USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=19 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 38 SER OG : rot -87:sc= 0 USER MOD Set 1.2: A 82 TYR OH : rot 180:sc=0.000105 USER MOD Single : A 16 CYS SG : rot -10:sc= -0.864! USER MOD Single : A 19 TYR OH : rot 180:sc= -1.42 USER MOD Single : A 21 SER OG : rot -53:sc= 0.637 USER MOD Single : A 22 SER OG : rot 91:sc= 0.04 USER MOD Single : A 23 LYS NZ :NH3+ -155:sc= -0.505 (180deg=-2.46!) USER MOD Single : A 26 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.12) USER MOD Single : A 27 THR OG1 : rot 180:sc= -1.88! USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 139:sc= -0.115 (180deg=-1.55!) USER MOD Single : A 45 MET CE :methyl 172:sc= -3.31! (180deg=-3.39!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.402 F(o=-1.8,f=-0.4) USER MOD Single : A 52 GLN : amide:sc= 0.176 K(o=0.18,f=-1.6) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 72 LYS NZ :NH3+ 138:sc= -0.371 (180deg=-2.57!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN :FLIP amide:sc= -7.77! C(o=-11!,f=-7.8!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN :FLIP amide:sc= -0.189 F(o=-1.4,f=-0.19) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN :FLIP amide:sc= -6.89! C(o=-8.3!,f=-6.9!) USER MOD ----------------------------------------------------------------- ATOM 214 N PHE A 15 0.912 -28.385 -3.765 1.00 14.32 N ATOM 215 CA PHE A 15 -0.530 -28.520 -4.128 1.00 42.22 C ATOM 216 C PHE A 15 -1.251 -27.191 -3.863 1.00 11.13 C ATOM 217 O PHE A 15 -0.933 -26.477 -2.932 1.00 73.24 O ATOM 218 CB PHE A 15 -1.063 -29.629 -3.212 1.00 40.51 C ATOM 219 CG PHE A 15 -2.557 -29.479 -3.027 1.00 20.21 C ATOM 220 CD1 PHE A 15 -3.050 -28.547 -2.106 1.00 3.32 C ATOM 221 CD2 PHE A 15 -3.442 -30.263 -3.773 1.00 40.24 C ATOM 222 CE1 PHE A 15 -4.431 -28.402 -1.930 1.00 4.42 C ATOM 223 CE2 PHE A 15 -4.824 -30.115 -3.598 1.00 44.41 C ATOM 224 CZ PHE A 15 -5.318 -29.184 -2.676 1.00 10.24 C ATOM 0 HA PHE A 15 -0.684 -28.762 -5.180 1.00 42.22 H new ATOM 0 HB2 PHE A 15 -0.838 -30.605 -3.642 1.00 40.51 H new ATOM 0 HB3 PHE A 15 -0.563 -29.584 -2.245 1.00 40.51 H new ATOM 0 HD1 PHE A 15 -2.365 -27.940 -1.532 1.00 3.32 H new ATOM 0 HD2 PHE A 15 -3.061 -30.982 -4.483 1.00 40.24 H new ATOM 0 HE1 PHE A 15 -4.812 -27.685 -1.217 1.00 4.42 H new ATOM 0 HE2 PHE A 15 -5.509 -30.719 -4.174 1.00 44.41 H new ATOM 0 HZ PHE A 15 -6.383 -29.070 -2.541 1.00 10.24 H new ATOM 234 N CYS A 16 -2.215 -26.849 -4.676 1.00 65.10 N ATOM 235 CA CYS A 16 -2.942 -25.562 -4.465 1.00 14.15 C ATOM 236 C CYS A 16 -4.435 -25.739 -4.764 1.00 22.41 C ATOM 237 O CYS A 16 -4.831 -26.608 -5.515 1.00 14.43 O ATOM 238 CB CYS A 16 -2.308 -24.586 -5.455 1.00 32.34 C ATOM 239 SG CYS A 16 -0.522 -24.521 -5.173 1.00 32.33 S ATOM 0 H CYS A 16 -2.530 -27.402 -5.473 1.00 65.10 H new ATOM 0 HA CYS A 16 -2.867 -25.208 -3.437 1.00 14.15 H new ATOM 0 HB2 CYS A 16 -2.515 -24.902 -6.477 1.00 32.34 H new ATOM 0 HB3 CYS A 16 -2.743 -23.594 -5.334 1.00 32.34 H new ATOM 0 HG CYS A 16 -0.234 -25.145 -4.070 1.00 32.33 H new ATOM 245 N VAL A 17 -5.267 -24.919 -4.180 1.00 31.34 N ATOM 246 CA VAL A 17 -6.733 -25.039 -4.431 1.00 3.34 C ATOM 247 C VAL A 17 -7.242 -23.811 -5.191 1.00 64.30 C ATOM 248 O VAL A 17 -6.971 -22.685 -4.821 1.00 2.23 O ATOM 249 CB VAL A 17 -7.380 -25.109 -3.045 1.00 11.24 C ATOM 250 CG1 VAL A 17 -8.772 -25.735 -3.160 1.00 42.14 C ATOM 251 CG2 VAL A 17 -6.519 -25.969 -2.110 1.00 60.42 C ATOM 0 H VAL A 17 -4.996 -24.172 -3.541 1.00 31.34 H new ATOM 0 HA VAL A 17 -6.971 -25.915 -5.035 1.00 3.34 H new ATOM 0 HB VAL A 17 -7.461 -24.100 -2.640 1.00 11.24 H new ATOM 0 HG11 VAL A 17 -9.231 -25.784 -2.173 1.00 42.14 H new ATOM 0 HG12 VAL A 17 -9.391 -25.126 -3.819 1.00 42.14 H new ATOM 0 HG13 VAL A 17 -8.686 -26.741 -3.571 1.00 42.14 H new ATOM 0 HG21 VAL A 17 -6.985 -26.015 -1.126 1.00 60.42 H new ATOM 0 HG22 VAL A 17 -6.433 -26.976 -2.518 1.00 60.42 H new ATOM 0 HG23 VAL A 17 -5.526 -25.528 -2.021 1.00 60.42 H new ATOM 261 N ILE A 18 -7.977 -24.019 -6.248 1.00 72.14 N ATOM 262 CA ILE A 18 -8.503 -22.861 -7.029 1.00 41.01 C ATOM 263 C ILE A 18 -9.979 -22.619 -6.695 1.00 10.23 C ATOM 264 O ILE A 18 -10.845 -23.374 -7.091 1.00 23.02 O ATOM 265 CB ILE A 18 -8.348 -23.268 -8.496 1.00 52.32 C ATOM 266 CG1 ILE A 18 -6.867 -23.227 -8.884 1.00 73.20 C ATOM 267 CG2 ILE A 18 -9.134 -22.299 -9.382 1.00 22.30 C ATOM 268 CD1 ILE A 18 -6.316 -24.652 -8.950 1.00 43.40 C ATOM 0 H ILE A 18 -8.237 -24.938 -6.605 1.00 72.14 H new ATOM 0 HA ILE A 18 -7.971 -21.937 -6.802 1.00 41.01 H new ATOM 0 HB ILE A 18 -8.732 -24.279 -8.634 1.00 52.32 H new ATOM 0 HG12 ILE A 18 -6.747 -22.734 -9.849 1.00 73.20 H new ATOM 0 HG13 ILE A 18 -6.306 -22.642 -8.155 1.00 73.20 H new ATOM 0 HG21 ILE A 18 -9.023 -22.590 -10.427 1.00 22.30 H new ATOM 0 HG22 ILE A 18 -10.188 -22.328 -9.107 1.00 22.30 H new ATOM 0 HG23 ILE A 18 -8.751 -21.288 -9.244 1.00 22.30 H new ATOM 0 HD11 ILE A 18 -5.262 -24.622 -9.226 1.00 43.40 H new ATOM 0 HD12 ILE A 18 -6.422 -25.129 -7.976 1.00 43.40 H new ATOM 0 HD13 ILE A 18 -6.870 -25.222 -9.695 1.00 43.40 H new ATOM 280 N TYR A 19 -10.270 -21.572 -5.973 1.00 1.42 N ATOM 281 CA TYR A 19 -11.690 -21.283 -5.617 1.00 21.21 C ATOM 282 C TYR A 19 -12.328 -20.380 -6.675 1.00 32.42 C ATOM 283 O TYR A 19 -11.652 -19.641 -7.363 1.00 2.10 O ATOM 284 CB TYR A 19 -11.625 -20.549 -4.277 1.00 13.13 C ATOM 285 CG TYR A 19 -11.420 -21.541 -3.158 1.00 53.03 C ATOM 286 CD1 TYR A 19 -10.126 -21.948 -2.814 1.00 14.53 C ATOM 287 CD2 TYR A 19 -12.522 -22.047 -2.459 1.00 13.30 C ATOM 288 CE1 TYR A 19 -9.932 -22.863 -1.773 1.00 52.03 C ATOM 289 CE2 TYR A 19 -12.329 -22.963 -1.418 1.00 62.20 C ATOM 290 CZ TYR A 19 -11.035 -23.371 -1.075 1.00 22.00 C ATOM 291 OH TYR A 19 -10.845 -24.274 -0.048 1.00 1.52 O ATOM 0 H TYR A 19 -9.588 -20.904 -5.614 1.00 1.42 H new ATOM 0 HA TYR A 19 -12.289 -22.192 -5.561 1.00 21.21 H new ATOM 0 HB2 TYR A 19 -10.810 -19.826 -4.288 1.00 13.13 H new ATOM 0 HB3 TYR A 19 -12.546 -19.989 -4.114 1.00 13.13 H new ATOM 0 HD1 TYR A 19 -9.276 -21.556 -3.353 1.00 14.53 H new ATOM 0 HD2 TYR A 19 -13.521 -21.731 -2.723 1.00 13.30 H new ATOM 0 HE1 TYR A 19 -8.933 -23.177 -1.508 1.00 52.03 H new ATOM 0 HE2 TYR A 19 -13.179 -23.355 -0.879 1.00 62.20 H new ATOM 0 HH TYR A 19 -11.713 -24.525 0.331 1.00 1.52 H new ATOM 301 N ARG A 20 -13.626 -20.422 -6.804 1.00 50.43 N ATOM 302 CA ARG A 20 -14.301 -19.552 -7.806 1.00 62.52 C ATOM 303 C ARG A 20 -15.336 -18.661 -7.108 1.00 72.24 C ATOM 304 O ARG A 20 -16.044 -19.091 -6.220 1.00 15.32 O ATOM 305 CB ARG A 20 -14.976 -20.510 -8.792 1.00 53.13 C ATOM 306 CG ARG A 20 -16.015 -21.367 -8.065 1.00 60.43 C ATOM 307 CD ARG A 20 -17.033 -21.895 -9.079 1.00 63.54 C ATOM 308 NE ARG A 20 -17.886 -22.841 -8.309 1.00 42.40 N ATOM 309 CZ ARG A 20 -18.990 -23.301 -8.833 1.00 21.42 C ATOM 310 NH1 ARG A 20 -19.976 -22.488 -9.101 1.00 33.23 N ATOM 311 NH2 ARG A 20 -19.106 -24.576 -9.093 1.00 55.31 N ATOM 0 H ARG A 20 -14.247 -21.021 -6.259 1.00 50.43 H new ATOM 0 HA ARG A 20 -13.603 -18.889 -8.317 1.00 62.52 H new ATOM 0 HB2 ARG A 20 -15.455 -19.944 -9.591 1.00 53.13 H new ATOM 0 HB3 ARG A 20 -14.228 -21.150 -9.259 1.00 53.13 H new ATOM 0 HG2 ARG A 20 -15.526 -22.198 -7.556 1.00 60.43 H new ATOM 0 HG3 ARG A 20 -16.519 -20.777 -7.300 1.00 60.43 H new ATOM 0 HD2 ARG A 20 -17.626 -21.084 -9.503 1.00 63.54 H new ATOM 0 HD3 ARG A 20 -16.538 -22.397 -9.911 1.00 63.54 H new ATOM 0 HE ARG A 20 -17.608 -23.130 -7.371 1.00 42.40 H new ATOM 0 HH11 ARG A 20 -19.884 -21.492 -8.901 1.00 33.23 H new ATOM 0 HH12 ARG A 20 -20.838 -22.849 -9.510 1.00 33.23 H new ATOM 0 HH21 ARG A 20 -18.335 -25.211 -8.887 1.00 55.31 H new ATOM 0 HH22 ARG A 20 -19.968 -24.937 -9.502 1.00 55.31 H new ATOM 325 N SER A 21 -15.418 -17.420 -7.497 1.00 31.10 N ATOM 326 CA SER A 21 -16.398 -16.501 -6.851 1.00 41.21 C ATOM 327 C SER A 21 -17.820 -16.841 -7.303 1.00 43.11 C ATOM 328 O SER A 21 -18.076 -17.035 -8.475 1.00 4.51 O ATOM 329 CB SER A 21 -16.004 -15.105 -7.325 1.00 44.53 C ATOM 330 OG SER A 21 -14.646 -14.858 -6.977 1.00 3.12 O ATOM 0 H SER A 21 -14.850 -17.002 -8.234 1.00 31.10 H new ATOM 0 HA SER A 21 -16.384 -16.581 -5.764 1.00 41.21 H new ATOM 0 HB2 SER A 21 -16.136 -15.024 -8.404 1.00 44.53 H new ATOM 0 HB3 SER A 21 -16.651 -14.357 -6.867 1.00 44.53 H new ATOM 0 HG SER A 21 -14.519 -15.019 -6.019 1.00 3.12 H new ATOM 336 N SER A 22 -18.745 -16.911 -6.386 1.00 64.23 N ATOM 337 CA SER A 22 -20.150 -17.238 -6.768 1.00 33.04 C ATOM 338 C SER A 22 -20.641 -16.262 -7.842 1.00 52.03 C ATOM 339 O SER A 22 -21.318 -16.644 -8.777 1.00 74.30 O ATOM 340 CB SER A 22 -20.959 -17.073 -5.482 1.00 4.11 C ATOM 341 OG SER A 22 -20.643 -18.134 -4.590 1.00 53.40 O ATOM 0 H SER A 22 -18.590 -16.756 -5.390 1.00 64.23 H new ATOM 0 HA SER A 22 -20.245 -18.242 -7.181 1.00 33.04 H new ATOM 0 HB2 SER A 22 -20.734 -16.113 -5.018 1.00 4.11 H new ATOM 0 HB3 SER A 22 -22.026 -17.076 -5.707 1.00 4.11 H new ATOM 0 HG SER A 22 -19.895 -17.867 -4.015 1.00 53.40 H new ATOM 347 N LYS A 23 -20.300 -15.010 -7.718 1.00 4.43 N ATOM 348 CA LYS A 23 -20.745 -14.013 -8.735 1.00 2.40 C ATOM 349 C LYS A 23 -19.725 -12.879 -8.840 1.00 23.21 C ATOM 350 O LYS A 23 -19.757 -11.930 -8.081 1.00 51.31 O ATOM 351 CB LYS A 23 -22.082 -13.487 -8.217 1.00 43.21 C ATOM 352 CG LYS A 23 -21.892 -12.900 -6.819 1.00 62.42 C ATOM 353 CD LYS A 23 -22.691 -13.722 -5.806 1.00 4.40 C ATOM 354 CE LYS A 23 -22.365 -13.243 -4.390 1.00 15.44 C ATOM 355 NZ LYS A 23 -20.879 -13.166 -4.346 1.00 73.13 N ATOM 0 H LYS A 23 -19.733 -14.633 -6.958 1.00 4.43 H new ATOM 0 HA LYS A 23 -20.839 -14.450 -9.729 1.00 2.40 H new ATOM 0 HB2 LYS A 23 -22.472 -12.726 -8.893 1.00 43.21 H new ATOM 0 HB3 LYS A 23 -22.815 -14.293 -8.188 1.00 43.21 H new ATOM 0 HG2 LYS A 23 -20.835 -12.903 -6.553 1.00 62.42 H new ATOM 0 HG3 LYS A 23 -22.222 -11.861 -6.801 1.00 62.42 H new ATOM 0 HD2 LYS A 23 -23.759 -13.619 -5.999 1.00 4.40 H new ATOM 0 HD3 LYS A 23 -22.449 -14.780 -5.908 1.00 4.40 H new ATOM 0 HE2 LYS A 23 -22.817 -12.272 -4.187 1.00 15.44 H new ATOM 0 HE3 LYS A 23 -22.747 -13.936 -3.640 1.00 15.44 H new ATOM 0 HZ1 LYS A 23 -20.555 -13.266 -3.363 1.00 73.13 H new ATOM 0 HZ2 LYS A 23 -20.475 -13.931 -4.923 1.00 73.13 H new ATOM 0 HZ3 LYS A 23 -20.568 -12.247 -4.721 1.00 73.13 H new ATOM 369 N ARG A 24 -18.821 -12.967 -9.776 1.00 72.42 N ATOM 370 CA ARG A 24 -17.799 -11.893 -9.928 1.00 40.22 C ATOM 371 C ARG A 24 -17.236 -11.896 -11.351 1.00 71.32 C ATOM 372 O ARG A 24 -17.672 -12.646 -12.200 1.00 24.42 O ATOM 373 CB ARG A 24 -16.703 -12.243 -8.920 1.00 64.32 C ATOM 374 CG ARG A 24 -16.919 -11.445 -7.632 1.00 11.21 C ATOM 375 CD ARG A 24 -16.911 -9.948 -7.948 1.00 64.21 C ATOM 376 NE ARG A 24 -18.265 -9.466 -7.555 1.00 33.52 N ATOM 377 CZ ARG A 24 -18.884 -8.584 -8.292 1.00 14.42 C ATOM 378 NH1 ARG A 24 -18.219 -7.589 -8.813 1.00 5.21 N ATOM 379 NH2 ARG A 24 -20.165 -8.698 -8.509 1.00 34.21 N ATOM 0 H ARG A 24 -18.746 -13.736 -10.442 1.00 72.42 H new ATOM 0 HA ARG A 24 -18.215 -10.901 -9.752 1.00 40.22 H new ATOM 0 HB2 ARG A 24 -16.720 -13.312 -8.705 1.00 64.32 H new ATOM 0 HB3 ARG A 24 -15.723 -12.017 -9.340 1.00 64.32 H new ATOM 0 HG2 ARG A 24 -17.867 -11.725 -7.174 1.00 11.21 H new ATOM 0 HG3 ARG A 24 -16.135 -11.679 -6.912 1.00 11.21 H new ATOM 0 HD2 ARG A 24 -16.130 -9.431 -7.390 1.00 64.21 H new ATOM 0 HD3 ARG A 24 -16.719 -9.769 -9.006 1.00 64.21 H new ATOM 0 HE ARG A 24 -18.708 -9.825 -6.710 1.00 33.52 H new ATOM 0 HH11 ARG A 24 -17.217 -7.501 -8.644 1.00 5.21 H new ATOM 0 HH12 ARG A 24 -18.701 -6.899 -9.389 1.00 5.21 H new ATOM 0 HH21 ARG A 24 -20.684 -9.477 -8.103 1.00 34.21 H new ATOM 0 HH22 ARG A 24 -20.648 -8.009 -9.085 1.00 34.21 H new ATOM 393 N ASP A 25 -16.271 -11.061 -11.617 1.00 70.14 N ATOM 394 CA ASP A 25 -15.678 -11.014 -12.983 1.00 22.22 C ATOM 395 C ASP A 25 -14.654 -12.138 -13.155 1.00 31.45 C ATOM 396 O ASP A 25 -13.467 -11.898 -13.256 1.00 62.14 O ATOM 397 CB ASP A 25 -14.998 -9.650 -13.067 1.00 25.21 C ATOM 398 CG ASP A 25 -15.576 -8.860 -14.244 1.00 50.20 C ATOM 399 OD1 ASP A 25 -15.137 -9.091 -15.359 1.00 25.31 O ATOM 400 OD2 ASP A 25 -16.449 -8.040 -14.010 1.00 1.31 O ATOM 0 H ASP A 25 -15.866 -10.408 -10.946 1.00 70.14 H new ATOM 0 HA ASP A 25 -16.426 -11.147 -13.765 1.00 22.22 H new ATOM 0 HB2 ASP A 25 -15.148 -9.100 -12.138 1.00 25.21 H new ATOM 0 HB3 ASP A 25 -13.923 -9.776 -13.193 1.00 25.21 H new ATOM 405 N GLN A 26 -15.103 -13.362 -13.188 1.00 3.04 N ATOM 406 CA GLN A 26 -14.153 -14.500 -13.355 1.00 43.41 C ATOM 407 C GLN A 26 -13.029 -14.398 -12.321 1.00 51.42 C ATOM 408 O GLN A 26 -11.863 -14.377 -12.658 1.00 14.31 O ATOM 409 CB GLN A 26 -13.601 -14.348 -14.772 1.00 60.15 C ATOM 410 CG GLN A 26 -14.701 -14.668 -15.786 1.00 63.20 C ATOM 411 CD GLN A 26 -15.297 -13.365 -16.325 1.00 62.22 C ATOM 412 OE1 GLN A 26 -16.397 -12.992 -15.964 1.00 21.11 O ATOM 413 NE2 GLN A 26 -14.613 -12.654 -17.178 1.00 54.32 N ATOM 0 H GLN A 26 -16.085 -13.624 -13.107 1.00 3.04 H new ATOM 0 HA GLN A 26 -14.631 -15.469 -13.209 1.00 43.41 H new ATOM 0 HB2 GLN A 26 -13.236 -13.332 -14.924 1.00 60.15 H new ATOM 0 HB3 GLN A 26 -12.753 -15.017 -14.917 1.00 60.15 H new ATOM 0 HG2 GLN A 26 -14.293 -15.260 -16.606 1.00 63.20 H new ATOM 0 HG3 GLN A 26 -15.480 -15.269 -15.316 1.00 63.20 H new ATOM 0 HE21 GLN A 26 -13.691 -12.968 -17.480 1.00 54.32 H new ATOM 0 HE22 GLN A 26 -15.000 -11.784 -17.543 1.00 54.32 H new ATOM 422 N THR A 27 -13.372 -14.328 -11.062 1.00 53.42 N ATOM 423 CA THR A 27 -12.322 -14.221 -10.006 1.00 22.34 C ATOM 424 C THR A 27 -12.066 -15.586 -9.363 1.00 50.33 C ATOM 425 O THR A 27 -12.985 -16.287 -8.988 1.00 42.24 O ATOM 426 CB THR A 27 -12.896 -13.246 -8.978 1.00 71.33 C ATOM 427 OG1 THR A 27 -13.070 -11.972 -9.580 1.00 73.04 O ATOM 428 CG2 THR A 27 -11.937 -13.128 -7.793 1.00 64.13 C ATOM 0 H THR A 27 -14.333 -14.340 -10.719 1.00 53.42 H new ATOM 0 HA THR A 27 -11.368 -13.880 -10.409 1.00 22.34 H new ATOM 0 HB THR A 27 -13.860 -13.615 -8.626 1.00 71.33 H new ATOM 0 HG1 THR A 27 -13.440 -11.347 -8.922 1.00 73.04 H new ATOM 0 HG21 THR A 27 -12.347 -12.433 -7.061 1.00 64.13 H new ATOM 0 HG22 THR A 27 -11.807 -14.107 -7.331 1.00 64.13 H new ATOM 0 HG23 THR A 27 -10.972 -12.760 -8.141 1.00 64.13 H new ATOM 436 N TYR A 28 -10.825 -15.967 -9.227 1.00 4.52 N ATOM 437 CA TYR A 28 -10.515 -17.285 -8.602 1.00 0.25 C ATOM 438 C TYR A 28 -9.435 -17.115 -7.530 1.00 0.35 C ATOM 439 O TYR A 28 -8.445 -16.441 -7.734 1.00 73.34 O ATOM 440 CB TYR A 28 -9.997 -18.161 -9.742 1.00 11.41 C ATOM 441 CG TYR A 28 -11.157 -18.672 -10.560 1.00 40.43 C ATOM 442 CD1 TYR A 28 -11.766 -17.843 -11.508 1.00 72.32 C ATOM 443 CD2 TYR A 28 -11.625 -19.980 -10.370 1.00 25.15 C ATOM 444 CE1 TYR A 28 -12.843 -18.317 -12.265 1.00 21.53 C ATOM 445 CE2 TYR A 28 -12.700 -20.455 -11.130 1.00 44.02 C ATOM 446 CZ TYR A 28 -13.309 -19.624 -12.078 1.00 14.12 C ATOM 447 OH TYR A 28 -14.369 -20.094 -12.827 1.00 23.34 O ATOM 0 H TYR A 28 -10.013 -15.424 -9.521 1.00 4.52 H new ATOM 0 HA TYR A 28 -11.387 -17.724 -8.117 1.00 0.25 H new ATOM 0 HB2 TYR A 28 -9.319 -17.588 -10.374 1.00 11.41 H new ATOM 0 HB3 TYR A 28 -9.427 -18.998 -9.340 1.00 11.41 H new ATOM 0 HD1 TYR A 28 -11.404 -16.836 -11.656 1.00 72.32 H new ATOM 0 HD2 TYR A 28 -11.156 -20.621 -9.638 1.00 25.15 H new ATOM 0 HE1 TYR A 28 -13.315 -17.675 -12.994 1.00 21.53 H new ATOM 0 HE2 TYR A 28 -13.060 -21.463 -10.985 1.00 44.02 H new ATOM 0 HH TYR A 28 -14.564 -21.020 -12.573 1.00 23.34 H new ATOM 457 N LEU A 29 -9.615 -17.726 -6.389 1.00 75.33 N ATOM 458 CA LEU A 29 -8.594 -17.599 -5.310 1.00 32.52 C ATOM 459 C LEU A 29 -7.690 -18.833 -5.298 1.00 43.54 C ATOM 460 O LEU A 29 -8.098 -19.917 -5.665 1.00 12.23 O ATOM 461 CB LEU A 29 -9.397 -17.510 -4.012 1.00 51.22 C ATOM 462 CG LEU A 29 -9.304 -16.093 -3.448 1.00 13.52 C ATOM 463 CD1 LEU A 29 -10.065 -16.017 -2.126 1.00 1.12 C ATOM 464 CD2 LEU A 29 -7.833 -15.734 -3.208 1.00 34.14 C ATOM 0 H LEU A 29 -10.422 -18.305 -6.159 1.00 75.33 H new ATOM 0 HA LEU A 29 -7.949 -16.731 -5.449 1.00 32.52 H new ATOM 0 HB2 LEU A 29 -10.439 -17.770 -4.199 1.00 51.22 H new ATOM 0 HB3 LEU A 29 -9.014 -18.227 -3.286 1.00 51.22 H new ATOM 0 HG LEU A 29 -9.740 -15.392 -4.160 1.00 13.52 H new ATOM 0 HD11 LEU A 29 -9.998 -15.006 -1.725 1.00 1.12 H new ATOM 0 HD12 LEU A 29 -11.111 -16.272 -2.293 1.00 1.12 H new ATOM 0 HD13 LEU A 29 -9.630 -16.719 -1.415 1.00 1.12 H new ATOM 0 HD21 LEU A 29 -7.766 -14.723 -2.806 1.00 34.14 H new ATOM 0 HD22 LEU A 29 -7.398 -16.437 -2.497 1.00 34.14 H new ATOM 0 HD23 LEU A 29 -7.287 -15.786 -4.150 1.00 34.14 H new ATOM 476 N TYR A 30 -6.462 -18.678 -4.886 1.00 43.04 N ATOM 477 CA TYR A 30 -5.533 -19.842 -4.858 1.00 1.24 C ATOM 478 C TYR A 30 -4.891 -19.977 -3.476 1.00 73.51 C ATOM 479 O TYR A 30 -4.551 -18.998 -2.841 1.00 31.21 O ATOM 480 CB TYR A 30 -4.475 -19.526 -5.911 1.00 52.22 C ATOM 481 CG TYR A 30 -5.063 -19.706 -7.289 1.00 5.14 C ATOM 482 CD1 TYR A 30 -5.998 -18.787 -7.776 1.00 34.23 C ATOM 483 CD2 TYR A 30 -4.671 -20.791 -8.082 1.00 51.22 C ATOM 484 CE1 TYR A 30 -6.541 -18.952 -9.055 1.00 21.22 C ATOM 485 CE2 TYR A 30 -5.215 -20.957 -9.361 1.00 14.12 C ATOM 486 CZ TYR A 30 -6.150 -20.038 -9.848 1.00 32.31 C ATOM 487 OH TYR A 30 -6.684 -20.201 -11.109 1.00 25.02 O ATOM 0 H TYR A 30 -6.062 -17.795 -4.568 1.00 43.04 H new ATOM 0 HA TYR A 30 -6.044 -20.783 -5.061 1.00 1.24 H new ATOM 0 HB2 TYR A 30 -4.118 -18.503 -5.787 1.00 52.22 H new ATOM 0 HB3 TYR A 30 -3.613 -20.182 -5.784 1.00 52.22 H new ATOM 0 HD1 TYR A 30 -6.301 -17.950 -7.165 1.00 34.23 H new ATOM 0 HD2 TYR A 30 -3.948 -21.500 -7.707 1.00 51.22 H new ATOM 0 HE1 TYR A 30 -7.262 -18.241 -9.431 1.00 21.22 H new ATOM 0 HE2 TYR A 30 -4.913 -21.795 -9.972 1.00 14.12 H new ATOM 0 HH TYR A 30 -6.304 -21.004 -11.524 1.00 25.02 H new ATOM 497 N VAL A 31 -4.719 -21.182 -3.009 1.00 63.14 N ATOM 498 CA VAL A 31 -4.094 -21.384 -1.668 1.00 61.25 C ATOM 499 C VAL A 31 -3.368 -22.726 -1.621 1.00 40.34 C ATOM 500 O VAL A 31 -3.745 -23.672 -2.283 1.00 2.14 O ATOM 501 CB VAL A 31 -5.241 -21.370 -0.648 1.00 35.31 C ATOM 502 CG1 VAL A 31 -5.430 -19.951 -0.116 1.00 4.33 C ATOM 503 CG2 VAL A 31 -6.548 -21.845 -1.300 1.00 13.11 C ATOM 0 H VAL A 31 -4.984 -22.038 -3.497 1.00 63.14 H new ATOM 0 HA VAL A 31 -3.362 -20.605 -1.453 1.00 61.25 H new ATOM 0 HB VAL A 31 -4.990 -22.045 0.170 1.00 35.31 H new ATOM 0 HG11 VAL A 31 -6.244 -19.939 0.608 1.00 4.33 H new ATOM 0 HG12 VAL A 31 -4.511 -19.618 0.366 1.00 4.33 H new ATOM 0 HG13 VAL A 31 -5.670 -19.282 -0.942 1.00 4.33 H new ATOM 0 HG21 VAL A 31 -7.350 -21.828 -0.562 1.00 13.11 H new ATOM 0 HG22 VAL A 31 -6.803 -21.183 -2.128 1.00 13.11 H new ATOM 0 HG23 VAL A 31 -6.420 -22.861 -1.674 1.00 13.11 H new ATOM 513 N GLU A 32 -2.335 -22.820 -0.831 1.00 32.15 N ATOM 514 CA GLU A 32 -1.590 -24.106 -0.733 1.00 63.14 C ATOM 515 C GLU A 32 -2.500 -25.178 -0.129 1.00 53.40 C ATOM 516 O GLU A 32 -2.213 -26.357 -0.185 1.00 31.00 O ATOM 517 CB GLU A 32 -0.406 -23.812 0.191 1.00 3.02 C ATOM 518 CG GLU A 32 -0.912 -23.514 1.605 1.00 42.53 C ATOM 519 CD GLU A 32 0.207 -23.787 2.613 1.00 4.33 C ATOM 520 OE1 GLU A 32 1.087 -24.567 2.292 1.00 13.10 O ATOM 521 OE2 GLU A 32 0.162 -23.210 3.687 1.00 61.24 O ATOM 0 H GLU A 32 -1.975 -22.063 -0.250 1.00 32.15 H new ATOM 0 HA GLU A 32 -1.256 -24.475 -1.703 1.00 63.14 H new ATOM 0 HB2 GLU A 32 0.273 -24.665 0.210 1.00 3.02 H new ATOM 0 HB3 GLU A 32 0.161 -22.962 -0.189 1.00 3.02 H new ATOM 0 HG2 GLU A 32 -1.235 -22.475 1.676 1.00 42.53 H new ATOM 0 HG3 GLU A 32 -1.779 -24.134 1.831 1.00 42.53 H new ATOM 528 N LYS A 33 -3.599 -24.769 0.440 1.00 5.15 N ATOM 529 CA LYS A 33 -4.543 -25.751 1.046 1.00 72.42 C ATOM 530 C LYS A 33 -5.917 -25.100 1.225 1.00 24.32 C ATOM 531 O LYS A 33 -6.048 -23.892 1.206 1.00 75.03 O ATOM 532 CB LYS A 33 -3.933 -26.107 2.402 1.00 32.51 C ATOM 533 CG LYS A 33 -4.076 -24.920 3.357 1.00 52.52 C ATOM 534 CD LYS A 33 -2.780 -24.744 4.153 1.00 61.12 C ATOM 535 CE LYS A 33 -3.076 -24.878 5.651 1.00 30.04 C ATOM 536 NZ LYS A 33 -1.845 -24.387 6.334 1.00 40.11 N ATOM 0 H LYS A 33 -3.886 -23.793 0.512 1.00 5.15 H new ATOM 0 HA LYS A 33 -4.683 -26.636 0.425 1.00 72.42 H new ATOM 0 HB2 LYS A 33 -4.431 -26.983 2.817 1.00 32.51 H new ATOM 0 HB3 LYS A 33 -2.881 -26.366 2.282 1.00 32.51 H new ATOM 0 HG2 LYS A 33 -4.296 -24.012 2.795 1.00 52.52 H new ATOM 0 HG3 LYS A 33 -4.912 -25.085 4.036 1.00 52.52 H new ATOM 0 HD2 LYS A 33 -2.049 -25.493 3.848 1.00 61.12 H new ATOM 0 HD3 LYS A 33 -2.342 -23.768 3.944 1.00 61.12 H new ATOM 0 HE2 LYS A 33 -3.947 -24.288 5.935 1.00 30.04 H new ATOM 0 HE3 LYS A 33 -3.290 -25.912 5.920 1.00 30.04 H new ATOM 0 HZ1 LYS A 33 -1.972 -24.448 7.364 1.00 40.11 H new ATOM 0 HZ2 LYS A 33 -1.033 -24.972 6.050 1.00 40.11 H new ATOM 0 HZ3 LYS A 33 -1.670 -23.398 6.065 1.00 40.11 H new ATOM 550 N LYS A 34 -6.942 -25.888 1.394 1.00 64.24 N ATOM 551 CA LYS A 34 -8.303 -25.307 1.574 1.00 4.04 C ATOM 552 C LYS A 34 -8.541 -24.960 3.046 1.00 12.34 C ATOM 553 O LYS A 34 -9.435 -25.486 3.680 1.00 72.30 O ATOM 554 CB LYS A 34 -9.264 -26.408 1.119 1.00 72.15 C ATOM 555 CG LYS A 34 -9.142 -27.611 2.056 1.00 23.05 C ATOM 556 CD LYS A 34 -10.540 -28.062 2.488 1.00 12.32 C ATOM 557 CE LYS A 34 -10.708 -29.553 2.189 1.00 30.22 C ATOM 558 NZ LYS A 34 -9.581 -30.217 2.900 1.00 14.14 N ATOM 0 H LYS A 34 -6.897 -26.907 1.415 1.00 64.24 H new ATOM 0 HA LYS A 34 -8.438 -24.386 1.007 1.00 4.04 H new ATOM 0 HB2 LYS A 34 -10.288 -26.035 1.120 1.00 72.15 H new ATOM 0 HB3 LYS A 34 -9.035 -26.706 0.096 1.00 72.15 H new ATOM 0 HG2 LYS A 34 -8.624 -28.427 1.553 1.00 23.05 H new ATOM 0 HG3 LYS A 34 -8.547 -27.346 2.930 1.00 23.05 H new ATOM 0 HD2 LYS A 34 -10.682 -27.875 3.552 1.00 12.32 H new ATOM 0 HD3 LYS A 34 -11.300 -27.486 1.959 1.00 12.32 H new ATOM 0 HE2 LYS A 34 -11.671 -29.921 2.544 1.00 30.22 H new ATOM 0 HE3 LYS A 34 -10.668 -29.748 1.117 1.00 30.22 H new ATOM 0 HZ1 LYS A 34 -9.920 -31.094 3.345 1.00 14.14 H new ATOM 0 HZ2 LYS A 34 -8.827 -30.443 2.220 1.00 14.14 H new ATOM 0 HZ3 LYS A 34 -9.208 -29.579 3.632 1.00 14.14 H new ATOM 572 N ASP A 35 -7.745 -24.086 3.598 1.00 54.12 N ATOM 573 CA ASP A 35 -7.930 -23.719 5.030 1.00 34.22 C ATOM 574 C ASP A 35 -8.686 -22.394 5.158 1.00 44.23 C ATOM 575 O ASP A 35 -9.835 -22.362 5.549 1.00 64.13 O ATOM 576 CB ASP A 35 -6.512 -23.579 5.585 1.00 2.21 C ATOM 577 CG ASP A 35 -6.581 -23.264 7.080 1.00 74.41 C ATOM 578 OD1 ASP A 35 -7.431 -23.832 7.746 1.00 52.33 O ATOM 579 OD2 ASP A 35 -5.784 -22.459 7.533 1.00 40.04 O ATOM 0 H ASP A 35 -6.978 -23.612 3.122 1.00 54.12 H new ATOM 0 HA ASP A 35 -8.515 -24.464 5.570 1.00 34.22 H new ATOM 0 HB2 ASP A 35 -5.953 -24.500 5.422 1.00 2.21 H new ATOM 0 HB3 ASP A 35 -5.980 -22.786 5.059 1.00 2.21 H new ATOM 584 N ASP A 36 -8.050 -21.301 4.837 1.00 70.13 N ATOM 585 CA ASP A 36 -8.738 -19.983 4.951 1.00 44.13 C ATOM 586 C ASP A 36 -7.949 -18.892 4.223 1.00 73.04 C ATOM 587 O ASP A 36 -6.840 -19.102 3.773 1.00 43.11 O ATOM 588 CB ASP A 36 -8.796 -19.689 6.448 1.00 13.24 C ATOM 589 CG ASP A 36 -10.105 -20.230 7.026 1.00 1.31 C ATOM 590 OD1 ASP A 36 -11.124 -20.080 6.372 1.00 5.42 O ATOM 591 OD2 ASP A 36 -10.065 -20.785 8.112 1.00 22.43 O ATOM 0 H ASP A 36 -7.087 -21.263 4.502 1.00 70.13 H new ATOM 0 HA ASP A 36 -9.729 -20.006 4.499 1.00 44.13 H new ATOM 0 HB2 ASP A 36 -7.946 -20.149 6.953 1.00 13.24 H new ATOM 0 HB3 ASP A 36 -8.726 -18.615 6.621 1.00 13.24 H new ATOM 596 N PHE A 37 -8.516 -17.722 4.122 1.00 4.13 N ATOM 597 CA PHE A 37 -7.818 -16.595 3.438 1.00 61.42 C ATOM 598 C PHE A 37 -7.681 -15.420 4.411 1.00 62.32 C ATOM 599 O PHE A 37 -8.628 -14.696 4.658 1.00 45.12 O ATOM 600 CB PHE A 37 -8.731 -16.214 2.274 1.00 44.03 C ATOM 601 CG PHE A 37 -8.564 -17.203 1.148 1.00 34.00 C ATOM 602 CD1 PHE A 37 -7.570 -17.004 0.182 1.00 75.32 C ATOM 603 CD2 PHE A 37 -9.407 -18.318 1.066 1.00 32.05 C ATOM 604 CE1 PHE A 37 -7.422 -17.917 -0.868 1.00 73.33 C ATOM 605 CE2 PHE A 37 -9.256 -19.233 0.016 1.00 63.25 C ATOM 606 CZ PHE A 37 -8.264 -19.032 -0.949 1.00 51.31 C ATOM 0 H PHE A 37 -9.441 -17.496 4.487 1.00 4.13 H new ATOM 0 HA PHE A 37 -6.818 -16.863 3.098 1.00 61.42 H new ATOM 0 HB2 PHE A 37 -9.769 -16.198 2.605 1.00 44.03 H new ATOM 0 HB3 PHE A 37 -8.492 -15.209 1.926 1.00 44.03 H new ATOM 0 HD1 PHE A 37 -6.918 -16.146 0.247 1.00 75.32 H new ATOM 0 HD2 PHE A 37 -10.173 -18.472 1.812 1.00 32.05 H new ATOM 0 HE1 PHE A 37 -6.658 -17.761 -1.616 1.00 73.33 H new ATOM 0 HE2 PHE A 37 -9.906 -20.093 -0.048 1.00 63.25 H new ATOM 0 HZ PHE A 37 -8.147 -19.738 -1.758 1.00 51.31 H new ATOM 616 N SER A 38 -6.521 -15.229 4.974 1.00 14.21 N ATOM 617 CA SER A 38 -6.336 -14.109 5.941 1.00 35.24 C ATOM 618 C SER A 38 -5.432 -13.022 5.354 1.00 3.32 C ATOM 619 O SER A 38 -5.211 -11.995 5.964 1.00 65.12 O ATOM 620 CB SER A 38 -5.683 -14.747 7.163 1.00 12.24 C ATOM 621 OG SER A 38 -4.268 -14.654 7.042 1.00 3.21 O ATOM 0 H SER A 38 -5.692 -15.800 4.807 1.00 14.21 H new ATOM 0 HA SER A 38 -7.281 -13.624 6.185 1.00 35.24 H new ATOM 0 HB2 SER A 38 -6.016 -14.245 8.071 1.00 12.24 H new ATOM 0 HB3 SER A 38 -5.985 -15.791 7.247 1.00 12.24 H new ATOM 0 HG SER A 38 -3.931 -15.427 6.543 1.00 3.21 H new ATOM 627 N ARG A 39 -4.907 -13.232 4.177 1.00 52.24 N ATOM 628 CA ARG A 39 -4.018 -12.198 3.572 1.00 71.10 C ATOM 629 C ARG A 39 -4.792 -11.373 2.546 1.00 12.03 C ATOM 630 O ARG A 39 -4.420 -10.263 2.217 1.00 71.22 O ATOM 631 CB ARG A 39 -2.896 -12.972 2.888 1.00 14.14 C ATOM 632 CG ARG A 39 -1.813 -11.993 2.427 1.00 23.52 C ATOM 633 CD ARG A 39 -1.394 -11.103 3.600 1.00 31.53 C ATOM 634 NE ARG A 39 -1.119 -12.044 4.719 1.00 61.41 N ATOM 635 CZ ARG A 39 0.043 -12.027 5.313 1.00 53.02 C ATOM 636 NH1 ARG A 39 1.131 -12.216 4.617 1.00 74.14 N ATOM 637 NH2 ARG A 39 0.116 -11.821 6.599 1.00 31.14 N ATOM 0 H ARG A 39 -5.053 -14.068 3.612 1.00 52.24 H new ATOM 0 HA ARG A 39 -3.633 -11.506 4.321 1.00 71.10 H new ATOM 0 HB2 ARG A 39 -2.472 -13.704 3.576 1.00 14.14 H new ATOM 0 HB3 ARG A 39 -3.288 -13.526 2.035 1.00 14.14 H new ATOM 0 HG2 ARG A 39 -0.951 -12.541 2.047 1.00 23.52 H new ATOM 0 HG3 ARG A 39 -2.188 -11.380 1.607 1.00 23.52 H new ATOM 0 HD2 ARG A 39 -0.510 -10.515 3.353 1.00 31.53 H new ATOM 0 HD3 ARG A 39 -2.183 -10.398 3.862 1.00 31.53 H new ATOM 0 HE ARG A 39 -1.838 -12.702 5.022 1.00 61.41 H new ATOM 0 HH11 ARG A 39 1.072 -12.376 3.611 1.00 74.14 H new ATOM 0 HH12 ARG A 39 2.040 -12.203 5.079 1.00 74.14 H new ATOM 0 HH21 ARG A 39 -0.735 -11.673 7.141 1.00 31.14 H new ATOM 0 HH22 ARG A 39 1.024 -11.808 7.063 1.00 31.14 H new ATOM 651 N VAL A 40 -5.863 -11.906 2.034 1.00 42.31 N ATOM 652 CA VAL A 40 -6.657 -11.153 1.030 1.00 75.31 C ATOM 653 C VAL A 40 -7.258 -9.901 1.676 1.00 20.22 C ATOM 654 O VAL A 40 -7.807 -9.964 2.756 1.00 62.04 O ATOM 655 CB VAL A 40 -7.762 -12.115 0.602 1.00 73.40 C ATOM 656 CG1 VAL A 40 -8.677 -12.390 1.794 1.00 44.30 C ATOM 657 CG2 VAL A 40 -8.574 -11.483 -0.532 1.00 23.13 C ATOM 0 H VAL A 40 -6.223 -12.831 2.268 1.00 42.31 H new ATOM 0 HA VAL A 40 -6.055 -10.822 0.184 1.00 75.31 H new ATOM 0 HB VAL A 40 -7.323 -13.050 0.255 1.00 73.40 H new ATOM 0 HG11 VAL A 40 -9.469 -13.077 1.494 1.00 44.30 H new ATOM 0 HG12 VAL A 40 -8.097 -12.835 2.603 1.00 44.30 H new ATOM 0 HG13 VAL A 40 -9.119 -11.454 2.137 1.00 44.30 H new ATOM 0 HG21 VAL A 40 -9.364 -12.168 -0.840 1.00 23.13 H new ATOM 0 HG22 VAL A 40 -9.018 -10.550 -0.185 1.00 23.13 H new ATOM 0 HG23 VAL A 40 -7.919 -11.281 -1.379 1.00 23.13 H new ATOM 667 N PRO A 41 -7.130 -8.805 0.985 1.00 11.12 N ATOM 668 CA PRO A 41 -7.665 -7.515 1.489 1.00 52.41 C ATOM 669 C PRO A 41 -9.197 -7.527 1.475 1.00 21.11 C ATOM 670 O PRO A 41 -9.816 -8.101 0.603 1.00 41.41 O ATOM 671 CB PRO A 41 -7.115 -6.489 0.499 1.00 2.12 C ATOM 672 CG PRO A 41 -6.854 -7.267 -0.748 1.00 11.51 C ATOM 673 CD PRO A 41 -6.481 -8.660 -0.320 1.00 43.23 C ATOM 0 HA PRO A 41 -7.376 -7.303 2.518 1.00 52.41 H new ATOM 0 HB2 PRO A 41 -7.831 -5.686 0.322 1.00 2.12 H new ATOM 0 HB3 PRO A 41 -6.203 -6.026 0.875 1.00 2.12 H new ATOM 0 HG2 PRO A 41 -7.737 -7.282 -1.386 1.00 11.51 H new ATOM 0 HG3 PRO A 41 -6.050 -6.812 -1.327 1.00 11.51 H new ATOM 0 HD2 PRO A 41 -6.837 -9.406 -1.030 1.00 43.23 H new ATOM 0 HD3 PRO A 41 -5.400 -8.781 -0.246 1.00 43.23 H new ATOM 681 N GLU A 42 -9.811 -6.900 2.442 1.00 42.50 N ATOM 682 CA GLU A 42 -11.304 -6.882 2.491 1.00 33.10 C ATOM 683 C GLU A 42 -11.870 -6.140 1.275 1.00 11.31 C ATOM 684 O GLU A 42 -13.047 -6.220 0.987 1.00 21.01 O ATOM 685 CB GLU A 42 -11.645 -6.140 3.783 1.00 34.04 C ATOM 686 CG GLU A 42 -13.064 -6.511 4.224 1.00 53.12 C ATOM 687 CD GLU A 42 -13.140 -6.504 5.753 1.00 42.25 C ATOM 688 OE1 GLU A 42 -12.967 -5.444 6.330 1.00 65.33 O ATOM 689 OE2 GLU A 42 -13.369 -7.559 6.320 1.00 43.01 O ATOM 0 H GLU A 42 -9.346 -6.400 3.199 1.00 42.50 H new ATOM 0 HA GLU A 42 -11.730 -7.885 2.471 1.00 33.10 H new ATOM 0 HB2 GLU A 42 -10.930 -6.400 4.564 1.00 34.04 H new ATOM 0 HB3 GLU A 42 -11.570 -5.064 3.628 1.00 34.04 H new ATOM 0 HG2 GLU A 42 -13.782 -5.803 3.810 1.00 53.12 H new ATOM 0 HG3 GLU A 42 -13.330 -7.496 3.840 1.00 53.12 H new ATOM 696 N GLU A 43 -11.046 -5.424 0.563 1.00 11.03 N ATOM 697 CA GLU A 43 -11.549 -4.685 -0.634 1.00 53.42 C ATOM 698 C GLU A 43 -11.793 -5.662 -1.787 1.00 32.20 C ATOM 699 O GLU A 43 -12.759 -5.551 -2.517 1.00 42.44 O ATOM 700 CB GLU A 43 -10.440 -3.686 -0.985 1.00 73.03 C ATOM 701 CG GLU A 43 -9.312 -4.400 -1.739 1.00 10.50 C ATOM 702 CD GLU A 43 -8.148 -3.432 -1.952 1.00 72.11 C ATOM 703 OE1 GLU A 43 -7.498 -3.094 -0.977 1.00 40.43 O ATOM 704 OE2 GLU A 43 -7.925 -3.045 -3.089 1.00 70.11 O ATOM 0 H GLU A 43 -10.050 -5.317 0.755 1.00 11.03 H new ATOM 0 HA GLU A 43 -12.496 -4.179 -0.444 1.00 53.42 H new ATOM 0 HB2 GLU A 43 -10.845 -2.880 -1.597 1.00 73.03 H new ATOM 0 HB3 GLU A 43 -10.049 -3.229 -0.076 1.00 73.03 H new ATOM 0 HG2 GLU A 43 -8.977 -5.270 -1.174 1.00 10.50 H new ATOM 0 HG3 GLU A 43 -9.676 -4.764 -2.700 1.00 10.50 H new ATOM 711 N LEU A 44 -10.924 -6.622 -1.953 1.00 0.40 N ATOM 712 CA LEU A 44 -11.106 -7.611 -3.053 1.00 13.32 C ATOM 713 C LEU A 44 -12.061 -8.718 -2.606 1.00 31.20 C ATOM 714 O LEU A 44 -12.996 -9.065 -3.301 1.00 42.24 O ATOM 715 CB LEU A 44 -9.708 -8.178 -3.310 1.00 64.53 C ATOM 716 CG LEU A 44 -9.322 -7.955 -4.772 1.00 51.35 C ATOM 717 CD1 LEU A 44 -7.837 -8.269 -4.958 1.00 34.02 C ATOM 718 CD2 LEU A 44 -10.153 -8.883 -5.664 1.00 62.54 C ATOM 0 H LEU A 44 -10.096 -6.764 -1.374 1.00 0.40 H new ATOM 0 HA LEU A 44 -11.533 -7.163 -3.950 1.00 13.32 H new ATOM 0 HB2 LEU A 44 -8.983 -7.695 -2.655 1.00 64.53 H new ATOM 0 HB3 LEU A 44 -9.688 -9.243 -3.077 1.00 64.53 H new ATOM 0 HG LEU A 44 -9.513 -6.917 -5.046 1.00 51.35 H new ATOM 0 HD11 LEU A 44 -7.559 -8.111 -6.000 1.00 34.02 H new ATOM 0 HD12 LEU A 44 -7.244 -7.613 -4.321 1.00 34.02 H new ATOM 0 HD13 LEU A 44 -7.648 -9.307 -4.686 1.00 34.02 H new ATOM 0 HD21 LEU A 44 -9.879 -8.726 -6.707 1.00 62.54 H new ATOM 0 HD22 LEU A 44 -9.959 -9.920 -5.390 1.00 62.54 H new ATOM 0 HD23 LEU A 44 -11.212 -8.664 -5.530 1.00 62.54 H new ATOM 730 N MET A 45 -11.839 -9.272 -1.444 1.00 73.11 N ATOM 731 CA MET A 45 -12.738 -10.352 -0.948 1.00 71.31 C ATOM 732 C MET A 45 -14.196 -9.888 -1.017 1.00 13.32 C ATOM 733 O MET A 45 -15.104 -10.682 -1.157 1.00 55.20 O ATOM 734 CB MET A 45 -12.314 -10.584 0.502 1.00 62.51 C ATOM 735 CG MET A 45 -13.110 -11.752 1.088 1.00 52.00 C ATOM 736 SD MET A 45 -12.093 -12.628 2.303 1.00 14.14 S ATOM 737 CE MET A 45 -11.578 -13.990 1.228 1.00 52.05 C ATOM 0 H MET A 45 -11.074 -9.023 -0.817 1.00 73.11 H new ATOM 0 HA MET A 45 -12.664 -11.263 -1.542 1.00 71.31 H new ATOM 0 HB2 MET A 45 -11.246 -10.798 0.550 1.00 62.51 H new ATOM 0 HB3 MET A 45 -12.485 -9.682 1.090 1.00 62.51 H new ATOM 0 HG2 MET A 45 -14.022 -11.384 1.559 1.00 52.00 H new ATOM 0 HG3 MET A 45 -13.414 -12.434 0.294 1.00 52.00 H new ATOM 0 HE1 MET A 45 -10.821 -14.588 1.735 1.00 52.05 H new ATOM 0 HE2 MET A 45 -12.439 -14.616 0.996 1.00 52.05 H new ATOM 0 HE3 MET A 45 -11.163 -13.587 0.304 1.00 52.05 H new ATOM 747 N LYS A 46 -14.424 -8.606 -0.925 1.00 31.21 N ATOM 748 CA LYS A 46 -15.821 -8.094 -0.991 1.00 4.31 C ATOM 749 C LYS A 46 -16.538 -8.689 -2.205 1.00 13.31 C ATOM 750 O LYS A 46 -17.645 -9.176 -2.108 1.00 22.31 O ATOM 751 CB LYS A 46 -15.682 -6.578 -1.135 1.00 32.25 C ATOM 752 CG LYS A 46 -17.003 -5.903 -0.760 1.00 54.12 C ATOM 753 CD LYS A 46 -16.733 -4.790 0.255 1.00 35.14 C ATOM 754 CE LYS A 46 -16.685 -3.441 -0.467 1.00 31.04 C ATOM 755 NZ LYS A 46 -17.750 -2.624 0.173 1.00 71.31 N ATOM 0 H LYS A 46 -13.704 -7.893 -0.807 1.00 31.21 H new ATOM 0 HA LYS A 46 -16.406 -8.364 -0.111 1.00 4.31 H new ATOM 0 HB2 LYS A 46 -14.881 -6.214 -0.492 1.00 32.25 H new ATOM 0 HB3 LYS A 46 -15.410 -6.323 -2.159 1.00 32.25 H new ATOM 0 HG2 LYS A 46 -17.480 -5.492 -1.650 1.00 54.12 H new ATOM 0 HG3 LYS A 46 -17.692 -6.635 -0.339 1.00 54.12 H new ATOM 0 HD2 LYS A 46 -17.514 -4.780 1.016 1.00 35.14 H new ATOM 0 HD3 LYS A 46 -15.789 -4.973 0.769 1.00 35.14 H new ATOM 0 HE2 LYS A 46 -15.708 -2.970 -0.359 1.00 31.04 H new ATOM 0 HE3 LYS A 46 -16.866 -3.558 -1.535 1.00 31.04 H new ATOM 0 HZ1 LYS A 46 -17.779 -1.683 -0.269 1.00 71.31 H new ATOM 0 HZ2 LYS A 46 -18.670 -3.093 0.048 1.00 71.31 H new ATOM 0 HZ3 LYS A 46 -17.547 -2.523 1.188 1.00 71.31 H new ATOM 769 N GLY A 47 -15.908 -8.659 -3.349 1.00 64.13 N ATOM 770 CA GLY A 47 -16.548 -9.230 -4.566 1.00 31.41 C ATOM 771 C GLY A 47 -16.628 -10.749 -4.425 1.00 53.14 C ATOM 772 O GLY A 47 -17.595 -11.370 -4.818 1.00 52.22 O ATOM 0 H GLY A 47 -14.979 -8.264 -3.492 1.00 64.13 H new ATOM 0 HA2 GLY A 47 -17.546 -8.812 -4.697 1.00 31.41 H new ATOM 0 HA3 GLY A 47 -15.972 -8.965 -5.453 1.00 31.41 H new ATOM 776 N PHE A 48 -15.618 -11.352 -3.860 1.00 34.40 N ATOM 777 CA PHE A 48 -15.633 -12.830 -3.687 1.00 12.25 C ATOM 778 C PHE A 48 -16.659 -13.222 -2.619 1.00 71.33 C ATOM 779 O PHE A 48 -17.499 -14.073 -2.834 1.00 54.00 O ATOM 780 CB PHE A 48 -14.218 -13.186 -3.230 1.00 32.44 C ATOM 781 CG PHE A 48 -13.735 -14.401 -3.985 1.00 65.52 C ATOM 782 CD1 PHE A 48 -14.570 -15.516 -4.118 1.00 74.22 C ATOM 783 CD2 PHE A 48 -12.455 -14.412 -4.548 1.00 15.33 C ATOM 784 CE1 PHE A 48 -14.124 -16.643 -4.820 1.00 63.20 C ATOM 785 CE2 PHE A 48 -12.009 -15.541 -5.250 1.00 12.41 C ATOM 786 CZ PHE A 48 -12.843 -16.656 -5.385 1.00 13.11 C ATOM 0 H PHE A 48 -14.782 -10.883 -3.511 1.00 34.40 H new ATOM 0 HA PHE A 48 -15.909 -13.354 -4.602 1.00 12.25 H new ATOM 0 HB2 PHE A 48 -13.546 -12.346 -3.404 1.00 32.44 H new ATOM 0 HB3 PHE A 48 -14.210 -13.384 -2.158 1.00 32.44 H new ATOM 0 HD1 PHE A 48 -15.557 -15.508 -3.680 1.00 74.22 H new ATOM 0 HD2 PHE A 48 -11.811 -13.552 -4.442 1.00 15.33 H new ATOM 0 HE1 PHE A 48 -14.769 -17.503 -4.926 1.00 63.20 H new ATOM 0 HE2 PHE A 48 -11.021 -15.550 -5.687 1.00 12.41 H new ATOM 0 HZ PHE A 48 -12.499 -17.526 -5.925 1.00 13.11 H new ATOM 796 N GLY A 49 -16.594 -12.608 -1.470 1.00 0.23 N ATOM 797 CA GLY A 49 -17.562 -12.944 -0.390 1.00 31.33 C ATOM 798 C GLY A 49 -17.416 -14.422 -0.028 1.00 64.22 C ATOM 799 O GLY A 49 -16.557 -14.800 0.744 1.00 73.24 O ATOM 0 H GLY A 49 -15.912 -11.888 -1.233 1.00 0.23 H new ATOM 0 HA2 GLY A 49 -17.378 -12.322 0.486 1.00 31.33 H new ATOM 0 HA3 GLY A 49 -18.580 -12.737 -0.720 1.00 31.33 H new ATOM 803 N GLN A 50 -18.244 -15.262 -0.585 1.00 31.24 N ATOM 804 CA GLN A 50 -18.142 -16.714 -0.275 1.00 71.04 C ATOM 805 C GLN A 50 -17.554 -17.464 -1.470 1.00 10.10 C ATOM 806 O GLN A 50 -18.223 -17.679 -2.462 1.00 52.42 O ATOM 807 CB GLN A 50 -19.578 -17.168 -0.004 1.00 13.54 C ATOM 808 CG GLN A 50 -19.787 -17.326 1.503 1.00 42.12 C ATOM 809 CD GLN A 50 -20.040 -15.954 2.131 1.00 44.22 C ATOM 810 OE1 GLN A 50 -19.044 -15.124 2.279 1.00 23.10 O flip ATOM 811 NE2 GLN A 50 -21.154 -15.637 2.492 1.00 13.12 N flip ATOM 0 H GLN A 50 -18.984 -15.006 -1.239 1.00 31.24 H new ATOM 0 HA GLN A 50 -17.490 -16.911 0.576 1.00 71.04 H new ATOM 0 HB2 GLN A 50 -20.283 -16.440 -0.405 1.00 13.54 H new ATOM 0 HB3 GLN A 50 -19.774 -18.113 -0.510 1.00 13.54 H new ATOM 0 HG2 GLN A 50 -20.632 -17.987 1.696 1.00 42.12 H new ATOM 0 HG3 GLN A 50 -18.910 -17.789 1.956 1.00 42.12 H new ATOM 0 HE21 GLN A 50 -21.932 -16.286 2.376 1.00 13.12 H new ATOM 0 HE22 GLN A 50 -21.313 -14.721 2.912 1.00 13.12 H new ATOM 820 N PRO A 51 -16.309 -17.834 -1.336 1.00 4.32 N ATOM 821 CA PRO A 51 -15.609 -18.565 -2.421 1.00 61.41 C ATOM 822 C PRO A 51 -16.119 -20.005 -2.516 1.00 40.43 C ATOM 823 O PRO A 51 -16.663 -20.548 -1.576 1.00 31.14 O ATOM 824 CB PRO A 51 -14.146 -18.530 -1.987 1.00 52.43 C ATOM 825 CG PRO A 51 -14.187 -18.366 -0.499 1.00 13.14 C ATOM 826 CD PRO A 51 -15.448 -17.611 -0.169 1.00 70.35 C ATOM 0 HA PRO A 51 -15.768 -18.126 -3.406 1.00 61.41 H new ATOM 0 HB2 PRO A 51 -13.629 -19.447 -2.269 1.00 52.43 H new ATOM 0 HB3 PRO A 51 -13.613 -17.705 -2.460 1.00 52.43 H new ATOM 0 HG2 PRO A 51 -14.180 -19.337 -0.004 1.00 13.14 H new ATOM 0 HG3 PRO A 51 -13.310 -17.823 -0.147 1.00 13.14 H new ATOM 0 HD2 PRO A 51 -15.910 -17.984 0.745 1.00 70.35 H new ATOM 0 HD3 PRO A 51 -15.250 -16.550 -0.016 1.00 70.35 H new ATOM 834 N GLN A 52 -15.942 -20.631 -3.648 1.00 30.35 N ATOM 835 CA GLN A 52 -16.413 -22.035 -3.809 1.00 65.52 C ATOM 836 C GLN A 52 -15.293 -22.901 -4.392 1.00 74.21 C ATOM 837 O GLN A 52 -14.382 -22.408 -5.026 1.00 73.34 O ATOM 838 CB GLN A 52 -17.590 -21.952 -4.785 1.00 32.41 C ATOM 839 CG GLN A 52 -18.509 -20.800 -4.383 1.00 35.23 C ATOM 840 CD GLN A 52 -19.128 -21.088 -3.013 1.00 74.04 C ATOM 841 OE1 GLN A 52 -19.433 -22.221 -2.698 1.00 1.33 O ATOM 842 NE2 GLN A 52 -19.322 -20.104 -2.178 1.00 1.24 N ATOM 0 H GLN A 52 -15.490 -20.229 -4.470 1.00 30.35 H new ATOM 0 HA GLN A 52 -16.704 -22.485 -2.860 1.00 65.52 H new ATOM 0 HB2 GLN A 52 -17.224 -21.801 -5.800 1.00 32.41 H new ATOM 0 HB3 GLN A 52 -18.144 -22.891 -4.783 1.00 32.41 H new ATOM 0 HG2 GLN A 52 -17.946 -19.867 -4.350 1.00 35.23 H new ATOM 0 HG3 GLN A 52 -19.294 -20.672 -5.128 1.00 35.23 H new ATOM 0 HE21 GLN A 52 -19.066 -19.153 -2.442 1.00 1.24 H new ATOM 0 HE22 GLN A 52 -19.730 -20.286 -1.261 1.00 1.24 H new ATOM 851 N LEU A 53 -15.352 -24.187 -4.186 1.00 51.24 N ATOM 852 CA LEU A 53 -14.287 -25.079 -4.731 1.00 34.01 C ATOM 853 C LEU A 53 -14.613 -25.459 -6.179 1.00 2.34 C ATOM 854 O LEU A 53 -15.423 -26.328 -6.435 1.00 25.04 O ATOM 855 CB LEU A 53 -14.308 -26.317 -3.835 1.00 51.32 C ATOM 856 CG LEU A 53 -12.881 -26.829 -3.619 1.00 21.41 C ATOM 857 CD1 LEU A 53 -12.313 -27.350 -4.942 1.00 35.25 C ATOM 858 CD2 LEU A 53 -12.001 -25.690 -3.100 1.00 14.43 C ATOM 0 H LEU A 53 -16.090 -24.660 -3.665 1.00 51.24 H new ATOM 0 HA LEU A 53 -13.308 -24.600 -4.738 1.00 34.01 H new ATOM 0 HB2 LEU A 53 -14.766 -26.075 -2.876 1.00 51.32 H new ATOM 0 HB3 LEU A 53 -14.918 -27.097 -4.291 1.00 51.32 H new ATOM 0 HG LEU A 53 -12.897 -27.638 -2.889 1.00 21.41 H new ATOM 0 HD11 LEU A 53 -11.298 -27.713 -4.784 1.00 35.25 H new ATOM 0 HD12 LEU A 53 -12.937 -28.165 -5.310 1.00 35.25 H new ATOM 0 HD13 LEU A 53 -12.300 -26.543 -5.675 1.00 35.25 H new ATOM 0 HD21 LEU A 53 -10.986 -26.056 -2.947 1.00 14.43 H new ATOM 0 HD22 LEU A 53 -11.989 -24.879 -3.828 1.00 14.43 H new ATOM 0 HD23 LEU A 53 -12.401 -25.323 -2.155 1.00 14.43 H new ATOM 870 N ALA A 54 -13.982 -24.820 -7.127 1.00 62.41 N ATOM 871 CA ALA A 54 -14.255 -25.151 -8.555 1.00 43.23 C ATOM 872 C ALA A 54 -13.310 -26.262 -9.023 1.00 45.00 C ATOM 873 O ALA A 54 -13.738 -27.289 -9.512 1.00 22.04 O ATOM 874 CB ALA A 54 -13.985 -23.858 -9.324 1.00 10.23 C ATOM 0 H ALA A 54 -13.291 -24.085 -6.975 1.00 62.41 H new ATOM 0 HA ALA A 54 -15.273 -25.508 -8.710 1.00 43.23 H new ATOM 0 HB1 ALA A 54 -14.165 -24.022 -10.386 1.00 10.23 H new ATOM 0 HB2 ALA A 54 -14.649 -23.073 -8.961 1.00 10.23 H new ATOM 0 HB3 ALA A 54 -12.949 -23.555 -9.174 1.00 10.23 H new ATOM 880 N MET A 55 -12.030 -26.067 -8.871 1.00 73.42 N ATOM 881 CA MET A 55 -11.057 -27.111 -9.300 1.00 41.13 C ATOM 882 C MET A 55 -9.874 -27.156 -8.333 1.00 44.53 C ATOM 883 O MET A 55 -9.366 -26.136 -7.910 1.00 62.21 O ATOM 884 CB MET A 55 -10.597 -26.680 -10.694 1.00 74.03 C ATOM 885 CG MET A 55 -11.132 -27.667 -11.733 1.00 62.10 C ATOM 886 SD MET A 55 -10.815 -27.025 -13.395 1.00 24.40 S ATOM 887 CE MET A 55 -12.154 -27.906 -14.234 1.00 63.32 C ATOM 0 H MET A 55 -11.614 -25.228 -8.467 1.00 73.42 H new ATOM 0 HA MET A 55 -11.498 -28.108 -9.310 1.00 41.13 H new ATOM 0 HB2 MET A 55 -10.956 -25.674 -10.913 1.00 74.03 H new ATOM 0 HB3 MET A 55 -9.508 -26.646 -10.735 1.00 74.03 H new ATOM 0 HG2 MET A 55 -10.652 -28.638 -11.609 1.00 62.10 H new ATOM 0 HG3 MET A 55 -12.202 -27.819 -11.588 1.00 62.10 H new ATOM 0 HE1 MET A 55 -12.147 -27.654 -15.294 1.00 63.32 H new ATOM 0 HE2 MET A 55 -12.013 -28.980 -14.116 1.00 63.32 H new ATOM 0 HE3 MET A 55 -13.110 -27.616 -13.798 1.00 63.32 H new ATOM 897 N ILE A 56 -9.429 -28.328 -7.975 1.00 63.42 N ATOM 898 CA ILE A 56 -8.280 -28.430 -7.030 1.00 23.41 C ATOM 899 C ILE A 56 -7.002 -28.801 -7.787 1.00 22.13 C ATOM 900 O ILE A 56 -6.981 -29.725 -8.576 1.00 34.24 O ATOM 901 CB ILE A 56 -8.670 -29.541 -6.056 1.00 11.34 C ATOM 902 CG1 ILE A 56 -9.957 -29.151 -5.326 1.00 25.14 C ATOM 903 CG2 ILE A 56 -7.549 -29.740 -5.033 1.00 74.22 C ATOM 904 CD1 ILE A 56 -10.631 -30.406 -4.768 1.00 14.21 C ATOM 0 H ILE A 56 -9.810 -29.219 -8.295 1.00 63.42 H new ATOM 0 HA ILE A 56 -8.081 -27.489 -6.517 1.00 23.41 H new ATOM 0 HB ILE A 56 -8.829 -30.467 -6.608 1.00 11.34 H new ATOM 0 HG12 ILE A 56 -9.732 -28.457 -4.517 1.00 25.14 H new ATOM 0 HG13 ILE A 56 -10.633 -28.636 -6.009 1.00 25.14 H new ATOM 0 HG21 ILE A 56 -7.827 -30.532 -4.338 1.00 74.22 H new ATOM 0 HG22 ILE A 56 -6.630 -30.016 -5.550 1.00 74.22 H new ATOM 0 HG23 ILE A 56 -7.391 -28.813 -4.482 1.00 74.22 H new ATOM 0 HD11 ILE A 56 -11.547 -30.126 -4.248 1.00 14.21 H new ATOM 0 HD12 ILE A 56 -10.871 -31.085 -5.586 1.00 14.21 H new ATOM 0 HD13 ILE A 56 -9.956 -30.902 -4.071 1.00 14.21 H new ATOM 916 N LEU A 57 -5.936 -28.085 -7.554 1.00 11.15 N ATOM 917 CA LEU A 57 -4.659 -28.394 -8.260 1.00 72.21 C ATOM 918 C LEU A 57 -3.826 -29.382 -7.434 1.00 53.20 C ATOM 919 O LEU A 57 -3.517 -29.127 -6.287 1.00 62.53 O ATOM 920 CB LEU A 57 -3.937 -27.052 -8.378 1.00 61.30 C ATOM 921 CG LEU A 57 -2.517 -27.280 -8.898 1.00 2.14 C ATOM 922 CD1 LEU A 57 -2.409 -26.766 -10.334 1.00 54.11 C ATOM 923 CD2 LEU A 57 -1.527 -26.525 -8.013 1.00 71.24 C ATOM 0 H LEU A 57 -5.894 -27.299 -6.905 1.00 11.15 H new ATOM 0 HA LEU A 57 -4.825 -28.854 -9.234 1.00 72.21 H new ATOM 0 HB2 LEU A 57 -4.481 -26.392 -9.054 1.00 61.30 H new ATOM 0 HB3 LEU A 57 -3.905 -26.558 -7.407 1.00 61.30 H new ATOM 0 HG LEU A 57 -2.289 -28.346 -8.876 1.00 2.14 H new ATOM 0 HD11 LEU A 57 -1.397 -26.929 -10.704 1.00 54.11 H new ATOM 0 HD12 LEU A 57 -3.117 -27.302 -10.966 1.00 54.11 H new ATOM 0 HD13 LEU A 57 -2.636 -25.700 -10.357 1.00 54.11 H new ATOM 0 HD21 LEU A 57 -0.514 -26.686 -8.381 1.00 71.24 H new ATOM 0 HD22 LEU A 57 -1.757 -25.460 -8.037 1.00 71.24 H new ATOM 0 HD23 LEU A 57 -1.603 -26.890 -6.989 1.00 71.24 H new ATOM 935 N PRO A 58 -3.490 -30.484 -8.050 1.00 51.12 N ATOM 936 CA PRO A 58 -2.686 -31.526 -7.363 1.00 23.10 C ATOM 937 C PRO A 58 -1.241 -31.059 -7.185 1.00 22.41 C ATOM 938 O PRO A 58 -0.865 -29.989 -7.623 1.00 34.22 O ATOM 939 CB PRO A 58 -2.759 -32.718 -8.313 1.00 74.33 C ATOM 940 CG PRO A 58 -3.030 -32.121 -9.657 1.00 11.31 C ATOM 941 CD PRO A 58 -3.822 -30.863 -9.426 1.00 45.10 C ATOM 0 HA PRO A 58 -3.053 -31.759 -6.363 1.00 23.10 H new ATOM 0 HB2 PRO A 58 -1.826 -33.282 -8.312 1.00 74.33 H new ATOM 0 HB3 PRO A 58 -3.550 -33.409 -8.021 1.00 74.33 H new ATOM 0 HG2 PRO A 58 -2.097 -31.900 -10.176 1.00 11.31 H new ATOM 0 HG3 PRO A 58 -3.587 -32.818 -10.284 1.00 11.31 H new ATOM 0 HD2 PRO A 58 -3.545 -30.081 -10.133 1.00 45.10 H new ATOM 0 HD3 PRO A 58 -4.891 -31.037 -9.545 1.00 45.10 H new ATOM 949 N LEU A 59 -0.430 -31.854 -6.546 1.00 14.04 N ATOM 950 CA LEU A 59 0.995 -31.461 -6.338 1.00 3.12 C ATOM 951 C LEU A 59 1.928 -32.441 -7.055 1.00 53.21 C ATOM 952 O LEU A 59 2.703 -33.142 -6.437 1.00 64.54 O ATOM 953 CB LEU A 59 1.224 -31.506 -4.822 1.00 20.13 C ATOM 954 CG LEU A 59 0.444 -32.668 -4.197 1.00 0.52 C ATOM 955 CD1 LEU A 59 0.900 -33.992 -4.820 1.00 14.05 C ATOM 956 CD2 LEU A 59 0.705 -32.699 -2.690 1.00 2.51 C ATOM 0 H LEU A 59 -0.691 -32.760 -6.158 1.00 14.04 H new ATOM 0 HA LEU A 59 1.203 -30.470 -6.742 1.00 3.12 H new ATOM 0 HB2 LEU A 59 2.288 -31.619 -4.612 1.00 20.13 H new ATOM 0 HB3 LEU A 59 0.909 -30.565 -4.372 1.00 20.13 H new ATOM 0 HG LEU A 59 -0.621 -32.531 -4.383 1.00 0.52 H new ATOM 0 HD11 LEU A 59 0.343 -34.815 -4.373 1.00 14.05 H new ATOM 0 HD12 LEU A 59 0.717 -33.971 -5.894 1.00 14.05 H new ATOM 0 HD13 LEU A 59 1.965 -34.133 -4.637 1.00 14.05 H new ATOM 0 HD21 LEU A 59 0.152 -33.524 -2.242 1.00 2.51 H new ATOM 0 HD22 LEU A 59 1.771 -32.836 -2.508 1.00 2.51 H new ATOM 0 HD23 LEU A 59 0.378 -31.759 -2.245 1.00 2.51 H new ATOM 1090 N ASN A 67 -6.927 -19.515 -16.518 1.00 21.31 N ATOM 1091 CA ASN A 67 -7.208 -18.199 -15.879 1.00 71.12 C ATOM 1092 C ASN A 67 -5.937 -17.619 -15.254 1.00 53.42 C ATOM 1093 O ASN A 67 -5.458 -16.576 -15.654 1.00 2.23 O ATOM 1094 CB ASN A 67 -8.253 -18.496 -14.801 1.00 31.04 C ATOM 1095 CG ASN A 67 -9.504 -19.092 -15.450 1.00 74.41 C ATOM 1096 OD1 ASN A 67 -10.056 -18.522 -16.367 1.00 20.32 O ATOM 1097 ND2 ASN A 67 -9.977 -20.224 -15.003 1.00 74.31 N ATOM 0 HA ASN A 67 -7.563 -17.462 -16.600 1.00 71.12 H new ATOM 0 HB2 ASN A 67 -7.846 -19.191 -14.067 1.00 31.04 H new ATOM 0 HB3 ASN A 67 -8.509 -17.581 -14.266 1.00 31.04 H new ATOM 0 HD21 ASN A 67 -10.812 -20.630 -15.425 1.00 74.31 H new ATOM 0 HD22 ASN A 67 -9.511 -20.702 -14.232 1.00 74.31 H new ATOM 1104 N ALA A 68 -5.385 -18.280 -14.272 1.00 4.04 N ATOM 1105 CA ALA A 68 -4.149 -17.755 -13.627 1.00 31.33 C ATOM 1106 C ALA A 68 -2.985 -18.727 -13.827 1.00 73.43 C ATOM 1107 O ALA A 68 -3.176 -19.912 -14.005 1.00 54.32 O ATOM 1108 CB ALA A 68 -4.496 -17.633 -12.143 1.00 24.33 C ATOM 0 H ALA A 68 -5.736 -19.158 -13.890 1.00 4.04 H new ATOM 0 HA ALA A 68 -3.839 -16.801 -14.054 1.00 31.33 H new ATOM 0 HB1 ALA A 68 -3.633 -17.251 -11.598 1.00 24.33 H new ATOM 0 HB2 ALA A 68 -5.335 -16.948 -12.021 1.00 24.33 H new ATOM 0 HB3 ALA A 68 -4.768 -18.613 -11.751 1.00 24.33 H new ATOM 1114 N ASP A 69 -1.779 -18.231 -13.795 1.00 32.03 N ATOM 1115 CA ASP A 69 -0.605 -19.126 -13.977 1.00 52.51 C ATOM 1116 C ASP A 69 -0.172 -19.699 -12.627 1.00 74.42 C ATOM 1117 O ASP A 69 0.332 -18.999 -11.772 1.00 14.14 O ATOM 1118 CB ASP A 69 0.490 -18.232 -14.558 1.00 72.32 C ATOM 1119 CG ASP A 69 0.102 -17.808 -15.978 1.00 44.33 C ATOM 1120 OD1 ASP A 69 -1.075 -17.595 -16.209 1.00 15.31 O ATOM 1121 OD2 ASP A 69 0.991 -17.709 -16.807 1.00 44.20 O ATOM 0 H ASP A 69 -1.557 -17.246 -13.651 1.00 32.03 H new ATOM 0 HA ASP A 69 -0.824 -19.972 -14.628 1.00 52.51 H new ATOM 0 HB2 ASP A 69 0.628 -17.352 -13.929 1.00 72.32 H new ATOM 0 HB3 ASP A 69 1.440 -18.766 -14.573 1.00 72.32 H new ATOM 1126 N ILE A 70 -0.375 -20.969 -12.432 1.00 10.05 N ATOM 1127 CA ILE A 70 0.010 -21.605 -11.141 1.00 61.02 C ATOM 1128 C ILE A 70 1.415 -21.159 -10.713 1.00 43.23 C ATOM 1129 O ILE A 70 1.706 -21.043 -9.539 1.00 11.13 O ATOM 1130 CB ILE A 70 -0.035 -23.113 -11.423 1.00 71.13 C ATOM 1131 CG1 ILE A 70 -0.347 -23.859 -10.125 1.00 61.12 C ATOM 1132 CG2 ILE A 70 1.308 -23.596 -11.979 1.00 30.00 C ATOM 1133 CD1 ILE A 70 0.564 -23.349 -9.007 1.00 14.22 C ATOM 0 H ILE A 70 -0.794 -21.600 -13.115 1.00 10.05 H new ATOM 0 HA ILE A 70 -0.655 -21.324 -10.324 1.00 61.02 H new ATOM 0 HB ILE A 70 -0.811 -23.311 -12.163 1.00 71.13 H new ATOM 0 HG12 ILE A 70 -1.392 -23.712 -9.852 1.00 61.12 H new ATOM 0 HG13 ILE A 70 -0.202 -24.930 -10.266 1.00 61.12 H new ATOM 0 HG21 ILE A 70 1.257 -24.667 -12.173 1.00 30.00 H new ATOM 0 HG22 ILE A 70 1.528 -23.069 -12.908 1.00 30.00 H new ATOM 0 HG23 ILE A 70 2.096 -23.396 -11.253 1.00 30.00 H new ATOM 0 HD11 ILE A 70 0.340 -23.882 -8.083 1.00 14.22 H new ATOM 0 HD12 ILE A 70 1.605 -23.519 -9.280 1.00 14.22 H new ATOM 0 HD13 ILE A 70 0.397 -22.282 -8.860 1.00 14.22 H new ATOM 1145 N GLU A 71 2.288 -20.918 -11.653 1.00 23.32 N ATOM 1146 CA GLU A 71 3.670 -20.491 -11.288 1.00 31.31 C ATOM 1147 C GLU A 71 3.641 -19.155 -10.539 1.00 62.42 C ATOM 1148 O GLU A 71 4.243 -19.010 -9.495 1.00 23.13 O ATOM 1149 CB GLU A 71 4.422 -20.361 -12.616 1.00 53.42 C ATOM 1150 CG GLU A 71 3.691 -19.382 -13.536 1.00 52.12 C ATOM 1151 CD GLU A 71 3.985 -19.738 -14.995 1.00 42.20 C ATOM 1152 OE1 GLU A 71 3.627 -20.830 -15.401 1.00 43.15 O ATOM 1153 OE2 GLU A 71 4.559 -18.909 -15.682 1.00 12.14 O ATOM 0 H GLU A 71 2.106 -20.998 -12.653 1.00 23.32 H new ATOM 0 HA GLU A 71 4.155 -21.206 -10.624 1.00 31.31 H new ATOM 0 HB2 GLU A 71 5.439 -20.013 -12.435 1.00 53.42 H new ATOM 0 HB3 GLU A 71 4.500 -21.336 -13.097 1.00 53.42 H new ATOM 0 HG2 GLU A 71 2.618 -19.423 -13.349 1.00 52.12 H new ATOM 0 HG3 GLU A 71 4.012 -18.361 -13.328 1.00 52.12 H new ATOM 1160 N LYS A 72 2.946 -18.176 -11.054 1.00 62.25 N ATOM 1161 CA LYS A 72 2.887 -16.863 -10.358 1.00 63.30 C ATOM 1162 C LYS A 72 2.294 -17.038 -8.960 1.00 65.44 C ATOM 1163 O LYS A 72 2.565 -16.271 -8.057 1.00 0.31 O ATOM 1164 CB LYS A 72 1.968 -16.002 -11.222 1.00 72.11 C ATOM 1165 CG LYS A 72 2.815 -15.123 -12.139 1.00 31.23 C ATOM 1166 CD LYS A 72 2.750 -13.676 -11.652 1.00 54.41 C ATOM 1167 CE LYS A 72 2.580 -12.749 -12.854 1.00 73.43 C ATOM 1168 NZ LYS A 72 1.352 -13.225 -13.552 1.00 43.03 N ATOM 0 H LYS A 72 2.418 -18.231 -11.925 1.00 62.25 H new ATOM 0 HA LYS A 72 3.872 -16.413 -10.234 1.00 63.30 H new ATOM 0 HB2 LYS A 72 1.308 -16.636 -11.814 1.00 72.11 H new ATOM 0 HB3 LYS A 72 1.332 -15.382 -10.590 1.00 72.11 H new ATOM 0 HG2 LYS A 72 3.848 -15.471 -12.144 1.00 31.23 H new ATOM 0 HG3 LYS A 72 2.451 -15.191 -13.164 1.00 31.23 H new ATOM 0 HD2 LYS A 72 1.918 -13.550 -10.960 1.00 54.41 H new ATOM 0 HD3 LYS A 72 3.659 -13.422 -11.107 1.00 54.41 H new ATOM 0 HE2 LYS A 72 2.475 -11.711 -12.538 1.00 73.43 H new ATOM 0 HE3 LYS A 72 3.448 -12.795 -13.511 1.00 73.43 H new ATOM 0 HZ1 LYS A 72 0.783 -12.407 -13.851 1.00 43.03 H new ATOM 0 HZ2 LYS A 72 1.622 -13.783 -14.387 1.00 43.03 H new ATOM 0 HZ3 LYS A 72 0.793 -13.818 -12.906 1.00 43.03 H new ATOM 1182 N VAL A 73 1.486 -18.044 -8.775 1.00 51.33 N ATOM 1183 CA VAL A 73 0.873 -18.275 -7.435 1.00 72.11 C ATOM 1184 C VAL A 73 1.909 -18.871 -6.478 1.00 11.25 C ATOM 1185 O VAL A 73 1.808 -18.730 -5.274 1.00 33.13 O ATOM 1186 CB VAL A 73 -0.258 -19.267 -7.692 1.00 41.15 C ATOM 1187 CG1 VAL A 73 -1.142 -19.371 -6.449 1.00 23.00 C ATOM 1188 CG2 VAL A 73 -1.099 -18.782 -8.876 1.00 75.34 C ATOM 0 H VAL A 73 1.223 -18.718 -9.494 1.00 51.33 H new ATOM 0 HA VAL A 73 0.512 -17.355 -6.975 1.00 72.11 H new ATOM 0 HB VAL A 73 0.163 -20.246 -7.919 1.00 41.15 H new ATOM 0 HG11 VAL A 73 -1.949 -20.080 -6.635 1.00 23.00 H new ATOM 0 HG12 VAL A 73 -0.544 -19.715 -5.605 1.00 23.00 H new ATOM 0 HG13 VAL A 73 -1.564 -18.393 -6.220 1.00 23.00 H new ATOM 0 HG21 VAL A 73 -1.908 -19.489 -9.062 1.00 75.34 H new ATOM 0 HG22 VAL A 73 -1.519 -17.802 -8.647 1.00 75.34 H new ATOM 0 HG23 VAL A 73 -0.470 -18.709 -9.763 1.00 75.34 H new ATOM 1198 N LYS A 74 2.904 -19.533 -6.999 1.00 63.20 N ATOM 1199 CA LYS A 74 3.945 -20.142 -6.118 1.00 13.22 C ATOM 1200 C LYS A 74 4.550 -19.088 -5.186 1.00 35.21 C ATOM 1201 O LYS A 74 4.568 -19.248 -3.982 1.00 14.20 O ATOM 1202 CB LYS A 74 5.009 -20.677 -7.079 1.00 21.21 C ATOM 1203 CG LYS A 74 4.399 -21.760 -7.971 1.00 51.12 C ATOM 1204 CD LYS A 74 4.433 -23.104 -7.238 1.00 34.13 C ATOM 1205 CE LYS A 74 3.008 -23.508 -6.850 1.00 1.24 C ATOM 1206 NZ LYS A 74 3.180 -24.584 -5.834 1.00 32.32 N ATOM 0 H LYS A 74 3.043 -19.680 -7.999 1.00 63.20 H new ATOM 0 HA LYS A 74 3.533 -20.924 -5.480 1.00 13.22 H new ATOM 0 HB2 LYS A 74 5.401 -19.865 -7.692 1.00 21.21 H new ATOM 0 HB3 LYS A 74 5.849 -21.086 -6.517 1.00 21.21 H new ATOM 0 HG2 LYS A 74 3.372 -21.499 -8.227 1.00 51.12 H new ATOM 0 HG3 LYS A 74 4.953 -21.830 -8.907 1.00 51.12 H new ATOM 0 HD2 LYS A 74 4.878 -23.867 -7.876 1.00 34.13 H new ATOM 0 HD3 LYS A 74 5.057 -23.029 -6.347 1.00 34.13 H new ATOM 0 HE2 LYS A 74 2.455 -22.663 -6.441 1.00 1.24 H new ATOM 0 HE3 LYS A 74 2.449 -23.866 -7.715 1.00 1.24 H new ATOM 0 HZ1 LYS A 74 2.246 -24.915 -5.517 1.00 32.32 H new ATOM 0 HZ2 LYS A 74 3.704 -25.378 -6.254 1.00 32.32 H new ATOM 0 HZ3 LYS A 74 3.710 -24.212 -5.020 1.00 32.32 H new ATOM 1220 N GLN A 75 5.054 -18.015 -5.733 1.00 15.24 N ATOM 1221 CA GLN A 75 5.666 -16.957 -4.878 1.00 74.32 C ATOM 1222 C GLN A 75 4.607 -16.302 -3.991 1.00 51.22 C ATOM 1223 O GLN A 75 4.919 -15.608 -3.046 1.00 62.10 O ATOM 1224 CB GLN A 75 6.243 -15.937 -5.861 1.00 1.41 C ATOM 1225 CG GLN A 75 5.113 -15.349 -6.705 1.00 53.42 C ATOM 1226 CD GLN A 75 4.393 -14.256 -5.911 1.00 44.24 C ATOM 1227 OE1 GLN A 75 3.106 -14.347 -5.724 1.00 4.22 O flip ATOM 1228 NE2 GLN A 75 5.011 -13.316 -5.453 1.00 42.04 N flip ATOM 0 H GLN A 75 5.069 -17.825 -6.735 1.00 15.24 H new ATOM 0 HA GLN A 75 6.427 -17.362 -4.211 1.00 74.32 H new ATOM 0 HB2 GLN A 75 6.757 -15.144 -5.319 1.00 1.41 H new ATOM 0 HB3 GLN A 75 6.982 -16.414 -6.505 1.00 1.41 H new ATOM 0 HG2 GLN A 75 5.514 -14.936 -7.630 1.00 53.42 H new ATOM 0 HG3 GLN A 75 4.409 -16.133 -6.985 1.00 53.42 H new ATOM 0 HE21 GLN A 75 6.018 -13.247 -5.601 1.00 42.04 H new ATOM 0 HE22 GLN A 75 4.523 -12.596 -4.921 1.00 42.04 H new ATOM 1237 N ALA A 76 3.358 -16.512 -4.291 1.00 14.00 N ATOM 1238 CA ALA A 76 2.283 -15.893 -3.463 1.00 34.53 C ATOM 1239 C ALA A 76 1.940 -16.793 -2.274 1.00 12.24 C ATOM 1240 O ALA A 76 1.799 -16.332 -1.159 1.00 43.35 O ATOM 1241 CB ALA A 76 1.084 -15.770 -4.402 1.00 41.00 C ATOM 0 H ALA A 76 3.033 -17.083 -5.071 1.00 14.00 H new ATOM 0 HA ALA A 76 2.584 -14.929 -3.053 1.00 34.53 H new ATOM 0 HB1 ALA A 76 0.247 -15.321 -3.867 1.00 41.00 H new ATOM 0 HB2 ALA A 76 1.350 -15.141 -5.252 1.00 41.00 H new ATOM 0 HB3 ALA A 76 0.798 -16.760 -4.759 1.00 41.00 H new ATOM 1247 N LEU A 77 1.801 -18.071 -2.501 1.00 33.53 N ATOM 1248 CA LEU A 77 1.464 -18.994 -1.377 1.00 61.24 C ATOM 1249 C LEU A 77 2.694 -19.231 -0.500 1.00 51.33 C ATOM 1250 O LEU A 77 2.583 -19.471 0.687 1.00 11.10 O ATOM 1251 CB LEU A 77 1.020 -20.296 -2.047 1.00 63.14 C ATOM 1252 CG LEU A 77 -0.049 -19.994 -3.099 1.00 14.24 C ATOM 1253 CD1 LEU A 77 -0.648 -21.306 -3.612 1.00 63.10 C ATOM 1254 CD2 LEU A 77 -1.156 -19.142 -2.474 1.00 0.42 C ATOM 0 H LEU A 77 1.906 -18.516 -3.413 1.00 33.53 H new ATOM 0 HA LEU A 77 0.687 -18.587 -0.729 1.00 61.24 H new ATOM 0 HB2 LEU A 77 1.875 -20.787 -2.513 1.00 63.14 H new ATOM 0 HB3 LEU A 77 0.625 -20.985 -1.300 1.00 63.14 H new ATOM 0 HG LEU A 77 0.404 -19.451 -3.928 1.00 14.24 H new ATOM 0 HD11 LEU A 77 -1.409 -21.090 -4.361 1.00 63.10 H new ATOM 0 HD12 LEU A 77 0.138 -21.915 -4.059 1.00 63.10 H new ATOM 0 HD13 LEU A 77 -1.100 -21.849 -2.782 1.00 63.10 H new ATOM 0 HD21 LEU A 77 -1.917 -18.927 -3.224 1.00 0.42 H new ATOM 0 HD22 LEU A 77 -1.608 -19.685 -1.644 1.00 0.42 H new ATOM 0 HD23 LEU A 77 -0.733 -18.206 -2.109 1.00 0.42 H new ATOM 1266 N THR A 78 3.867 -19.161 -1.067 1.00 32.53 N ATOM 1267 CA THR A 78 5.097 -19.379 -0.255 1.00 32.21 C ATOM 1268 C THR A 78 5.426 -18.112 0.542 1.00 63.41 C ATOM 1269 O THR A 78 5.945 -18.173 1.637 1.00 65.34 O ATOM 1270 CB THR A 78 6.200 -19.682 -1.274 1.00 74.51 C ATOM 1271 OG1 THR A 78 7.298 -20.290 -0.609 1.00 13.21 O ATOM 1272 CG2 THR A 78 6.663 -18.385 -1.944 1.00 25.32 C ATOM 0 H THR A 78 4.027 -18.963 -2.055 1.00 32.53 H new ATOM 0 HA THR A 78 4.983 -20.189 0.466 1.00 32.21 H new ATOM 0 HB THR A 78 5.811 -20.357 -2.036 1.00 74.51 H new ATOM 0 HG1 THR A 78 8.005 -20.487 -1.258 1.00 13.21 H new ATOM 0 HG21 THR A 78 7.447 -18.609 -2.667 1.00 25.32 H new ATOM 0 HG22 THR A 78 5.821 -17.919 -2.455 1.00 25.32 H new ATOM 0 HG23 THR A 78 7.051 -17.703 -1.187 1.00 25.32 H new ATOM 1280 N GLU A 79 5.120 -16.967 0.000 1.00 5.04 N ATOM 1281 CA GLU A 79 5.408 -15.698 0.723 1.00 13.23 C ATOM 1282 C GLU A 79 4.163 -15.227 1.476 1.00 51.24 C ATOM 1283 O GLU A 79 4.225 -14.867 2.635 1.00 44.22 O ATOM 1284 CB GLU A 79 5.793 -14.696 -0.368 1.00 23.12 C ATOM 1285 CG GLU A 79 7.125 -15.112 -0.995 1.00 12.23 C ATOM 1286 CD GLU A 79 8.134 -13.969 -0.855 1.00 64.12 C ATOM 1287 OE1 GLU A 79 7.869 -12.903 -1.386 1.00 44.14 O ATOM 1288 OE2 GLU A 79 9.153 -14.182 -0.220 1.00 12.52 O ATOM 0 H GLU A 79 4.682 -16.855 -0.914 1.00 5.04 H new ATOM 0 HA GLU A 79 6.200 -15.813 1.463 1.00 13.23 H new ATOM 0 HB2 GLU A 79 5.016 -14.657 -1.131 1.00 23.12 H new ATOM 0 HB3 GLU A 79 5.875 -13.695 0.055 1.00 23.12 H new ATOM 0 HG2 GLU A 79 7.505 -16.009 -0.506 1.00 12.23 H new ATOM 0 HG3 GLU A 79 6.983 -15.359 -2.047 1.00 12.23 H new ATOM 1295 N GLN A 80 3.029 -15.229 0.827 1.00 74.14 N ATOM 1296 CA GLN A 80 1.778 -14.784 1.505 1.00 71.11 C ATOM 1297 C GLN A 80 0.965 -16.005 1.944 1.00 45.10 C ATOM 1298 O GLN A 80 0.660 -16.177 3.107 1.00 25.13 O ATOM 1299 CB GLN A 80 0.992 -13.988 0.456 1.00 34.13 C ATOM 1300 CG GLN A 80 1.944 -13.153 -0.407 1.00 14.34 C ATOM 1301 CD GLN A 80 1.194 -12.641 -1.639 1.00 51.14 C ATOM 1302 OE1 GLN A 80 0.410 -13.455 -2.295 1.00 75.14 O flip ATOM 1303 NE2 GLN A 80 1.319 -11.490 -2.008 1.00 75.42 N flip ATOM 0 H GLN A 80 2.916 -15.520 -0.144 1.00 74.14 H new ATOM 0 HA GLN A 80 1.990 -14.185 2.390 1.00 71.11 H new ATOM 0 HB2 GLN A 80 0.423 -14.670 -0.175 1.00 34.13 H new ATOM 0 HB3 GLN A 80 0.272 -13.335 0.950 1.00 34.13 H new ATOM 0 HG2 GLN A 80 2.335 -12.314 0.169 1.00 14.34 H new ATOM 0 HG3 GLN A 80 2.799 -13.756 -0.712 1.00 14.34 H new ATOM 0 HE21 GLN A 80 1.931 -10.854 -1.496 1.00 75.42 H new ATOM 0 HE22 GLN A 80 0.812 -11.160 -2.829 1.00 75.42 H new ATOM 1312 N GLY A 81 0.612 -16.848 1.014 1.00 3.35 N ATOM 1313 CA GLY A 81 -0.182 -18.057 1.365 1.00 4.21 C ATOM 1314 C GLY A 81 -1.494 -18.050 0.576 1.00 33.14 C ATOM 1315 O GLY A 81 -2.288 -18.963 0.669 1.00 10.13 O ATOM 0 H GLY A 81 0.840 -16.751 0.024 1.00 3.35 H new ATOM 0 HA2 GLY A 81 0.387 -18.958 1.137 1.00 4.21 H new ATOM 0 HA3 GLY A 81 -0.388 -18.072 2.435 1.00 4.21 H new ATOM 1319 N TYR A 82 -1.727 -17.026 -0.200 1.00 62.20 N ATOM 1320 CA TYR A 82 -2.994 -16.967 -0.995 1.00 33.43 C ATOM 1321 C TYR A 82 -2.774 -16.138 -2.262 1.00 22.20 C ATOM 1322 O TYR A 82 -1.976 -15.220 -2.285 1.00 44.20 O ATOM 1323 CB TYR A 82 -4.037 -16.284 -0.096 1.00 40.04 C ATOM 1324 CG TYR A 82 -3.733 -16.544 1.363 1.00 24.25 C ATOM 1325 CD1 TYR A 82 -2.773 -15.766 2.020 1.00 42.32 C ATOM 1326 CD2 TYR A 82 -4.407 -17.556 2.054 1.00 31.25 C ATOM 1327 CE1 TYR A 82 -2.486 -16.003 3.369 1.00 64.51 C ATOM 1328 CE2 TYR A 82 -4.122 -17.793 3.403 1.00 61.31 C ATOM 1329 CZ TYR A 82 -3.161 -17.014 4.062 1.00 51.05 C ATOM 1330 OH TYR A 82 -2.879 -17.246 5.392 1.00 31.23 O ATOM 0 H TYR A 82 -1.100 -16.230 -0.320 1.00 62.20 H new ATOM 0 HA TYR A 82 -3.321 -17.962 -1.297 1.00 33.43 H new ATOM 0 HB2 TYR A 82 -4.042 -15.211 -0.286 1.00 40.04 H new ATOM 0 HB3 TYR A 82 -5.033 -16.656 -0.338 1.00 40.04 H new ATOM 0 HD1 TYR A 82 -2.254 -14.983 1.486 1.00 42.32 H new ATOM 0 HD2 TYR A 82 -5.148 -18.155 1.546 1.00 31.25 H new ATOM 0 HE1 TYR A 82 -1.743 -15.405 3.876 1.00 64.51 H new ATOM 0 HE2 TYR A 82 -4.642 -18.575 3.936 1.00 61.31 H new ATOM 0 HH TYR A 82 -3.437 -17.981 5.721 1.00 31.23 H new ATOM 1340 N TYR A 83 -3.478 -16.449 -3.314 1.00 72.44 N ATOM 1341 CA TYR A 83 -3.307 -15.671 -4.575 1.00 41.14 C ATOM 1342 C TYR A 83 -4.642 -15.562 -5.316 1.00 50.25 C ATOM 1343 O TYR A 83 -5.250 -16.552 -5.670 1.00 63.50 O ATOM 1344 CB TYR A 83 -2.298 -16.466 -5.401 1.00 0.22 C ATOM 1345 CG TYR A 83 -2.173 -15.847 -6.773 1.00 33.34 C ATOM 1346 CD1 TYR A 83 -3.208 -15.992 -7.704 1.00 72.41 C ATOM 1347 CD2 TYR A 83 -1.022 -15.127 -7.113 1.00 75.32 C ATOM 1348 CE1 TYR A 83 -3.092 -15.418 -8.974 1.00 20.00 C ATOM 1349 CE2 TYR A 83 -0.905 -14.552 -8.383 1.00 5.14 C ATOM 1350 CZ TYR A 83 -1.940 -14.697 -9.315 1.00 64.30 C ATOM 1351 OH TYR A 83 -1.826 -14.129 -10.568 1.00 20.42 O ATOM 0 H TYR A 83 -4.162 -17.205 -3.357 1.00 72.44 H new ATOM 0 HA TYR A 83 -2.965 -14.653 -4.387 1.00 41.14 H new ATOM 0 HB2 TYR A 83 -1.328 -16.472 -4.903 1.00 0.22 H new ATOM 0 HB3 TYR A 83 -2.619 -17.504 -5.486 1.00 0.22 H new ATOM 0 HD1 TYR A 83 -4.096 -16.547 -7.442 1.00 72.41 H new ATOM 0 HD2 TYR A 83 -0.224 -15.015 -6.394 1.00 75.32 H new ATOM 0 HE1 TYR A 83 -3.891 -15.531 -9.692 1.00 20.00 H new ATOM 0 HE2 TYR A 83 -0.017 -13.996 -8.645 1.00 5.14 H new ATOM 0 HH TYR A 83 -0.966 -13.664 -10.639 1.00 20.42 H new ATOM 1361 N LEU A 84 -5.098 -14.365 -5.557 1.00 74.51 N ATOM 1362 CA LEU A 84 -6.391 -14.187 -6.279 1.00 55.24 C ATOM 1363 C LEU A 84 -6.128 -13.810 -7.737 1.00 31.20 C ATOM 1364 O LEU A 84 -5.356 -12.916 -8.027 1.00 50.35 O ATOM 1365 CB LEU A 84 -7.103 -13.050 -5.550 1.00 71.31 C ATOM 1366 CG LEU A 84 -8.399 -12.702 -6.282 1.00 51.51 C ATOM 1367 CD1 LEU A 84 -9.288 -13.944 -6.368 1.00 52.11 C ATOM 1368 CD2 LEU A 84 -9.134 -11.602 -5.513 1.00 5.20 C ATOM 0 H LEU A 84 -4.631 -13.500 -5.285 1.00 74.51 H new ATOM 0 HA LEU A 84 -6.989 -15.098 -6.287 1.00 55.24 H new ATOM 0 HB2 LEU A 84 -7.321 -13.344 -4.523 1.00 71.31 H new ATOM 0 HB3 LEU A 84 -6.455 -12.175 -5.500 1.00 71.31 H new ATOM 0 HG LEU A 84 -8.167 -12.353 -7.288 1.00 51.51 H new ATOM 0 HD11 LEU A 84 -10.212 -13.695 -6.890 1.00 52.11 H new ATOM 0 HD12 LEU A 84 -8.764 -14.730 -6.913 1.00 52.11 H new ATOM 0 HD13 LEU A 84 -9.522 -14.294 -5.363 1.00 52.11 H new ATOM 0 HD21 LEU A 84 -10.059 -11.351 -6.032 1.00 5.20 H new ATOM 0 HD22 LEU A 84 -9.366 -11.954 -4.508 1.00 5.20 H new ATOM 0 HD23 LEU A 84 -8.501 -10.717 -5.451 1.00 5.20 H new ATOM 1380 N GLN A 85 -6.759 -14.483 -8.658 1.00 74.22 N ATOM 1381 CA GLN A 85 -6.536 -14.156 -10.092 1.00 21.31 C ATOM 1382 C GLN A 85 -7.734 -13.384 -10.658 1.00 62.00 C ATOM 1383 O GLN A 85 -8.873 -13.775 -10.494 1.00 62.11 O ATOM 1384 CB GLN A 85 -6.364 -15.514 -10.789 1.00 33.43 C ATOM 1385 CG GLN A 85 -7.731 -16.097 -11.166 1.00 52.01 C ATOM 1386 CD GLN A 85 -8.191 -15.539 -12.516 1.00 5.33 C ATOM 1387 OE1 GLN A 85 -7.545 -14.546 -13.070 1.00 61.23 O flip ATOM 1388 NE2 GLN A 85 -9.159 -16.012 -13.079 1.00 12.42 N flip ATOM 0 H GLN A 85 -7.417 -15.242 -8.480 1.00 74.22 H new ATOM 0 HA GLN A 85 -5.665 -13.518 -10.242 1.00 21.31 H new ATOM 0 HB2 GLN A 85 -5.752 -15.396 -11.683 1.00 33.43 H new ATOM 0 HB3 GLN A 85 -5.836 -16.204 -10.131 1.00 33.43 H new ATOM 0 HG2 GLN A 85 -7.669 -17.184 -11.216 1.00 52.01 H new ATOM 0 HG3 GLN A 85 -8.463 -15.854 -10.396 1.00 52.01 H new ATOM 0 HE21 GLN A 85 -9.668 -16.787 -12.654 1.00 12.42 H new ATOM 0 HE22 GLN A 85 -9.462 -15.634 -13.977 1.00 12.42 H new ATOM 1397 N LEU A 86 -7.476 -12.294 -11.329 1.00 71.24 N ATOM 1398 CA LEU A 86 -8.586 -11.488 -11.919 1.00 41.42 C ATOM 1399 C LEU A 86 -8.265 -11.155 -13.379 1.00 32.13 C ATOM 1400 O LEU A 86 -7.280 -10.503 -13.660 1.00 24.10 O ATOM 1401 CB LEU A 86 -8.639 -10.213 -11.078 1.00 42.04 C ATOM 1402 CG LEU A 86 -10.022 -10.085 -10.433 1.00 32.53 C ATOM 1403 CD1 LEU A 86 -11.096 -10.106 -11.521 1.00 30.14 C ATOM 1404 CD2 LEU A 86 -10.244 -11.256 -9.476 1.00 61.23 C ATOM 0 H LEU A 86 -6.540 -11.925 -11.495 1.00 71.24 H new ATOM 0 HA LEU A 86 -9.538 -12.019 -11.911 1.00 41.42 H new ATOM 0 HB2 LEU A 86 -7.868 -10.240 -10.308 1.00 42.04 H new ATOM 0 HB3 LEU A 86 -8.435 -9.343 -11.703 1.00 42.04 H new ATOM 0 HG LEU A 86 -10.082 -9.146 -9.882 1.00 32.53 H new ATOM 0 HD11 LEU A 86 -12.081 -10.015 -11.062 1.00 30.14 H new ATOM 0 HD12 LEU A 86 -10.936 -9.273 -12.206 1.00 30.14 H new ATOM 0 HD13 LEU A 86 -11.038 -11.045 -12.072 1.00 30.14 H new ATOM 0 HD21 LEU A 86 -11.228 -11.168 -9.015 1.00 61.23 H new ATOM 0 HD22 LEU A 86 -10.185 -12.194 -10.029 1.00 61.23 H new ATOM 0 HD23 LEU A 86 -9.478 -11.243 -8.701 1.00 61.23 H new