USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 543 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 30 TYR OH : rot 37:sc= 0.593 USER MOD Set 1.2: A 67 ASN :FLIP amide:sc= -2.15! C(o=-3.3!,f=-1.6!) USER MOD Single : A 16 CYS SG : rot 180:sc= -5.28! USER MOD Single : A 19 TYR OH : rot -165:sc= -3.58 USER MOD Single : A 21 SER OG : rot -31:sc= -0.587! USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -110:sc= -0.489 (180deg=-2.92!) USER MOD Single : A 26 GLN : amide:sc= -0.525 X(o=-0.53,f=-0.29) USER MOD Single : A 27 THR OG1 : rot -30:sc= -0.178 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -144:sc= -1.38 (180deg=-3.32!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 176:sc= -7.61! (180deg=-8.02!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN :FLIP amide:sc= -1.65 F(o=-3.5!,f=-1.7) USER MOD Single : A 52 GLN : amide:sc= -2.76 K(o=-2.8,f=-4.6!) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -8.8! C(o=-8.8!,f=-20!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.315 K(o=-0.32,f=-0.95) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN :FLIP amide:sc= -4.92! C(o=-6.9!,f=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 214 N PHE A 15 0.785 -28.781 -4.370 1.00 40.04 N ATOM 215 CA PHE A 15 -0.684 -28.853 -4.625 1.00 41.01 C ATOM 216 C PHE A 15 -1.360 -27.551 -4.184 1.00 3.21 C ATOM 217 O PHE A 15 -1.020 -26.978 -3.167 1.00 1.15 O ATOM 218 CB PHE A 15 -1.170 -30.033 -3.774 1.00 23.43 C ATOM 219 CG PHE A 15 -2.651 -29.898 -3.504 1.00 44.01 C ATOM 220 CD1 PHE A 15 -3.101 -29.020 -2.511 1.00 53.33 C ATOM 221 CD2 PHE A 15 -3.571 -30.650 -4.245 1.00 21.35 C ATOM 222 CE1 PHE A 15 -4.471 -28.892 -2.259 1.00 14.03 C ATOM 223 CE2 PHE A 15 -4.942 -30.522 -3.992 1.00 30.20 C ATOM 224 CZ PHE A 15 -5.392 -29.643 -2.999 1.00 22.05 C ATOM 0 HA PHE A 15 -0.919 -28.987 -5.681 1.00 41.01 H new ATOM 0 HB2 PHE A 15 -0.970 -30.972 -4.291 1.00 23.43 H new ATOM 0 HB3 PHE A 15 -0.621 -30.064 -2.833 1.00 23.43 H new ATOM 0 HD1 PHE A 15 -2.390 -28.441 -1.939 1.00 53.33 H new ATOM 0 HD2 PHE A 15 -3.223 -31.328 -5.011 1.00 21.35 H new ATOM 0 HE1 PHE A 15 -4.818 -28.214 -1.494 1.00 14.03 H new ATOM 0 HE2 PHE A 15 -5.653 -31.101 -4.563 1.00 30.20 H new ATOM 0 HZ PHE A 15 -6.450 -29.544 -2.804 1.00 22.05 H new ATOM 234 N CYS A 16 -2.320 -27.088 -4.934 1.00 20.43 N ATOM 235 CA CYS A 16 -3.025 -25.831 -4.549 1.00 72.30 C ATOM 236 C CYS A 16 -4.527 -25.971 -4.833 1.00 4.43 C ATOM 237 O CYS A 16 -4.943 -26.802 -5.615 1.00 4.21 O ATOM 238 CB CYS A 16 -2.365 -24.720 -5.389 1.00 74.22 C ATOM 239 SG CYS A 16 -3.214 -24.497 -6.978 1.00 11.15 S ATOM 0 H CYS A 16 -2.648 -27.524 -5.796 1.00 20.43 H new ATOM 0 HA CYS A 16 -2.941 -25.602 -3.487 1.00 72.30 H new ATOM 0 HB2 CYS A 16 -2.380 -23.783 -4.832 1.00 74.22 H new ATOM 0 HB3 CYS A 16 -1.319 -24.969 -5.566 1.00 74.22 H new ATOM 0 HG CYS A 16 -2.630 -23.552 -7.653 1.00 11.15 H new ATOM 245 N VAL A 17 -5.343 -25.178 -4.196 1.00 2.12 N ATOM 246 CA VAL A 17 -6.812 -25.286 -4.426 1.00 43.52 C ATOM 247 C VAL A 17 -7.330 -24.052 -5.166 1.00 21.41 C ATOM 248 O VAL A 17 -7.154 -22.932 -4.727 1.00 3.13 O ATOM 249 CB VAL A 17 -7.442 -25.363 -3.032 1.00 42.24 C ATOM 250 CG1 VAL A 17 -8.809 -26.044 -3.127 1.00 2.10 C ATOM 251 CG2 VAL A 17 -6.541 -26.170 -2.090 1.00 2.43 C ATOM 0 H VAL A 17 -5.058 -24.462 -3.528 1.00 2.12 H new ATOM 0 HA VAL A 17 -7.059 -26.156 -5.035 1.00 43.52 H new ATOM 0 HB VAL A 17 -7.558 -24.353 -2.640 1.00 42.24 H new ATOM 0 HG11 VAL A 17 -9.258 -26.099 -2.135 1.00 2.10 H new ATOM 0 HG12 VAL A 17 -9.457 -25.468 -3.787 1.00 2.10 H new ATOM 0 HG13 VAL A 17 -8.687 -27.051 -3.526 1.00 2.10 H new ATOM 0 HG21 VAL A 17 -6.998 -26.218 -1.102 1.00 2.43 H new ATOM 0 HG22 VAL A 17 -6.416 -27.179 -2.482 1.00 2.43 H new ATOM 0 HG23 VAL A 17 -5.567 -25.687 -2.016 1.00 2.43 H new ATOM 261 N ILE A 18 -7.974 -24.252 -6.279 1.00 74.22 N ATOM 262 CA ILE A 18 -8.514 -23.095 -7.049 1.00 34.32 C ATOM 263 C ILE A 18 -9.972 -22.832 -6.647 1.00 14.12 C ATOM 264 O ILE A 18 -10.857 -23.607 -6.949 1.00 3.14 O ATOM 265 CB ILE A 18 -8.417 -23.524 -8.517 1.00 74.03 C ATOM 266 CG1 ILE A 18 -6.994 -23.285 -9.021 1.00 10.42 C ATOM 267 CG2 ILE A 18 -9.396 -22.707 -9.367 1.00 24.51 C ATOM 268 CD1 ILE A 18 -6.381 -24.617 -9.458 1.00 3.24 C ATOM 0 H ILE A 18 -8.151 -25.168 -6.692 1.00 74.22 H new ATOM 0 HA ILE A 18 -7.967 -22.171 -6.861 1.00 34.32 H new ATOM 0 HB ILE A 18 -8.667 -24.582 -8.597 1.00 74.03 H new ATOM 0 HG12 ILE A 18 -7.005 -22.585 -9.857 1.00 10.42 H new ATOM 0 HG13 ILE A 18 -6.389 -22.834 -8.235 1.00 10.42 H new ATOM 0 HG21 ILE A 18 -9.321 -23.018 -10.409 1.00 24.51 H new ATOM 0 HG22 ILE A 18 -10.413 -22.873 -9.011 1.00 24.51 H new ATOM 0 HG23 ILE A 18 -9.152 -21.648 -9.286 1.00 24.51 H new ATOM 0 HD11 ILE A 18 -5.366 -24.450 -9.818 1.00 3.24 H new ATOM 0 HD12 ILE A 18 -6.357 -25.302 -8.610 1.00 3.24 H new ATOM 0 HD13 ILE A 18 -6.983 -25.050 -10.257 1.00 3.24 H new ATOM 280 N TYR A 19 -10.224 -21.744 -5.968 1.00 4.31 N ATOM 281 CA TYR A 19 -11.622 -21.435 -5.545 1.00 2.30 C ATOM 282 C TYR A 19 -12.332 -20.604 -6.617 1.00 42.21 C ATOM 283 O TYR A 19 -11.705 -20.029 -7.486 1.00 65.01 O ATOM 284 CB TYR A 19 -11.479 -20.621 -4.261 1.00 30.11 C ATOM 285 CG TYR A 19 -11.220 -21.553 -3.100 1.00 2.52 C ATOM 286 CD1 TYR A 19 -9.920 -22.004 -2.843 1.00 63.24 C ATOM 287 CD2 TYR A 19 -12.281 -21.969 -2.286 1.00 64.42 C ATOM 288 CE1 TYR A 19 -9.681 -22.871 -1.768 1.00 11.01 C ATOM 289 CE2 TYR A 19 -12.041 -22.834 -1.212 1.00 13.14 C ATOM 290 CZ TYR A 19 -10.740 -23.285 -0.952 1.00 20.14 C ATOM 291 OH TYR A 19 -10.504 -24.139 0.106 1.00 23.23 O ATOM 0 H TYR A 19 -9.524 -21.057 -5.688 1.00 4.31 H new ATOM 0 HA TYR A 19 -12.212 -22.340 -5.396 1.00 2.30 H new ATOM 0 HB2 TYR A 19 -10.660 -19.908 -4.359 1.00 30.11 H new ATOM 0 HB3 TYR A 19 -12.385 -20.042 -4.082 1.00 30.11 H new ATOM 0 HD1 TYR A 19 -9.102 -21.684 -3.472 1.00 63.24 H new ATOM 0 HD2 TYR A 19 -13.284 -21.623 -2.487 1.00 64.42 H new ATOM 0 HE1 TYR A 19 -8.678 -23.220 -1.569 1.00 11.01 H new ATOM 0 HE2 TYR A 19 -12.859 -23.154 -0.583 1.00 13.14 H new ATOM 0 HH TYR A 19 -11.353 -24.516 0.418 1.00 23.23 H new ATOM 301 N ARG A 20 -13.633 -20.533 -6.555 1.00 61.25 N ATOM 302 CA ARG A 20 -14.382 -19.734 -7.568 1.00 62.51 C ATOM 303 C ARG A 20 -15.401 -18.825 -6.872 1.00 74.34 C ATOM 304 O ARG A 20 -16.031 -19.202 -5.904 1.00 73.21 O ATOM 305 CB ARG A 20 -15.090 -20.765 -8.448 1.00 71.10 C ATOM 306 CG ARG A 20 -16.065 -21.587 -7.602 1.00 50.15 C ATOM 307 CD ARG A 20 -17.120 -22.219 -8.511 1.00 63.03 C ATOM 308 NE ARG A 20 -18.418 -21.964 -7.825 1.00 31.14 N ATOM 309 CZ ARG A 20 -19.526 -22.438 -8.329 1.00 61.14 C ATOM 310 NH1 ARG A 20 -19.593 -23.693 -8.690 1.00 53.42 N ATOM 311 NH2 ARG A 20 -20.564 -21.661 -8.471 1.00 10.24 N ATOM 0 H ARG A 20 -14.209 -20.992 -5.849 1.00 61.25 H new ATOM 0 HA ARG A 20 -13.727 -19.088 -8.152 1.00 62.51 H new ATOM 0 HB2 ARG A 20 -15.627 -20.262 -9.253 1.00 71.10 H new ATOM 0 HB3 ARG A 20 -14.357 -21.422 -8.916 1.00 71.10 H new ATOM 0 HG2 ARG A 20 -15.526 -22.363 -7.058 1.00 50.15 H new ATOM 0 HG3 ARG A 20 -16.544 -20.950 -6.858 1.00 50.15 H new ATOM 0 HD2 ARG A 20 -17.104 -21.772 -9.505 1.00 63.03 H new ATOM 0 HD3 ARG A 20 -16.943 -23.287 -8.638 1.00 63.03 H new ATOM 0 HE ARG A 20 -18.441 -21.420 -6.963 1.00 31.14 H new ATOM 0 HH11 ARG A 20 -18.781 -24.300 -8.578 1.00 53.42 H new ATOM 0 HH12 ARG A 20 -20.457 -24.065 -9.084 1.00 53.42 H new ATOM 0 HH21 ARG A 20 -20.511 -20.682 -8.188 1.00 10.24 H new ATOM 0 HH22 ARG A 20 -21.429 -22.032 -8.865 1.00 10.24 H new ATOM 325 N SER A 21 -15.565 -17.628 -7.360 1.00 63.05 N ATOM 326 CA SER A 21 -16.542 -16.693 -6.733 1.00 4.01 C ATOM 327 C SER A 21 -17.968 -17.086 -7.129 1.00 64.31 C ATOM 328 O SER A 21 -18.240 -17.404 -8.269 1.00 65.00 O ATOM 329 CB SER A 21 -16.187 -15.315 -7.291 1.00 4.12 C ATOM 330 OG SER A 21 -15.003 -14.844 -6.664 1.00 43.41 O ATOM 0 H SER A 21 -15.065 -17.255 -8.167 1.00 63.05 H new ATOM 0 HA SER A 21 -16.497 -16.711 -5.644 1.00 4.01 H new ATOM 0 HB2 SER A 21 -16.042 -15.373 -8.370 1.00 4.12 H new ATOM 0 HB3 SER A 21 -17.006 -14.618 -7.117 1.00 4.12 H new ATOM 0 HG SER A 21 -14.953 -15.198 -5.752 1.00 43.41 H new ATOM 336 N SER A 22 -18.881 -17.070 -6.197 1.00 12.23 N ATOM 337 CA SER A 22 -20.285 -17.449 -6.525 1.00 12.40 C ATOM 338 C SER A 22 -20.836 -16.550 -7.636 1.00 51.13 C ATOM 339 O SER A 22 -21.524 -17.005 -8.528 1.00 12.04 O ATOM 340 CB SER A 22 -21.067 -17.238 -5.230 1.00 13.20 C ATOM 341 OG SER A 22 -20.641 -18.191 -4.264 1.00 33.05 O ATOM 0 H SER A 22 -18.716 -16.811 -5.224 1.00 12.23 H new ATOM 0 HA SER A 22 -20.358 -18.476 -6.884 1.00 12.40 H new ATOM 0 HB2 SER A 22 -20.907 -16.227 -4.856 1.00 13.20 H new ATOM 0 HB3 SER A 22 -22.136 -17.344 -5.416 1.00 13.20 H new ATOM 0 HG SER A 22 -21.140 -18.058 -3.431 1.00 33.05 H new ATOM 347 N LYS A 23 -20.544 -15.280 -7.588 1.00 74.14 N ATOM 348 CA LYS A 23 -21.059 -14.360 -8.644 1.00 1.20 C ATOM 349 C LYS A 23 -20.001 -13.312 -9.001 1.00 63.22 C ATOM 350 O LYS A 23 -19.889 -12.287 -8.358 1.00 3.42 O ATOM 351 CB LYS A 23 -22.283 -13.693 -8.018 1.00 64.20 C ATOM 352 CG LYS A 23 -21.871 -12.990 -6.722 1.00 5.04 C ATOM 353 CD LYS A 23 -22.538 -13.680 -5.530 1.00 44.02 C ATOM 354 CE LYS A 23 -21.928 -13.152 -4.228 1.00 34.31 C ATOM 355 NZ LYS A 23 -20.585 -13.795 -4.133 1.00 64.24 N ATOM 0 H LYS A 23 -19.973 -14.839 -6.867 1.00 74.14 H new ATOM 0 HA LYS A 23 -21.304 -14.886 -9.567 1.00 1.20 H new ATOM 0 HB2 LYS A 23 -22.715 -12.973 -8.714 1.00 64.20 H new ATOM 0 HB3 LYS A 23 -23.052 -14.438 -7.812 1.00 64.20 H new ATOM 0 HG2 LYS A 23 -20.787 -13.016 -6.611 1.00 5.04 H new ATOM 0 HG3 LYS A 23 -22.162 -11.940 -6.757 1.00 5.04 H new ATOM 0 HD2 LYS A 23 -23.612 -13.494 -5.543 1.00 44.02 H new ATOM 0 HD3 LYS A 23 -22.401 -14.759 -5.597 1.00 44.02 H new ATOM 0 HE2 LYS A 23 -21.843 -12.065 -4.246 1.00 34.31 H new ATOM 0 HE3 LYS A 23 -22.549 -13.410 -3.370 1.00 34.31 H new ATOM 0 HZ1 LYS A 23 -20.588 -14.492 -3.361 1.00 64.24 H new ATOM 0 HZ2 LYS A 23 -20.365 -14.273 -5.030 1.00 64.24 H new ATOM 0 HZ3 LYS A 23 -19.865 -13.069 -3.942 1.00 64.24 H new ATOM 369 N ARG A 24 -19.228 -13.560 -10.023 1.00 61.13 N ATOM 370 CA ARG A 24 -18.178 -12.578 -10.426 1.00 23.50 C ATOM 371 C ARG A 24 -17.804 -12.783 -11.896 1.00 11.32 C ATOM 372 O ARG A 24 -18.498 -13.455 -12.634 1.00 40.13 O ATOM 373 CB ARG A 24 -16.982 -12.881 -9.519 1.00 72.04 C ATOM 374 CG ARG A 24 -16.954 -11.887 -8.354 1.00 52.42 C ATOM 375 CD ARG A 24 -16.065 -10.694 -8.717 1.00 4.42 C ATOM 376 NE ARG A 24 -16.678 -9.533 -8.013 1.00 54.21 N ATOM 377 CZ ARG A 24 -16.085 -8.370 -8.034 1.00 35.14 C ATOM 378 NH1 ARG A 24 -14.822 -8.283 -8.349 1.00 4.10 N ATOM 379 NH2 ARG A 24 -16.760 -7.290 -7.742 1.00 61.02 N ATOM 0 H ARG A 24 -19.277 -14.401 -10.598 1.00 61.13 H new ATOM 0 HA ARG A 24 -18.514 -11.546 -10.324 1.00 23.50 H new ATOM 0 HB2 ARG A 24 -17.050 -13.900 -9.139 1.00 72.04 H new ATOM 0 HB3 ARG A 24 -16.055 -12.815 -10.089 1.00 72.04 H new ATOM 0 HG2 ARG A 24 -17.965 -11.545 -8.130 1.00 52.42 H new ATOM 0 HG3 ARG A 24 -16.576 -12.375 -7.456 1.00 52.42 H new ATOM 0 HD2 ARG A 24 -15.037 -10.854 -8.394 1.00 4.42 H new ATOM 0 HD3 ARG A 24 -16.039 -10.534 -9.795 1.00 4.42 H new ATOM 0 HE ARG A 24 -17.561 -9.647 -7.515 1.00 54.21 H new ATOM 0 HH11 ARG A 24 -14.295 -9.125 -8.580 1.00 4.10 H new ATOM 0 HH12 ARG A 24 -14.362 -7.373 -8.364 1.00 4.10 H new ATOM 0 HH21 ARG A 24 -17.748 -7.357 -7.498 1.00 61.02 H new ATOM 0 HH22 ARG A 24 -16.299 -6.380 -7.758 1.00 61.02 H new ATOM 393 N ASP A 25 -16.713 -12.210 -12.331 1.00 63.14 N ATOM 394 CA ASP A 25 -16.302 -12.375 -13.755 1.00 41.11 C ATOM 395 C ASP A 25 -15.103 -13.325 -13.852 1.00 1.52 C ATOM 396 O ASP A 25 -14.007 -12.926 -14.186 1.00 62.31 O ATOM 397 CB ASP A 25 -15.915 -10.973 -14.227 1.00 4.33 C ATOM 398 CG ASP A 25 -17.120 -10.040 -14.093 1.00 4.31 C ATOM 399 OD1 ASP A 25 -18.218 -10.470 -14.408 1.00 20.03 O ATOM 400 OD2 ASP A 25 -16.925 -8.910 -13.676 1.00 21.33 O ATOM 0 H ASP A 25 -16.090 -11.636 -11.763 1.00 63.14 H new ATOM 0 HA ASP A 25 -17.098 -12.802 -14.365 1.00 41.11 H new ATOM 0 HB2 ASP A 25 -15.081 -10.595 -13.635 1.00 4.33 H new ATOM 0 HB3 ASP A 25 -15.580 -11.006 -15.264 1.00 4.33 H new ATOM 405 N GLN A 26 -15.308 -14.583 -13.567 1.00 70.53 N ATOM 406 CA GLN A 26 -14.185 -15.563 -13.644 1.00 54.40 C ATOM 407 C GLN A 26 -13.143 -15.274 -12.558 1.00 34.42 C ATOM 408 O GLN A 26 -11.954 -15.272 -12.810 1.00 50.14 O ATOM 409 CB GLN A 26 -13.578 -15.365 -15.035 1.00 51.42 C ATOM 410 CG GLN A 26 -13.463 -16.717 -15.739 1.00 15.12 C ATOM 411 CD GLN A 26 -14.851 -17.347 -15.874 1.00 23.03 C ATOM 412 OE1 GLN A 26 -15.031 -18.514 -15.589 1.00 14.24 O ATOM 413 NE2 GLN A 26 -15.846 -16.619 -16.297 1.00 12.03 N ATOM 0 H GLN A 26 -16.206 -14.975 -13.284 1.00 70.53 H new ATOM 0 HA GLN A 26 -14.525 -16.587 -13.488 1.00 54.40 H new ATOM 0 HB2 GLN A 26 -14.200 -14.689 -15.622 1.00 51.42 H new ATOM 0 HB3 GLN A 26 -12.595 -14.902 -14.952 1.00 51.42 H new ATOM 0 HG2 GLN A 26 -13.014 -16.588 -16.724 1.00 15.12 H new ATOM 0 HG3 GLN A 26 -12.806 -17.378 -15.173 1.00 15.12 H new ATOM 0 HE21 GLN A 26 -15.695 -15.639 -16.536 1.00 12.03 H new ATOM 0 HE22 GLN A 26 -16.775 -17.029 -16.389 1.00 12.03 H new ATOM 422 N THR A 27 -13.578 -15.036 -11.350 1.00 71.32 N ATOM 423 CA THR A 27 -12.610 -14.756 -10.246 1.00 44.35 C ATOM 424 C THR A 27 -12.285 -16.055 -9.504 1.00 50.33 C ATOM 425 O THR A 27 -13.168 -16.772 -9.079 1.00 32.11 O ATOM 426 CB THR A 27 -13.339 -13.775 -9.324 1.00 4.43 C ATOM 427 OG1 THR A 27 -13.590 -12.564 -10.026 1.00 41.13 O ATOM 428 CG2 THR A 27 -12.479 -13.494 -8.091 1.00 21.00 C ATOM 0 H THR A 27 -14.561 -15.023 -11.078 1.00 71.32 H new ATOM 0 HA THR A 27 -11.666 -14.347 -10.607 1.00 44.35 H new ATOM 0 HB THR A 27 -14.287 -14.209 -9.006 1.00 4.43 H new ATOM 0 HG1 THR A 27 -12.887 -12.421 -10.693 1.00 41.13 H new ATOM 0 HG21 THR A 27 -13.000 -12.795 -7.436 1.00 21.00 H new ATOM 0 HG22 THR A 27 -12.295 -14.425 -7.556 1.00 21.00 H new ATOM 0 HG23 THR A 27 -11.528 -13.060 -8.402 1.00 21.00 H new ATOM 436 N TYR A 28 -11.027 -16.370 -9.346 1.00 3.34 N ATOM 437 CA TYR A 28 -10.674 -17.633 -8.634 1.00 44.11 C ATOM 438 C TYR A 28 -9.543 -17.394 -7.631 1.00 71.31 C ATOM 439 O TYR A 28 -8.651 -16.601 -7.859 1.00 21.24 O ATOM 440 CB TYR A 28 -10.224 -18.594 -9.733 1.00 34.22 C ATOM 441 CG TYR A 28 -11.434 -19.121 -10.471 1.00 73.13 C ATOM 442 CD1 TYR A 28 -12.087 -18.314 -11.409 1.00 44.35 C ATOM 443 CD2 TYR A 28 -11.900 -20.417 -10.215 1.00 52.41 C ATOM 444 CE1 TYR A 28 -13.209 -18.801 -12.091 1.00 60.01 C ATOM 445 CE2 TYR A 28 -13.021 -20.904 -10.898 1.00 23.33 C ATOM 446 CZ TYR A 28 -13.675 -20.097 -11.836 1.00 10.12 C ATOM 447 OH TYR A 28 -14.780 -20.577 -12.510 1.00 44.51 O ATOM 0 H TYR A 28 -10.237 -15.815 -9.675 1.00 3.34 H new ATOM 0 HA TYR A 28 -11.515 -18.027 -8.063 1.00 44.11 H new ATOM 0 HB2 TYR A 28 -9.556 -18.083 -10.427 1.00 34.22 H new ATOM 0 HB3 TYR A 28 -9.661 -19.421 -9.300 1.00 34.22 H new ATOM 0 HD1 TYR A 28 -11.726 -17.316 -11.607 1.00 44.35 H new ATOM 0 HD2 TYR A 28 -11.395 -21.040 -9.492 1.00 52.41 H new ATOM 0 HE1 TYR A 28 -13.715 -18.177 -12.813 1.00 60.01 H new ATOM 0 HE2 TYR A 28 -13.381 -21.903 -10.701 1.00 23.33 H new ATOM 0 HH TYR A 28 -14.970 -21.493 -12.217 1.00 44.51 H new ATOM 457 N LEU A 29 -9.575 -18.082 -6.523 1.00 40.03 N ATOM 458 CA LEU A 29 -8.503 -17.910 -5.498 1.00 35.14 C ATOM 459 C LEU A 29 -7.583 -19.135 -5.499 1.00 50.35 C ATOM 460 O LEU A 29 -7.975 -20.217 -5.889 1.00 0.25 O ATOM 461 CB LEU A 29 -9.246 -17.800 -4.164 1.00 30.23 C ATOM 462 CG LEU A 29 -9.129 -16.371 -3.622 1.00 20.32 C ATOM 463 CD1 LEU A 29 -9.875 -16.271 -2.290 1.00 23.42 C ATOM 464 CD2 LEU A 29 -7.656 -16.025 -3.406 1.00 61.31 C ATOM 0 H LEU A 29 -10.299 -18.758 -6.281 1.00 40.03 H new ATOM 0 HA LEU A 29 -7.879 -17.037 -5.689 1.00 35.14 H new ATOM 0 HB2 LEU A 29 -10.295 -18.063 -4.299 1.00 30.23 H new ATOM 0 HB3 LEU A 29 -8.830 -18.507 -3.446 1.00 30.23 H new ATOM 0 HG LEU A 29 -9.564 -15.674 -4.338 1.00 20.32 H new ATOM 0 HD11 LEU A 29 -9.793 -15.255 -1.903 1.00 23.42 H new ATOM 0 HD12 LEU A 29 -10.926 -16.518 -2.442 1.00 23.42 H new ATOM 0 HD13 LEU A 29 -9.438 -16.968 -1.575 1.00 23.42 H new ATOM 0 HD21 LEU A 29 -7.574 -15.009 -3.021 1.00 61.31 H new ATOM 0 HD22 LEU A 29 -7.220 -16.721 -2.690 1.00 61.31 H new ATOM 0 HD23 LEU A 29 -7.122 -16.098 -4.354 1.00 61.31 H new ATOM 476 N TYR A 30 -6.366 -18.979 -5.062 1.00 71.24 N ATOM 477 CA TYR A 30 -5.432 -20.141 -5.038 1.00 2.13 C ATOM 478 C TYR A 30 -4.781 -20.267 -3.658 1.00 4.14 C ATOM 479 O TYR A 30 -4.406 -19.286 -3.046 1.00 14.14 O ATOM 480 CB TYR A 30 -4.381 -19.836 -6.105 1.00 64.31 C ATOM 481 CG TYR A 30 -4.987 -20.017 -7.477 1.00 34.23 C ATOM 482 CD1 TYR A 30 -5.957 -19.117 -7.933 1.00 11.03 C ATOM 483 CD2 TYR A 30 -4.579 -21.082 -8.290 1.00 73.35 C ATOM 484 CE1 TYR A 30 -6.518 -19.283 -9.205 1.00 1.31 C ATOM 485 CE2 TYR A 30 -5.143 -21.245 -9.563 1.00 14.53 C ATOM 486 CZ TYR A 30 -6.111 -20.346 -10.019 1.00 70.14 C ATOM 487 OH TYR A 30 -6.665 -20.507 -11.272 1.00 30.43 O ATOM 0 H TYR A 30 -5.977 -18.100 -4.721 1.00 71.24 H new ATOM 0 HA TYR A 30 -5.943 -21.083 -5.235 1.00 2.13 H new ATOM 0 HB2 TYR A 30 -4.016 -18.816 -5.989 1.00 64.31 H new ATOM 0 HB3 TYR A 30 -3.523 -20.497 -5.985 1.00 64.31 H new ATOM 0 HD1 TYR A 30 -6.272 -18.297 -7.305 1.00 11.03 H new ATOM 0 HD2 TYR A 30 -3.831 -21.776 -7.937 1.00 73.35 H new ATOM 0 HE1 TYR A 30 -7.266 -18.589 -9.559 1.00 1.31 H new ATOM 0 HE2 TYR A 30 -4.829 -22.065 -10.191 1.00 14.53 H new ATOM 0 HH TYR A 30 -6.821 -19.628 -11.676 1.00 30.43 H new ATOM 497 N VAL A 31 -4.648 -21.465 -3.166 1.00 43.24 N ATOM 498 CA VAL A 31 -4.024 -21.660 -1.821 1.00 33.53 C ATOM 499 C VAL A 31 -3.278 -22.994 -1.775 1.00 44.33 C ATOM 500 O VAL A 31 -3.627 -23.934 -2.461 1.00 44.51 O ATOM 501 CB VAL A 31 -5.177 -21.674 -0.806 1.00 31.31 C ATOM 502 CG1 VAL A 31 -5.400 -20.261 -0.272 1.00 1.24 C ATOM 503 CG2 VAL A 31 -6.467 -22.180 -1.461 1.00 41.00 C ATOM 0 H VAL A 31 -4.944 -22.321 -3.634 1.00 43.24 H new ATOM 0 HA VAL A 31 -3.308 -20.869 -1.601 1.00 33.53 H new ATOM 0 HB VAL A 31 -4.914 -22.344 0.013 1.00 31.31 H new ATOM 0 HG11 VAL A 31 -6.218 -20.269 0.448 1.00 1.24 H new ATOM 0 HG12 VAL A 31 -4.491 -19.908 0.215 1.00 1.24 H new ATOM 0 HG13 VAL A 31 -5.651 -19.595 -1.098 1.00 1.24 H new ATOM 0 HG21 VAL A 31 -7.272 -22.182 -0.726 1.00 41.00 H new ATOM 0 HG22 VAL A 31 -6.735 -21.525 -2.290 1.00 41.00 H new ATOM 0 HG23 VAL A 31 -6.313 -23.193 -1.834 1.00 41.00 H new ATOM 513 N GLU A 32 -2.266 -23.088 -0.961 1.00 33.34 N ATOM 514 CA GLU A 32 -1.514 -24.370 -0.863 1.00 21.31 C ATOM 515 C GLU A 32 -2.460 -25.471 -0.378 1.00 14.15 C ATOM 516 O GLU A 32 -2.169 -26.648 -0.475 1.00 23.24 O ATOM 517 CB GLU A 32 -0.414 -24.112 0.167 1.00 72.23 C ATOM 518 CG GLU A 32 -1.045 -23.807 1.526 1.00 3.10 C ATOM 519 CD GLU A 32 -0.087 -24.233 2.639 1.00 63.33 C ATOM 520 OE1 GLU A 32 1.047 -24.553 2.327 1.00 74.21 O ATOM 521 OE2 GLU A 32 -0.504 -24.233 3.786 1.00 3.51 O ATOM 0 H GLU A 32 -1.927 -22.336 -0.361 1.00 33.34 H new ATOM 0 HA GLU A 32 -1.097 -24.690 -1.818 1.00 21.31 H new ATOM 0 HB2 GLU A 32 0.237 -24.983 0.244 1.00 72.23 H new ATOM 0 HB3 GLU A 32 0.208 -23.276 -0.152 1.00 72.23 H new ATOM 0 HG2 GLU A 32 -1.263 -22.742 1.607 1.00 3.10 H new ATOM 0 HG3 GLU A 32 -1.993 -24.335 1.626 1.00 3.10 H new ATOM 528 N LYS A 33 -3.594 -25.087 0.141 1.00 2.13 N ATOM 529 CA LYS A 33 -4.579 -26.088 0.634 1.00 62.01 C ATOM 530 C LYS A 33 -5.965 -25.441 0.703 1.00 4.35 C ATOM 531 O LYS A 33 -6.105 -24.240 0.583 1.00 10.50 O ATOM 532 CB LYS A 33 -4.086 -26.471 2.031 1.00 2.14 C ATOM 533 CG LYS A 33 -4.366 -25.324 3.007 1.00 34.52 C ATOM 534 CD LYS A 33 -3.269 -25.281 4.073 1.00 75.24 C ATOM 535 CE LYS A 33 -3.365 -23.966 4.848 1.00 71.50 C ATOM 536 NZ LYS A 33 -3.438 -22.907 3.802 1.00 35.34 N ATOM 0 H LYS A 33 -3.882 -24.114 0.245 1.00 2.13 H new ATOM 0 HA LYS A 33 -4.660 -26.961 -0.014 1.00 62.01 H new ATOM 0 HB2 LYS A 33 -4.586 -27.379 2.368 1.00 2.14 H new ATOM 0 HB3 LYS A 33 -3.018 -26.687 2.004 1.00 2.14 H new ATOM 0 HG2 LYS A 33 -4.403 -24.376 2.470 1.00 34.52 H new ATOM 0 HG3 LYS A 33 -5.340 -25.462 3.477 1.00 34.52 H new ATOM 0 HD2 LYS A 33 -3.375 -26.126 4.754 1.00 75.24 H new ATOM 0 HD3 LYS A 33 -2.288 -25.370 3.605 1.00 75.24 H new ATOM 0 HE2 LYS A 33 -4.246 -23.949 5.489 1.00 71.50 H new ATOM 0 HE3 LYS A 33 -2.498 -23.824 5.494 1.00 71.50 H new ATOM 0 HZ1 LYS A 33 -2.921 -22.064 4.125 1.00 35.34 H new ATOM 0 HZ2 LYS A 33 -3.011 -23.259 2.921 1.00 35.34 H new ATOM 0 HZ3 LYS A 33 -4.433 -22.658 3.629 1.00 35.34 H new ATOM 550 N LYS A 34 -6.990 -26.222 0.894 1.00 24.33 N ATOM 551 CA LYS A 34 -8.362 -25.642 0.967 1.00 31.42 C ATOM 552 C LYS A 34 -8.751 -25.381 2.424 1.00 63.21 C ATOM 553 O LYS A 34 -9.709 -25.936 2.927 1.00 10.14 O ATOM 554 CB LYS A 34 -9.272 -26.704 0.349 1.00 1.22 C ATOM 555 CG LYS A 34 -9.308 -27.937 1.255 1.00 71.02 C ATOM 556 CD LYS A 34 -9.574 -29.188 0.413 1.00 65.04 C ATOM 557 CE LYS A 34 -8.582 -30.288 0.806 1.00 2.43 C ATOM 558 NZ LYS A 34 -9.072 -31.510 0.110 1.00 3.05 N ATOM 0 H LYS A 34 -6.939 -27.235 1.003 1.00 24.33 H new ATOM 0 HA LYS A 34 -8.436 -24.688 0.446 1.00 31.42 H new ATOM 0 HB2 LYS A 34 -10.278 -26.305 0.220 1.00 1.22 H new ATOM 0 HB3 LYS A 34 -8.908 -26.978 -0.641 1.00 1.22 H new ATOM 0 HG2 LYS A 34 -8.361 -28.038 1.785 1.00 71.02 H new ATOM 0 HG3 LYS A 34 -10.086 -27.823 2.010 1.00 71.02 H new ATOM 0 HD2 LYS A 34 -10.596 -29.533 0.568 1.00 65.04 H new ATOM 0 HD3 LYS A 34 -9.473 -28.954 -0.647 1.00 65.04 H new ATOM 0 HE2 LYS A 34 -7.568 -30.036 0.495 1.00 2.43 H new ATOM 0 HE3 LYS A 34 -8.558 -30.431 1.886 1.00 2.43 H new ATOM 0 HZ1 LYS A 34 -8.444 -32.310 0.329 1.00 3.05 H new ATOM 0 HZ2 LYS A 34 -10.037 -31.729 0.431 1.00 3.05 H new ATOM 0 HZ3 LYS A 34 -9.078 -31.346 -0.917 1.00 3.05 H new ATOM 572 N ASP A 35 -8.018 -24.547 3.111 1.00 33.24 N ATOM 573 CA ASP A 35 -8.356 -24.267 4.536 1.00 0.10 C ATOM 574 C ASP A 35 -9.178 -22.981 4.660 1.00 45.13 C ATOM 575 O ASP A 35 -10.359 -23.014 4.942 1.00 11.11 O ATOM 576 CB ASP A 35 -7.006 -24.107 5.240 1.00 64.41 C ATOM 577 CG ASP A 35 -6.853 -25.192 6.306 1.00 0.50 C ATOM 578 OD1 ASP A 35 -7.778 -25.368 7.083 1.00 11.03 O ATOM 579 OD2 ASP A 35 -5.812 -25.831 6.329 1.00 35.33 O ATOM 0 H ASP A 35 -7.204 -24.050 2.750 1.00 33.24 H new ATOM 0 HA ASP A 35 -8.958 -25.064 4.973 1.00 0.10 H new ATOM 0 HB2 ASP A 35 -6.195 -24.178 4.515 1.00 64.41 H new ATOM 0 HB3 ASP A 35 -6.938 -23.120 5.698 1.00 64.41 H new ATOM 584 N ASP A 36 -8.563 -21.846 4.464 1.00 2.41 N ATOM 585 CA ASP A 36 -9.314 -20.563 4.583 1.00 41.25 C ATOM 586 C ASP A 36 -8.500 -19.406 4.001 1.00 31.42 C ATOM 587 O ASP A 36 -7.347 -19.555 3.650 1.00 32.11 O ATOM 588 CB ASP A 36 -9.531 -20.357 6.082 1.00 64.42 C ATOM 589 CG ASP A 36 -10.893 -20.925 6.485 1.00 21.11 C ATOM 590 OD1 ASP A 36 -11.855 -20.660 5.781 1.00 2.12 O ATOM 591 OD2 ASP A 36 -10.953 -21.612 7.491 1.00 54.22 O ATOM 0 H ASP A 36 -7.575 -21.752 4.227 1.00 2.41 H new ATOM 0 HA ASP A 36 -10.256 -20.596 4.035 1.00 41.25 H new ATOM 0 HB2 ASP A 36 -8.739 -20.850 6.646 1.00 64.42 H new ATOM 0 HB3 ASP A 36 -9.482 -19.295 6.325 1.00 64.42 H new ATOM 596 N PHE A 37 -9.095 -18.251 3.909 1.00 34.41 N ATOM 597 CA PHE A 37 -8.368 -17.069 3.364 1.00 21.41 C ATOM 598 C PHE A 37 -8.364 -15.949 4.409 1.00 53.13 C ATOM 599 O PHE A 37 -9.344 -15.257 4.595 1.00 12.21 O ATOM 600 CB PHE A 37 -9.175 -16.642 2.138 1.00 5.24 C ATOM 601 CG PHE A 37 -8.861 -17.551 0.976 1.00 14.42 C ATOM 602 CD1 PHE A 37 -9.615 -18.712 0.770 1.00 64.34 C ATOM 603 CD2 PHE A 37 -7.816 -17.233 0.099 1.00 23.33 C ATOM 604 CE1 PHE A 37 -9.328 -19.554 -0.312 1.00 11.50 C ATOM 605 CE2 PHE A 37 -7.528 -18.073 -0.983 1.00 54.33 C ATOM 606 CZ PHE A 37 -8.283 -19.235 -1.189 1.00 65.33 C ATOM 0 H PHE A 37 -10.059 -18.072 4.189 1.00 34.41 H new ATOM 0 HA PHE A 37 -7.331 -17.292 3.112 1.00 21.41 H new ATOM 0 HB2 PHE A 37 -10.241 -16.679 2.362 1.00 5.24 H new ATOM 0 HB3 PHE A 37 -8.940 -15.610 1.878 1.00 5.24 H new ATOM 0 HD1 PHE A 37 -10.420 -18.959 1.447 1.00 64.34 H new ATOM 0 HD2 PHE A 37 -7.232 -16.339 0.258 1.00 23.33 H new ATOM 0 HE1 PHE A 37 -9.912 -20.449 -0.470 1.00 11.50 H new ATOM 0 HE2 PHE A 37 -6.723 -17.825 -1.659 1.00 54.33 H new ATOM 0 HZ PHE A 37 -8.060 -19.884 -2.023 1.00 65.33 H new ATOM 616 N SER A 38 -7.269 -15.777 5.101 1.00 52.51 N ATOM 617 CA SER A 38 -7.205 -14.706 6.142 1.00 24.23 C ATOM 618 C SER A 38 -6.247 -13.595 5.710 1.00 4.12 C ATOM 619 O SER A 38 -6.163 -12.555 6.337 1.00 41.35 O ATOM 620 CB SER A 38 -6.684 -15.405 7.396 1.00 54.42 C ATOM 621 OG SER A 38 -6.277 -14.428 8.344 1.00 44.52 O ATOM 0 H SER A 38 -6.418 -16.329 4.992 1.00 52.51 H new ATOM 0 HA SER A 38 -8.175 -14.237 6.307 1.00 24.23 H new ATOM 0 HB2 SER A 38 -7.461 -16.040 7.822 1.00 54.42 H new ATOM 0 HB3 SER A 38 -5.846 -16.054 7.143 1.00 54.42 H new ATOM 0 HG SER A 38 -5.944 -14.874 9.151 1.00 44.52 H new ATOM 627 N ARG A 39 -5.517 -13.803 4.651 1.00 63.23 N ATOM 628 CA ARG A 39 -4.559 -12.760 4.189 1.00 74.15 C ATOM 629 C ARG A 39 -5.212 -11.865 3.135 1.00 75.30 C ATOM 630 O ARG A 39 -4.794 -10.747 2.911 1.00 42.11 O ATOM 631 CB ARG A 39 -3.390 -13.539 3.588 1.00 54.33 C ATOM 632 CG ARG A 39 -2.109 -12.708 3.695 1.00 22.23 C ATOM 633 CD ARG A 39 -2.308 -11.365 2.989 1.00 62.24 C ATOM 634 NE ARG A 39 -0.931 -10.871 2.706 1.00 41.15 N ATOM 635 CZ ARG A 39 -0.711 -9.591 2.573 1.00 3.15 C ATOM 636 NH1 ARG A 39 -0.963 -8.780 3.564 1.00 63.32 N ATOM 637 NH2 ARG A 39 -0.239 -9.122 1.452 1.00 15.51 N ATOM 0 H ARG A 39 -5.542 -14.651 4.084 1.00 63.23 H new ATOM 0 HA ARG A 39 -4.239 -12.105 4.999 1.00 74.15 H new ATOM 0 HB2 ARG A 39 -3.265 -14.487 4.111 1.00 54.33 H new ATOM 0 HB3 ARG A 39 -3.596 -13.775 2.544 1.00 54.33 H new ATOM 0 HG2 ARG A 39 -1.855 -12.546 4.743 1.00 22.23 H new ATOM 0 HG3 ARG A 39 -1.275 -13.247 3.245 1.00 22.23 H new ATOM 0 HD2 ARG A 39 -2.882 -11.483 2.070 1.00 62.24 H new ATOM 0 HD3 ARG A 39 -2.857 -10.665 3.619 1.00 62.24 H new ATOM 0 HE ARG A 39 -0.160 -11.533 2.616 1.00 41.15 H new ATOM 0 HH11 ARG A 39 -1.332 -9.146 4.442 1.00 63.32 H new ATOM 0 HH12 ARG A 39 -0.791 -7.780 3.461 1.00 63.32 H new ATOM 0 HH21 ARG A 39 -0.041 -9.755 0.677 1.00 15.51 H new ATOM 0 HH22 ARG A 39 -0.068 -8.122 1.350 1.00 15.51 H new ATOM 651 N VAL A 40 -6.239 -12.344 2.485 1.00 51.05 N ATOM 652 CA VAL A 40 -6.907 -11.509 1.452 1.00 52.31 C ATOM 653 C VAL A 40 -7.550 -10.284 2.104 1.00 72.22 C ATOM 654 O VAL A 40 -8.264 -10.401 3.080 1.00 41.31 O ATOM 655 CB VAL A 40 -7.977 -12.410 0.836 1.00 64.34 C ATOM 656 CG1 VAL A 40 -9.018 -12.769 1.899 1.00 71.14 C ATOM 657 CG2 VAL A 40 -8.663 -11.665 -0.312 1.00 21.21 C ATOM 0 H VAL A 40 -6.640 -13.271 2.625 1.00 51.05 H new ATOM 0 HA VAL A 40 -6.206 -11.143 0.702 1.00 52.31 H new ATOM 0 HB VAL A 40 -7.513 -13.322 0.459 1.00 64.34 H new ATOM 0 HG11 VAL A 40 -9.781 -13.411 1.459 1.00 71.14 H new ATOM 0 HG12 VAL A 40 -8.532 -13.294 2.722 1.00 71.14 H new ATOM 0 HG13 VAL A 40 -9.484 -11.858 2.275 1.00 71.14 H new ATOM 0 HG21 VAL A 40 -9.427 -12.304 -0.755 1.00 21.21 H new ATOM 0 HG22 VAL A 40 -9.127 -10.756 0.070 1.00 21.21 H new ATOM 0 HG23 VAL A 40 -7.924 -11.405 -1.070 1.00 21.21 H new ATOM 667 N PRO A 41 -7.272 -9.143 1.541 1.00 72.04 N ATOM 668 CA PRO A 41 -7.825 -7.870 2.071 1.00 13.25 C ATOM 669 C PRO A 41 -9.333 -7.789 1.815 1.00 31.31 C ATOM 670 O PRO A 41 -9.833 -8.287 0.826 1.00 21.10 O ATOM 671 CB PRO A 41 -7.079 -6.799 1.275 1.00 54.24 C ATOM 672 CG PRO A 41 -6.661 -7.482 0.013 1.00 54.14 C ATOM 673 CD PRO A 41 -6.424 -8.927 0.365 1.00 42.31 C ATOM 0 HA PRO A 41 -7.697 -7.763 3.148 1.00 13.25 H new ATOM 0 HB2 PRO A 41 -7.720 -5.942 1.067 1.00 54.24 H new ATOM 0 HB3 PRO A 41 -6.216 -6.425 1.827 1.00 54.24 H new ATOM 0 HG2 PRO A 41 -7.433 -7.391 -0.751 1.00 54.14 H new ATOM 0 HG3 PRO A 41 -5.756 -7.028 -0.392 1.00 54.14 H new ATOM 0 HD2 PRO A 41 -6.701 -9.589 -0.455 1.00 42.31 H new ATOM 0 HD3 PRO A 41 -5.374 -9.118 0.588 1.00 42.31 H new ATOM 681 N GLU A 42 -10.060 -7.161 2.700 1.00 11.32 N ATOM 682 CA GLU A 42 -11.537 -7.045 2.508 1.00 70.32 C ATOM 683 C GLU A 42 -11.841 -6.136 1.316 1.00 1.11 C ATOM 684 O GLU A 42 -12.952 -6.095 0.823 1.00 33.32 O ATOM 685 CB GLU A 42 -12.059 -6.425 3.806 1.00 73.24 C ATOM 686 CG GLU A 42 -13.299 -7.187 4.275 1.00 31.03 C ATOM 687 CD GLU A 42 -14.086 -6.321 5.261 1.00 21.03 C ATOM 688 OE1 GLU A 42 -13.699 -5.182 5.458 1.00 41.02 O ATOM 689 OE2 GLU A 42 -15.065 -6.813 5.802 1.00 14.44 O ATOM 0 H GLU A 42 -9.697 -6.724 3.547 1.00 11.32 H new ATOM 0 HA GLU A 42 -12.006 -8.007 2.302 1.00 70.32 H new ATOM 0 HB2 GLU A 42 -11.286 -6.460 4.574 1.00 73.24 H new ATOM 0 HB3 GLU A 42 -12.304 -5.375 3.647 1.00 73.24 H new ATOM 0 HG2 GLU A 42 -13.925 -7.445 3.421 1.00 31.03 H new ATOM 0 HG3 GLU A 42 -13.006 -8.123 4.750 1.00 31.03 H new ATOM 696 N GLU A 43 -10.865 -5.408 0.843 1.00 45.32 N ATOM 697 CA GLU A 43 -11.103 -4.509 -0.323 1.00 11.10 C ATOM 698 C GLU A 43 -11.281 -5.350 -1.589 1.00 60.05 C ATOM 699 O GLU A 43 -12.094 -5.050 -2.440 1.00 1.14 O ATOM 700 CB GLU A 43 -9.848 -3.633 -0.418 1.00 40.33 C ATOM 701 CG GLU A 43 -8.711 -4.420 -1.077 1.00 1.51 C ATOM 702 CD GLU A 43 -7.455 -3.549 -1.146 1.00 4.10 C ATOM 703 OE1 GLU A 43 -7.487 -2.454 -0.610 1.00 12.34 O ATOM 704 OE2 GLU A 43 -6.482 -3.993 -1.733 1.00 51.50 O ATOM 0 H GLU A 43 -9.915 -5.397 1.213 1.00 45.32 H new ATOM 0 HA GLU A 43 -12.002 -3.903 -0.211 1.00 11.10 H new ATOM 0 HB2 GLU A 43 -10.064 -2.735 -0.997 1.00 40.33 H new ATOM 0 HB3 GLU A 43 -9.546 -3.306 0.577 1.00 40.33 H new ATOM 0 HG2 GLU A 43 -8.506 -5.327 -0.508 1.00 1.51 H new ATOM 0 HG3 GLU A 43 -9.005 -4.732 -2.079 1.00 1.51 H new ATOM 711 N LEU A 44 -10.529 -6.408 -1.706 1.00 54.23 N ATOM 712 CA LEU A 44 -10.648 -7.287 -2.899 1.00 33.42 C ATOM 713 C LEU A 44 -11.698 -8.364 -2.635 1.00 11.21 C ATOM 714 O LEU A 44 -12.590 -8.588 -3.428 1.00 65.03 O ATOM 715 CB LEU A 44 -9.261 -7.909 -3.066 1.00 13.31 C ATOM 716 CG LEU A 44 -8.900 -7.969 -4.549 1.00 42.40 C ATOM 717 CD1 LEU A 44 -7.506 -7.379 -4.758 1.00 62.32 C ATOM 718 CD2 LEU A 44 -8.910 -9.426 -5.013 1.00 22.41 C ATOM 0 H LEU A 44 -9.833 -6.702 -1.021 1.00 54.23 H new ATOM 0 HA LEU A 44 -10.958 -6.749 -3.795 1.00 33.42 H new ATOM 0 HB2 LEU A 44 -8.520 -7.320 -2.525 1.00 13.31 H new ATOM 0 HB3 LEU A 44 -9.247 -8.911 -2.637 1.00 13.31 H new ATOM 0 HG LEU A 44 -9.627 -7.396 -5.125 1.00 42.40 H new ATOM 0 HD11 LEU A 44 -7.248 -7.422 -5.816 1.00 62.32 H new ATOM 0 HD12 LEU A 44 -7.496 -6.342 -4.423 1.00 62.32 H new ATOM 0 HD13 LEU A 44 -6.778 -7.952 -4.184 1.00 62.32 H new ATOM 0 HD21 LEU A 44 -8.653 -9.473 -6.071 1.00 22.41 H new ATOM 0 HD22 LEU A 44 -8.181 -9.996 -4.437 1.00 22.41 H new ATOM 0 HD23 LEU A 44 -9.903 -9.849 -4.862 1.00 22.41 H new ATOM 730 N MET A 45 -11.607 -9.021 -1.510 1.00 55.23 N ATOM 731 CA MET A 45 -12.608 -10.070 -1.180 1.00 24.51 C ATOM 732 C MET A 45 -14.011 -9.467 -1.233 1.00 64.35 C ATOM 733 O MET A 45 -14.998 -10.164 -1.367 1.00 11.21 O ATOM 734 CB MET A 45 -12.264 -10.514 0.241 1.00 25.33 C ATOM 735 CG MET A 45 -13.195 -11.654 0.660 1.00 70.03 C ATOM 736 SD MET A 45 -12.394 -12.649 1.943 1.00 55.14 S ATOM 737 CE MET A 45 -11.545 -13.807 0.839 1.00 50.14 C ATOM 0 H MET A 45 -10.882 -8.875 -0.807 1.00 55.23 H new ATOM 0 HA MET A 45 -12.587 -10.908 -1.877 1.00 24.51 H new ATOM 0 HB2 MET A 45 -11.226 -10.842 0.289 1.00 25.33 H new ATOM 0 HB3 MET A 45 -12.366 -9.675 0.930 1.00 25.33 H new ATOM 0 HG2 MET A 45 -14.136 -11.250 1.033 1.00 70.03 H new ATOM 0 HG3 MET A 45 -13.435 -12.277 -0.202 1.00 70.03 H new ATOM 0 HE1 MET A 45 -10.922 -14.480 1.428 1.00 50.14 H new ATOM 0 HE2 MET A 45 -12.282 -14.387 0.284 1.00 50.14 H new ATOM 0 HE3 MET A 45 -10.920 -13.251 0.140 1.00 50.14 H new ATOM 747 N LYS A 46 -14.104 -8.169 -1.132 1.00 75.41 N ATOM 748 CA LYS A 46 -15.436 -7.504 -1.180 1.00 11.02 C ATOM 749 C LYS A 46 -16.237 -8.032 -2.372 1.00 62.42 C ATOM 750 O LYS A 46 -17.446 -8.131 -2.328 1.00 0.24 O ATOM 751 CB LYS A 46 -15.128 -6.016 -1.354 1.00 54.34 C ATOM 752 CG LYS A 46 -16.031 -5.196 -0.432 1.00 15.23 C ATOM 753 CD LYS A 46 -17.401 -5.018 -1.087 1.00 4.50 C ATOM 754 CE LYS A 46 -18.167 -3.899 -0.379 1.00 73.24 C ATOM 755 NZ LYS A 46 -18.855 -3.153 -1.469 1.00 1.14 N ATOM 0 H LYS A 46 -13.311 -7.538 -1.018 1.00 75.41 H new ATOM 0 HA LYS A 46 -16.030 -7.692 -0.286 1.00 11.02 H new ATOM 0 HB2 LYS A 46 -14.081 -5.821 -1.122 1.00 54.34 H new ATOM 0 HB3 LYS A 46 -15.285 -5.720 -2.391 1.00 54.34 H new ATOM 0 HG2 LYS A 46 -16.138 -5.698 0.530 1.00 15.23 H new ATOM 0 HG3 LYS A 46 -15.581 -4.223 -0.236 1.00 15.23 H new ATOM 0 HD2 LYS A 46 -17.282 -4.779 -2.144 1.00 4.50 H new ATOM 0 HD3 LYS A 46 -17.965 -5.949 -1.033 1.00 4.50 H new ATOM 0 HE2 LYS A 46 -18.884 -4.303 0.336 1.00 73.24 H new ATOM 0 HE3 LYS A 46 -17.492 -3.250 0.178 1.00 73.24 H new ATOM 0 HZ1 LYS A 46 -19.402 -2.368 -1.061 1.00 1.14 H new ATOM 0 HZ2 LYS A 46 -18.148 -2.774 -2.131 1.00 1.14 H new ATOM 0 HZ3 LYS A 46 -19.496 -3.795 -1.978 1.00 1.14 H new ATOM 769 N GLY A 47 -15.566 -8.369 -3.438 1.00 51.31 N ATOM 770 CA GLY A 47 -16.285 -8.890 -4.637 1.00 54.21 C ATOM 771 C GLY A 47 -16.432 -10.409 -4.524 1.00 34.10 C ATOM 772 O GLY A 47 -17.478 -10.963 -4.790 1.00 15.33 O ATOM 0 H GLY A 47 -14.552 -8.307 -3.532 1.00 51.31 H new ATOM 0 HA2 GLY A 47 -17.267 -8.424 -4.716 1.00 54.21 H new ATOM 0 HA3 GLY A 47 -15.736 -8.633 -5.543 1.00 54.21 H new ATOM 776 N PHE A 48 -15.387 -11.088 -4.131 1.00 3.33 N ATOM 777 CA PHE A 48 -15.467 -12.572 -4.002 1.00 33.11 C ATOM 778 C PHE A 48 -16.585 -12.958 -3.033 1.00 51.34 C ATOM 779 O PHE A 48 -17.470 -13.724 -3.363 1.00 50.52 O ATOM 780 CB PHE A 48 -14.107 -12.995 -3.446 1.00 12.43 C ATOM 781 CG PHE A 48 -13.695 -14.307 -4.070 1.00 41.42 C ATOM 782 CD1 PHE A 48 -14.612 -15.362 -4.154 1.00 3.14 C ATOM 783 CD2 PHE A 48 -12.396 -14.469 -4.566 1.00 74.30 C ATOM 784 CE1 PHE A 48 -14.230 -16.578 -4.734 1.00 70.12 C ATOM 785 CE2 PHE A 48 -12.014 -15.685 -5.143 1.00 24.11 C ATOM 786 CZ PHE A 48 -12.931 -16.738 -5.227 1.00 45.32 C ATOM 0 H PHE A 48 -14.483 -10.680 -3.894 1.00 3.33 H new ATOM 0 HA PHE A 48 -15.688 -13.058 -4.952 1.00 33.11 H new ATOM 0 HB2 PHE A 48 -13.361 -12.229 -3.658 1.00 12.43 H new ATOM 0 HB3 PHE A 48 -14.161 -13.096 -2.362 1.00 12.43 H new ATOM 0 HD1 PHE A 48 -15.614 -15.238 -3.771 1.00 3.14 H new ATOM 0 HD2 PHE A 48 -11.689 -13.655 -4.503 1.00 74.30 H new ATOM 0 HE1 PHE A 48 -14.938 -17.391 -4.801 1.00 70.12 H new ATOM 0 HE2 PHE A 48 -11.011 -15.811 -5.524 1.00 24.11 H new ATOM 0 HZ PHE A 48 -12.635 -17.676 -5.673 1.00 45.32 H new ATOM 796 N GLY A 49 -16.553 -12.438 -1.836 1.00 54.14 N ATOM 797 CA GLY A 49 -17.615 -12.781 -0.848 1.00 14.30 C ATOM 798 C GLY A 49 -17.374 -14.193 -0.311 1.00 5.24 C ATOM 799 O GLY A 49 -16.578 -14.402 0.582 1.00 50.23 O ATOM 0 H GLY A 49 -15.839 -11.792 -1.500 1.00 54.14 H new ATOM 0 HA2 GLY A 49 -17.610 -12.063 -0.028 1.00 14.30 H new ATOM 0 HA3 GLY A 49 -18.597 -12.722 -1.318 1.00 14.30 H new ATOM 803 N GLN A 50 -18.057 -15.166 -0.852 1.00 63.22 N ATOM 804 CA GLN A 50 -17.865 -16.565 -0.373 1.00 44.32 C ATOM 805 C GLN A 50 -17.212 -17.412 -1.469 1.00 0.21 C ATOM 806 O GLN A 50 -17.802 -17.646 -2.504 1.00 34.53 O ATOM 807 CB GLN A 50 -19.275 -17.071 -0.066 1.00 64.51 C ATOM 808 CG GLN A 50 -19.528 -17.000 1.442 1.00 12.24 C ATOM 809 CD GLN A 50 -19.572 -15.535 1.882 1.00 52.42 C ATOM 810 OE1 GLN A 50 -18.458 -14.917 2.163 1.00 74.22 O flip ATOM 811 NE2 GLN A 50 -20.632 -14.947 1.971 1.00 14.24 N flip ATOM 0 H GLN A 50 -18.738 -15.053 -1.603 1.00 63.22 H new ATOM 0 HA GLN A 50 -17.214 -16.622 0.499 1.00 44.32 H new ATOM 0 HB2 GLN A 50 -20.012 -16.469 -0.598 1.00 64.51 H new ATOM 0 HB3 GLN A 50 -19.389 -18.097 -0.416 1.00 64.51 H new ATOM 0 HG2 GLN A 50 -20.468 -17.493 1.688 1.00 12.24 H new ATOM 0 HG3 GLN A 50 -18.741 -17.529 1.979 1.00 12.24 H new ATOM 0 HE21 GLN A 50 -21.503 -15.430 1.751 1.00 14.24 H new ATOM 0 HE22 GLN A 50 -20.650 -13.971 2.265 1.00 14.24 H new ATOM 820 N PRO A 51 -16.008 -17.844 -1.202 1.00 73.05 N ATOM 821 CA PRO A 51 -15.263 -18.671 -2.182 1.00 54.25 C ATOM 822 C PRO A 51 -15.828 -20.094 -2.223 1.00 22.50 C ATOM 823 O PRO A 51 -16.335 -20.600 -1.242 1.00 3.33 O ATOM 824 CB PRO A 51 -13.835 -18.669 -1.639 1.00 64.05 C ATOM 825 CG PRO A 51 -13.976 -18.407 -0.173 1.00 52.13 C ATOM 826 CD PRO A 51 -15.236 -17.602 0.021 1.00 71.22 C ATOM 0 HA PRO A 51 -15.328 -18.290 -3.201 1.00 54.25 H new ATOM 0 HB2 PRO A 51 -13.342 -19.623 -1.823 1.00 64.05 H new ATOM 0 HB3 PRO A 51 -13.231 -17.900 -2.121 1.00 64.05 H new ATOM 0 HG2 PRO A 51 -14.030 -19.344 0.381 1.00 52.13 H new ATOM 0 HG3 PRO A 51 -13.111 -17.863 0.205 1.00 52.13 H new ATOM 0 HD2 PRO A 51 -15.782 -17.924 0.907 1.00 71.22 H new ATOM 0 HD3 PRO A 51 -15.016 -16.542 0.150 1.00 71.22 H new ATOM 834 N GLN A 52 -15.745 -20.743 -3.354 1.00 41.01 N ATOM 835 CA GLN A 52 -16.277 -22.131 -3.461 1.00 52.13 C ATOM 836 C GLN A 52 -15.241 -23.043 -4.126 1.00 13.21 C ATOM 837 O GLN A 52 -14.346 -22.584 -4.810 1.00 2.04 O ATOM 838 CB GLN A 52 -17.526 -22.013 -4.338 1.00 13.12 C ATOM 839 CG GLN A 52 -18.424 -20.897 -3.802 1.00 73.33 C ATOM 840 CD GLN A 52 -18.819 -21.207 -2.357 1.00 72.33 C ATOM 841 OE1 GLN A 52 -18.668 -22.323 -1.898 1.00 71.40 O ATOM 842 NE2 GLN A 52 -19.322 -20.257 -1.613 1.00 63.15 N ATOM 0 H GLN A 52 -15.331 -20.371 -4.209 1.00 41.01 H new ATOM 0 HA GLN A 52 -16.504 -22.562 -2.486 1.00 52.13 H new ATOM 0 HB2 GLN A 52 -17.241 -21.801 -5.368 1.00 13.12 H new ATOM 0 HB3 GLN A 52 -18.068 -22.958 -4.345 1.00 13.12 H new ATOM 0 HG2 GLN A 52 -17.902 -19.941 -3.850 1.00 73.33 H new ATOM 0 HG3 GLN A 52 -19.316 -20.805 -4.422 1.00 73.33 H new ATOM 0 HE21 GLN A 52 -19.449 -19.321 -1.998 1.00 63.15 H new ATOM 0 HE22 GLN A 52 -19.588 -20.452 -0.648 1.00 63.15 H new ATOM 851 N LEU A 53 -15.351 -24.327 -3.929 1.00 44.04 N ATOM 852 CA LEU A 53 -14.372 -25.266 -4.546 1.00 43.05 C ATOM 853 C LEU A 53 -14.823 -25.650 -5.959 1.00 44.10 C ATOM 854 O LEU A 53 -15.734 -26.435 -6.138 1.00 25.24 O ATOM 855 CB LEU A 53 -14.369 -26.491 -3.633 1.00 45.13 C ATOM 856 CG LEU A 53 -12.957 -27.083 -3.579 1.00 44.50 C ATOM 857 CD1 LEU A 53 -12.537 -27.531 -4.978 1.00 73.04 C ATOM 858 CD2 LEU A 53 -11.980 -26.023 -3.070 1.00 34.23 C ATOM 0 H LEU A 53 -16.078 -24.768 -3.366 1.00 44.04 H new ATOM 0 HA LEU A 53 -13.380 -24.825 -4.639 1.00 43.05 H new ATOM 0 HB2 LEU A 53 -14.697 -26.212 -2.631 1.00 45.13 H new ATOM 0 HB3 LEU A 53 -15.073 -27.236 -4.003 1.00 45.13 H new ATOM 0 HG LEU A 53 -12.949 -27.940 -2.906 1.00 44.50 H new ATOM 0 HD11 LEU A 53 -11.532 -27.952 -4.939 1.00 73.04 H new ATOM 0 HD12 LEU A 53 -13.233 -28.286 -5.342 1.00 73.04 H new ATOM 0 HD13 LEU A 53 -12.545 -26.675 -5.652 1.00 73.04 H new ATOM 0 HD21 LEU A 53 -10.975 -26.443 -3.031 1.00 34.23 H new ATOM 0 HD22 LEU A 53 -11.989 -25.166 -3.744 1.00 34.23 H new ATOM 0 HD23 LEU A 53 -12.278 -25.703 -2.072 1.00 34.23 H new ATOM 870 N ALA A 54 -14.192 -25.107 -6.964 1.00 34.32 N ATOM 871 CA ALA A 54 -14.581 -25.445 -8.363 1.00 1.21 C ATOM 872 C ALA A 54 -13.569 -26.418 -8.968 1.00 53.24 C ATOM 873 O ALA A 54 -13.926 -27.355 -9.658 1.00 61.33 O ATOM 874 CB ALA A 54 -14.560 -24.116 -9.117 1.00 53.21 C ATOM 0 H ALA A 54 -13.423 -24.443 -6.877 1.00 34.32 H new ATOM 0 HA ALA A 54 -15.558 -25.925 -8.414 1.00 1.21 H new ATOM 0 HB1 ALA A 54 -14.837 -24.284 -10.158 1.00 53.21 H new ATOM 0 HB2 ALA A 54 -15.270 -23.427 -8.659 1.00 53.21 H new ATOM 0 HB3 ALA A 54 -13.559 -23.688 -9.072 1.00 53.21 H new ATOM 880 N MET A 55 -12.308 -26.205 -8.717 1.00 73.14 N ATOM 881 CA MET A 55 -11.270 -27.117 -9.276 1.00 55.41 C ATOM 882 C MET A 55 -10.103 -27.255 -8.294 1.00 40.21 C ATOM 883 O MET A 55 -9.678 -26.297 -7.679 1.00 62.31 O ATOM 884 CB MET A 55 -10.806 -26.448 -10.568 1.00 61.34 C ATOM 885 CG MET A 55 -10.438 -27.519 -11.596 1.00 12.25 C ATOM 886 SD MET A 55 -8.645 -27.766 -11.595 1.00 11.34 S ATOM 887 CE MET A 55 -8.259 -26.585 -12.910 1.00 44.24 C ATOM 0 H MET A 55 -11.950 -25.438 -8.148 1.00 73.14 H new ATOM 0 HA MET A 55 -11.656 -28.121 -9.454 1.00 55.41 H new ATOM 0 HB2 MET A 55 -11.595 -25.807 -10.962 1.00 61.34 H new ATOM 0 HB3 MET A 55 -9.946 -25.809 -10.370 1.00 61.34 H new ATOM 0 HG2 MET A 55 -10.945 -28.455 -11.359 1.00 12.25 H new ATOM 0 HG3 MET A 55 -10.774 -27.217 -12.588 1.00 12.25 H new ATOM 0 HE1 MET A 55 -7.183 -26.571 -13.082 1.00 44.24 H new ATOM 0 HE2 MET A 55 -8.769 -26.881 -13.826 1.00 44.24 H new ATOM 0 HE3 MET A 55 -8.592 -25.590 -12.615 1.00 44.24 H new ATOM 897 N ILE A 56 -9.582 -28.441 -8.145 1.00 25.20 N ATOM 898 CA ILE A 56 -8.444 -28.642 -7.206 1.00 1.51 C ATOM 899 C ILE A 56 -7.158 -28.901 -7.993 1.00 42.42 C ATOM 900 O ILE A 56 -7.093 -29.784 -8.825 1.00 55.10 O ATOM 901 CB ILE A 56 -8.826 -29.869 -6.382 1.00 1.31 C ATOM 902 CG1 ILE A 56 -9.960 -29.507 -5.423 1.00 11.25 C ATOM 903 CG2 ILE A 56 -7.616 -30.344 -5.577 1.00 44.21 C ATOM 904 CD1 ILE A 56 -10.355 -30.744 -4.613 1.00 50.12 C ATOM 0 H ILE A 56 -9.895 -29.280 -8.633 1.00 25.20 H new ATOM 0 HA ILE A 56 -8.263 -27.771 -6.577 1.00 1.51 H new ATOM 0 HB ILE A 56 -9.153 -30.665 -7.051 1.00 1.31 H new ATOM 0 HG12 ILE A 56 -9.644 -28.706 -4.754 1.00 11.25 H new ATOM 0 HG13 ILE A 56 -10.819 -29.135 -5.982 1.00 11.25 H new ATOM 0 HG21 ILE A 56 -7.891 -31.220 -4.990 1.00 44.21 H new ATOM 0 HG22 ILE A 56 -6.805 -30.604 -6.258 1.00 44.21 H new ATOM 0 HG23 ILE A 56 -7.288 -29.548 -4.909 1.00 44.21 H new ATOM 0 HD11 ILE A 56 -11.164 -30.488 -3.928 1.00 50.12 H new ATOM 0 HD12 ILE A 56 -10.688 -31.531 -5.290 1.00 50.12 H new ATOM 0 HD13 ILE A 56 -9.495 -31.096 -4.043 1.00 50.12 H new ATOM 916 N LEU A 57 -6.136 -28.138 -7.731 1.00 70.43 N ATOM 917 CA LEU A 57 -4.851 -28.334 -8.456 1.00 24.33 C ATOM 918 C LEU A 57 -4.041 -29.449 -7.784 1.00 63.53 C ATOM 919 O LEU A 57 -3.679 -29.346 -6.629 1.00 24.34 O ATOM 920 CB LEU A 57 -4.143 -26.986 -8.324 1.00 71.52 C ATOM 921 CG LEU A 57 -2.986 -26.879 -9.326 1.00 11.23 C ATOM 922 CD1 LEU A 57 -2.074 -28.104 -9.216 1.00 72.41 C ATOM 923 CD2 LEU A 57 -3.548 -26.781 -10.745 1.00 1.12 C ATOM 0 H LEU A 57 -6.135 -27.384 -7.044 1.00 70.43 H new ATOM 0 HA LEU A 57 -4.983 -28.629 -9.497 1.00 24.33 H new ATOM 0 HB2 LEU A 57 -4.854 -26.178 -8.495 1.00 71.52 H new ATOM 0 HB3 LEU A 57 -3.764 -26.867 -7.309 1.00 71.52 H new ATOM 0 HG LEU A 57 -2.403 -25.986 -9.101 1.00 11.23 H new ATOM 0 HD11 LEU A 57 -1.257 -28.015 -9.932 1.00 72.41 H new ATOM 0 HD12 LEU A 57 -1.666 -28.165 -8.207 1.00 72.41 H new ATOM 0 HD13 LEU A 57 -2.648 -29.005 -9.430 1.00 72.41 H new ATOM 0 HD21 LEU A 57 -2.726 -26.705 -11.457 1.00 1.12 H new ATOM 0 HD22 LEU A 57 -4.138 -27.671 -10.965 1.00 1.12 H new ATOM 0 HD23 LEU A 57 -4.181 -25.897 -10.825 1.00 1.12 H new ATOM 935 N PRO A 58 -3.792 -30.486 -8.538 1.00 52.33 N ATOM 936 CA PRO A 58 -3.023 -31.647 -8.020 1.00 11.02 C ATOM 937 C PRO A 58 -1.538 -31.304 -7.874 1.00 54.11 C ATOM 938 O PRO A 58 -1.065 -30.305 -8.372 1.00 34.35 O ATOM 939 CB PRO A 58 -3.221 -32.714 -9.093 1.00 72.25 C ATOM 940 CG PRO A 58 -3.514 -31.949 -10.345 1.00 21.41 C ATOM 941 CD PRO A 58 -4.206 -30.679 -9.929 1.00 14.11 C ATOM 0 HA PRO A 58 -3.356 -31.963 -7.032 1.00 11.02 H new ATOM 0 HB2 PRO A 58 -2.330 -33.331 -9.206 1.00 72.25 H new ATOM 0 HB3 PRO A 58 -4.042 -33.384 -8.838 1.00 72.25 H new ATOM 0 HG2 PRO A 58 -2.594 -31.728 -10.887 1.00 21.41 H new ATOM 0 HG3 PRO A 58 -4.146 -32.532 -11.015 1.00 21.41 H new ATOM 0 HD2 PRO A 58 -3.906 -29.838 -10.555 1.00 14.11 H new ATOM 0 HD3 PRO A 58 -5.289 -30.769 -10.014 1.00 14.11 H new ATOM 949 N LEU A 59 -0.807 -32.143 -7.197 1.00 51.42 N ATOM 950 CA LEU A 59 0.656 -31.899 -7.015 1.00 22.32 C ATOM 951 C LEU A 59 1.457 -33.003 -7.702 1.00 53.00 C ATOM 952 O LEU A 59 2.205 -33.726 -7.070 1.00 23.22 O ATOM 953 CB LEU A 59 0.904 -31.930 -5.501 1.00 2.32 C ATOM 954 CG LEU A 59 0.007 -32.981 -4.835 1.00 52.11 C ATOM 955 CD1 LEU A 59 0.264 -34.354 -5.458 1.00 12.33 C ATOM 956 CD2 LEU A 59 0.324 -33.039 -3.338 1.00 33.51 C ATOM 0 H LEU A 59 -1.159 -32.994 -6.758 1.00 51.42 H new ATOM 0 HA LEU A 59 0.963 -30.948 -7.450 1.00 22.32 H new ATOM 0 HB2 LEU A 59 1.951 -32.157 -5.302 1.00 2.32 H new ATOM 0 HB3 LEU A 59 0.704 -30.948 -5.073 1.00 2.32 H new ATOM 0 HG LEU A 59 -1.038 -32.708 -4.983 1.00 52.11 H new ATOM 0 HD11 LEU A 59 -0.376 -35.096 -4.981 1.00 12.33 H new ATOM 0 HD12 LEU A 59 0.043 -34.317 -6.525 1.00 12.33 H new ATOM 0 HD13 LEU A 59 1.309 -34.629 -5.313 1.00 12.33 H new ATOM 0 HD21 LEU A 59 -0.311 -33.785 -2.860 1.00 33.51 H new ATOM 0 HD22 LEU A 59 1.370 -33.310 -3.198 1.00 33.51 H new ATOM 0 HD23 LEU A 59 0.139 -32.063 -2.889 1.00 33.51 H new ATOM 1090 N ASN A 67 -6.496 -19.357 -16.850 1.00 61.34 N ATOM 1091 CA ASN A 67 -6.823 -18.029 -16.250 1.00 2.41 C ATOM 1092 C ASN A 67 -5.636 -17.490 -15.445 1.00 14.30 C ATOM 1093 O ASN A 67 -5.165 -16.395 -15.682 1.00 2.05 O ATOM 1094 CB ASN A 67 -8.029 -18.281 -15.340 1.00 54.40 C ATOM 1095 CG ASN A 67 -7.819 -19.568 -14.542 1.00 34.30 C ATOM 1096 OD1 ASN A 67 -7.629 -19.499 -13.253 1.00 61.20 O flip ATOM 1097 ND2 ASN A 67 -7.828 -20.650 -15.097 1.00 32.23 N flip ATOM 0 HA ASN A 67 -7.042 -17.283 -17.013 1.00 2.41 H new ATOM 0 HB2 ASN A 67 -8.165 -17.440 -14.661 1.00 54.40 H new ATOM 0 HB3 ASN A 67 -8.937 -18.358 -15.938 1.00 54.40 H new ATOM 0 HD21 ASN A 67 -7.976 -20.705 -16.105 1.00 32.23 H new ATOM 0 HD22 ASN A 67 -7.687 -21.502 -14.555 1.00 32.23 H new ATOM 1104 N ALA A 68 -5.147 -18.243 -14.499 1.00 55.04 N ATOM 1105 CA ALA A 68 -3.992 -17.760 -13.688 1.00 13.32 C ATOM 1106 C ALA A 68 -2.758 -18.618 -13.949 1.00 21.41 C ATOM 1107 O ALA A 68 -2.856 -19.772 -14.317 1.00 3.33 O ATOM 1108 CB ALA A 68 -4.443 -17.899 -12.234 1.00 1.50 C ATOM 0 H ALA A 68 -5.495 -19.169 -14.252 1.00 55.04 H new ATOM 0 HA ALA A 68 -3.719 -16.734 -13.936 1.00 13.32 H new ATOM 0 HB1 ALA A 68 -3.645 -17.563 -11.572 1.00 1.50 H new ATOM 0 HB2 ALA A 68 -5.332 -17.291 -12.069 1.00 1.50 H new ATOM 0 HB3 ALA A 68 -4.674 -18.943 -12.023 1.00 1.50 H new ATOM 1114 N ASP A 69 -1.593 -18.067 -13.751 1.00 62.31 N ATOM 1115 CA ASP A 69 -0.353 -18.856 -13.977 1.00 34.53 C ATOM 1116 C ASP A 69 0.109 -19.468 -12.655 1.00 12.41 C ATOM 1117 O ASP A 69 0.559 -18.779 -11.762 1.00 20.42 O ATOM 1118 CB ASP A 69 0.675 -17.846 -14.488 1.00 22.34 C ATOM 1119 CG ASP A 69 0.092 -17.077 -15.675 1.00 24.41 C ATOM 1120 OD1 ASP A 69 -1.019 -17.388 -16.067 1.00 40.31 O ATOM 1121 OD2 ASP A 69 0.767 -16.190 -16.168 1.00 12.41 O ATOM 0 H ASP A 69 -1.447 -17.106 -13.443 1.00 62.31 H new ATOM 0 HA ASP A 69 -0.499 -19.674 -14.683 1.00 34.53 H new ATOM 0 HB2 ASP A 69 0.947 -17.154 -13.691 1.00 22.34 H new ATOM 0 HB3 ASP A 69 1.588 -18.361 -14.788 1.00 22.34 H new ATOM 1126 N ILE A 70 -0.005 -20.758 -12.526 1.00 34.33 N ATOM 1127 CA ILE A 70 0.424 -21.420 -11.260 1.00 31.12 C ATOM 1128 C ILE A 70 1.795 -20.884 -10.822 1.00 31.50 C ATOM 1129 O ILE A 70 2.071 -20.744 -9.648 1.00 64.24 O ATOM 1130 CB ILE A 70 0.459 -22.924 -11.593 1.00 14.32 C ATOM 1131 CG1 ILE A 70 -0.288 -23.695 -10.504 1.00 53.24 C ATOM 1132 CG2 ILE A 70 1.901 -23.440 -11.682 1.00 32.43 C ATOM 1133 CD1 ILE A 70 0.318 -23.365 -9.138 1.00 24.21 C ATOM 0 H ILE A 70 -0.376 -21.385 -13.240 1.00 34.33 H new ATOM 0 HA ILE A 70 -0.248 -21.224 -10.425 1.00 31.12 H new ATOM 0 HB ILE A 70 -0.018 -23.075 -12.561 1.00 14.32 H new ATOM 0 HG12 ILE A 70 -1.346 -23.432 -10.518 1.00 53.24 H new ATOM 0 HG13 ILE A 70 -0.224 -24.767 -10.693 1.00 53.24 H new ATOM 0 HG21 ILE A 70 1.893 -24.504 -11.918 1.00 32.43 H new ATOM 0 HG22 ILE A 70 2.433 -22.899 -12.464 1.00 32.43 H new ATOM 0 HG23 ILE A 70 2.403 -23.284 -10.727 1.00 32.43 H new ATOM 0 HD11 ILE A 70 -0.214 -23.914 -8.362 1.00 24.21 H new ATOM 0 HD12 ILE A 70 1.370 -23.650 -9.128 1.00 24.21 H new ATOM 0 HD13 ILE A 70 0.231 -22.295 -8.950 1.00 24.21 H new ATOM 1145 N GLU A 71 2.655 -20.585 -11.760 1.00 35.43 N ATOM 1146 CA GLU A 71 4.002 -20.063 -11.392 1.00 64.25 C ATOM 1147 C GLU A 71 3.867 -18.708 -10.696 1.00 41.02 C ATOM 1148 O GLU A 71 4.475 -18.460 -9.673 1.00 25.33 O ATOM 1149 CB GLU A 71 4.746 -19.907 -12.719 1.00 30.42 C ATOM 1150 CG GLU A 71 5.454 -21.218 -13.066 1.00 33.03 C ATOM 1151 CD GLU A 71 5.047 -21.661 -14.472 1.00 45.01 C ATOM 1152 OE1 GLU A 71 4.727 -20.798 -15.273 1.00 70.24 O ATOM 1153 OE2 GLU A 71 5.063 -22.854 -14.724 1.00 21.32 O ATOM 0 H GLU A 71 2.483 -20.680 -12.761 1.00 35.43 H new ATOM 0 HA GLU A 71 4.528 -20.727 -10.706 1.00 64.25 H new ATOM 0 HB2 GLU A 71 4.046 -19.639 -13.511 1.00 30.42 H new ATOM 0 HB3 GLU A 71 5.472 -19.097 -12.648 1.00 30.42 H new ATOM 0 HG2 GLU A 71 6.535 -21.085 -13.014 1.00 33.03 H new ATOM 0 HG3 GLU A 71 5.192 -21.988 -12.340 1.00 33.03 H new ATOM 1160 N LYS A 72 3.075 -17.828 -11.243 1.00 0.20 N ATOM 1161 CA LYS A 72 2.899 -16.489 -10.615 1.00 10.22 C ATOM 1162 C LYS A 72 2.169 -16.626 -9.276 1.00 3.42 C ATOM 1163 O LYS A 72 2.050 -15.679 -8.525 1.00 61.12 O ATOM 1164 CB LYS A 72 2.051 -15.697 -11.612 1.00 4.41 C ATOM 1165 CG LYS A 72 2.955 -15.136 -12.712 1.00 32.13 C ATOM 1166 CD LYS A 72 3.017 -13.612 -12.589 1.00 34.31 C ATOM 1167 CE LYS A 72 4.262 -13.214 -11.793 1.00 0.24 C ATOM 1168 NZ LYS A 72 4.672 -11.896 -12.353 1.00 21.21 N ATOM 0 H LYS A 72 2.541 -17.979 -12.099 1.00 0.20 H new ATOM 0 HA LYS A 72 3.850 -15.999 -10.408 1.00 10.22 H new ATOM 0 HB2 LYS A 72 1.286 -16.340 -12.047 1.00 4.41 H new ATOM 0 HB3 LYS A 72 1.533 -14.885 -11.102 1.00 4.41 H new ATOM 0 HG2 LYS A 72 3.956 -15.560 -12.627 1.00 32.13 H new ATOM 0 HG3 LYS A 72 2.571 -15.418 -13.693 1.00 32.13 H new ATOM 0 HD2 LYS A 72 3.045 -13.158 -13.579 1.00 34.31 H new ATOM 0 HD3 LYS A 72 2.121 -13.240 -12.093 1.00 34.31 H new ATOM 0 HE2 LYS A 72 4.042 -13.139 -10.728 1.00 0.24 H new ATOM 0 HE3 LYS A 72 5.055 -13.954 -11.904 1.00 0.24 H new ATOM 0 HZ1 LYS A 72 5.521 -11.557 -11.857 1.00 21.21 H new ATOM 0 HZ2 LYS A 72 4.881 -11.999 -13.366 1.00 21.21 H new ATOM 0 HZ3 LYS A 72 3.900 -11.210 -12.227 1.00 21.21 H new ATOM 1182 N VAL A 73 1.675 -17.795 -8.973 1.00 61.21 N ATOM 1183 CA VAL A 73 0.949 -17.993 -7.682 1.00 12.13 C ATOM 1184 C VAL A 73 1.900 -18.509 -6.595 1.00 24.40 C ATOM 1185 O VAL A 73 1.661 -18.336 -5.418 1.00 24.15 O ATOM 1186 CB VAL A 73 -0.119 -19.041 -7.991 1.00 24.23 C ATOM 1187 CG1 VAL A 73 -0.847 -19.421 -6.701 1.00 72.23 C ATOM 1188 CG2 VAL A 73 -1.121 -18.462 -8.991 1.00 41.33 C ATOM 0 H VAL A 73 1.742 -18.624 -9.563 1.00 61.21 H new ATOM 0 HA VAL A 73 0.523 -17.062 -7.308 1.00 12.13 H new ATOM 0 HB VAL A 73 0.351 -19.928 -8.417 1.00 24.23 H new ATOM 0 HG11 VAL A 73 -1.609 -20.169 -6.920 1.00 72.23 H new ATOM 0 HG12 VAL A 73 -0.132 -19.830 -5.987 1.00 72.23 H new ATOM 0 HG13 VAL A 73 -1.319 -18.536 -6.275 1.00 72.23 H new ATOM 0 HG21 VAL A 73 -1.885 -19.207 -9.214 1.00 41.33 H new ATOM 0 HG22 VAL A 73 -1.592 -17.577 -8.563 1.00 41.33 H new ATOM 0 HG23 VAL A 73 -0.602 -18.189 -9.910 1.00 41.33 H new ATOM 1198 N LYS A 74 2.964 -19.156 -6.983 1.00 61.24 N ATOM 1199 CA LYS A 74 3.922 -19.705 -5.974 1.00 35.33 C ATOM 1200 C LYS A 74 4.427 -18.607 -5.029 1.00 3.13 C ATOM 1201 O LYS A 74 4.363 -18.738 -3.823 1.00 10.43 O ATOM 1202 CB LYS A 74 5.073 -20.272 -6.800 1.00 2.22 C ATOM 1203 CG LYS A 74 4.552 -21.409 -7.683 1.00 41.52 C ATOM 1204 CD LYS A 74 4.228 -22.621 -6.808 1.00 52.00 C ATOM 1205 CE LYS A 74 2.725 -22.911 -6.870 1.00 41.41 C ATOM 1206 NZ LYS A 74 2.373 -23.401 -5.508 1.00 71.24 N ATOM 0 H LYS A 74 3.214 -19.330 -7.956 1.00 61.24 H new ATOM 0 HA LYS A 74 3.453 -20.457 -5.339 1.00 35.33 H new ATOM 0 HB2 LYS A 74 5.512 -19.489 -7.418 1.00 2.22 H new ATOM 0 HB3 LYS A 74 5.861 -20.639 -6.142 1.00 2.22 H new ATOM 0 HG2 LYS A 74 3.661 -21.087 -8.222 1.00 41.52 H new ATOM 0 HG3 LYS A 74 5.299 -21.675 -8.431 1.00 41.52 H new ATOM 0 HD2 LYS A 74 4.791 -23.490 -7.149 1.00 52.00 H new ATOM 0 HD3 LYS A 74 4.530 -22.430 -5.778 1.00 52.00 H new ATOM 0 HE2 LYS A 74 2.160 -22.015 -7.126 1.00 41.41 H new ATOM 0 HE3 LYS A 74 2.498 -23.659 -7.630 1.00 41.41 H new ATOM 0 HZ1 LYS A 74 1.357 -23.621 -5.470 1.00 71.24 H new ATOM 0 HZ2 LYS A 74 2.922 -24.258 -5.295 1.00 71.24 H new ATOM 0 HZ3 LYS A 74 2.594 -22.666 -4.807 1.00 71.24 H new ATOM 1220 N GLN A 75 4.948 -17.537 -5.563 1.00 21.12 N ATOM 1221 CA GLN A 75 5.476 -16.449 -4.682 1.00 44.34 C ATOM 1222 C GLN A 75 4.376 -15.899 -3.769 1.00 12.13 C ATOM 1223 O GLN A 75 4.643 -15.171 -2.833 1.00 45.14 O ATOM 1224 CB GLN A 75 6.007 -15.353 -5.624 1.00 53.04 C ATOM 1225 CG GLN A 75 5.019 -15.073 -6.767 1.00 43.41 C ATOM 1226 CD GLN A 75 3.626 -14.790 -6.208 1.00 65.53 C ATOM 1227 OE1 GLN A 75 2.736 -15.609 -6.317 1.00 62.15 O ATOM 1228 NE2 GLN A 75 3.395 -13.655 -5.607 1.00 13.01 N ATOM 0 H GLN A 75 5.032 -17.366 -6.565 1.00 21.12 H new ATOM 0 HA GLN A 75 6.263 -16.822 -4.027 1.00 44.34 H new ATOM 0 HB2 GLN A 75 6.181 -14.438 -5.059 1.00 53.04 H new ATOM 0 HB3 GLN A 75 6.968 -15.660 -6.038 1.00 53.04 H new ATOM 0 HG2 GLN A 75 5.363 -14.221 -7.353 1.00 43.41 H new ATOM 0 HG3 GLN A 75 4.981 -15.929 -7.441 1.00 43.41 H new ATOM 0 HE21 GLN A 75 4.141 -12.966 -5.514 1.00 13.01 H new ATOM 0 HE22 GLN A 75 2.468 -13.457 -5.230 1.00 13.01 H new ATOM 1237 N ALA A 76 3.143 -16.236 -4.027 1.00 15.41 N ATOM 1238 CA ALA A 76 2.038 -15.730 -3.167 1.00 64.40 C ATOM 1239 C ALA A 76 1.705 -16.753 -2.081 1.00 33.41 C ATOM 1240 O ALA A 76 1.519 -16.413 -0.931 1.00 22.22 O ATOM 1241 CB ALA A 76 0.852 -15.546 -4.110 1.00 64.51 C ATOM 0 H ALA A 76 2.853 -16.840 -4.796 1.00 15.41 H new ATOM 0 HA ALA A 76 2.302 -14.802 -2.660 1.00 64.40 H new ATOM 0 HB1 ALA A 76 -0.005 -15.174 -3.549 1.00 64.51 H new ATOM 0 HB2 ALA A 76 1.114 -14.830 -4.889 1.00 64.51 H new ATOM 0 HB3 ALA A 76 0.599 -16.503 -4.567 1.00 64.51 H new ATOM 1247 N LEU A 77 1.633 -18.006 -2.437 1.00 54.12 N ATOM 1248 CA LEU A 77 1.317 -19.045 -1.418 1.00 51.31 C ATOM 1249 C LEU A 77 2.535 -19.285 -0.520 1.00 72.31 C ATOM 1250 O LEU A 77 2.415 -19.768 0.590 1.00 32.34 O ATOM 1251 CB LEU A 77 0.973 -20.303 -2.216 1.00 75.01 C ATOM 1252 CG LEU A 77 -0.134 -19.979 -3.222 1.00 30.30 C ATOM 1253 CD1 LEU A 77 -0.562 -21.257 -3.945 1.00 10.51 C ATOM 1254 CD2 LEU A 77 -1.336 -19.386 -2.481 1.00 14.10 C ATOM 0 H LEU A 77 1.779 -18.354 -3.385 1.00 54.12 H new ATOM 0 HA LEU A 77 0.495 -18.749 -0.766 1.00 51.31 H new ATOM 0 HB2 LEU A 77 1.857 -20.670 -2.737 1.00 75.01 H new ATOM 0 HB3 LEU A 77 0.648 -21.096 -1.543 1.00 75.01 H new ATOM 0 HG LEU A 77 0.238 -19.259 -3.951 1.00 30.30 H new ATOM 0 HD11 LEU A 77 -1.350 -21.024 -4.661 1.00 10.51 H new ATOM 0 HD12 LEU A 77 0.293 -21.681 -4.472 1.00 10.51 H new ATOM 0 HD13 LEU A 77 -0.934 -21.979 -3.218 1.00 10.51 H new ATOM 0 HD21 LEU A 77 -2.126 -19.154 -3.196 1.00 14.10 H new ATOM 0 HD22 LEU A 77 -1.706 -20.107 -1.752 1.00 14.10 H new ATOM 0 HD23 LEU A 77 -1.033 -18.474 -1.967 1.00 14.10 H new ATOM 1266 N THR A 78 3.704 -18.938 -0.987 1.00 23.15 N ATOM 1267 CA THR A 78 4.927 -19.136 -0.158 1.00 72.41 C ATOM 1268 C THR A 78 5.162 -17.904 0.724 1.00 12.42 C ATOM 1269 O THR A 78 5.712 -17.994 1.803 1.00 3.10 O ATOM 1270 CB THR A 78 6.070 -19.311 -1.164 1.00 55.01 C ATOM 1271 OG1 THR A 78 7.196 -19.873 -0.506 1.00 53.32 O ATOM 1272 CG2 THR A 78 6.450 -17.951 -1.756 1.00 32.14 C ATOM 0 H THR A 78 3.865 -18.526 -1.906 1.00 23.15 H new ATOM 0 HA THR A 78 4.845 -19.995 0.508 1.00 72.41 H new ATOM 0 HB THR A 78 5.747 -19.975 -1.966 1.00 55.01 H new ATOM 0 HG1 THR A 78 7.927 -19.987 -1.148 1.00 53.32 H new ATOM 0 HG21 THR A 78 7.263 -18.080 -2.471 1.00 32.14 H new ATOM 0 HG22 THR A 78 5.586 -17.520 -2.263 1.00 32.14 H new ATOM 0 HG23 THR A 78 6.772 -17.283 -0.957 1.00 32.14 H new ATOM 1280 N GLU A 79 4.741 -16.755 0.268 1.00 54.20 N ATOM 1281 CA GLU A 79 4.930 -15.515 1.072 1.00 0.20 C ATOM 1282 C GLU A 79 3.672 -15.227 1.893 1.00 43.04 C ATOM 1283 O GLU A 79 3.739 -14.922 3.067 1.00 0.13 O ATOM 1284 CB GLU A 79 5.162 -14.410 0.042 1.00 15.40 C ATOM 1285 CG GLU A 79 6.490 -14.655 -0.680 1.00 44.50 C ATOM 1286 CD GLU A 79 7.608 -13.901 0.042 1.00 50.24 C ATOM 1287 OE1 GLU A 79 7.675 -12.694 -0.111 1.00 35.32 O ATOM 1288 OE2 GLU A 79 8.374 -14.546 0.737 1.00 75.11 O ATOM 0 H GLU A 79 4.273 -16.622 -0.629 1.00 54.20 H new ATOM 0 HA GLU A 79 5.759 -15.597 1.775 1.00 0.20 H new ATOM 0 HB2 GLU A 79 4.343 -14.391 -0.677 1.00 15.40 H new ATOM 0 HB3 GLU A 79 5.177 -13.437 0.534 1.00 15.40 H new ATOM 0 HG2 GLU A 79 6.712 -15.722 -0.704 1.00 44.50 H new ATOM 0 HG3 GLU A 79 6.421 -14.321 -1.715 1.00 44.50 H new ATOM 1295 N GLN A 80 2.524 -15.325 1.283 1.00 61.10 N ATOM 1296 CA GLN A 80 1.257 -15.060 2.023 1.00 62.11 C ATOM 1297 C GLN A 80 0.526 -16.378 2.274 1.00 33.13 C ATOM 1298 O GLN A 80 0.252 -16.749 3.398 1.00 23.24 O ATOM 1299 CB GLN A 80 0.413 -14.162 1.108 1.00 63.24 C ATOM 1300 CG GLN A 80 1.304 -13.183 0.333 1.00 1.20 C ATOM 1301 CD GLN A 80 0.502 -12.577 -0.819 1.00 30.22 C ATOM 1302 OE1 GLN A 80 0.412 -11.371 -0.945 1.00 64.31 O ATOM 1303 NE2 GLN A 80 -0.089 -13.368 -1.674 1.00 75.12 N ATOM 0 H GLN A 80 2.407 -15.578 0.302 1.00 61.10 H new ATOM 0 HA GLN A 80 1.442 -14.587 2.987 1.00 62.11 H new ATOM 0 HB2 GLN A 80 -0.153 -14.777 0.409 1.00 63.24 H new ATOM 0 HB3 GLN A 80 -0.312 -13.607 1.704 1.00 63.24 H new ATOM 0 HG2 GLN A 80 1.662 -12.396 0.996 1.00 1.20 H new ATOM 0 HG3 GLN A 80 2.183 -13.700 -0.052 1.00 1.20 H new ATOM 0 HE21 GLN A 80 -0.014 -14.380 -1.569 1.00 75.12 H new ATOM 0 HE22 GLN A 80 -0.626 -12.974 -2.447 1.00 75.12 H new ATOM 1312 N GLY A 81 0.216 -17.090 1.227 1.00 44.44 N ATOM 1313 CA GLY A 81 -0.493 -18.387 1.386 1.00 53.33 C ATOM 1314 C GLY A 81 -1.756 -18.392 0.524 1.00 11.11 C ATOM 1315 O GLY A 81 -2.520 -19.336 0.535 1.00 63.42 O ATOM 0 H GLY A 81 0.425 -16.827 0.264 1.00 44.44 H new ATOM 0 HA2 GLY A 81 0.161 -19.208 1.094 1.00 53.33 H new ATOM 0 HA3 GLY A 81 -0.754 -18.544 2.432 1.00 53.33 H new ATOM 1319 N TYR A 82 -1.979 -17.346 -0.225 1.00 5.30 N ATOM 1320 CA TYR A 82 -3.195 -17.298 -1.090 1.00 3.33 C ATOM 1321 C TYR A 82 -2.936 -16.410 -2.309 1.00 20.12 C ATOM 1322 O TYR A 82 -2.232 -15.424 -2.234 1.00 31.20 O ATOM 1323 CB TYR A 82 -4.314 -16.690 -0.230 1.00 20.53 C ATOM 1324 CG TYR A 82 -4.102 -17.018 1.230 1.00 71.41 C ATOM 1325 CD1 TYR A 82 -3.132 -16.327 1.964 1.00 10.14 C ATOM 1326 CD2 TYR A 82 -4.874 -18.007 1.850 1.00 31.03 C ATOM 1327 CE1 TYR A 82 -2.929 -16.627 3.315 1.00 1.11 C ATOM 1328 CE2 TYR A 82 -4.672 -18.307 3.204 1.00 43.33 C ATOM 1329 CZ TYR A 82 -3.701 -17.617 3.936 1.00 43.02 C ATOM 1330 OH TYR A 82 -3.501 -17.912 5.269 1.00 52.14 O ATOM 0 H TYR A 82 -1.375 -16.525 -0.276 1.00 5.30 H new ATOM 0 HA TYR A 82 -3.464 -18.291 -1.450 1.00 3.33 H new ATOM 0 HB2 TYR A 82 -4.337 -15.609 -0.366 1.00 20.53 H new ATOM 0 HB3 TYR A 82 -5.280 -17.073 -0.558 1.00 20.53 H new ATOM 0 HD1 TYR A 82 -2.539 -15.561 1.487 1.00 10.14 H new ATOM 0 HD2 TYR A 82 -5.625 -18.539 1.285 1.00 31.03 H new ATOM 0 HE1 TYR A 82 -2.177 -16.095 3.879 1.00 1.11 H new ATOM 0 HE2 TYR A 82 -5.267 -19.071 3.682 1.00 43.33 H new ATOM 0 HH TYR A 82 -4.119 -18.621 5.543 1.00 52.14 H new ATOM 1340 N TYR A 83 -3.509 -16.749 -3.428 1.00 25.42 N ATOM 1341 CA TYR A 83 -3.310 -15.922 -4.653 1.00 54.02 C ATOM 1342 C TYR A 83 -4.627 -15.816 -5.418 1.00 35.21 C ATOM 1343 O TYR A 83 -5.182 -16.803 -5.859 1.00 44.14 O ATOM 1344 CB TYR A 83 -2.267 -16.669 -5.481 1.00 64.03 C ATOM 1345 CG TYR A 83 -2.049 -15.941 -6.784 1.00 25.00 C ATOM 1346 CD1 TYR A 83 -3.024 -15.994 -7.790 1.00 13.51 C ATOM 1347 CD2 TYR A 83 -0.874 -15.216 -6.989 1.00 73.21 C ATOM 1348 CE1 TYR A 83 -2.818 -15.317 -8.999 1.00 53.30 C ATOM 1349 CE2 TYR A 83 -0.666 -14.540 -8.197 1.00 51.31 C ATOM 1350 CZ TYR A 83 -1.639 -14.591 -9.203 1.00 71.31 C ATOM 1351 OH TYR A 83 -1.435 -13.927 -10.395 1.00 63.41 O ATOM 0 H TYR A 83 -4.109 -17.565 -3.549 1.00 25.42 H new ATOM 0 HA TYR A 83 -2.984 -14.908 -4.422 1.00 54.02 H new ATOM 0 HB2 TYR A 83 -1.330 -16.739 -4.929 1.00 64.03 H new ATOM 0 HB3 TYR A 83 -2.601 -17.689 -5.673 1.00 64.03 H new ATOM 0 HD1 TYR A 83 -3.933 -16.556 -7.633 1.00 13.51 H new ATOM 0 HD2 TYR A 83 -0.123 -15.176 -6.214 1.00 73.21 H new ATOM 0 HE1 TYR A 83 -3.569 -15.355 -9.774 1.00 53.30 H new ATOM 0 HE2 TYR A 83 0.244 -13.980 -8.353 1.00 51.31 H new ATOM 0 HH TYR A 83 -0.567 -13.472 -10.372 1.00 63.41 H new ATOM 1361 N LEU A 84 -5.140 -14.628 -5.572 1.00 45.23 N ATOM 1362 CA LEU A 84 -6.431 -14.464 -6.299 1.00 44.21 C ATOM 1363 C LEU A 84 -6.185 -14.083 -7.756 1.00 12.25 C ATOM 1364 O LEU A 84 -5.463 -13.153 -8.055 1.00 71.14 O ATOM 1365 CB LEU A 84 -7.154 -13.338 -5.563 1.00 74.22 C ATOM 1366 CG LEU A 84 -8.450 -12.986 -6.299 1.00 54.52 C ATOM 1367 CD1 LEU A 84 -9.182 -14.267 -6.704 1.00 61.24 C ATOM 1368 CD2 LEU A 84 -9.347 -12.160 -5.374 1.00 21.42 C ATOM 0 H LEU A 84 -4.723 -13.764 -5.227 1.00 45.23 H new ATOM 0 HA LEU A 84 -7.013 -15.386 -6.315 1.00 44.21 H new ATOM 0 HB2 LEU A 84 -7.377 -13.644 -4.541 1.00 74.22 H new ATOM 0 HB3 LEU A 84 -6.511 -12.460 -5.500 1.00 74.22 H new ATOM 0 HG LEU A 84 -8.212 -12.411 -7.194 1.00 54.52 H new ATOM 0 HD11 LEU A 84 -10.103 -14.010 -7.227 1.00 61.24 H new ATOM 0 HD12 LEU A 84 -8.544 -14.858 -7.361 1.00 61.24 H new ATOM 0 HD13 LEU A 84 -9.421 -14.847 -5.813 1.00 61.24 H new ATOM 0 HD21 LEU A 84 -10.271 -11.907 -5.894 1.00 21.42 H new ATOM 0 HD22 LEU A 84 -9.580 -12.739 -4.481 1.00 21.42 H new ATOM 0 HD23 LEU A 84 -8.829 -11.244 -5.088 1.00 21.42 H new ATOM 1380 N GLN A 85 -6.789 -14.793 -8.669 1.00 42.24 N ATOM 1381 CA GLN A 85 -6.601 -14.470 -10.107 1.00 54.21 C ATOM 1382 C GLN A 85 -7.829 -13.718 -10.635 1.00 24.25 C ATOM 1383 O GLN A 85 -8.950 -14.179 -10.523 1.00 4.11 O ATOM 1384 CB GLN A 85 -6.432 -15.827 -10.803 1.00 31.11 C ATOM 1385 CG GLN A 85 -7.801 -16.476 -11.027 1.00 44.42 C ATOM 1386 CD GLN A 85 -8.393 -16.015 -12.367 1.00 53.41 C ATOM 1387 OE1 GLN A 85 -7.847 -15.021 -13.016 1.00 54.14 O flip ATOM 1388 NE2 GLN A 85 -9.368 -16.573 -12.828 1.00 33.43 N flip ATOM 0 H GLN A 85 -7.405 -15.583 -8.479 1.00 42.24 H new ATOM 0 HA GLN A 85 -5.740 -13.826 -10.286 1.00 54.21 H new ATOM 0 HB2 GLN A 85 -5.923 -15.694 -11.758 1.00 31.11 H new ATOM 0 HB3 GLN A 85 -5.806 -16.481 -10.196 1.00 31.11 H new ATOM 0 HG2 GLN A 85 -7.703 -17.562 -11.019 1.00 44.42 H new ATOM 0 HG3 GLN A 85 -8.475 -16.211 -10.213 1.00 44.42 H new ATOM 0 HE21 GLN A 85 -9.797 -17.349 -12.324 1.00 33.43 H new ATOM 0 HE22 GLN A 85 -9.758 -16.265 -13.719 1.00 33.43 H new ATOM 1397 N LEU A 86 -7.623 -12.559 -11.204 1.00 13.52 N ATOM 1398 CA LEU A 86 -8.770 -11.767 -11.735 1.00 41.40 C ATOM 1399 C LEU A 86 -8.494 -11.335 -13.181 1.00 4.23 C ATOM 1400 O LEU A 86 -7.478 -10.730 -13.461 1.00 74.04 O ATOM 1401 CB LEU A 86 -8.855 -10.543 -10.821 1.00 40.15 C ATOM 1402 CG LEU A 86 -10.250 -10.458 -10.202 1.00 44.42 C ATOM 1403 CD1 LEU A 86 -11.292 -10.287 -11.310 1.00 13.15 C ATOM 1404 CD2 LEU A 86 -10.539 -11.744 -9.423 1.00 42.21 C ATOM 0 H LEU A 86 -6.707 -12.126 -11.324 1.00 13.52 H new ATOM 0 HA LEU A 86 -9.698 -12.339 -11.746 1.00 41.40 H new ATOM 0 HB2 LEU A 86 -8.102 -10.610 -10.036 1.00 40.15 H new ATOM 0 HB3 LEU A 86 -8.643 -9.637 -11.389 1.00 40.15 H new ATOM 0 HG LEU A 86 -10.297 -9.604 -9.526 1.00 44.42 H new ATOM 0 HD11 LEU A 86 -12.287 -10.226 -10.868 1.00 13.15 H new ATOM 0 HD12 LEU A 86 -11.086 -9.372 -11.866 1.00 13.15 H new ATOM 0 HD13 LEU A 86 -11.247 -11.140 -11.987 1.00 13.15 H new ATOM 0 HD21 LEU A 86 -11.533 -11.686 -8.981 1.00 42.21 H new ATOM 0 HD22 LEU A 86 -10.492 -12.597 -10.099 1.00 42.21 H new ATOM 0 HD23 LEU A 86 -9.797 -11.866 -8.634 1.00 42.21 H new