USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 453 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 37 GLN : amide:sc= -0.213 K(o=0.21,f=-7.1!) USER MOD Set 1.2: A 58 SER OG : rot -89:sc= 0.422 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.412 USER MOD Single : A 25 ASN : amide:sc= -0.139 X(o=-0.14,f=0) USER MOD Single : A 28 HIS : no HD1:sc= -0.0139 X(o=-0.014,f=0) USER MOD Single : A 31 LYS NZ :NH3+ -160:sc= -0.0148 (180deg=-0.224) USER MOD Single : A 38 GLN : amide:sc= -1.15 X(o=-1.2,f=-1.6) USER MOD Single : A 39 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.743) USER MOD Single : A 41 HIS : no HE2:sc= -0.409 X(o=-0.41,f=-0.33) USER MOD Single : A 47 SER OG : rot 180:sc= -0.0589 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot -34:sc= 1.12 USER MOD Single : A 54 ASN :FLIP amide:sc= -1.2 F(o=-2.1,f=-1.2) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -162:sc= -0.172 (180deg=-0.577) USER MOD Single : A 65 GLN : amide:sc= 0.0232 X(o=0.023,f=-0.11) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0163 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 238 N LEU A 16 -18.868 -10.708 -12.744 1.00 33.43 N ATOM 239 CA LEU A 16 -20.212 -11.002 -13.229 1.00 52.44 C ATOM 240 C LEU A 16 -21.264 -10.284 -12.389 1.00 24.22 C ATOM 241 O LEU A 16 -22.183 -9.664 -12.922 1.00 55.43 O ATOM 242 CB LEU A 16 -20.466 -12.510 -13.206 1.00 55.23 C ATOM 243 CG LEU A 16 -20.563 -13.195 -14.570 1.00 35.12 C ATOM 244 CD1 LEU A 16 -19.289 -12.974 -15.370 1.00 72.31 C ATOM 245 CD2 LEU A 16 -20.838 -14.682 -14.401 1.00 34.21 C ATOM 0 HA LEU A 16 -20.287 -10.643 -14.256 1.00 52.44 H new ATOM 0 HB2 LEU A 16 -19.665 -12.985 -12.640 1.00 55.23 H new ATOM 0 HB3 LEU A 16 -21.393 -12.694 -12.663 1.00 55.23 H new ATOM 0 HG LEU A 16 -21.394 -12.752 -15.120 1.00 35.12 H new ATOM 0 HD11 LEU A 16 -19.376 -13.469 -16.337 1.00 72.31 H new ATOM 0 HD12 LEU A 16 -19.135 -11.906 -15.521 1.00 72.31 H new ATOM 0 HD13 LEU A 16 -18.441 -13.389 -14.826 1.00 72.31 H new ATOM 0 HD21 LEU A 16 -20.904 -15.154 -15.382 1.00 34.21 H new ATOM 0 HD22 LEU A 16 -20.029 -15.139 -13.832 1.00 34.21 H new ATOM 0 HD23 LEU A 16 -21.779 -14.820 -13.868 1.00 34.21 H new ATOM 257 N LYS A 17 -21.120 -10.372 -11.071 1.00 12.42 N ATOM 258 CA LYS A 17 -22.055 -9.728 -10.155 1.00 23.53 C ATOM 259 C LYS A 17 -22.178 -8.239 -10.460 1.00 62.10 C ATOM 260 O LYS A 17 -23.264 -7.665 -10.374 1.00 45.35 O ATOM 261 CB LYS A 17 -21.600 -9.927 -8.707 1.00 70.30 C ATOM 262 CG LYS A 17 -22.096 -11.222 -8.086 1.00 40.31 C ATOM 263 CD LYS A 17 -23.596 -11.186 -7.845 1.00 42.22 C ATOM 264 CE LYS A 17 -23.994 -12.074 -6.677 1.00 31.33 C ATOM 265 NZ LYS A 17 -25.465 -12.056 -6.442 1.00 65.21 N ATOM 0 H LYS A 17 -20.365 -10.883 -10.613 1.00 12.42 H new ATOM 0 HA LYS A 17 -23.033 -10.190 -10.290 1.00 23.53 H new ATOM 0 HB2 LYS A 17 -20.511 -9.911 -8.672 1.00 70.30 H new ATOM 0 HB3 LYS A 17 -21.951 -9.088 -8.106 1.00 70.30 H new ATOM 0 HG2 LYS A 17 -21.852 -12.058 -8.742 1.00 40.31 H new ATOM 0 HG3 LYS A 17 -21.579 -11.395 -7.142 1.00 40.31 H new ATOM 0 HD2 LYS A 17 -23.909 -10.161 -7.647 1.00 42.22 H new ATOM 0 HD3 LYS A 17 -24.118 -11.511 -8.745 1.00 42.22 H new ATOM 0 HE2 LYS A 17 -23.670 -13.096 -6.871 1.00 31.33 H new ATOM 0 HE3 LYS A 17 -23.478 -11.742 -5.776 1.00 31.33 H new ATOM 0 HZ1 LYS A 17 -25.696 -12.674 -5.638 1.00 65.21 H new ATOM 0 HZ2 LYS A 17 -25.771 -11.085 -6.232 1.00 65.21 H new ATOM 0 HZ3 LYS A 17 -25.957 -12.397 -7.293 1.00 65.21 H new ATOM 279 N LYS A 18 -21.059 -7.619 -10.818 1.00 3.42 N ATOM 280 CA LYS A 18 -21.041 -6.196 -11.139 1.00 22.41 C ATOM 281 C LYS A 18 -21.547 -5.953 -12.557 1.00 44.52 C ATOM 282 O LYS A 18 -22.240 -4.969 -12.819 1.00 40.24 O ATOM 283 CB LYS A 18 -19.625 -5.636 -10.988 1.00 22.14 C ATOM 284 CG LYS A 18 -18.645 -6.174 -12.016 1.00 23.12 C ATOM 285 CD LYS A 18 -17.255 -5.593 -11.819 1.00 2.51 C ATOM 286 CE LYS A 18 -16.940 -4.534 -12.865 1.00 15.45 C ATOM 287 NZ LYS A 18 -15.535 -4.631 -13.347 1.00 51.14 N ATOM 0 H LYS A 18 -20.152 -8.079 -10.893 1.00 3.42 H new ATOM 0 HA LYS A 18 -21.704 -5.683 -10.442 1.00 22.41 H new ATOM 0 HB2 LYS A 18 -19.663 -4.550 -11.068 1.00 22.14 H new ATOM 0 HB3 LYS A 18 -19.256 -5.869 -9.989 1.00 22.14 H new ATOM 0 HG2 LYS A 18 -18.600 -7.261 -11.943 1.00 23.12 H new ATOM 0 HG3 LYS A 18 -19.001 -5.936 -13.018 1.00 23.12 H new ATOM 0 HD2 LYS A 18 -17.180 -5.156 -10.823 1.00 2.51 H new ATOM 0 HD3 LYS A 18 -16.515 -6.391 -11.873 1.00 2.51 H new ATOM 0 HE2 LYS A 18 -17.622 -4.643 -13.709 1.00 15.45 H new ATOM 0 HE3 LYS A 18 -17.111 -3.544 -12.442 1.00 15.45 H new ATOM 0 HZ1 LYS A 18 -15.360 -3.893 -14.058 1.00 51.14 H new ATOM 0 HZ2 LYS A 18 -14.884 -4.502 -12.547 1.00 51.14 H new ATOM 0 HZ3 LYS A 18 -15.378 -5.566 -13.773 1.00 51.14 H new ATOM 301 N LEU A 19 -21.197 -6.854 -13.468 1.00 41.01 N ATOM 302 CA LEU A 19 -21.617 -6.737 -14.860 1.00 60.53 C ATOM 303 C LEU A 19 -23.132 -6.589 -14.961 1.00 63.25 C ATOM 304 O LEU A 19 -23.634 -5.647 -15.575 1.00 33.53 O ATOM 305 CB LEU A 19 -21.159 -7.961 -15.656 1.00 4.10 C ATOM 306 CG LEU A 19 -19.804 -7.838 -16.354 1.00 61.34 C ATOM 307 CD1 LEU A 19 -19.225 -9.215 -16.642 1.00 1.13 C ATOM 308 CD2 LEU A 19 -19.937 -7.035 -17.640 1.00 13.01 C ATOM 0 H LEU A 19 -20.624 -7.673 -13.268 1.00 41.01 H new ATOM 0 HA LEU A 19 -21.154 -5.844 -15.280 1.00 60.53 H new ATOM 0 HB2 LEU A 19 -21.121 -8.816 -14.981 1.00 4.10 H new ATOM 0 HB3 LEU A 19 -21.915 -8.183 -16.409 1.00 4.10 H new ATOM 0 HG LEU A 19 -19.121 -7.310 -15.688 1.00 61.34 H new ATOM 0 HD11 LEU A 19 -18.261 -9.108 -17.139 1.00 1.13 H new ATOM 0 HD12 LEU A 19 -19.092 -9.757 -15.706 1.00 1.13 H new ATOM 0 HD13 LEU A 19 -19.906 -9.768 -17.288 1.00 1.13 H new ATOM 0 HD21 LEU A 19 -18.963 -6.958 -18.123 1.00 13.01 H new ATOM 0 HD22 LEU A 19 -20.636 -7.535 -18.310 1.00 13.01 H new ATOM 0 HD23 LEU A 19 -20.307 -6.036 -17.409 1.00 13.01 H new ATOM 320 N VAL A 20 -23.855 -7.525 -14.354 1.00 3.43 N ATOM 321 CA VAL A 20 -25.312 -7.497 -14.372 1.00 53.53 C ATOM 322 C VAL A 20 -25.845 -6.216 -13.740 1.00 53.45 C ATOM 323 O VAL A 20 -26.934 -5.751 -14.079 1.00 12.04 O ATOM 324 CB VAL A 20 -25.906 -8.708 -13.630 1.00 35.14 C ATOM 325 CG1 VAL A 20 -25.687 -8.576 -12.130 1.00 52.43 C ATOM 326 CG2 VAL A 20 -27.386 -8.855 -13.949 1.00 74.04 C ATOM 0 H VAL A 20 -23.455 -8.312 -13.844 1.00 3.43 H new ATOM 0 HA VAL A 20 -25.616 -7.537 -15.418 1.00 53.53 H new ATOM 0 HB VAL A 20 -25.393 -9.607 -13.970 1.00 35.14 H new ATOM 0 HG11 VAL A 20 -26.114 -9.441 -11.622 1.00 52.43 H new ATOM 0 HG12 VAL A 20 -24.618 -8.523 -11.922 1.00 52.43 H new ATOM 0 HG13 VAL A 20 -26.172 -7.669 -11.770 1.00 52.43 H new ATOM 0 HG21 VAL A 20 -27.789 -9.716 -13.416 1.00 74.04 H new ATOM 0 HG22 VAL A 20 -27.916 -7.955 -13.638 1.00 74.04 H new ATOM 0 HG23 VAL A 20 -27.514 -9.000 -15.022 1.00 74.04 H new ATOM 336 N ASP A 21 -25.071 -5.649 -12.822 1.00 21.01 N ATOM 337 CA ASP A 21 -25.464 -4.420 -12.143 1.00 10.30 C ATOM 338 C ASP A 21 -25.250 -3.208 -13.045 1.00 62.31 C ATOM 339 O ASP A 21 -26.089 -2.310 -13.106 1.00 52.40 O ATOM 340 CB ASP A 21 -24.671 -4.252 -10.846 1.00 43.01 C ATOM 341 CG ASP A 21 -25.266 -3.196 -9.936 1.00 1.22 C ATOM 342 OD1 ASP A 21 -26.435 -2.814 -10.154 1.00 71.40 O ATOM 343 OD2 ASP A 21 -24.563 -2.751 -9.005 1.00 22.23 O ATOM 0 H ASP A 21 -24.167 -6.021 -12.531 1.00 21.01 H new ATOM 0 HA ASP A 21 -26.525 -4.490 -11.904 1.00 10.30 H new ATOM 0 HB2 ASP A 21 -24.637 -5.205 -10.318 1.00 43.01 H new ATOM 0 HB3 ASP A 21 -23.642 -3.983 -11.085 1.00 43.01 H new ATOM 348 N LYS A 22 -24.120 -3.190 -13.744 1.00 60.01 N ATOM 349 CA LYS A 22 -23.794 -2.090 -14.644 1.00 0.23 C ATOM 350 C LYS A 22 -24.201 -2.420 -16.076 1.00 42.43 C ATOM 351 O LYS A 22 -23.672 -1.847 -17.029 1.00 62.24 O ATOM 352 CB LYS A 22 -22.296 -1.783 -14.585 1.00 62.15 C ATOM 353 CG LYS A 22 -21.786 -1.506 -13.182 1.00 23.22 C ATOM 354 CD LYS A 22 -20.289 -1.746 -13.075 1.00 31.21 C ATOM 355 CE LYS A 22 -19.505 -0.775 -13.945 1.00 34.14 C ATOM 356 NZ LYS A 22 -18.039 -0.878 -13.708 1.00 2.35 N ATOM 0 H LYS A 22 -23.414 -3.925 -13.704 1.00 60.01 H new ATOM 0 HA LYS A 22 -24.351 -1.211 -14.321 1.00 0.23 H new ATOM 0 HB2 LYS A 22 -21.745 -2.625 -15.003 1.00 62.15 H new ATOM 0 HB3 LYS A 22 -22.086 -0.919 -15.216 1.00 62.15 H new ATOM 0 HG2 LYS A 22 -22.010 -0.475 -12.909 1.00 23.22 H new ATOM 0 HG3 LYS A 22 -22.310 -2.145 -12.471 1.00 23.22 H new ATOM 0 HD2 LYS A 22 -19.976 -1.640 -12.036 1.00 31.21 H new ATOM 0 HD3 LYS A 22 -20.061 -2.769 -13.374 1.00 31.21 H new ATOM 0 HE2 LYS A 22 -19.718 -0.975 -14.995 1.00 34.14 H new ATOM 0 HE3 LYS A 22 -19.835 0.244 -13.741 1.00 34.14 H new ATOM 0 HZ1 LYS A 22 -17.540 -0.201 -14.319 1.00 2.35 H new ATOM 0 HZ2 LYS A 22 -17.832 -0.663 -12.712 1.00 2.35 H new ATOM 0 HZ3 LYS A 22 -17.719 -1.843 -13.927 1.00 2.35 H new ATOM 370 N TYR A 23 -25.144 -3.344 -16.221 1.00 23.04 N ATOM 371 CA TYR A 23 -25.621 -3.750 -17.537 1.00 64.23 C ATOM 372 C TYR A 23 -26.213 -2.564 -18.292 1.00 30.00 C ATOM 373 O TYR A 23 -25.947 -2.374 -19.479 1.00 2.53 O ATOM 374 CB TYR A 23 -26.667 -4.858 -17.404 1.00 64.34 C ATOM 375 CG TYR A 23 -27.250 -5.302 -18.727 1.00 24.41 C ATOM 376 CD1 TYR A 23 -28.303 -4.611 -19.312 1.00 34.05 C ATOM 377 CD2 TYR A 23 -26.746 -6.413 -19.392 1.00 64.35 C ATOM 378 CE1 TYR A 23 -28.839 -5.014 -20.519 1.00 54.23 C ATOM 379 CE2 TYR A 23 -27.275 -6.822 -20.601 1.00 65.54 C ATOM 380 CZ TYR A 23 -28.322 -6.120 -21.160 1.00 45.24 C ATOM 381 OH TYR A 23 -28.852 -6.523 -22.364 1.00 62.43 O ATOM 0 H TYR A 23 -25.593 -3.826 -15.443 1.00 23.04 H new ATOM 0 HA TYR A 23 -24.770 -4.129 -18.103 1.00 64.23 H new ATOM 0 HB2 TYR A 23 -26.213 -5.717 -16.910 1.00 64.34 H new ATOM 0 HB3 TYR A 23 -27.474 -4.509 -16.760 1.00 64.34 H new ATOM 0 HD1 TYR A 23 -28.710 -3.743 -18.814 1.00 34.05 H new ATOM 0 HD2 TYR A 23 -25.927 -6.966 -18.957 1.00 64.35 H new ATOM 0 HE1 TYR A 23 -29.659 -4.466 -20.959 1.00 54.23 H new ATOM 0 HE2 TYR A 23 -26.871 -7.687 -21.106 1.00 65.54 H new ATOM 0 HH TYR A 23 -28.374 -7.317 -22.682 1.00 62.43 H new ATOM 391 N ARG A 24 -27.017 -1.769 -17.594 1.00 35.11 N ATOM 392 CA ARG A 24 -27.649 -0.601 -18.197 1.00 22.43 C ATOM 393 C ARG A 24 -26.783 0.641 -18.011 1.00 50.31 C ATOM 394 O ARG A 24 -27.232 1.763 -18.243 1.00 60.23 O ATOM 395 CB ARG A 24 -29.031 -0.369 -17.584 1.00 31.22 C ATOM 396 CG ARG A 24 -29.996 -1.523 -17.802 1.00 62.32 C ATOM 397 CD ARG A 24 -29.928 -2.529 -16.664 1.00 11.15 C ATOM 398 NE ARG A 24 -31.170 -3.285 -16.526 1.00 52.31 N ATOM 399 CZ ARG A 24 -32.258 -2.809 -15.929 1.00 65.23 C ATOM 400 NH1 ARG A 24 -32.256 -1.586 -15.418 1.00 22.02 N ATOM 401 NH2 ARG A 24 -33.350 -3.558 -15.844 1.00 1.32 N ATOM 0 H ARG A 24 -27.246 -1.912 -16.610 1.00 35.11 H new ATOM 0 HA ARG A 24 -27.760 -0.789 -19.265 1.00 22.43 H new ATOM 0 HB2 ARG A 24 -28.920 -0.197 -16.513 1.00 31.22 H new ATOM 0 HB3 ARG A 24 -29.460 0.538 -18.010 1.00 31.22 H new ATOM 0 HG2 ARG A 24 -31.012 -1.138 -17.888 1.00 62.32 H new ATOM 0 HG3 ARG A 24 -29.763 -2.021 -18.743 1.00 62.32 H new ATOM 0 HD2 ARG A 24 -29.102 -3.218 -16.838 1.00 11.15 H new ATOM 0 HD3 ARG A 24 -29.716 -2.007 -15.731 1.00 11.15 H new ATOM 0 HE ARG A 24 -31.204 -4.230 -16.909 1.00 52.31 H new ATOM 0 HH11 ARG A 24 -31.418 -1.008 -15.482 1.00 22.02 H new ATOM 0 HH12 ARG A 24 -33.092 -1.223 -14.960 1.00 22.02 H new ATOM 0 HH21 ARG A 24 -33.355 -4.499 -16.237 1.00 1.32 H new ATOM 0 HH22 ARG A 24 -34.185 -3.192 -15.386 1.00 1.32 H new ATOM 415 N ASN A 25 -25.540 0.432 -17.590 1.00 43.54 N ATOM 416 CA ASN A 25 -24.611 1.536 -17.372 1.00 71.24 C ATOM 417 C ASN A 25 -23.666 1.694 -18.559 1.00 40.05 C ATOM 418 O ASN A 25 -23.315 2.810 -18.942 1.00 40.31 O ATOM 419 CB ASN A 25 -23.806 1.306 -16.092 1.00 3.51 C ATOM 420 CG ASN A 25 -24.557 1.746 -14.850 1.00 21.42 C ATOM 421 OD1 ASN A 25 -24.122 2.648 -14.135 1.00 13.43 O ATOM 422 ND2 ASN A 25 -25.691 1.106 -14.588 1.00 11.52 N ATOM 0 H ASN A 25 -25.152 -0.491 -17.393 1.00 43.54 H new ATOM 0 HA ASN A 25 -25.192 2.452 -17.269 1.00 71.24 H new ATOM 0 HB2 ASN A 25 -23.558 0.248 -16.007 1.00 3.51 H new ATOM 0 HB3 ASN A 25 -22.864 1.851 -16.156 1.00 3.51 H new ATOM 0 HD21 ASN A 25 -26.240 1.357 -13.765 1.00 11.52 H new ATOM 0 HD22 ASN A 25 -26.013 0.364 -15.209 1.00 11.52 H new ATOM 429 N ASP A 26 -23.258 0.570 -19.138 1.00 35.20 N ATOM 430 CA ASP A 26 -22.355 0.583 -20.283 1.00 33.21 C ATOM 431 C ASP A 26 -22.950 -0.195 -21.453 1.00 23.33 C ATOM 432 O ASP A 26 -23.379 -1.338 -21.296 1.00 2.22 O ATOM 433 CB ASP A 26 -20.999 -0.010 -19.897 1.00 12.44 C ATOM 434 CG ASP A 26 -19.992 1.055 -19.508 1.00 31.23 C ATOM 435 OD1 ASP A 26 -20.407 2.212 -19.289 1.00 31.24 O ATOM 436 OD2 ASP A 26 -18.789 0.731 -19.423 1.00 63.12 O ATOM 0 H ASP A 26 -23.538 -0.362 -18.833 1.00 35.20 H new ATOM 0 HA ASP A 26 -22.215 1.619 -20.592 1.00 33.21 H new ATOM 0 HB2 ASP A 26 -21.132 -0.702 -19.065 1.00 12.44 H new ATOM 0 HB3 ASP A 26 -20.607 -0.589 -20.734 1.00 12.44 H new ATOM 441 N GLU A 27 -22.972 0.432 -22.624 1.00 41.53 N ATOM 442 CA GLU A 27 -23.516 -0.201 -23.820 1.00 23.34 C ATOM 443 C GLU A 27 -22.683 -1.417 -24.218 1.00 13.15 C ATOM 444 O GLU A 27 -23.214 -2.413 -24.710 1.00 53.44 O ATOM 445 CB GLU A 27 -23.564 0.798 -24.977 1.00 1.40 C ATOM 446 CG GLU A 27 -22.253 1.533 -25.202 1.00 11.25 C ATOM 447 CD GLU A 27 -22.371 3.025 -24.957 1.00 12.12 C ATOM 448 OE1 GLU A 27 -23.099 3.696 -25.718 1.00 45.12 O ATOM 449 OE2 GLU A 27 -21.736 3.521 -24.003 1.00 2.22 O ATOM 0 H GLU A 27 -22.620 1.378 -22.771 1.00 41.53 H new ATOM 0 HA GLU A 27 -24.529 -0.533 -23.595 1.00 23.34 H new ATOM 0 HB2 GLU A 27 -23.836 0.270 -25.891 1.00 1.40 H new ATOM 0 HB3 GLU A 27 -24.351 1.527 -24.784 1.00 1.40 H new ATOM 0 HG2 GLU A 27 -21.491 1.119 -24.542 1.00 11.25 H new ATOM 0 HG3 GLU A 27 -21.916 1.362 -26.224 1.00 11.25 H new ATOM 456 N HIS A 28 -21.375 -1.328 -24.000 1.00 41.54 N ATOM 457 CA HIS A 28 -20.468 -2.419 -24.336 1.00 21.51 C ATOM 458 C HIS A 28 -20.730 -3.634 -23.451 1.00 25.41 C ATOM 459 O HIS A 28 -20.510 -4.774 -23.862 1.00 54.24 O ATOM 460 CB HIS A 28 -19.015 -1.968 -24.186 1.00 21.11 C ATOM 461 CG HIS A 28 -18.538 -1.101 -25.310 1.00 61.12 C ATOM 462 ND1 HIS A 28 -17.219 -0.731 -25.468 1.00 20.01 N ATOM 463 CD2 HIS A 28 -19.212 -0.532 -26.337 1.00 11.23 C ATOM 464 CE1 HIS A 28 -17.103 0.030 -26.542 1.00 22.33 C ATOM 465 NE2 HIS A 28 -18.298 0.166 -27.087 1.00 61.44 N ATOM 0 H HIS A 28 -20.920 -0.512 -23.592 1.00 41.54 H new ATOM 0 HA HIS A 28 -20.647 -2.701 -25.374 1.00 21.51 H new ATOM 0 HB2 HIS A 28 -18.907 -1.424 -23.248 1.00 21.11 H new ATOM 0 HB3 HIS A 28 -18.375 -2.848 -24.120 1.00 21.11 H new ATOM 0 HD2 HIS A 28 -20.272 -0.612 -26.530 1.00 11.23 H new ATOM 0 HE1 HIS A 28 -16.187 0.466 -26.911 1.00 22.33 H new ATOM 0 HE2 HIS A 28 -18.508 0.703 -27.929 1.00 61.44 H new ATOM 474 N VAL A 29 -21.199 -3.383 -22.233 1.00 22.32 N ATOM 475 CA VAL A 29 -21.490 -4.456 -21.290 1.00 34.23 C ATOM 476 C VAL A 29 -22.729 -5.238 -21.713 1.00 30.14 C ATOM 477 O VAL A 29 -22.819 -6.446 -21.492 1.00 4.14 O ATOM 478 CB VAL A 29 -21.704 -3.909 -19.866 1.00 25.33 C ATOM 479 CG1 VAL A 29 -22.076 -5.034 -18.912 1.00 11.13 C ATOM 480 CG2 VAL A 29 -20.458 -3.181 -19.383 1.00 53.44 C ATOM 0 H VAL A 29 -21.386 -2.446 -21.876 1.00 22.32 H new ATOM 0 HA VAL A 29 -20.626 -5.121 -21.290 1.00 34.23 H new ATOM 0 HB VAL A 29 -22.529 -3.196 -19.889 1.00 25.33 H new ATOM 0 HG11 VAL A 29 -22.223 -4.628 -17.911 1.00 11.13 H new ATOM 0 HG12 VAL A 29 -22.997 -5.508 -19.250 1.00 11.13 H new ATOM 0 HG13 VAL A 29 -21.275 -5.772 -18.890 1.00 11.13 H new ATOM 0 HG21 VAL A 29 -20.626 -2.801 -18.375 1.00 53.44 H new ATOM 0 HG22 VAL A 29 -19.614 -3.871 -19.374 1.00 53.44 H new ATOM 0 HG23 VAL A 29 -20.240 -2.349 -20.053 1.00 53.44 H new ATOM 490 N ARG A 30 -23.682 -4.541 -22.322 1.00 73.14 N ATOM 491 CA ARG A 30 -24.917 -5.170 -22.776 1.00 41.11 C ATOM 492 C ARG A 30 -24.635 -6.192 -23.873 1.00 60.32 C ATOM 493 O ARG A 30 -25.025 -7.355 -23.769 1.00 33.34 O ATOM 494 CB ARG A 30 -25.895 -4.111 -23.290 1.00 24.33 C ATOM 495 CG ARG A 30 -26.477 -3.236 -22.192 1.00 22.22 C ATOM 496 CD ARG A 30 -27.819 -2.649 -22.600 1.00 61.22 C ATOM 497 NE ARG A 30 -27.665 -1.442 -23.408 1.00 33.30 N ATOM 498 CZ ARG A 30 -28.683 -0.798 -23.968 1.00 33.13 C ATOM 499 NH1 ARG A 30 -29.922 -1.243 -23.808 1.00 11.23 N ATOM 500 NH2 ARG A 30 -28.463 0.294 -24.689 1.00 32.31 N ATOM 0 H ARG A 30 -23.623 -3.541 -22.513 1.00 73.14 H new ATOM 0 HA ARG A 30 -25.365 -5.687 -21.928 1.00 41.11 H new ATOM 0 HB2 ARG A 30 -25.384 -3.478 -24.015 1.00 24.33 H new ATOM 0 HB3 ARG A 30 -26.710 -4.607 -23.818 1.00 24.33 H new ATOM 0 HG2 ARG A 30 -26.597 -3.824 -21.282 1.00 22.22 H new ATOM 0 HG3 ARG A 30 -25.781 -2.430 -21.961 1.00 22.22 H new ATOM 0 HD2 ARG A 30 -28.384 -3.392 -23.163 1.00 61.22 H new ATOM 0 HD3 ARG A 30 -28.399 -2.416 -21.707 1.00 61.22 H new ATOM 0 HE ARG A 30 -26.725 -1.074 -23.550 1.00 33.30 H new ATOM 0 HH11 ARG A 30 -30.095 -2.082 -23.254 1.00 11.23 H new ATOM 0 HH12 ARG A 30 -30.702 -0.747 -24.239 1.00 11.23 H new ATOM 0 HH21 ARG A 30 -27.511 0.640 -24.814 1.00 32.31 H new ATOM 0 HH22 ARG A 30 -29.245 0.788 -25.119 1.00 32.31 H new ATOM 514 N LYS A 31 -23.955 -5.751 -24.926 1.00 10.42 N ATOM 515 CA LYS A 31 -23.619 -6.626 -26.043 1.00 15.33 C ATOM 516 C LYS A 31 -22.751 -7.791 -25.579 1.00 40.22 C ATOM 517 O LYS A 31 -22.872 -8.907 -26.083 1.00 62.45 O ATOM 518 CB LYS A 31 -22.893 -5.837 -27.135 1.00 31.22 C ATOM 519 CG LYS A 31 -21.452 -5.506 -26.789 1.00 43.31 C ATOM 520 CD LYS A 31 -20.758 -4.780 -27.929 1.00 45.32 C ATOM 521 CE LYS A 31 -20.135 -5.757 -28.915 1.00 51.41 C ATOM 522 NZ LYS A 31 -18.946 -6.444 -28.339 1.00 50.32 N ATOM 0 H LYS A 31 -23.625 -4.791 -25.029 1.00 10.42 H new ATOM 0 HA LYS A 31 -24.547 -7.027 -26.450 1.00 15.33 H new ATOM 0 HB2 LYS A 31 -22.913 -6.412 -28.061 1.00 31.22 H new ATOM 0 HB3 LYS A 31 -23.435 -4.910 -27.323 1.00 31.22 H new ATOM 0 HG2 LYS A 31 -21.425 -4.887 -25.892 1.00 43.31 H new ATOM 0 HG3 LYS A 31 -20.912 -6.424 -26.559 1.00 43.31 H new ATOM 0 HD2 LYS A 31 -21.476 -4.146 -28.448 1.00 45.32 H new ATOM 0 HD3 LYS A 31 -19.985 -4.124 -27.527 1.00 45.32 H new ATOM 0 HE2 LYS A 31 -20.877 -6.500 -29.208 1.00 51.41 H new ATOM 0 HE3 LYS A 31 -19.843 -5.224 -29.820 1.00 51.41 H new ATOM 0 HZ1 LYS A 31 -18.360 -6.827 -29.108 1.00 50.32 H new ATOM 0 HZ2 LYS A 31 -18.388 -5.765 -27.783 1.00 50.32 H new ATOM 0 HZ3 LYS A 31 -19.259 -7.221 -27.723 1.00 50.32 H new ATOM 536 N VAL A 32 -21.876 -7.524 -24.615 1.00 11.14 N ATOM 537 CA VAL A 32 -20.989 -8.551 -24.081 1.00 53.11 C ATOM 538 C VAL A 32 -21.762 -9.561 -23.241 1.00 23.44 C ATOM 539 O VAL A 32 -21.720 -10.764 -23.502 1.00 41.31 O ATOM 540 CB VAL A 32 -19.869 -7.934 -23.222 1.00 73.41 C ATOM 541 CG1 VAL A 32 -19.128 -9.018 -22.453 1.00 54.50 C ATOM 542 CG2 VAL A 32 -18.910 -7.135 -24.092 1.00 32.45 C ATOM 0 H VAL A 32 -21.762 -6.605 -24.188 1.00 11.14 H new ATOM 0 HA VAL A 32 -20.542 -9.060 -24.935 1.00 53.11 H new ATOM 0 HB VAL A 32 -20.321 -7.254 -22.500 1.00 73.41 H new ATOM 0 HG11 VAL A 32 -18.340 -8.564 -21.852 1.00 54.50 H new ATOM 0 HG12 VAL A 32 -19.826 -9.543 -21.800 1.00 54.50 H new ATOM 0 HG13 VAL A 32 -18.686 -9.725 -23.155 1.00 54.50 H new ATOM 0 HG21 VAL A 32 -18.125 -6.706 -23.469 1.00 32.45 H new ATOM 0 HG22 VAL A 32 -18.463 -7.792 -24.838 1.00 32.45 H new ATOM 0 HG23 VAL A 32 -19.454 -6.334 -24.593 1.00 32.45 H new ATOM 552 N PHE A 33 -22.467 -9.065 -22.230 1.00 33.44 N ATOM 553 CA PHE A 33 -23.250 -9.925 -21.349 1.00 62.11 C ATOM 554 C PHE A 33 -24.343 -10.650 -22.128 1.00 71.41 C ATOM 555 O PHE A 33 -24.761 -11.747 -21.757 1.00 61.52 O ATOM 556 CB PHE A 33 -23.873 -9.102 -20.220 1.00 20.13 C ATOM 557 CG PHE A 33 -23.913 -9.824 -18.903 1.00 71.34 C ATOM 558 CD1 PHE A 33 -22.777 -9.918 -18.115 1.00 75.30 C ATOM 559 CD2 PHE A 33 -25.086 -10.409 -18.454 1.00 53.41 C ATOM 560 CE1 PHE A 33 -22.812 -10.583 -16.904 1.00 24.02 C ATOM 561 CE2 PHE A 33 -25.127 -11.074 -17.243 1.00 65.24 C ATOM 562 CZ PHE A 33 -23.988 -11.161 -16.467 1.00 3.42 C ATOM 0 H PHE A 33 -22.513 -8.072 -22.000 1.00 33.44 H new ATOM 0 HA PHE A 33 -22.580 -10.669 -20.919 1.00 62.11 H new ATOM 0 HB2 PHE A 33 -23.308 -8.177 -20.101 1.00 20.13 H new ATOM 0 HB3 PHE A 33 -24.888 -8.822 -20.503 1.00 20.13 H new ATOM 0 HD1 PHE A 33 -21.855 -9.467 -18.451 1.00 75.30 H new ATOM 0 HD2 PHE A 33 -25.979 -10.345 -19.058 1.00 53.41 H new ATOM 0 HE1 PHE A 33 -21.920 -10.651 -16.299 1.00 24.02 H new ATOM 0 HE2 PHE A 33 -26.048 -11.525 -16.904 1.00 65.24 H new ATOM 0 HZ PHE A 33 -24.017 -11.680 -15.520 1.00 3.42 H new ATOM 572 N ASP A 34 -24.802 -10.029 -23.209 1.00 31.21 N ATOM 573 CA ASP A 34 -25.847 -10.615 -24.042 1.00 5.55 C ATOM 574 C ASP A 34 -25.325 -11.840 -24.786 1.00 12.21 C ATOM 575 O ASP A 34 -25.962 -12.892 -24.790 1.00 33.53 O ATOM 576 CB ASP A 34 -26.372 -9.581 -25.040 1.00 22.45 C ATOM 577 CG ASP A 34 -27.121 -10.219 -26.193 1.00 35.24 C ATOM 578 OD1 ASP A 34 -26.460 -10.757 -27.106 1.00 12.03 O ATOM 579 OD2 ASP A 34 -28.369 -10.181 -26.181 1.00 75.55 O ATOM 0 H ASP A 34 -24.467 -9.120 -23.529 1.00 31.21 H new ATOM 0 HA ASP A 34 -26.664 -10.928 -23.392 1.00 5.55 H new ATOM 0 HB2 ASP A 34 -27.032 -8.884 -24.523 1.00 22.45 H new ATOM 0 HB3 ASP A 34 -25.536 -9.000 -25.430 1.00 22.45 H new ATOM 584 N GLU A 35 -24.163 -11.694 -25.415 1.00 55.34 N ATOM 585 CA GLU A 35 -23.558 -12.789 -26.165 1.00 14.43 C ATOM 586 C GLU A 35 -23.149 -13.925 -25.232 1.00 70.12 C ATOM 587 O GLU A 35 -23.293 -15.101 -25.569 1.00 44.33 O ATOM 588 CB GLU A 35 -22.340 -12.290 -26.945 1.00 30.23 C ATOM 589 CG GLU A 35 -22.680 -11.747 -28.322 1.00 62.25 C ATOM 590 CD GLU A 35 -21.548 -11.925 -29.315 1.00 64.33 C ATOM 591 OE1 GLU A 35 -20.430 -11.446 -29.033 1.00 64.33 O ATOM 592 OE2 GLU A 35 -21.780 -12.545 -30.375 1.00 14.53 O ATOM 0 H GLU A 35 -23.622 -10.829 -25.420 1.00 55.34 H new ATOM 0 HA GLU A 35 -24.299 -13.168 -26.868 1.00 14.43 H new ATOM 0 HB2 GLU A 35 -21.845 -11.509 -26.368 1.00 30.23 H new ATOM 0 HB3 GLU A 35 -21.628 -13.108 -27.052 1.00 30.23 H new ATOM 0 HG2 GLU A 35 -23.570 -12.251 -28.698 1.00 62.25 H new ATOM 0 HG3 GLU A 35 -22.924 -10.688 -28.241 1.00 62.25 H new ATOM 599 N ILE A 36 -22.638 -13.565 -24.059 1.00 74.35 N ATOM 600 CA ILE A 36 -22.209 -14.554 -23.078 1.00 43.14 C ATOM 601 C ILE A 36 -23.404 -15.281 -22.471 1.00 64.33 C ATOM 602 O ILE A 36 -23.332 -16.474 -22.177 1.00 24.02 O ATOM 603 CB ILE A 36 -21.388 -13.905 -21.948 1.00 33.33 C ATOM 604 CG1 ILE A 36 -20.137 -13.233 -22.517 1.00 32.11 C ATOM 605 CG2 ILE A 36 -21.009 -14.946 -20.905 1.00 11.24 C ATOM 606 CD1 ILE A 36 -19.494 -12.249 -21.565 1.00 52.22 C ATOM 0 H ILE A 36 -22.511 -12.596 -23.765 1.00 74.35 H new ATOM 0 HA ILE A 36 -21.581 -15.272 -23.606 1.00 43.14 H new ATOM 0 HB ILE A 36 -21.999 -13.142 -21.467 1.00 33.33 H new ATOM 0 HG12 ILE A 36 -19.409 -14.001 -22.779 1.00 32.11 H new ATOM 0 HG13 ILE A 36 -20.400 -12.715 -23.439 1.00 32.11 H new ATOM 0 HG21 ILE A 36 -20.429 -14.473 -20.113 1.00 11.24 H new ATOM 0 HG22 ILE A 36 -21.913 -15.383 -20.481 1.00 11.24 H new ATOM 0 HG23 ILE A 36 -20.413 -15.729 -21.373 1.00 11.24 H new ATOM 0 HD11 ILE A 36 -18.613 -11.811 -22.034 1.00 52.22 H new ATOM 0 HD12 ILE A 36 -20.206 -11.460 -21.322 1.00 52.22 H new ATOM 0 HD13 ILE A 36 -19.199 -12.766 -20.652 1.00 52.22 H new ATOM 618 N GLN A 37 -24.501 -14.555 -22.289 1.00 15.20 N ATOM 619 CA GLN A 37 -25.713 -15.132 -21.718 1.00 43.10 C ATOM 620 C GLN A 37 -26.302 -16.189 -22.646 1.00 41.12 C ATOM 621 O GLN A 37 -26.807 -17.215 -22.191 1.00 65.04 O ATOM 622 CB GLN A 37 -26.747 -14.037 -21.450 1.00 73.44 C ATOM 623 CG GLN A 37 -26.616 -13.399 -20.077 1.00 43.53 C ATOM 624 CD GLN A 37 -27.564 -12.232 -19.883 1.00 41.21 C ATOM 625 OE1 GLN A 37 -28.362 -12.215 -18.946 1.00 0.24 O ATOM 626 NE2 GLN A 37 -27.481 -11.248 -20.771 1.00 15.43 N ATOM 0 H GLN A 37 -24.577 -13.566 -22.528 1.00 15.20 H new ATOM 0 HA GLN A 37 -25.448 -15.610 -20.775 1.00 43.10 H new ATOM 0 HB2 GLN A 37 -26.650 -13.263 -22.212 1.00 73.44 H new ATOM 0 HB3 GLN A 37 -27.746 -14.460 -21.551 1.00 73.44 H new ATOM 0 HG2 GLN A 37 -26.809 -14.150 -19.311 1.00 43.53 H new ATOM 0 HG3 GLN A 37 -25.591 -13.057 -19.936 1.00 43.53 H new ATOM 0 HE21 GLN A 37 -26.804 -11.304 -21.532 1.00 15.43 H new ATOM 0 HE22 GLN A 37 -28.094 -10.436 -20.692 1.00 15.43 H new ATOM 635 N GLN A 38 -26.234 -15.930 -23.948 1.00 70.31 N ATOM 636 CA GLN A 38 -26.762 -16.860 -24.940 1.00 11.23 C ATOM 637 C GLN A 38 -25.864 -18.085 -25.070 1.00 24.20 C ATOM 638 O GLN A 38 -26.318 -19.220 -24.925 1.00 32.23 O ATOM 639 CB GLN A 38 -26.900 -16.167 -26.297 1.00 21.15 C ATOM 640 CG GLN A 38 -27.995 -15.113 -26.333 1.00 44.11 C ATOM 641 CD GLN A 38 -29.353 -15.694 -26.674 1.00 42.40 C ATOM 642 OE1 GLN A 38 -29.840 -15.546 -27.795 1.00 72.12 O ATOM 643 NE2 GLN A 38 -29.972 -16.359 -25.706 1.00 54.21 N ATOM 0 H GLN A 38 -25.819 -15.085 -24.340 1.00 70.31 H new ATOM 0 HA GLN A 38 -27.746 -17.188 -24.606 1.00 11.23 H new ATOM 0 HB2 GLN A 38 -25.949 -15.701 -26.556 1.00 21.15 H new ATOM 0 HB3 GLN A 38 -27.105 -16.918 -27.060 1.00 21.15 H new ATOM 0 HG2 GLN A 38 -28.049 -14.617 -25.364 1.00 44.11 H new ATOM 0 HG3 GLN A 38 -27.736 -14.350 -27.067 1.00 44.11 H new ATOM 0 HE21 GLN A 38 -29.531 -16.457 -24.792 1.00 54.21 H new ATOM 0 HE22 GLN A 38 -30.889 -16.772 -25.877 1.00 54.21 H new ATOM 652 N LYS A 39 -24.585 -17.849 -25.345 1.00 54.13 N ATOM 653 CA LYS A 39 -23.621 -18.933 -25.495 1.00 14.53 C ATOM 654 C LYS A 39 -23.582 -19.802 -24.242 1.00 43.10 C ATOM 655 O LYS A 39 -23.363 -21.012 -24.320 1.00 41.42 O ATOM 656 CB LYS A 39 -22.228 -18.367 -25.781 1.00 32.54 C ATOM 657 CG LYS A 39 -21.544 -17.786 -24.555 1.00 73.32 C ATOM 658 CD LYS A 39 -20.262 -17.059 -24.924 1.00 70.44 C ATOM 659 CE LYS A 39 -19.112 -18.032 -25.140 1.00 14.23 C ATOM 660 NZ LYS A 39 -19.002 -18.453 -26.564 1.00 23.02 N ATOM 0 H LYS A 39 -24.192 -16.916 -25.469 1.00 54.13 H new ATOM 0 HA LYS A 39 -23.934 -19.552 -26.336 1.00 14.53 H new ATOM 0 HB2 LYS A 39 -21.602 -19.157 -26.196 1.00 32.54 H new ATOM 0 HB3 LYS A 39 -22.309 -17.592 -26.543 1.00 32.54 H new ATOM 0 HG2 LYS A 39 -22.222 -17.097 -24.051 1.00 73.32 H new ATOM 0 HG3 LYS A 39 -21.320 -18.586 -23.849 1.00 73.32 H new ATOM 0 HD2 LYS A 39 -20.421 -16.475 -25.831 1.00 70.44 H new ATOM 0 HD3 LYS A 39 -20.001 -16.355 -24.134 1.00 70.44 H new ATOM 0 HE2 LYS A 39 -18.178 -17.566 -24.826 1.00 14.23 H new ATOM 0 HE3 LYS A 39 -19.257 -18.911 -24.512 1.00 14.23 H new ATOM 0 HZ1 LYS A 39 -18.876 -19.484 -26.612 1.00 23.02 H new ATOM 0 HZ2 LYS A 39 -19.869 -18.186 -27.073 1.00 23.02 H new ATOM 0 HZ3 LYS A 39 -18.184 -17.984 -27.003 1.00 23.02 H new ATOM 674 N LEU A 40 -23.796 -19.179 -23.088 1.00 63.23 N ATOM 675 CA LEU A 40 -23.786 -19.897 -21.818 1.00 41.22 C ATOM 676 C LEU A 40 -25.197 -20.316 -21.419 1.00 11.34 C ATOM 677 O LEU A 40 -25.388 -21.032 -20.436 1.00 35.53 O ATOM 678 CB LEU A 40 -23.171 -19.025 -20.722 1.00 63.11 C ATOM 679 CG LEU A 40 -21.706 -18.633 -20.919 1.00 50.14 C ATOM 680 CD1 LEU A 40 -21.180 -17.900 -19.695 1.00 21.51 C ATOM 681 CD2 LEU A 40 -20.859 -19.863 -21.212 1.00 53.12 C ATOM 0 H LEU A 40 -23.978 -18.179 -23.006 1.00 63.23 H new ATOM 0 HA LEU A 40 -23.181 -20.795 -21.941 1.00 41.22 H new ATOM 0 HB2 LEU A 40 -23.762 -18.113 -20.637 1.00 63.11 H new ATOM 0 HB3 LEU A 40 -23.261 -19.553 -19.773 1.00 63.11 H new ATOM 0 HG LEU A 40 -21.642 -17.961 -21.775 1.00 50.14 H new ATOM 0 HD11 LEU A 40 -20.136 -17.629 -19.854 1.00 21.51 H new ATOM 0 HD12 LEU A 40 -21.768 -16.997 -19.531 1.00 21.51 H new ATOM 0 HD13 LEU A 40 -21.258 -18.548 -18.822 1.00 21.51 H new ATOM 0 HD21 LEU A 40 -19.820 -19.565 -21.349 1.00 53.12 H new ATOM 0 HD22 LEU A 40 -20.929 -20.560 -20.377 1.00 53.12 H new ATOM 0 HD23 LEU A 40 -21.221 -20.346 -22.120 1.00 53.12 H new ATOM 693 N HIS A 41 -26.183 -19.865 -22.188 1.00 61.33 N ATOM 694 CA HIS A 41 -27.577 -20.196 -21.916 1.00 53.22 C ATOM 695 C HIS A 41 -27.938 -19.881 -20.468 1.00 5.35 C ATOM 696 O HIS A 41 -28.540 -20.701 -19.774 1.00 40.21 O ATOM 697 CB HIS A 41 -27.840 -21.673 -22.209 1.00 62.24 C ATOM 698 CG HIS A 41 -27.608 -22.050 -23.640 1.00 61.32 C ATOM 699 ND1 HIS A 41 -28.624 -22.424 -24.494 1.00 50.44 N ATOM 700 CD2 HIS A 41 -26.467 -22.109 -24.367 1.00 13.43 C ATOM 701 CE1 HIS A 41 -28.118 -22.697 -25.684 1.00 13.12 C ATOM 702 NE2 HIS A 41 -26.811 -22.513 -25.633 1.00 73.11 N ATOM 0 H HIS A 41 -26.042 -19.270 -23.004 1.00 61.33 H new ATOM 0 HA HIS A 41 -28.202 -19.587 -22.569 1.00 53.22 H new ATOM 0 HB2 HIS A 41 -27.197 -22.281 -21.573 1.00 62.24 H new ATOM 0 HB3 HIS A 41 -28.870 -21.910 -21.942 1.00 62.24 H new ATOM 0 HD1 HIS A 41 -29.612 -22.481 -24.246 1.00 50.44 H new ATOM 0 HD2 HIS A 41 -25.471 -21.881 -24.016 1.00 13.43 H new ATOM 0 HE1 HIS A 41 -28.678 -23.016 -26.551 1.00 13.12 H new ATOM 711 N CYS A 42 -27.564 -18.688 -20.016 1.00 52.01 N ATOM 712 CA CYS A 42 -27.846 -18.264 -18.650 1.00 33.20 C ATOM 713 C CYS A 42 -28.392 -16.839 -18.624 1.00 63.22 C ATOM 714 O CYS A 42 -28.343 -16.126 -19.627 1.00 13.24 O ATOM 715 CB CYS A 42 -26.581 -18.353 -17.795 1.00 21.24 C ATOM 716 SG CYS A 42 -25.195 -17.344 -18.410 1.00 63.43 S ATOM 0 H CYS A 42 -27.065 -17.998 -20.577 1.00 52.01 H new ATOM 0 HA CYS A 42 -28.603 -18.932 -18.238 1.00 33.20 H new ATOM 0 HB2 CYS A 42 -26.820 -18.041 -16.778 1.00 21.24 H new ATOM 0 HB3 CYS A 42 -26.263 -19.394 -17.743 1.00 21.24 H new ATOM 721 N CYS A 43 -28.910 -16.431 -17.471 1.00 34.11 N ATOM 722 CA CYS A 43 -29.465 -15.092 -17.313 1.00 34.34 C ATOM 723 C CYS A 43 -28.779 -14.350 -16.169 1.00 62.54 C ATOM 724 O CYS A 43 -28.407 -14.950 -15.161 1.00 41.53 O ATOM 725 CB CYS A 43 -30.971 -15.169 -17.054 1.00 33.13 C ATOM 726 SG CYS A 43 -31.927 -15.884 -18.430 1.00 21.21 S ATOM 0 H CYS A 43 -28.957 -17.009 -16.632 1.00 34.11 H new ATOM 0 HA CYS A 43 -29.289 -14.542 -18.237 1.00 34.34 H new ATOM 0 HB2 CYS A 43 -31.145 -15.764 -16.157 1.00 33.13 H new ATOM 0 HB3 CYS A 43 -31.345 -14.166 -16.848 1.00 33.13 H new ATOM 731 N GLY A 44 -28.614 -13.041 -16.335 1.00 34.42 N ATOM 732 CA GLY A 44 -27.973 -12.239 -15.310 1.00 13.13 C ATOM 733 C GLY A 44 -26.649 -12.823 -14.860 1.00 31.34 C ATOM 734 O GLY A 44 -26.103 -13.714 -15.510 1.00 42.42 O ATOM 0 H GLY A 44 -28.913 -12.522 -17.161 1.00 34.42 H new ATOM 0 HA2 GLY A 44 -27.811 -11.231 -15.691 1.00 13.13 H new ATOM 0 HA3 GLY A 44 -28.639 -12.153 -14.451 1.00 13.13 H new ATOM 738 N ALA A 45 -26.131 -12.320 -13.744 1.00 63.30 N ATOM 739 CA ALA A 45 -24.862 -12.798 -13.208 1.00 35.43 C ATOM 740 C ALA A 45 -25.059 -14.064 -12.380 1.00 63.10 C ATOM 741 O ALA A 45 -24.602 -15.142 -12.759 1.00 64.44 O ATOM 742 CB ALA A 45 -24.202 -11.714 -12.369 1.00 62.32 C ATOM 0 H ALA A 45 -26.570 -11.582 -13.194 1.00 63.30 H new ATOM 0 HA ALA A 45 -24.209 -13.041 -14.047 1.00 35.43 H new ATOM 0 HB1 ALA A 45 -23.256 -12.084 -11.975 1.00 62.32 H new ATOM 0 HB2 ALA A 45 -24.019 -10.836 -12.988 1.00 62.32 H new ATOM 0 HB3 ALA A 45 -24.858 -11.444 -11.542 1.00 62.32 H new ATOM 748 N ASP A 46 -25.740 -13.925 -11.248 1.00 72.32 N ATOM 749 CA ASP A 46 -25.997 -15.058 -10.367 1.00 31.24 C ATOM 750 C ASP A 46 -27.435 -15.547 -10.514 1.00 42.44 C ATOM 751 O ASP A 46 -27.803 -16.594 -9.983 1.00 23.21 O ATOM 752 CB ASP A 46 -25.723 -14.672 -8.912 1.00 74.42 C ATOM 753 CG ASP A 46 -25.220 -15.841 -8.088 1.00 72.10 C ATOM 754 OD1 ASP A 46 -25.543 -16.996 -8.437 1.00 21.20 O ATOM 755 OD2 ASP A 46 -24.503 -15.601 -7.095 1.00 10.24 O ATOM 0 H ASP A 46 -26.124 -13.039 -10.919 1.00 72.32 H new ATOM 0 HA ASP A 46 -25.326 -15.868 -10.653 1.00 31.24 H new ATOM 0 HB2 ASP A 46 -24.987 -13.869 -8.885 1.00 74.42 H new ATOM 0 HB3 ASP A 46 -26.637 -14.282 -8.464 1.00 74.42 H new ATOM 760 N SER A 47 -28.243 -14.780 -11.239 1.00 14.21 N ATOM 761 CA SER A 47 -29.642 -15.132 -11.453 1.00 13.35 C ATOM 762 C SER A 47 -30.326 -14.114 -12.360 1.00 50.13 C ATOM 763 O SER A 47 -29.857 -12.990 -12.539 1.00 12.51 O ATOM 764 CB SER A 47 -30.379 -15.215 -10.114 1.00 53.24 C ATOM 765 OG SER A 47 -29.776 -14.374 -9.147 1.00 3.13 O ATOM 0 H SER A 47 -27.953 -13.911 -11.688 1.00 14.21 H new ATOM 0 HA SER A 47 -29.676 -16.107 -11.940 1.00 13.35 H new ATOM 0 HB2 SER A 47 -31.422 -14.928 -10.251 1.00 53.24 H new ATOM 0 HB3 SER A 47 -30.376 -16.245 -9.757 1.00 53.24 H new ATOM 0 HG SER A 47 -30.266 -14.444 -8.301 1.00 3.13 H new ATOM 771 N PRO A 48 -31.462 -14.516 -12.949 1.00 33.25 N ATOM 772 CA PRO A 48 -32.236 -13.655 -13.848 1.00 33.05 C ATOM 773 C PRO A 48 -32.911 -12.504 -13.109 1.00 41.13 C ATOM 774 O PRO A 48 -33.183 -11.454 -13.691 1.00 43.53 O ATOM 775 CB PRO A 48 -33.286 -14.604 -14.431 1.00 61.04 C ATOM 776 CG PRO A 48 -33.435 -15.678 -13.410 1.00 72.31 C ATOM 777 CD PRO A 48 -32.079 -15.843 -12.781 1.00 14.32 C ATOM 0 HA PRO A 48 -31.606 -13.180 -14.600 1.00 33.05 H new ATOM 0 HB2 PRO A 48 -34.231 -14.090 -14.605 1.00 61.04 H new ATOM 0 HB3 PRO A 48 -32.963 -15.011 -15.389 1.00 61.04 H new ATOM 0 HG2 PRO A 48 -34.181 -15.406 -12.663 1.00 72.31 H new ATOM 0 HG3 PRO A 48 -33.768 -16.609 -13.869 1.00 72.31 H new ATOM 0 HD2 PRO A 48 -32.155 -16.121 -11.730 1.00 14.32 H new ATOM 0 HD3 PRO A 48 -31.498 -16.622 -13.276 1.00 14.32 H new ATOM 785 N LYS A 49 -33.179 -12.708 -11.824 1.00 4.51 N ATOM 786 CA LYS A 49 -33.820 -11.686 -11.004 1.00 71.43 C ATOM 787 C LYS A 49 -32.948 -10.438 -10.909 1.00 73.32 C ATOM 788 O LYS A 49 -33.430 -9.357 -10.570 1.00 73.33 O ATOM 789 CB LYS A 49 -34.103 -12.232 -9.603 1.00 12.43 C ATOM 790 CG LYS A 49 -35.002 -13.456 -9.596 1.00 53.25 C ATOM 791 CD LYS A 49 -36.459 -13.079 -9.805 1.00 54.43 C ATOM 792 CE LYS A 49 -37.285 -14.273 -10.257 1.00 72.41 C ATOM 793 NZ LYS A 49 -38.747 -14.007 -10.156 1.00 21.52 N ATOM 0 H LYS A 49 -32.962 -13.572 -11.327 1.00 4.51 H new ATOM 0 HA LYS A 49 -34.763 -11.413 -11.478 1.00 71.43 H new ATOM 0 HB2 LYS A 49 -33.157 -12.484 -9.123 1.00 12.43 H new ATOM 0 HB3 LYS A 49 -34.566 -11.448 -9.004 1.00 12.43 H new ATOM 0 HG2 LYS A 49 -34.687 -14.144 -10.380 1.00 53.25 H new ATOM 0 HG3 LYS A 49 -34.894 -13.983 -8.648 1.00 53.25 H new ATOM 0 HD2 LYS A 49 -36.870 -12.682 -8.877 1.00 54.43 H new ATOM 0 HD3 LYS A 49 -36.527 -12.285 -10.549 1.00 54.43 H new ATOM 0 HE2 LYS A 49 -37.031 -14.521 -11.288 1.00 72.41 H new ATOM 0 HE3 LYS A 49 -37.031 -15.141 -9.649 1.00 72.41 H new ATOM 0 HZ1 LYS A 49 -39.275 -14.845 -10.473 1.00 21.52 H new ATOM 0 HZ2 LYS A 49 -38.994 -13.796 -9.168 1.00 21.52 H new ATOM 0 HZ3 LYS A 49 -38.994 -13.194 -10.756 1.00 21.52 H new ATOM 807 N ASP A 50 -31.664 -10.595 -11.212 1.00 13.25 N ATOM 808 CA ASP A 50 -30.726 -9.480 -11.163 1.00 2.45 C ATOM 809 C ASP A 50 -31.233 -8.305 -11.993 1.00 75.34 C ATOM 810 O ASP A 50 -30.954 -7.147 -11.684 1.00 53.45 O ATOM 811 CB ASP A 50 -29.351 -9.920 -11.666 1.00 65.14 C ATOM 812 CG ASP A 50 -28.710 -10.958 -10.767 1.00 24.44 C ATOM 813 OD1 ASP A 50 -28.991 -10.944 -9.550 1.00 41.42 O ATOM 814 OD2 ASP A 50 -27.926 -11.785 -11.279 1.00 21.33 O ATOM 0 H ASP A 50 -31.249 -11.483 -11.494 1.00 13.25 H new ATOM 0 HA ASP A 50 -30.639 -9.157 -10.126 1.00 2.45 H new ATOM 0 HB2 ASP A 50 -29.449 -10.326 -12.673 1.00 65.14 H new ATOM 0 HB3 ASP A 50 -28.697 -9.050 -11.735 1.00 65.14 H new ATOM 819 N TYR A 51 -31.979 -8.613 -13.049 1.00 11.32 N ATOM 820 CA TYR A 51 -32.523 -7.583 -13.926 1.00 62.05 C ATOM 821 C TYR A 51 -33.891 -7.117 -13.438 1.00 21.33 C ATOM 822 O TYR A 51 -34.334 -6.014 -13.755 1.00 60.52 O ATOM 823 CB TYR A 51 -32.633 -8.110 -15.358 1.00 45.34 C ATOM 824 CG TYR A 51 -31.294 -8.332 -16.026 1.00 33.31 C ATOM 825 CD1 TYR A 51 -30.385 -7.291 -16.166 1.00 65.45 C ATOM 826 CD2 TYR A 51 -30.940 -9.583 -16.517 1.00 1.30 C ATOM 827 CE1 TYR A 51 -29.161 -7.490 -16.776 1.00 42.33 C ATOM 828 CE2 TYR A 51 -29.718 -9.791 -17.127 1.00 1.52 C ATOM 829 CZ TYR A 51 -28.832 -8.741 -17.254 1.00 70.13 C ATOM 830 OH TYR A 51 -27.614 -8.944 -17.863 1.00 14.35 O ATOM 0 H TYR A 51 -32.220 -9.567 -13.318 1.00 11.32 H new ATOM 0 HA TYR A 51 -31.843 -6.732 -13.909 1.00 62.05 H new ATOM 0 HB2 TYR A 51 -33.185 -9.050 -15.349 1.00 45.34 H new ATOM 0 HB3 TYR A 51 -33.214 -7.405 -15.952 1.00 45.34 H new ATOM 0 HD1 TYR A 51 -30.639 -6.310 -15.792 1.00 65.45 H new ATOM 0 HD2 TYR A 51 -31.632 -10.407 -16.420 1.00 1.30 H new ATOM 0 HE1 TYR A 51 -28.466 -6.670 -16.878 1.00 42.33 H new ATOM 0 HE2 TYR A 51 -29.458 -10.770 -17.502 1.00 1.52 H new ATOM 0 HH TYR A 51 -27.355 -8.136 -18.354 1.00 14.35 H new ATOM 840 N GLY A 52 -34.556 -7.968 -12.661 1.00 42.23 N ATOM 841 CA GLY A 52 -35.866 -7.627 -12.140 1.00 14.23 C ATOM 842 C GLY A 52 -36.952 -8.556 -12.646 1.00 24.44 C ATOM 843 O GLY A 52 -37.069 -9.691 -12.185 1.00 32.33 O ATOM 0 H GLY A 52 -34.210 -8.887 -12.384 1.00 42.23 H new ATOM 0 HA2 GLY A 52 -35.841 -7.662 -11.051 1.00 14.23 H new ATOM 0 HA3 GLY A 52 -36.109 -6.602 -12.420 1.00 14.23 H new ATOM 847 N GLU A 53 -37.747 -8.074 -13.595 1.00 13.32 N ATOM 848 CA GLU A 53 -38.830 -8.870 -14.161 1.00 1.20 C ATOM 849 C GLU A 53 -38.885 -8.713 -15.678 1.00 2.01 C ATOM 850 O GLU A 53 -39.918 -8.955 -16.300 1.00 41.23 O ATOM 851 CB GLU A 53 -40.170 -8.460 -13.546 1.00 43.21 C ATOM 852 CG GLU A 53 -40.397 -6.958 -13.527 1.00 44.45 C ATOM 853 CD GLU A 53 -41.864 -6.588 -13.623 1.00 11.04 C ATOM 854 OE1 GLU A 53 -42.535 -6.551 -12.570 1.00 74.40 O ATOM 855 OE2 GLU A 53 -42.341 -6.336 -14.749 1.00 13.25 O ATOM 0 H GLU A 53 -37.662 -7.137 -13.988 1.00 13.32 H new ATOM 0 HA GLU A 53 -38.637 -9.917 -13.928 1.00 1.20 H new ATOM 0 HB2 GLU A 53 -40.977 -8.934 -14.105 1.00 43.21 H new ATOM 0 HB3 GLU A 53 -40.223 -8.840 -12.526 1.00 43.21 H new ATOM 0 HG2 GLU A 53 -39.981 -6.543 -12.609 1.00 44.45 H new ATOM 0 HG3 GLU A 53 -39.856 -6.502 -14.356 1.00 44.45 H new ATOM 862 N ASN A 54 -37.764 -8.306 -16.266 1.00 14.23 N ATOM 863 CA ASN A 54 -37.684 -8.115 -17.709 1.00 74.13 C ATOM 864 C ASN A 54 -36.238 -8.190 -18.189 1.00 1.14 C ATOM 865 O ASN A 54 -35.611 -7.180 -18.509 1.00 50.12 O ATOM 866 CB ASN A 54 -38.294 -6.768 -18.101 1.00 53.24 C ATOM 867 CG ASN A 54 -39.810 -6.787 -18.065 1.00 53.03 C ATOM 868 OD1 ASN A 54 -40.382 -6.313 -16.964 1.00 34.25 O flip ATOM 869 ND2 ASN A 54 -40.459 -7.222 -19.017 1.00 62.51 N flip ATOM 0 H ASN A 54 -36.899 -8.102 -15.765 1.00 14.23 H new ATOM 0 HA ASN A 54 -38.249 -8.915 -18.188 1.00 74.13 H new ATOM 0 HB2 ASN A 54 -37.927 -5.996 -17.425 1.00 53.24 H new ATOM 0 HB3 ASN A 54 -37.960 -6.499 -19.103 1.00 53.24 H new ATOM 0 HD21 ASN A 54 -39.977 -7.577 -19.843 1.00 62.51 H new ATOM 0 HD22 ASN A 54 -41.478 -7.228 -18.979 1.00 62.51 H new ATOM 876 N PRO A 55 -35.694 -9.415 -18.240 1.00 11.12 N ATOM 877 CA PRO A 55 -34.316 -9.652 -18.680 1.00 10.51 C ATOM 878 C PRO A 55 -34.133 -9.401 -20.173 1.00 31.11 C ATOM 879 O PRO A 55 -35.097 -9.263 -20.926 1.00 70.33 O ATOM 880 CB PRO A 55 -34.088 -11.130 -18.354 1.00 14.32 C ATOM 881 CG PRO A 55 -35.450 -11.734 -18.366 1.00 62.41 C ATOM 882 CD PRO A 55 -36.383 -10.664 -17.873 1.00 10.54 C ATOM 0 HA PRO A 55 -33.611 -8.980 -18.191 1.00 10.51 H new ATOM 0 HB2 PRO A 55 -33.439 -11.603 -19.091 1.00 14.32 H new ATOM 0 HB3 PRO A 55 -33.609 -11.252 -17.382 1.00 14.32 H new ATOM 0 HG2 PRO A 55 -35.724 -12.058 -19.370 1.00 62.41 H new ATOM 0 HG3 PRO A 55 -35.492 -12.614 -17.724 1.00 62.41 H new ATOM 0 HD2 PRO A 55 -37.363 -10.736 -18.345 1.00 10.54 H new ATOM 0 HD3 PRO A 55 -36.542 -10.734 -16.797 1.00 10.54 H new ATOM 890 N PRO A 56 -32.868 -9.341 -20.613 1.00 5.20 N ATOM 891 CA PRO A 56 -32.529 -9.108 -22.020 1.00 40.21 C ATOM 892 C PRO A 56 -32.884 -10.297 -22.906 1.00 50.34 C ATOM 893 O PRO A 56 -33.046 -11.418 -22.424 1.00 33.11 O ATOM 894 CB PRO A 56 -31.013 -8.897 -21.990 1.00 31.00 C ATOM 895 CG PRO A 56 -30.554 -9.621 -20.772 1.00 31.14 C ATOM 896 CD PRO A 56 -31.670 -9.496 -19.771 1.00 24.21 C ATOM 0 HA PRO A 56 -33.082 -8.267 -22.438 1.00 40.21 H new ATOM 0 HB2 PRO A 56 -30.540 -9.294 -22.888 1.00 31.00 H new ATOM 0 HB3 PRO A 56 -30.762 -7.838 -21.939 1.00 31.00 H new ATOM 0 HG2 PRO A 56 -30.345 -10.667 -20.995 1.00 31.14 H new ATOM 0 HG3 PRO A 56 -29.632 -9.188 -20.385 1.00 31.14 H new ATOM 0 HD2 PRO A 56 -31.738 -10.377 -19.133 1.00 24.21 H new ATOM 0 HD3 PRO A 56 -31.527 -8.638 -19.114 1.00 24.21 H new ATOM 904 N THR A 57 -33.003 -10.045 -24.206 1.00 72.34 N ATOM 905 CA THR A 57 -33.340 -11.095 -25.160 1.00 44.31 C ATOM 906 C THR A 57 -32.332 -12.237 -25.099 1.00 32.13 C ATOM 907 O THR A 57 -32.637 -13.367 -25.480 1.00 21.21 O ATOM 908 CB THR A 57 -33.393 -10.549 -26.600 1.00 32.43 C ATOM 909 OG1 THR A 57 -33.734 -11.601 -27.510 1.00 33.24 O ATOM 910 CG2 THR A 57 -32.057 -9.941 -26.998 1.00 0.00 C ATOM 0 H THR A 57 -32.871 -9.123 -24.622 1.00 72.34 H new ATOM 0 HA THR A 57 -34.326 -11.469 -24.884 1.00 44.31 H new ATOM 0 HB THR A 57 -34.155 -9.771 -26.642 1.00 32.43 H new ATOM 0 HG1 THR A 57 -33.767 -11.246 -28.423 1.00 33.24 H new ATOM 0 HG21 THR A 57 -32.119 -9.562 -28.018 1.00 0.00 H new ATOM 0 HG22 THR A 57 -31.814 -9.122 -26.321 1.00 0.00 H new ATOM 0 HG23 THR A 57 -31.279 -10.702 -26.940 1.00 0.00 H new ATOM 918 N SER A 58 -31.131 -11.935 -24.616 1.00 31.51 N ATOM 919 CA SER A 58 -30.077 -12.937 -24.507 1.00 72.45 C ATOM 920 C SER A 58 -30.408 -13.958 -23.423 1.00 25.12 C ATOM 921 O SER A 58 -29.773 -15.009 -23.329 1.00 24.05 O ATOM 922 CB SER A 58 -28.736 -12.267 -24.201 1.00 55.15 C ATOM 923 OG SER A 58 -28.924 -10.949 -23.716 1.00 35.02 O ATOM 0 H SER A 58 -30.864 -11.005 -24.294 1.00 31.51 H new ATOM 0 HA SER A 58 -30.005 -13.458 -25.462 1.00 72.45 H new ATOM 0 HB2 SER A 58 -28.192 -12.856 -23.462 1.00 55.15 H new ATOM 0 HB3 SER A 58 -28.124 -12.242 -25.103 1.00 55.15 H new ATOM 0 HG SER A 58 -28.939 -10.322 -24.469 1.00 35.02 H new ATOM 929 N CYS A 59 -31.406 -13.641 -22.605 1.00 42.01 N ATOM 930 CA CYS A 59 -31.822 -14.528 -21.526 1.00 32.21 C ATOM 931 C CYS A 59 -32.719 -15.644 -22.054 1.00 65.35 C ATOM 932 O CYS A 59 -32.797 -16.723 -21.466 1.00 52.40 O ATOM 933 CB CYS A 59 -32.559 -13.737 -20.443 1.00 21.31 C ATOM 934 SG CYS A 59 -33.362 -14.776 -19.180 1.00 61.11 S ATOM 0 H CYS A 59 -31.942 -12.776 -22.669 1.00 42.01 H new ATOM 0 HA CYS A 59 -30.928 -14.978 -21.094 1.00 32.21 H new ATOM 0 HB2 CYS A 59 -31.852 -13.068 -19.952 1.00 21.31 H new ATOM 0 HB3 CYS A 59 -33.315 -13.110 -20.917 1.00 21.31 H new ATOM 939 N SER A 60 -33.392 -15.377 -23.169 1.00 33.13 N ATOM 940 CA SER A 60 -34.286 -16.357 -23.775 1.00 42.13 C ATOM 941 C SER A 60 -33.851 -16.679 -25.202 1.00 24.24 C ATOM 942 O SER A 60 -33.204 -15.868 -25.864 1.00 65.25 O ATOM 943 CB SER A 60 -35.724 -15.836 -23.774 1.00 73.03 C ATOM 944 OG SER A 60 -35.760 -14.438 -24.000 1.00 55.51 O ATOM 0 H SER A 60 -33.335 -14.491 -23.671 1.00 33.13 H new ATOM 0 HA SER A 60 -34.238 -17.271 -23.183 1.00 42.13 H new ATOM 0 HB2 SER A 60 -36.300 -16.347 -24.546 1.00 73.03 H new ATOM 0 HB3 SER A 60 -36.197 -16.065 -22.819 1.00 73.03 H new ATOM 0 HG SER A 60 -36.690 -14.130 -23.996 1.00 55.51 H new ATOM 950 N LYS A 61 -34.211 -17.870 -25.668 1.00 64.04 N ATOM 951 CA LYS A 61 -33.860 -18.302 -27.016 1.00 61.01 C ATOM 952 C LYS A 61 -34.850 -19.343 -27.528 1.00 64.54 C ATOM 953 O LYS A 61 -35.304 -20.205 -26.776 1.00 23.25 O ATOM 954 CB LYS A 61 -32.442 -18.877 -27.037 1.00 22.03 C ATOM 955 CG LYS A 61 -31.604 -18.388 -28.206 1.00 33.42 C ATOM 956 CD LYS A 61 -31.862 -19.210 -29.458 1.00 5.11 C ATOM 957 CE LYS A 61 -31.367 -20.639 -29.298 1.00 60.31 C ATOM 958 NZ LYS A 61 -29.951 -20.688 -28.839 1.00 71.44 N ATOM 0 H LYS A 61 -34.746 -18.554 -25.132 1.00 64.04 H new ATOM 0 HA LYS A 61 -33.902 -17.432 -27.672 1.00 61.01 H new ATOM 0 HB2 LYS A 61 -31.939 -18.615 -26.106 1.00 22.03 H new ATOM 0 HB3 LYS A 61 -32.501 -19.965 -27.073 1.00 22.03 H new ATOM 0 HG2 LYS A 61 -31.830 -17.340 -28.404 1.00 33.42 H new ATOM 0 HG3 LYS A 61 -30.547 -18.442 -27.945 1.00 33.42 H new ATOM 0 HD2 LYS A 61 -32.930 -19.216 -29.677 1.00 5.11 H new ATOM 0 HD3 LYS A 61 -31.365 -18.745 -30.309 1.00 5.11 H new ATOM 0 HE2 LYS A 61 -31.999 -21.164 -28.582 1.00 60.31 H new ATOM 0 HE3 LYS A 61 -31.459 -21.164 -30.249 1.00 60.31 H new ATOM 0 HZ1 LYS A 61 -29.557 -21.631 -29.030 1.00 71.44 H new ATOM 0 HZ2 LYS A 61 -29.396 -19.971 -29.348 1.00 71.44 H new ATOM 0 HZ3 LYS A 61 -29.910 -20.496 -27.818 1.00 71.44 H new ATOM 972 N ASP A 62 -35.178 -19.259 -28.813 1.00 14.13 N ATOM 973 CA ASP A 62 -36.112 -20.196 -29.426 1.00 54.12 C ATOM 974 C ASP A 62 -37.422 -20.246 -28.646 1.00 74.52 C ATOM 975 O ASP A 62 -38.123 -21.257 -28.655 1.00 74.42 O ATOM 976 CB ASP A 62 -35.493 -21.593 -29.498 1.00 52.45 C ATOM 977 CG ASP A 62 -36.192 -22.484 -30.506 1.00 34.45 C ATOM 978 OD1 ASP A 62 -36.495 -22.002 -31.617 1.00 44.51 O ATOM 979 OD2 ASP A 62 -36.437 -23.666 -30.183 1.00 4.55 O ATOM 0 H ASP A 62 -34.811 -18.552 -29.450 1.00 14.13 H new ATOM 0 HA ASP A 62 -36.325 -19.849 -30.437 1.00 54.12 H new ATOM 0 HB2 ASP A 62 -34.439 -21.507 -29.762 1.00 52.45 H new ATOM 0 HB3 ASP A 62 -35.538 -22.058 -28.513 1.00 52.45 H new ATOM 984 N GLY A 63 -37.746 -19.148 -27.971 1.00 10.14 N ATOM 985 CA GLY A 63 -38.970 -19.088 -27.194 1.00 33.53 C ATOM 986 C GLY A 63 -38.847 -19.803 -25.862 1.00 54.43 C ATOM 987 O GLY A 63 -39.841 -20.269 -25.306 1.00 32.43 O ATOM 0 H GLY A 63 -37.182 -18.298 -27.948 1.00 10.14 H new ATOM 0 HA2 GLY A 63 -39.236 -18.045 -27.020 1.00 33.53 H new ATOM 0 HA3 GLY A 63 -39.783 -19.533 -27.768 1.00 33.53 H new ATOM 991 N VAL A 64 -37.624 -19.890 -25.350 1.00 42.20 N ATOM 992 CA VAL A 64 -37.374 -20.553 -24.076 1.00 0.12 C ATOM 993 C VAL A 64 -36.622 -19.636 -23.117 1.00 60.24 C ATOM 994 O VAL A 64 -35.921 -18.719 -23.543 1.00 42.11 O ATOM 995 CB VAL A 64 -36.567 -21.851 -24.267 1.00 42.42 C ATOM 996 CG1 VAL A 64 -35.074 -21.567 -24.194 1.00 52.15 C ATOM 997 CG2 VAL A 64 -36.972 -22.887 -23.230 1.00 61.32 C ATOM 0 H VAL A 64 -36.790 -19.510 -25.798 1.00 42.20 H new ATOM 0 HA VAL A 64 -38.347 -20.799 -23.651 1.00 0.12 H new ATOM 0 HB VAL A 64 -36.788 -22.254 -25.255 1.00 42.42 H new ATOM 0 HG11 VAL A 64 -34.520 -22.496 -24.331 1.00 52.15 H new ATOM 0 HG12 VAL A 64 -34.799 -20.861 -24.978 1.00 52.15 H new ATOM 0 HG13 VAL A 64 -34.832 -21.140 -23.221 1.00 52.15 H new ATOM 0 HG21 VAL A 64 -36.392 -23.798 -23.380 1.00 61.32 H new ATOM 0 HG22 VAL A 64 -36.781 -22.495 -22.231 1.00 61.32 H new ATOM 0 HG23 VAL A 64 -38.033 -23.111 -23.335 1.00 61.32 H new ATOM 1007 N GLN A 65 -36.773 -19.892 -21.822 1.00 10.31 N ATOM 1008 CA GLN A 65 -36.108 -19.089 -20.803 1.00 3.32 C ATOM 1009 C GLN A 65 -35.037 -19.901 -20.083 1.00 25.31 C ATOM 1010 O GLN A 65 -35.250 -21.064 -19.741 1.00 34.44 O ATOM 1011 CB GLN A 65 -37.128 -18.560 -19.793 1.00 72.22 C ATOM 1012 CG GLN A 65 -36.680 -17.294 -19.081 1.00 71.12 C ATOM 1013 CD GLN A 65 -36.490 -17.499 -17.591 1.00 54.51 C ATOM 1014 OE1 GLN A 65 -37.364 -18.036 -16.910 1.00 54.32 O ATOM 1015 NE2 GLN A 65 -35.344 -17.070 -17.076 1.00 21.22 N ATOM 0 H GLN A 65 -37.350 -20.649 -21.454 1.00 10.31 H new ATOM 0 HA GLN A 65 -35.627 -18.246 -21.299 1.00 3.32 H new ATOM 0 HB2 GLN A 65 -38.068 -18.364 -20.308 1.00 72.22 H new ATOM 0 HB3 GLN A 65 -37.326 -19.333 -19.051 1.00 72.22 H new ATOM 0 HG2 GLN A 65 -35.744 -16.947 -19.519 1.00 71.12 H new ATOM 0 HG3 GLN A 65 -37.418 -16.509 -19.245 1.00 71.12 H new ATOM 0 HE21 GLN A 65 -34.647 -16.631 -17.678 1.00 21.22 H new ATOM 0 HE22 GLN A 65 -35.160 -17.180 -16.079 1.00 21.22 H new ATOM 1024 N PHE A 66 -33.883 -19.281 -19.856 1.00 71.45 N ATOM 1025 CA PHE A 66 -32.777 -19.948 -19.178 1.00 53.33 C ATOM 1026 C PHE A 66 -32.852 -19.727 -17.670 1.00 70.13 C ATOM 1027 O PHE A 66 -32.561 -18.638 -17.175 1.00 2.13 O ATOM 1028 CB PHE A 66 -31.439 -19.435 -19.714 1.00 71.05 C ATOM 1029 CG PHE A 66 -31.266 -19.643 -21.192 1.00 22.52 C ATOM 1030 CD1 PHE A 66 -31.657 -20.831 -21.788 1.00 35.31 C ATOM 1031 CD2 PHE A 66 -30.711 -18.652 -21.984 1.00 44.32 C ATOM 1032 CE1 PHE A 66 -31.500 -21.026 -23.147 1.00 63.22 C ATOM 1033 CE2 PHE A 66 -30.551 -18.841 -23.344 1.00 3.30 C ATOM 1034 CZ PHE A 66 -30.945 -20.030 -23.926 1.00 4.20 C ATOM 0 H PHE A 66 -33.690 -18.318 -20.132 1.00 71.45 H new ATOM 0 HA PHE A 66 -32.854 -21.017 -19.375 1.00 53.33 H new ATOM 0 HB2 PHE A 66 -31.351 -18.371 -19.492 1.00 71.05 H new ATOM 0 HB3 PHE A 66 -30.628 -19.938 -19.187 1.00 71.05 H new ATOM 0 HD1 PHE A 66 -32.090 -21.614 -21.183 1.00 35.31 H new ATOM 0 HD2 PHE A 66 -30.400 -17.721 -21.534 1.00 44.32 H new ATOM 0 HE1 PHE A 66 -31.811 -21.956 -23.599 1.00 63.22 H new ATOM 0 HE2 PHE A 66 -30.118 -18.060 -23.951 1.00 3.30 H new ATOM 0 HZ PHE A 66 -30.819 -20.180 -24.988 1.00 4.20 H new ATOM 1044 N THR A 67 -33.245 -20.769 -16.944 1.00 72.24 N ATOM 1045 CA THR A 67 -33.360 -20.690 -15.494 1.00 35.33 C ATOM 1046 C THR A 67 -32.059 -21.103 -14.816 1.00 0.45 C ATOM 1047 O THR A 67 -32.066 -21.872 -13.855 1.00 71.14 O ATOM 1048 CB THR A 67 -34.503 -21.582 -14.972 1.00 0.24 C ATOM 1049 OG1 THR A 67 -34.467 -22.856 -15.624 1.00 54.11 O ATOM 1050 CG2 THR A 67 -35.854 -20.923 -15.207 1.00 21.30 C ATOM 0 H THR A 67 -33.489 -21.678 -17.337 1.00 72.24 H new ATOM 0 HA THR A 67 -33.579 -19.650 -15.250 1.00 35.33 H new ATOM 0 HB THR A 67 -34.366 -21.720 -13.899 1.00 0.24 H new ATOM 0 HG1 THR A 67 -35.195 -23.417 -15.285 1.00 54.11 H new ATOM 0 HG21 THR A 67 -36.645 -21.571 -14.830 1.00 21.30 H new ATOM 0 HG22 THR A 67 -35.888 -19.967 -14.684 1.00 21.30 H new ATOM 0 HG23 THR A 67 -35.998 -20.758 -16.275 1.00 21.30 H new ATOM 1058 N GLU A 68 -30.944 -20.585 -15.321 1.00 43.01 N ATOM 1059 CA GLU A 68 -29.634 -20.901 -14.763 1.00 13.34 C ATOM 1060 C GLU A 68 -28.758 -19.653 -14.691 1.00 32.31 C ATOM 1061 O GLU A 68 -28.877 -18.749 -15.517 1.00 34.40 O ATOM 1062 CB GLU A 68 -28.942 -21.976 -15.603 1.00 53.33 C ATOM 1063 CG GLU A 68 -29.600 -23.342 -15.506 1.00 12.22 C ATOM 1064 CD GLU A 68 -28.878 -24.397 -16.321 1.00 51.44 C ATOM 1065 OE1 GLU A 68 -28.575 -24.128 -17.503 1.00 1.53 O ATOM 1066 OE2 GLU A 68 -28.617 -25.491 -15.779 1.00 45.41 O ATOM 0 H GLU A 68 -30.921 -19.945 -16.115 1.00 43.01 H new ATOM 0 HA GLU A 68 -29.780 -21.280 -13.752 1.00 13.34 H new ATOM 0 HB2 GLU A 68 -28.933 -21.660 -16.646 1.00 53.33 H new ATOM 0 HB3 GLU A 68 -27.902 -22.060 -15.286 1.00 53.33 H new ATOM 0 HG2 GLU A 68 -29.631 -23.653 -14.462 1.00 12.22 H new ATOM 0 HG3 GLU A 68 -30.633 -23.269 -15.847 1.00 12.22 H new ATOM 1073 N GLY A 69 -27.877 -19.612 -13.696 1.00 34.04 N ATOM 1074 CA GLY A 69 -26.995 -18.472 -13.533 1.00 45.22 C ATOM 1075 C GLY A 69 -25.781 -18.545 -14.438 1.00 5.11 C ATOM 1076 O GLY A 69 -25.559 -19.551 -15.113 1.00 34.04 O ATOM 0 H GLY A 69 -27.759 -20.348 -13.000 1.00 34.04 H new ATOM 0 HA2 GLY A 69 -27.547 -17.556 -13.744 1.00 45.22 H new ATOM 0 HA3 GLY A 69 -26.668 -18.415 -12.495 1.00 45.22 H new ATOM 1080 N CYS A 70 -24.992 -17.476 -14.454 1.00 44.24 N ATOM 1081 CA CYS A 70 -23.794 -17.421 -15.285 1.00 15.04 C ATOM 1082 C CYS A 70 -22.550 -17.753 -14.467 1.00 3.44 C ATOM 1083 O CYS A 70 -21.625 -18.400 -14.959 1.00 52.22 O ATOM 1084 CB CYS A 70 -23.649 -16.035 -15.916 1.00 11.24 C ATOM 1085 SG CYS A 70 -24.718 -15.762 -17.365 1.00 13.20 S ATOM 0 H CYS A 70 -25.160 -16.636 -13.901 1.00 44.24 H new ATOM 0 HA CYS A 70 -23.896 -18.164 -16.076 1.00 15.04 H new ATOM 0 HB2 CYS A 70 -23.875 -15.280 -15.164 1.00 11.24 H new ATOM 0 HB3 CYS A 70 -22.610 -15.889 -16.212 1.00 11.24 H new ATOM 1090 N ILE A 71 -22.534 -17.305 -13.216 1.00 31.04 N ATOM 1091 CA ILE A 71 -21.404 -17.555 -12.329 1.00 73.33 C ATOM 1092 C ILE A 71 -21.125 -19.049 -12.204 1.00 23.15 C ATOM 1093 O ILE A 71 -19.971 -19.472 -12.129 1.00 22.21 O ATOM 1094 CB ILE A 71 -21.649 -16.970 -10.926 1.00 34.52 C ATOM 1095 CG1 ILE A 71 -21.886 -15.461 -11.013 1.00 33.34 C ATOM 1096 CG2 ILE A 71 -20.472 -17.276 -10.012 1.00 11.42 C ATOM 1097 CD1 ILE A 71 -22.617 -14.895 -9.816 1.00 13.43 C ATOM 0 H ILE A 71 -23.291 -16.767 -12.794 1.00 31.04 H new ATOM 0 HA ILE A 71 -20.539 -17.062 -12.772 1.00 73.33 H new ATOM 0 HB ILE A 71 -22.541 -17.434 -10.505 1.00 34.52 H new ATOM 0 HG12 ILE A 71 -20.926 -14.956 -11.114 1.00 33.34 H new ATOM 0 HG13 ILE A 71 -22.458 -15.242 -11.915 1.00 33.34 H new ATOM 0 HG21 ILE A 71 -20.660 -16.856 -9.024 1.00 11.42 H new ATOM 0 HG22 ILE A 71 -20.346 -18.356 -9.930 1.00 11.42 H new ATOM 0 HG23 ILE A 71 -19.565 -16.836 -10.427 1.00 11.42 H new ATOM 0 HD11 ILE A 71 -22.750 -13.821 -9.946 1.00 13.43 H new ATOM 0 HD12 ILE A 71 -23.592 -15.373 -9.726 1.00 13.43 H new ATOM 0 HD13 ILE A 71 -22.036 -15.082 -8.913 1.00 13.43 H new ATOM 1109 N LYS A 72 -22.189 -19.845 -12.182 1.00 44.24 N ATOM 1110 CA LYS A 72 -22.060 -21.293 -12.069 1.00 45.31 C ATOM 1111 C LYS A 72 -21.813 -21.926 -13.435 1.00 12.41 C ATOM 1112 O LYS A 72 -21.052 -22.885 -13.558 1.00 20.41 O ATOM 1113 CB LYS A 72 -23.320 -21.890 -11.438 1.00 45.13 C ATOM 1114 CG LYS A 72 -23.744 -21.198 -10.155 1.00 3.44 C ATOM 1115 CD LYS A 72 -22.765 -21.470 -9.025 1.00 11.14 C ATOM 1116 CE LYS A 72 -23.066 -22.791 -8.333 1.00 42.20 C ATOM 1117 NZ LYS A 72 -22.394 -22.888 -7.007 1.00 73.44 N ATOM 0 H LYS A 72 -23.151 -19.511 -12.241 1.00 44.24 H new ATOM 0 HA LYS A 72 -21.204 -21.508 -11.429 1.00 45.31 H new ATOM 0 HB2 LYS A 72 -24.137 -21.836 -12.157 1.00 45.13 H new ATOM 0 HB3 LYS A 72 -23.147 -22.946 -11.231 1.00 45.13 H new ATOM 0 HG2 LYS A 72 -23.814 -20.124 -10.326 1.00 3.44 H new ATOM 0 HG3 LYS A 72 -24.738 -21.541 -9.867 1.00 3.44 H new ATOM 0 HD2 LYS A 72 -21.749 -21.488 -9.419 1.00 11.14 H new ATOM 0 HD3 LYS A 72 -22.811 -20.659 -8.299 1.00 11.14 H new ATOM 0 HE2 LYS A 72 -24.143 -22.896 -8.203 1.00 42.20 H new ATOM 0 HE3 LYS A 72 -22.740 -23.616 -8.967 1.00 42.20 H new ATOM 0 HZ1 LYS A 72 -22.624 -23.802 -6.567 1.00 73.44 H new ATOM 0 HZ2 LYS A 72 -21.364 -22.814 -7.133 1.00 73.44 H new ATOM 0 HZ3 LYS A 72 -22.724 -22.116 -6.393 1.00 73.44 H new ATOM 1131 N LYS A 73 -22.461 -21.381 -14.460 1.00 24.25 N ATOM 1132 CA LYS A 73 -22.310 -21.890 -15.818 1.00 33.03 C ATOM 1133 C LYS A 73 -20.871 -21.738 -16.299 1.00 60.23 C ATOM 1134 O LYS A 73 -20.264 -22.693 -16.784 1.00 21.32 O ATOM 1135 CB LYS A 73 -23.258 -21.154 -16.768 1.00 4.02 C ATOM 1136 CG LYS A 73 -24.613 -21.823 -16.914 1.00 15.22 C ATOM 1137 CD LYS A 73 -24.600 -22.878 -18.007 1.00 21.11 C ATOM 1138 CE LYS A 73 -24.137 -24.226 -17.475 1.00 4.30 C ATOM 1139 NZ LYS A 73 -24.683 -25.356 -18.276 1.00 15.13 N ATOM 0 H LYS A 73 -23.096 -20.587 -14.376 1.00 24.25 H new ATOM 0 HA LYS A 73 -22.562 -22.950 -15.813 1.00 33.03 H new ATOM 0 HB2 LYS A 73 -23.402 -20.136 -16.407 1.00 4.02 H new ATOM 0 HB3 LYS A 73 -22.790 -21.081 -17.750 1.00 4.02 H new ATOM 0 HG2 LYS A 73 -24.897 -22.282 -15.967 1.00 15.22 H new ATOM 0 HG3 LYS A 73 -25.368 -21.071 -17.142 1.00 15.22 H new ATOM 0 HD2 LYS A 73 -25.599 -22.977 -18.431 1.00 21.11 H new ATOM 0 HD3 LYS A 73 -23.941 -22.559 -18.815 1.00 21.11 H new ATOM 0 HE2 LYS A 73 -23.048 -24.266 -17.486 1.00 4.30 H new ATOM 0 HE3 LYS A 73 -24.449 -24.333 -16.436 1.00 4.30 H new ATOM 0 HZ1 LYS A 73 -24.344 -26.257 -17.881 1.00 15.13 H new ATOM 0 HZ2 LYS A 73 -25.722 -25.333 -18.245 1.00 15.13 H new ATOM 0 HZ3 LYS A 73 -24.364 -25.268 -19.262 1.00 15.13 H new