00 30.14 C ATOM 0 H LEU A 88 22.368 2.821 -10.515 1.00 63.04 H new ATOM 0 HA LEU A 88 20.208 1.433 -11.693 1.00 13.03 H new ATOM 0 HB2 LEU A 88 20.116 2.780 -9.613 1.00 74.10 H new ATOM 0 HB3 LEU A 88 20.399 4.238 -10.542 1.00 74.10 H new ATOM 0 HG LEU A 88 18.251 3.883 -11.735 1.00 34.31 H new ATOM 0 HD11 LEU A 88 16.655 2.228 -10.854 1.00 53.20 H new ATOM 0 HD12 LEU A 88 18.107 1.451 -11.528 1.00 53.20 H new ATOM 0 HD13 LEU A 88 17.914 1.599 -9.765 1.00 53.20 H new ATOM 0 HD21 LEU A 88 16.798 4.471 -9.835 1.00 30.14 H new ATOM 0 HD22 LEU A 88 18.063 3.932 -8.705 1.00 30.14 H new ATOM 0 HD23 LEU A 88 18.354 5.331 -9.766 1.00 30.14 H new ATOM 1300 N GLN A 89 19.547 2.560 -13.810 1.00 34.25 N ATOM 1301 CA GLN A 89 19.280 3.100 -15.138 1.00 41.23 C ATOM 1302 C GLN A 89 17.865 3.663 -15.221 1.00 51.32 C ATOM 1303 O GLN A 89 17.654 4.775 -15.708 1.00 35.34 O ATOM 1304 CB GLN A 89 19.474 2.017 -16.201 1.00 63.24 C ATOM 1305 CG GLN A 89 18.966 0.649 -15.775 1.00 50.22 C ATOM 1306 CD GLN A 89 19.198 -0.414 -16.830 1.00 32.23 C ATOM 1307 OE1 GLN A 89 19.698 -0.127 -17.918 1.00 14.14 O ATOM 1308 NE2 GLN A 89 18.839 -1.652 -16.512 1.00 13.33 N ATOM 0 H GLN A 89 18.968 1.759 -13.556 1.00 34.25 H new ATOM 0 HA GLN A 89 19.986 3.910 -15.322 1.00 41.23 H new ATOM 0 HB2 GLN A 89 18.959 2.319 -17.113 1.00 63.24 H new ATOM 0 HB3 GLN A 89 20.534 1.943 -16.443 1.00 63.24 H new ATOM 0 HG2 GLN A 89 19.463 0.353 -14.851 1.00 50.22 H new ATOM 0 HG3 GLN A 89 17.900 0.713 -15.558 1.00 50.22 H new ATOM 0 HE21 GLN A 89 18.428 -1.845 -15.599 1.00 13.33 H new ATOM 0 HE22 GLN A 89 18.974 -2.410 -17.181 1.00 13.33 H new ATOM 1317 N LYS A 90 16.896 2.890 -14.743 1.00 44.41 N ATOM 1318 CA LYS A 90 15.500 3.310 -14.761 1.00 51.03 C ATOM 1319 C LYS A 90 14.763 2.804 -13.525 1.00 54.31 C ATOM 1320 O LYS A 90 15.195 1.849 -12.882 1.00 42.43 O ATOM 1321 CB LYS A 90 14.809 2.799 -16.027 1.00 13.31 C ATOM 1322 CG LYS A 90 15.252 1.407 -16.441 1.00 21.43 C ATOM 1323 CD LYS A 90 14.890 0.370 -15.390 1.00 51.14 C ATOM 1324 CE LYS A 90 14.447 -0.939 -16.026 1.00 53.22 C ATOM 1325 NZ LYS A 90 15.427 -1.423 -17.038 1.00 24.23 N ATOM 0 H LYS A 90 17.052 1.967 -14.337 1.00 44.41 H new ATOM 0 HA LYS A 90 15.474 4.400 -14.756 1.00 51.03 H new ATOM 0 HB2 LYS A 90 13.731 2.795 -15.866 1.00 13.31 H new ATOM 0 HB3 LYS A 90 15.007 3.492 -16.844 1.00 13.31 H new ATOM 0 HG2 LYS A 90 14.785 1.143 -17.390 1.00 21.43 H new ATOM 0 HG3 LYS A 90 16.330 1.401 -16.603 1.00 21.43 H new ATOM 0 HD2 LYS A 90 15.750 0.189 -14.745 1.00 51.14 H new ATOM 0 HD3 LYS A 90 14.092 0.756 -14.756 1.00 51.14 H new ATOM 0 HE2 LYS A 90 14.322 -1.695 -15.251 1.00 53.22 H new ATOM 0 HE3 LYS A 90 13.474 -0.802 -16.499 1.00 53.22 H new ATOM 0 HZ1 LYS A 90 15.414 -2.463 -17.064 1.00 24.23 H new ATOM 0 HZ2 LYS A 90 15.172 -1.050 -17.975 1.00 24.23 H new ATOM 0 HZ3 LYS A 90 16.380 -1.095 -16.783 1.00 24.23 H new ATOM 1339 N ALA A 91 13.647 3.451 -13.203 1.00 4.23 N ATOM 1340 CA ALA A 91 12.848 3.062 -12.047 1.00 43.12 C ATOM 1341 C ALA A 91 11.508 2.476 -12.477 1.00 74.04 C ATOM 1342 O ALA A 91 10.771 3.088 -13.253 1.00 64.34 O ATOM 1343 CB ALA A 91 12.634 4.257 -11.128 1.00 12.00 C ATOM 0 H ALA A 91 13.277 4.245 -13.725 1.00 4.23 H new ATOM 0 HA ALA A 91 13.393 2.291 -11.502 1.00 43.12 H new ATOM 0 HB1 ALA A 91 12.036 3.953 -10.269 1.00 12.00 H new ATOM 0 HB2 ALA A 91 13.599 4.629 -10.785 1.00 12.00 H new ATOM 0 HB3 ALA A 91 12.113 5.045 -11.672 1.00 12.00 H new ATOM 1349 N LEU A 92 11.197 1.288 -11.971 1.00 53.04 N ATOM 1350 CA LEU A 92 9.944 0.618 -12.304 1.00 52.11 C ATOM 1351 C LEU A 92 8.846 0.991 -11.313 1.00 75.31 C ATOM 1352 O LEU A 92 7.781 0.376 -11.290 1.00 11.24 O ATOM 1353 CB LEU A 92 10.141 -0.898 -12.318 1.00 35.53 C ATOM 1354 CG LEU A 92 11.478 -1.396 -12.870 1.00 31.33 C ATOM 1355 CD1 LEU A 92 11.560 -2.913 -12.781 1.00 74.45 C ATOM 1356 CD2 LEU A 92 11.669 -0.932 -14.307 1.00 62.40 C ATOM 0 H LEU A 92 11.795 0.768 -11.328 1.00 53.04 H new ATOM 0 HA LEU A 92 9.638 0.947 -13.297 1.00 52.11 H new ATOM 0 HB2 LEU A 92 10.031 -1.268 -11.299 1.00 35.53 H new ATOM 0 HB3 LEU A 92 9.339 -1.343 -12.907 1.00 35.53 H new ATOM 0 HG LEU A 92 12.280 -0.973 -12.264 1.00 31.33 H new ATOM 0 HD11 LEU A 92 12.518 -3.250 -13.178 1.00 74.45 H new ATOM 0 HD12 LEU A 92 11.470 -3.222 -11.739 1.00 74.45 H new ATOM 0 HD13 LEU A 92 10.751 -3.356 -13.362 1.00 74.45 H new ATOM 0 HD21 LEU A 92 12.625 -1.296 -14.683 1.00 62.40 H new ATOM 0 HD22 LEU A 92 10.863 -1.325 -14.926 1.00 62.40 H new ATOM 0 HD23 LEU A 92 11.656 0.157 -14.342 1.00 62.40 H new ATOM 1368 N PHE A 93 9.114 2.005 -10.496 1.00 25.44 N ATOM 1369 CA PHE A 93 8.150 2.461 -9.502 1.00 25.10 C ATOM 1370 C PHE A 93 7.773 1.329 -8.550 1.00 14.44 C ATOM 1371 O PHE A 93 8.219 0.193 -8.711 1.00 71.14 O ATOM 1372 CB PHE A 93 6.895 3.002 -10.190 1.00 71.30 C ATOM 1373 CG PHE A 93 6.911 4.493 -10.378 1.00 22.04 C ATOM 1374 CD1 PHE A 93 6.983 5.342 -9.285 1.00 21.40 C ATOM 1375 CD2 PHE A 93 6.853 5.045 -11.648 1.00 23.42 C ATOM 1376 CE1 PHE A 93 6.999 6.714 -9.454 1.00 5.45 C ATOM 1377 CE2 PHE A 93 6.868 6.416 -11.823 1.00 34.10 C ATOM 1378 CZ PHE A 93 6.939 7.251 -10.725 1.00 31.11 C ATOM 0 H PHE A 93 9.991 2.526 -10.503 1.00 25.44 H new ATOM 0 HA PHE A 93 8.613 3.260 -8.923 1.00 25.10 H new ATOM 0 HB2 PHE A 93 6.788 2.522 -11.163 1.00 71.30 H new ATOM 0 HB3 PHE A 93 6.020 2.727 -9.601 1.00 71.30 H new ATOM 0 HD1 PHE A 93 7.027 4.927 -8.289 1.00 21.40 H new ATOM 0 HD2 PHE A 93 6.795 4.397 -12.510 1.00 23.42 H new ATOM 0 HE1 PHE A 93 7.058 7.365 -8.594 1.00 5.45 H new ATOM 0 HE2 PHE A 93 6.824 6.834 -12.818 1.00 34.10 H new ATOM 0 HZ PHE A 93 6.948 8.322 -10.860 1.00 31.11 H new ATOM 1388 N ASN A 94 6.948 1.649 -7.558 1.00 31.03 N ATOM 1389 CA ASN A 94 6.511 0.660 -6.579 1.00 33.45 C ATOM 1390 C ASN A 94 7.709 -0.028 -5.929 1.00 5.41 C ATOM 1391 O ASN A 94 7.614 -1.172 -5.482 1.00 64.35 O ATOM 1392 CB ASN A 94 5.609 -0.382 -7.243 1.00 40.14 C ATOM 1393 CG ASN A 94 4.483 0.251 -8.037 1.00 44.10 C ATOM 1394 OD1 ASN A 94 4.292 -0.052 -9.215 1.00 24.30 O ATOM 1395 ND2 ASN A 94 3.730 1.137 -7.394 1.00 23.14 N ATOM 0 H ASN A 94 6.569 2.584 -7.411 1.00 31.03 H new ATOM 0 HA ASN A 94 5.947 1.178 -5.804 1.00 33.45 H new ATOM 0 HB2 ASN A 94 6.208 -1.009 -7.903 1.00 40.14 H new ATOM 0 HB3 ASN A 94 5.188 -1.035 -6.478 1.00 40.14 H new ATOM 0 HD21 ASN A 94 2.958 1.596 -7.877 1.00 23.14 H new ATOM 0 HD22 ASN A 94 3.924 1.358 -6.417 1.00 23.14 H new ATOM 1402 N VAL A 95 8.835 0.676 -5.882 1.00 70.21 N ATOM 1403 CA VAL A 95 10.051 0.134 -5.286 1.00 43.13 C ATOM 1404 C VAL A 95 11.164 1.176 -5.264 1.00 45.43 C ATOM 1405 O VAL A 95 11.338 1.932 -6.220 1.00 30.22 O ATOM 1406 CB VAL A 95 10.543 -1.110 -6.049 1.00 64.32 C ATOM 1407 CG1 VAL A 95 11.148 -0.713 -7.386 1.00 44.33 C ATOM 1408 CG2 VAL A 95 11.547 -1.886 -5.209 1.00 33.12 C ATOM 0 H VAL A 95 8.931 1.623 -6.249 1.00 70.21 H new ATOM 0 HA VAL A 95 9.803 -0.150 -4.263 1.00 43.13 H new ATOM 0 HB VAL A 95 9.688 -1.757 -6.244 1.00 64.32 H new ATOM 0 HG11 VAL A 95 11.490 -1.606 -7.910 1.00 44.33 H new ATOM 0 HG12 VAL A 95 10.396 -0.204 -7.989 1.00 44.33 H new ATOM 0 HG13 VAL A 95 11.993 -0.045 -7.219 1.00 44.33 H new ATOM 0 HG21 VAL A 95 11.885 -2.762 -5.763 1.00 33.12 H new ATOM 0 HG22 VAL A 95 12.402 -1.248 -4.982 1.00 33.12 H new ATOM 0 HG23 VAL A 95 11.075 -2.204 -4.279 1.00 33.12 H new ATOM 1418 N GLU A 96 11.913 1.211 -4.167 1.00 22.52 N ATOM 1419 CA GLU A 96 13.009 2.161 -4.020 1.00 34.22 C ATOM 1420 C GLU A 96 14.327 1.550 -4.494 1.00 45.21 C ATOM 1421 O GLU A 96 14.639 0.402 -4.178 1.00 52.43 O ATOM 1422 CB GLU A 96 13.136 2.607 -2.563 1.00 22.34 C ATOM 1423 CG GLU A 96 13.413 1.466 -1.598 1.00 60.30 C ATOM 1424 CD GLU A 96 12.290 1.260 -0.601 1.00 24.20 C ATOM 1425 OE1 GLU A 96 11.179 0.882 -1.027 1.00 70.44 O ATOM 1426 OE2 GLU A 96 12.523 1.475 0.607 1.00 71.14 O ATOM 0 H GLU A 96 11.781 0.592 -3.367 1.00 22.52 H new ATOM 0 HA GLU A 96 12.787 3.030 -4.640 1.00 34.22 H new ATOM 0 HB2 GLU A 96 13.939 3.340 -2.485 1.00 22.34 H new ATOM 0 HB3 GLU A 96 12.216 3.109 -2.264 1.00 22.34 H new ATOM 0 HG2 GLU A 96 13.566 0.546 -2.163 1.00 60.30 H new ATOM 0 HG3 GLU A 96 14.339 1.667 -1.060 1.00 60.30 H new ATOM 1433 N CYS A 97 15.092 2.326 -5.252 1.00 75.20 N ATOM 1434 CA CYS A 97 16.375 1.864 -5.769 1.00 12.41 C ATOM 1435 C CYS A 97 17.479 2.872 -5.467 1.00 33.43 C ATOM 1436 O CYS A 97 17.253 4.082 -5.496 1.00 5.04 O ATOM 1437 CB CYS A 97 16.283 1.627 -7.279 1.00 71.31 C ATOM 1438 SG CYS A 97 15.011 0.419 -7.766 1.00 51.43 S ATOM 0 H CYS A 97 14.847 3.278 -5.523 1.00 75.20 H new ATOM 0 HA CYS A 97 16.622 0.925 -5.274 1.00 12.41 H new ATOM 0 HB2 CYS A 97 16.075 2.576 -7.773 1.00 71.31 H new ATOM 0 HB3 CYS A 97 17.252 1.284 -7.642 1.00 71.31 H new ATOM 1444 N GLN A 98 18.672 2.364 -5.178 1.00 12.05 N ATOM 1445 CA GLN A 98 19.812 3.219 -4.869 1.00 41.42 C ATOM 1446 C GLN A 98 20.539 3.639 -6.144 1.00 71.25 C ATOM 1447 O GLN A 98 20.492 2.939 -7.155 1.00 22.10 O ATOM 1448 CB GLN A 98 20.781 2.498 -3.931 1.00 71.41 C ATOM 1449 CG GLN A 98 20.794 3.064 -2.520 1.00 20.51 C ATOM 1450 CD GLN A 98 21.408 2.108 -1.514 1.00 22.12 C ATOM 1451 OE1 GLN A 98 22.629 2.004 -1.406 1.00 30.25 O ATOM 1452 NE2 GLN A 98 20.560 1.405 -0.773 1.00 55.03 N ATOM 0 H GLN A 98 18.875 1.365 -5.151 1.00 12.05 H new ATOM 0 HA GLN A 98 19.437 4.114 -4.373 1.00 41.42 H new ATOM 0 HB2 GLN A 98 20.514 1.442 -3.888 1.00 71.41 H new ATOM 0 HB3 GLN A 98 21.787 2.556 -4.346 1.00 71.41 H new ATOM 0 HG2 GLN A 98 21.352 4.000 -2.513 1.00 20.51 H new ATOM 0 HG3 GLN A 98 19.774 3.299 -2.217 1.00 20.51 H new ATOM 0 HE21 GLN A 98 19.555 1.524 -0.897 1.00 55.03 H new ATOM 0 HE22 GLN A 98 20.914 0.746 -0.080 1.00 55.03 H new ATOM 1461 N GLN A 99 21.208 4.785 -6.087 1.00 31.40 N ATOM 1462 CA GLN A 99 21.942 5.298 -7.238 1.00 33.33 C ATOM 1463 C GLN A 99 22.889 4.239 -7.795 1.00 22.13 C ATOM 1464 O GLN A 99 23.062 4.123 -9.009 1.00 64.30 O ATOM 1465 CB GLN A 99 22.733 6.550 -6.848 1.00 2.43 C ATOM 1466 CG GLN A 99 23.499 7.169 -8.006 1.00 31.31 C ATOM 1467 CD GLN A 99 22.799 8.383 -8.587 1.00 21.14 C ATOM 1468 OE1 GLN A 99 21.581 8.524 -8.476 1.00 0.31 O ATOM 1469 NE2 GLN A 99 23.569 9.268 -9.209 1.00 73.43 N ATOM 0 H GLN A 99 21.257 5.376 -5.257 1.00 31.40 H new ATOM 0 HA GLN A 99 21.220 5.558 -8.012 1.00 33.33 H new ATOM 0 HB2 GLN A 99 22.046 7.291 -6.440 1.00 2.43 H new ATOM 0 HB3 GLN A 99 23.435 6.294 -6.054 1.00 2.43 H new ATOM 0 HG2 GLN A 99 24.494 7.456 -7.666 1.00 31.31 H new ATOM 0 HG3 GLN A 99 23.633 6.422 -8.789 1.00 31.31 H new ATOM 0 HE21 GLN A 99 24.574 9.110 -9.277 1.00 73.43 H new ATOM 0 HE22 GLN A 99 23.155 10.105 -9.619 1.00 73.43 H new ATOM 1478 N THR A 100 23.500 3.468 -6.900 1.00 41.20 N ATOM 1479 CA THR A 100 24.429 2.420 -7.303 1.00 64.31 C ATOM 1480 C THR A 100 24.389 1.247 -6.330 1.00 4.33 C ATOM 1481 O THR A 100 24.136 1.424 -5.138 1.00 12.55 O ATOM 1482 CB THR A 100 25.872 2.952 -7.389 1.00 32.35 C ATOM 1483 OG1 THR A 100 25.862 4.348 -7.703 1.00 43.43 O ATOM 1484 CG2 THR A 100 26.665 2.195 -8.444 1.00 24.24 C ATOM 0 H THR A 100 23.368 3.550 -5.892 1.00 41.20 H new ATOM 0 HA THR A 100 24.115 2.081 -8.290 1.00 64.31 H new ATOM 0 HB THR A 100 26.349 2.802 -6.421 1.00 32.35 H new ATOM 0 HG1 THR A 100 26.783 4.678 -7.754 1.00 43.43 H new ATOM 0 HG21 THR A 100 27.681 2.588 -8.487 1.00 24.24 H new ATOM 0 HG22 THR A 100 26.696 1.136 -8.186 1.00 24.24 H new ATOM 0 HG23 THR A 100 26.187 2.318 -9.416 1.00 24.24 H new ATOM 1492 N VAL A 101 24.640 0.048 -6.845 1.00 52.41 N ATOM 1493 CA VAL A 101 24.634 -1.155 -6.023 1.00 61.41 C ATOM 1494 C VAL A 101 25.648 -2.174 -6.529 1.00 34.21 C ATOM 1495 O VAL A 101 26.230 -2.005 -7.602 1.00 42.20 O ATOM 1496 CB VAL A 101 23.239 -1.808 -5.990 1.00 53.10 C ATOM 1497 CG1 VAL A 101 22.186 -0.797 -5.566 1.00 70.05 C ATOM 1498 CG2 VAL A 101 22.901 -2.404 -7.348 1.00 5.25 C ATOM 0 H VAL A 101 24.850 -0.116 -7.830 1.00 52.41 H new ATOM 0 HA VAL A 101 24.906 -0.847 -5.013 1.00 61.41 H new ATOM 0 HB VAL A 101 23.250 -2.614 -5.256 1.00 53.10 H new ATOM 0 HG11 VAL A 101 21.207 -1.277 -5.549 1.00 70.05 H new ATOM 0 HG12 VAL A 101 22.423 -0.420 -4.571 1.00 70.05 H new ATOM 0 HG13 VAL A 101 22.171 0.032 -6.274 1.00 70.05 H new ATOM 0 HG21 VAL A 101 21.913 -2.862 -7.309 1.00 5.25 H new ATOM 0 HG22 VAL A 101 22.907 -1.617 -8.102 1.00 5.25 H new ATOM 0 HG23 VAL A 101 23.641 -3.161 -7.608 1.00 5.25 H new ATOM 1508 N SER A 102 25.856 -3.233 -5.753 1.00 74.12 N ATOM 1509 CA SER A 102 26.803 -4.278 -6.122 1.00 35.13 C ATOM 1510 C SER A 102 26.130 -5.646 -6.119 1.00 4.43 C ATOM 1511 O SER A 102 25.088 -5.838 -5.489 1.00 33.45 O ATOM 1512 CB SER A 102 27.993 -4.280 -5.160 1.00 43.24 C ATOM 1513 OG SER A 102 29.068 -5.043 -5.681 1.00 74.24 O ATOM 0 H SER A 102 25.381 -3.390 -4.864 1.00 74.12 H new ATOM 0 HA SER A 102 27.161 -4.071 -7.131 1.00 35.13 H new ATOM 0 HB2 SER A 102 28.322 -3.256 -4.982 1.00 43.24 H new ATOM 0 HB3 SER A 102 27.686 -4.688 -4.197 1.00 43.24 H new ATOM 0 HG SER A 102 28.944 -5.168 -6.645 1.00 74.24 H new ATOM 1519 N VAL A 103 26.731 -6.597 -6.828 1.00 15.30 N ATOM 1520 CA VAL A 103 26.190 -7.949 -6.908 1.00 73.44 C ATOM 1521 C VAL A 103 27.295 -8.990 -6.770 1.00 51.04 C ATOM 1522 O VAL A 103 28.462 -8.714 -7.046 1.00 35.03 O ATOM 1523 CB VAL A 103 25.447 -8.179 -8.236 1.00 51.15 C ATOM 1524 CG1 VAL A 103 24.543 -6.997 -8.554 1.00 21.45 C ATOM 1525 CG2 VAL A 103 26.436 -8.422 -9.366 1.00 20.15 C ATOM 0 H VAL A 103 27.593 -6.456 -7.355 1.00 15.30 H new ATOM 0 HA VAL A 103 25.485 -8.058 -6.083 1.00 73.44 H new ATOM 0 HB VAL A 103 24.823 -9.067 -8.133 1.00 51.15 H new ATOM 0 HG11 VAL A 103 24.026 -7.178 -9.496 1.00 21.45 H new ATOM 0 HG12 VAL A 103 23.811 -6.874 -7.756 1.00 21.45 H new ATOM 0 HG13 VAL A 103 25.144 -6.091 -8.638 1.00 21.45 H new ATOM 0 HG21 VAL A 103 25.892 -8.583 -10.297 1.00 20.15 H new ATOM 0 HG22 VAL A 103 27.088 -7.555 -9.471 1.00 20.15 H new ATOM 0 HG23 VAL A 103 27.037 -9.303 -9.140 1.00 20.15 H new ATOM 1535 N THR A 104 26.919 -10.190 -6.339 1.00 4.24 N ATOM 1536 CA THR A 104 27.877 -11.275 -6.163 1.00 74.31 C ATOM 1537 C THR A 104 27.299 -12.602 -6.637 1.00 43.53 C ATOM 1538 O THR A 104 26.093 -12.834 -6.546 1.00 44.01 O ATOM 1539 CB THR A 104 28.306 -11.411 -4.690 1.00 70.34 C ATOM 1540 OG1 THR A 104 28.107 -10.171 -4.003 1.00 75.05 O ATOM 1541 CG2 THR A 104 29.767 -11.824 -4.588 1.00 23.41 C ATOM 0 H THR A 104 25.957 -10.435 -6.105 1.00 4.24 H new ATOM 0 HA THR A 104 28.750 -11.027 -6.767 1.00 74.31 H new ATOM 0 HB THR A 104 27.692 -12.184 -4.227 1.00 70.34 H new ATOM 0 HG1 THR A 104 28.381 -10.268 -3.067 1.00 75.05 H new ATOM 0 HG21 THR A 104 30.047 -11.914 -3.538 1.00 23.41 H new ATOM 0 HG22 THR A 104 29.909 -12.784 -5.085 1.00 23.41 H new ATOM 0 HG23 THR A 104 30.392 -11.071 -5.067 1.00 23.41 H new ATOM 1549 N LYS A 105 28.165 -13.474 -7.142 1.00 41.30 N ATOM 1550 CA LYS A 105 27.740 -14.781 -7.630 1.00 34.34 C ATOM 1551 C LYS A 105 28.847 -15.815 -7.447 1.00 25.12 C ATOM 1552 O LYS A 105 30.036 -15.495 -7.454 1.00 32.12 O ATOM 1553 CB LYS A 105 27.347 -14.695 -9.107 1.00 62.50 C ATOM 1554 CG LYS A 105 25.880 -14.987 -9.363 1.00 2.52 C ATOM 1555 CD LYS A 105 25.240 -13.916 -10.229 1.00 11.24 C ATOM 1556 CE LYS A 105 24.293 -14.520 -11.255 1.00 53.13 C ATOM 1557 NZ LYS A 105 22.892 -14.570 -10.753 1.00 12.41 N ATOM 0 H LYS A 105 29.167 -13.299 -7.224 1.00 41.30 H new ATOM 0 HA LYS A 105 26.873 -15.094 -7.048 1.00 34.34 H new ATOM 0 HB2 LYS A 105 27.581 -13.697 -9.479 1.00 62.50 H new ATOM 0 HB3 LYS A 105 27.954 -15.398 -9.677 1.00 62.50 H new ATOM 0 HG2 LYS A 105 25.781 -15.957 -9.850 1.00 2.52 H new ATOM 0 HG3 LYS A 105 25.350 -15.052 -8.413 1.00 2.52 H new ATOM 0 HD2 LYS A 105 24.695 -13.214 -9.598 1.00 11.24 H new ATOM 0 HD3 LYS A 105 26.017 -13.348 -10.740 1.00 11.24 H new ATOM 0 HE2 LYS A 105 24.329 -13.933 -12.173 1.00 53.13 H new ATOM 0 HE3 LYS A 105 24.625 -15.527 -11.507 1.00 53.13 H new ATOM 0 HZ1 LYS A 105 22.277 -14.988 -11.480 1.00 12.41 H new ATOM 0 HZ2 LYS A 105 22.853 -15.151 -9.891 1.00 12.41 H new ATOM 0 HZ3 LYS A 105 22.566 -13.606 -10.536 1.00 12.41 H new ATOM 1571 N PRO A 106 28.450 -17.086 -7.279 1.00 52.43 N ATOM 1572 CA PRO A 106 29.392 -18.192 -7.093 1.00 22.11 C ATOM 1573 C PRO A 106 30.179 -18.503 -8.362 1.00 62.03 C ATOM 1574 O PRO A 106 29.870 -19.455 -9.079 1.00 3.44 O ATOM 1575 CB PRO A 106 28.487 -19.369 -6.723 1.00 2.54 C ATOM 1576 CG PRO A 106 27.165 -19.036 -7.323 1.00 53.43 C ATOM 1577 CD PRO A 106 27.049 -17.538 -7.259 1.00 11.30 C ATOM 0 HA PRO A 106 30.146 -17.963 -6.340 1.00 22.11 H new ATOM 0 HB2 PRO A 106 28.876 -20.307 -7.119 1.00 2.54 H new ATOM 0 HB3 PRO A 106 28.412 -19.486 -5.642 1.00 2.54 H new ATOM 0 HG2 PRO A 106 27.103 -19.389 -8.352 1.00 53.43 H new ATOM 0 HG3 PRO A 106 26.355 -19.514 -6.773 1.00 53.43 H new ATOM 0 HD2 PRO A 106 26.487 -17.142 -8.105 1.00 11.30 H new ATOM 0 HD3 PRO A 106 26.535 -17.213 -6.354 1.00 11.30 H new ATOM 1585 N CYS A 107 31.197 -17.693 -8.634 1.00 61.04 N ATOM 1586 CA CYS A 107 32.029 -17.881 -9.817 1.00 24.24 C ATOM 1587 C CYS A 107 33.487 -18.108 -9.425 1.00 74.15 C ATOM 1588 O CYS A 107 33.978 -17.531 -8.455 1.00 23.33 O ATOM 1589 CB CYS A 107 31.920 -16.668 -10.740 1.00 71.53 C ATOM 1590 SG CYS A 107 33.072 -16.700 -12.151 1.00 53.03 S ATOM 0 H CYS A 107 31.466 -16.900 -8.051 1.00 61.04 H new ATOM 0 HA CYS A 107 31.672 -18.764 -10.346 1.00 24.24 H new ATOM 0 HB2 CYS A 107 30.900 -16.604 -11.119 1.00 71.53 H new ATOM 0 HB3 CYS A 107 32.101 -15.765 -10.158 1.00 71.53 H new ATOM 1596 N THR A 108 34.175 -18.951 -10.189 1.00 64.51 N ATOM 1597 CA THR A 108 35.574 -19.254 -9.923 1.00 21.54 C ATOM 1598 C THR A 108 36.398 -19.223 -11.206 1.00 60.01 C ATOM 1599 O THR A 108 35.883 -19.487 -12.294 1.00 24.32 O ATOM 1600 CB THR A 108 35.734 -20.635 -9.258 1.00 62.44 C ATOM 1601 OG1 THR A 108 37.115 -21.016 -9.243 1.00 41.53 O ATOM 1602 CG2 THR A 108 34.920 -21.688 -9.997 1.00 61.10 C ATOM 0 H THR A 108 33.785 -19.436 -10.997 1.00 64.51 H new ATOM 0 HA THR A 108 35.939 -18.486 -9.241 1.00 21.54 H new ATOM 0 HB THR A 108 35.366 -20.566 -8.234 1.00 62.44 H new ATOM 0 HG1 THR A 108 37.208 -21.894 -8.817 1.00 41.53 H new ATOM 0 HG21 THR A 108 35.048 -22.655 -9.510 1.00 61.10 H new ATOM 0 HG22 THR A 108 33.866 -21.410 -9.981 1.00 61.10 H new ATOM 0 HG23 THR A 108 35.262 -21.754 -11.030 1.00 61.10 H new ATOM 1610 N THR A 109 37.680 -18.899 -11.073 1.00 51.31 N ATOM 1611 CA THR A 109 38.575 -18.832 -12.223 1.00 63.41 C ATOM 1612 C THR A 109 38.548 -20.134 -13.015 1.00 4.23 C ATOM 1613 O THR A 109 38.138 -20.159 -14.176 1.00 21.20 O ATOM 1614 CB THR A 109 40.024 -18.537 -11.790 1.00 10.34 C ATOM 1615 OG1 THR A 109 40.076 -18.313 -10.377 1.00 21.51 O ATOM 1616 CG2 THR A 109 40.569 -17.321 -12.523 1.00 73.33 C ATOM 0 H THR A 109 38.123 -18.679 -10.181 1.00 51.31 H new ATOM 0 HA THR A 109 38.220 -18.018 -12.855 1.00 63.41 H new ATOM 0 HB THR A 109 40.640 -19.400 -12.043 1.00 10.34 H new ATOM 0 HG1 THR A 109 39.737 -17.416 -10.175 1.00 21.51 H new ATOM 0 HG21 THR A 109 41.593 -17.131 -12.202 1.00 73.33 H new ATOM 0 HG22 THR A 109 40.554 -17.507 -13.597 1.00 73.33 H new ATOM 0 HG23 THR A 109 39.951 -16.452 -12.296 1.00 73.33 H new