USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=21 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 180:sc= 0 USER MOD Set 1.2: A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot -170:sc= -0.943 USER MOD Single : A 19 TYR OH : rot 130:sc= -5.78! USER MOD Single : A 21 SER OG : rot -54:sc= 1.9 USER MOD Single : A 22 SER OG : rot 180:sc= -0.253 USER MOD Single : A 23 LYS NZ :NH3+ -136:sc= -1.27 (180deg=-4.36!) USER MOD Single : A 26 GLN : amide:sc= -0.107 X(o=-0.11,f=0) USER MOD Single : A 27 THR OG1 : rot -171:sc= -5.92! USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= -0.551 USER MOD Single : A 33 LYS NZ :NH3+ 142:sc= 0.729 (180deg=0.149) USER MOD Single : A 34 LYS NZ :NH3+ 167:sc= -1.18 (180deg=-1.88!) USER MOD Single : A 45 MET CE :methyl 149:sc= -5.2! (180deg=-7.38!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN :FLIP amide:sc= -2.8! C(o=-4.6!,f=-2.8!) USER MOD Single : A 52 GLN : amide:sc= 0.113 K(o=0.11,f=-1.6) USER MOD Single : A 55 MET CE :methyl -162:sc= -0.034 (180deg=-0.0805) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 72 LYS NZ :NH3+ -153:sc= -0.449 (180deg=-2.54!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN :FLIP amide:sc= -7.33! C(o=-11!,f=-7.3!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN :FLIP amide:sc= -0.0279 F(o=-0.82,f=-0.028) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN :FLIP amide:sc= -4.6! C(o=-6.1!,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 214 N PHE A 15 0.795 -28.708 -3.735 1.00 13.25 N ATOM 215 CA PHE A 15 -0.632 -28.788 -4.154 1.00 4.01 C ATOM 216 C PHE A 15 -1.323 -27.439 -3.919 1.00 43.14 C ATOM 217 O PHE A 15 -1.037 -26.740 -2.966 1.00 45.42 O ATOM 218 CB PHE A 15 -1.234 -29.882 -3.263 1.00 12.31 C ATOM 219 CG PHE A 15 -2.726 -29.685 -3.132 1.00 32.41 C ATOM 220 CD1 PHE A 15 -3.232 -28.794 -2.179 1.00 44.11 C ATOM 221 CD2 PHE A 15 -3.601 -30.391 -3.964 1.00 62.15 C ATOM 222 CE1 PHE A 15 -4.614 -28.611 -2.059 1.00 44.32 C ATOM 223 CE2 PHE A 15 -4.984 -30.205 -3.844 1.00 53.23 C ATOM 224 CZ PHE A 15 -5.489 -29.316 -2.889 1.00 12.33 C ATOM 0 HA PHE A 15 -0.752 -29.017 -5.213 1.00 4.01 H new ATOM 0 HB2 PHE A 15 -1.025 -30.864 -3.688 1.00 12.31 H new ATOM 0 HB3 PHE A 15 -0.768 -29.856 -2.278 1.00 12.31 H new ATOM 0 HD1 PHE A 15 -2.557 -28.248 -1.537 1.00 44.11 H new ATOM 0 HD2 PHE A 15 -3.210 -31.079 -4.699 1.00 62.15 H new ATOM 0 HE1 PHE A 15 -5.005 -27.924 -1.323 1.00 44.32 H new ATOM 0 HE2 PHE A 15 -5.660 -30.747 -4.488 1.00 53.23 H new ATOM 0 HZ PHE A 15 -6.555 -29.175 -2.793 1.00 12.33 H new ATOM 234 N CYS A 16 -2.233 -27.070 -4.780 1.00 13.02 N ATOM 235 CA CYS A 16 -2.945 -25.770 -4.606 1.00 11.41 C ATOM 236 C CYS A 16 -4.439 -25.941 -4.898 1.00 40.34 C ATOM 237 O CYS A 16 -4.846 -26.868 -5.569 1.00 41.50 O ATOM 238 CB CYS A 16 -2.305 -24.830 -5.630 1.00 23.30 C ATOM 239 SG CYS A 16 -0.503 -24.901 -5.474 1.00 23.54 S ATOM 0 H CYS A 16 -2.515 -27.612 -5.597 1.00 13.02 H new ATOM 0 HA CYS A 16 -2.862 -25.386 -3.589 1.00 11.41 H new ATOM 0 HB2 CYS A 16 -2.605 -25.116 -6.638 1.00 23.30 H new ATOM 0 HB3 CYS A 16 -2.654 -23.810 -5.471 1.00 23.30 H new ATOM 0 HG CYS A 16 0.032 -23.957 -6.190 1.00 23.54 H new ATOM 245 N VAL A 17 -5.258 -25.055 -4.398 1.00 41.35 N ATOM 246 CA VAL A 17 -6.724 -25.175 -4.652 1.00 32.21 C ATOM 247 C VAL A 17 -7.239 -23.925 -5.375 1.00 10.32 C ATOM 248 O VAL A 17 -6.997 -22.811 -4.958 1.00 25.32 O ATOM 249 CB VAL A 17 -7.371 -25.292 -3.271 1.00 2.30 C ATOM 250 CG1 VAL A 17 -8.760 -25.919 -3.414 1.00 21.21 C ATOM 251 CG2 VAL A 17 -6.509 -26.177 -2.364 1.00 30.12 C ATOM 0 H VAL A 17 -4.978 -24.257 -3.828 1.00 41.35 H new ATOM 0 HA VAL A 17 -6.958 -26.033 -5.282 1.00 32.21 H new ATOM 0 HB VAL A 17 -7.456 -24.299 -2.830 1.00 2.30 H new ATOM 0 HG11 VAL A 17 -9.224 -26.004 -2.431 1.00 21.21 H new ATOM 0 HG12 VAL A 17 -9.379 -25.290 -4.054 1.00 21.21 H new ATOM 0 HG13 VAL A 17 -8.668 -26.910 -3.858 1.00 21.21 H new ATOM 0 HG21 VAL A 17 -6.976 -26.256 -1.382 1.00 30.12 H new ATOM 0 HG22 VAL A 17 -6.419 -27.170 -2.804 1.00 30.12 H new ATOM 0 HG23 VAL A 17 -5.518 -25.735 -2.260 1.00 30.12 H new ATOM 261 N ILE A 18 -7.955 -24.105 -6.452 1.00 41.22 N ATOM 262 CA ILE A 18 -8.490 -22.930 -7.199 1.00 41.35 C ATOM 263 C ILE A 18 -9.955 -22.684 -6.824 1.00 71.14 C ATOM 264 O ILE A 18 -10.832 -23.452 -7.164 1.00 42.24 O ATOM 265 CB ILE A 18 -8.378 -23.313 -8.677 1.00 14.22 C ATOM 266 CG1 ILE A 18 -6.913 -23.228 -9.118 1.00 60.51 C ATOM 267 CG2 ILE A 18 -9.214 -22.351 -9.521 1.00 65.45 C ATOM 268 CD1 ILE A 18 -6.371 -24.638 -9.359 1.00 5.14 C ATOM 0 H ILE A 18 -8.193 -25.015 -6.847 1.00 41.22 H new ATOM 0 HA ILE A 18 -7.943 -22.015 -6.970 1.00 41.35 H new ATOM 0 HB ILE A 18 -8.744 -24.331 -8.814 1.00 14.22 H new ATOM 0 HG12 ILE A 18 -6.830 -22.634 -10.028 1.00 60.51 H new ATOM 0 HG13 ILE A 18 -6.321 -22.725 -8.354 1.00 60.51 H new ATOM 0 HG21 ILE A 18 -9.133 -22.625 -10.573 1.00 65.45 H new ATOM 0 HG22 ILE A 18 -10.257 -22.407 -9.211 1.00 65.45 H new ATOM 0 HG23 ILE A 18 -8.849 -21.334 -9.382 1.00 65.45 H new ATOM 0 HD11 ILE A 18 -5.329 -24.578 -9.673 1.00 5.14 H new ATOM 0 HD12 ILE A 18 -6.440 -25.217 -8.438 1.00 5.14 H new ATOM 0 HD13 ILE A 18 -6.957 -25.125 -10.138 1.00 5.14 H new ATOM 280 N TYR A 19 -10.224 -21.615 -6.124 1.00 13.31 N ATOM 281 CA TYR A 19 -11.630 -21.314 -5.725 1.00 0.32 C ATOM 282 C TYR A 19 -12.312 -20.457 -6.793 1.00 22.42 C ATOM 283 O TYR A 19 -11.668 -19.726 -7.518 1.00 41.13 O ATOM 284 CB TYR A 19 -11.511 -20.517 -4.425 1.00 30.11 C ATOM 285 CG TYR A 19 -11.213 -21.447 -3.272 1.00 33.43 C ATOM 286 CD1 TYR A 19 -9.911 -21.919 -3.071 1.00 71.12 C ATOM 287 CD2 TYR A 19 -12.240 -21.827 -2.399 1.00 24.43 C ATOM 288 CE1 TYR A 19 -9.636 -22.772 -1.996 1.00 14.40 C ATOM 289 CE2 TYR A 19 -11.962 -22.677 -1.322 1.00 3.42 C ATOM 290 CZ TYR A 19 -10.661 -23.151 -1.122 1.00 4.13 C ATOM 291 OH TYR A 19 -10.387 -23.988 -0.061 1.00 3.32 O ATOM 0 H TYR A 19 -9.530 -20.936 -5.811 1.00 13.31 H new ATOM 0 HA TYR A 19 -12.222 -22.221 -5.606 1.00 0.32 H new ATOM 0 HB2 TYR A 19 -10.720 -19.773 -4.516 1.00 30.11 H new ATOM 0 HB3 TYR A 19 -12.438 -19.975 -4.235 1.00 30.11 H new ATOM 0 HD1 TYR A 19 -9.119 -21.625 -3.745 1.00 71.12 H new ATOM 0 HD2 TYR A 19 -13.245 -21.465 -2.556 1.00 24.43 H new ATOM 0 HE1 TYR A 19 -8.632 -23.138 -1.841 1.00 14.40 H new ATOM 0 HE2 TYR A 19 -12.752 -22.967 -0.645 1.00 3.42 H new ATOM 0 HH TYR A 19 -10.752 -23.602 0.763 1.00 3.32 H new ATOM 301 N ARG A 20 -13.612 -20.523 -6.882 1.00 73.32 N ATOM 302 CA ARG A 20 -14.326 -19.689 -7.890 1.00 24.20 C ATOM 303 C ARG A 20 -15.424 -18.874 -7.200 1.00 55.31 C ATOM 304 O ARG A 20 -16.114 -19.356 -6.322 1.00 2.32 O ATOM 305 CB ARG A 20 -14.918 -20.676 -8.904 1.00 60.45 C ATOM 306 CG ARG A 20 -15.999 -21.536 -8.246 1.00 41.51 C ATOM 307 CD ARG A 20 -16.943 -22.075 -9.325 1.00 63.41 C ATOM 308 NE ARG A 20 -18.288 -22.104 -8.685 1.00 35.13 N ATOM 309 CZ ARG A 20 -19.202 -21.244 -9.044 1.00 43.24 C ATOM 310 NH1 ARG A 20 -19.119 -20.002 -8.653 1.00 20.52 N ATOM 311 NH2 ARG A 20 -20.199 -21.625 -9.796 1.00 13.54 N ATOM 0 H ARG A 20 -14.208 -21.115 -6.304 1.00 73.32 H new ATOM 0 HA ARG A 20 -13.664 -18.977 -8.384 1.00 24.20 H new ATOM 0 HB2 ARG A 20 -15.342 -20.130 -9.747 1.00 60.45 H new ATOM 0 HB3 ARG A 20 -14.129 -21.314 -9.302 1.00 60.45 H new ATOM 0 HG2 ARG A 20 -15.541 -22.362 -7.701 1.00 41.51 H new ATOM 0 HG3 ARG A 20 -16.558 -20.946 -7.520 1.00 41.51 H new ATOM 0 HD2 ARG A 20 -16.940 -21.435 -10.207 1.00 63.41 H new ATOM 0 HD3 ARG A 20 -16.641 -23.070 -9.652 1.00 63.41 H new ATOM 0 HE ARG A 20 -18.495 -22.797 -7.965 1.00 35.13 H new ATOM 0 HH11 ARG A 20 -18.340 -19.703 -8.067 1.00 20.52 H new ATOM 0 HH12 ARG A 20 -19.833 -19.330 -8.934 1.00 20.52 H new ATOM 0 HH21 ARG A 20 -20.264 -22.595 -10.103 1.00 13.54 H new ATOM 0 HH22 ARG A 20 -20.913 -20.952 -10.076 1.00 13.54 H new ATOM 325 N SER A 21 -15.584 -17.637 -7.575 1.00 33.11 N ATOM 326 CA SER A 21 -16.631 -16.793 -6.929 1.00 33.13 C ATOM 327 C SER A 21 -18.025 -17.263 -7.349 1.00 22.42 C ATOM 328 O SER A 21 -18.269 -17.564 -8.501 1.00 24.40 O ATOM 329 CB SER A 21 -16.367 -15.377 -7.436 1.00 74.34 C ATOM 330 OG SER A 21 -15.097 -14.942 -6.969 1.00 22.42 O ATOM 0 H SER A 21 -15.037 -17.172 -8.300 1.00 33.11 H new ATOM 0 HA SER A 21 -16.593 -16.850 -5.841 1.00 33.13 H new ATOM 0 HB2 SER A 21 -16.393 -15.357 -8.526 1.00 74.34 H new ATOM 0 HB3 SER A 21 -17.147 -14.701 -7.086 1.00 74.34 H new ATOM 0 HG SER A 21 -15.057 -15.035 -5.994 1.00 22.42 H new ATOM 336 N SER A 22 -18.945 -17.326 -6.423 1.00 5.25 N ATOM 337 CA SER A 22 -20.324 -17.777 -6.771 1.00 13.15 C ATOM 338 C SER A 22 -20.895 -16.895 -7.885 1.00 3.22 C ATOM 339 O SER A 22 -21.611 -17.357 -8.753 1.00 11.21 O ATOM 340 CB SER A 22 -21.131 -17.605 -5.484 1.00 32.03 C ATOM 341 OG SER A 22 -22.485 -17.963 -5.729 1.00 43.03 O ATOM 0 H SER A 22 -18.801 -17.085 -5.442 1.00 5.25 H new ATOM 0 HA SER A 22 -20.348 -18.805 -7.132 1.00 13.15 H new ATOM 0 HB2 SER A 22 -20.715 -18.229 -4.694 1.00 32.03 H new ATOM 0 HB3 SER A 22 -21.072 -16.573 -5.139 1.00 32.03 H new ATOM 0 HG SER A 22 -23.006 -17.856 -4.906 1.00 43.03 H new ATOM 347 N LYS A 23 -20.578 -15.631 -7.866 1.00 53.22 N ATOM 348 CA LYS A 23 -21.093 -14.713 -8.922 1.00 64.33 C ATOM 349 C LYS A 23 -20.157 -13.511 -9.064 1.00 52.13 C ATOM 350 O LYS A 23 -20.259 -12.542 -8.338 1.00 75.34 O ATOM 351 CB LYS A 23 -22.469 -14.266 -8.423 1.00 55.32 C ATOM 352 CG LYS A 23 -22.345 -13.704 -7.007 1.00 74.34 C ATOM 353 CD LYS A 23 -23.128 -14.587 -6.033 1.00 1.42 C ATOM 354 CE LYS A 23 -22.874 -14.118 -4.599 1.00 71.51 C ATOM 355 NZ LYS A 23 -21.391 -14.106 -4.450 1.00 50.11 N ATOM 0 H LYS A 23 -19.983 -15.192 -7.163 1.00 53.22 H new ATOM 0 HA LYS A 23 -21.153 -15.192 -9.899 1.00 64.33 H new ATOM 0 HB2 LYS A 23 -22.880 -13.509 -9.091 1.00 55.32 H new ATOM 0 HB3 LYS A 23 -23.161 -15.108 -8.431 1.00 55.32 H new ATOM 0 HG2 LYS A 23 -21.296 -13.662 -6.712 1.00 74.34 H new ATOM 0 HG3 LYS A 23 -22.727 -12.683 -6.975 1.00 74.34 H new ATOM 0 HD2 LYS A 23 -24.193 -14.539 -6.259 1.00 1.42 H new ATOM 0 HD3 LYS A 23 -22.825 -15.628 -6.145 1.00 1.42 H new ATOM 0 HE2 LYS A 23 -23.295 -13.127 -4.428 1.00 71.51 H new ATOM 0 HE3 LYS A 23 -23.337 -14.790 -3.877 1.00 71.51 H new ATOM 0 HZ1 LYS A 23 -21.131 -14.527 -3.535 1.00 50.11 H new ATOM 0 HZ2 LYS A 23 -20.960 -14.657 -5.220 1.00 50.11 H new ATOM 0 HZ3 LYS A 23 -21.046 -13.126 -4.491 1.00 50.11 H new ATOM 369 N ARG A 24 -19.238 -13.570 -9.989 1.00 5.43 N ATOM 370 CA ARG A 24 -18.291 -12.434 -10.171 1.00 43.03 C ATOM 371 C ARG A 24 -17.745 -12.418 -11.600 1.00 62.01 C ATOM 372 O ARG A 24 -18.264 -13.078 -12.480 1.00 73.34 O ATOM 373 CB ARG A 24 -17.165 -12.704 -9.174 1.00 62.23 C ATOM 374 CG ARG A 24 -17.233 -11.685 -8.036 1.00 42.54 C ATOM 375 CD ARG A 24 -17.020 -10.280 -8.600 1.00 4.21 C ATOM 376 NE ARG A 24 -17.936 -9.406 -7.817 1.00 65.12 N ATOM 377 CZ ARG A 24 -18.986 -8.886 -8.388 1.00 4.30 C ATOM 378 NH1 ARG A 24 -18.853 -7.863 -9.188 1.00 60.30 N ATOM 379 NH2 ARG A 24 -20.168 -9.388 -8.163 1.00 42.53 N ATOM 0 H ARG A 24 -19.102 -14.355 -10.626 1.00 5.43 H new ATOM 0 HA ARG A 24 -18.768 -11.468 -10.005 1.00 43.03 H new ATOM 0 HB2 ARG A 24 -17.252 -13.715 -8.776 1.00 62.23 H new ATOM 0 HB3 ARG A 24 -16.199 -12.641 -9.675 1.00 62.23 H new ATOM 0 HG2 ARG A 24 -18.200 -11.746 -7.536 1.00 42.54 H new ATOM 0 HG3 ARG A 24 -16.472 -11.908 -7.288 1.00 42.54 H new ATOM 0 HD2 ARG A 24 -15.983 -9.964 -8.489 1.00 4.21 H new ATOM 0 HD3 ARG A 24 -17.253 -10.243 -9.664 1.00 4.21 H new ATOM 0 HE ARG A 24 -17.742 -9.214 -6.834 1.00 65.12 H new ATOM 0 HH11 ARG A 24 -17.928 -7.471 -9.366 1.00 60.30 H new ATOM 0 HH12 ARG A 24 -19.674 -7.455 -9.635 1.00 60.30 H new ATOM 0 HH21 ARG A 24 -20.272 -10.189 -7.540 1.00 42.53 H new ATOM 0 HH22 ARG A 24 -20.989 -8.980 -8.610 1.00 42.53 H new ATOM 393 N ASP A 25 -16.703 -11.672 -11.838 1.00 74.43 N ATOM 394 CA ASP A 25 -16.122 -11.613 -13.210 1.00 24.31 C ATOM 395 C ASP A 25 -15.043 -12.686 -13.374 1.00 52.41 C ATOM 396 O ASP A 25 -13.881 -12.386 -13.567 1.00 1.20 O ATOM 397 CB ASP A 25 -15.512 -10.217 -13.322 1.00 54.13 C ATOM 398 CG ASP A 25 -16.517 -9.271 -13.978 1.00 61.15 C ATOM 399 OD1 ASP A 25 -16.793 -9.455 -15.153 1.00 71.13 O ATOM 400 OD2 ASP A 25 -16.994 -8.379 -13.297 1.00 31.01 O ATOM 0 H ASP A 25 -16.227 -11.099 -11.141 1.00 74.43 H new ATOM 0 HA ASP A 25 -16.869 -11.794 -13.983 1.00 24.31 H new ATOM 0 HB2 ASP A 25 -15.241 -9.847 -12.333 1.00 54.13 H new ATOM 0 HB3 ASP A 25 -14.595 -10.256 -13.911 1.00 54.13 H new ATOM 405 N GLN A 26 -15.417 -13.934 -13.301 1.00 13.25 N ATOM 406 CA GLN A 26 -14.408 -15.024 -13.457 1.00 12.15 C ATOM 407 C GLN A 26 -13.273 -14.846 -12.444 1.00 1.31 C ATOM 408 O GLN A 26 -12.111 -14.999 -12.768 1.00 43.33 O ATOM 409 CB GLN A 26 -13.882 -14.873 -14.883 1.00 72.12 C ATOM 410 CG GLN A 26 -15.028 -15.076 -15.875 1.00 62.53 C ATOM 411 CD GLN A 26 -15.150 -13.843 -16.770 1.00 23.40 C ATOM 412 OE1 GLN A 26 -16.216 -13.271 -16.896 1.00 33.12 O ATOM 413 NE2 GLN A 26 -14.096 -13.405 -17.402 1.00 43.14 N ATOM 0 H GLN A 26 -16.374 -14.247 -13.141 1.00 13.25 H new ATOM 0 HA GLN A 26 -14.836 -16.011 -13.282 1.00 12.15 H new ATOM 0 HB2 GLN A 26 -13.442 -13.885 -15.017 1.00 72.12 H new ATOM 0 HB3 GLN A 26 -13.093 -15.601 -15.069 1.00 72.12 H new ATOM 0 HG2 GLN A 26 -14.845 -15.963 -16.482 1.00 62.53 H new ATOM 0 HG3 GLN A 26 -15.962 -15.244 -15.339 1.00 62.53 H new ATOM 0 HE21 GLN A 26 -13.202 -13.885 -17.296 1.00 43.14 H new ATOM 0 HE22 GLN A 26 -14.166 -12.583 -18.002 1.00 43.14 H new ATOM 422 N THR A 27 -13.599 -14.528 -11.222 1.00 21.25 N ATOM 423 CA THR A 27 -12.540 -14.345 -10.190 1.00 3.30 C ATOM 424 C THR A 27 -12.238 -15.681 -9.509 1.00 2.32 C ATOM 425 O THR A 27 -13.133 -16.389 -9.086 1.00 70.03 O ATOM 426 CB THR A 27 -13.130 -13.354 -9.185 1.00 32.43 C ATOM 427 OG1 THR A 27 -13.196 -12.065 -9.779 1.00 42.24 O ATOM 428 CG2 THR A 27 -12.244 -13.300 -7.940 1.00 40.41 C ATOM 0 H THR A 27 -14.554 -14.387 -10.893 1.00 21.25 H new ATOM 0 HA THR A 27 -11.605 -13.982 -10.616 1.00 3.30 H new ATOM 0 HB THR A 27 -14.132 -13.675 -8.901 1.00 32.43 H new ATOM 0 HG1 THR A 27 -13.438 -11.403 -9.098 1.00 42.24 H new ATOM 0 HG21 THR A 27 -12.665 -12.594 -7.224 1.00 40.41 H new ATOM 0 HG22 THR A 27 -12.193 -14.290 -7.486 1.00 40.41 H new ATOM 0 HG23 THR A 27 -11.241 -12.978 -8.221 1.00 40.41 H new ATOM 436 N TYR A 28 -10.987 -16.036 -9.401 1.00 40.34 N ATOM 437 CA TYR A 28 -10.636 -17.330 -8.748 1.00 71.23 C ATOM 438 C TYR A 28 -9.555 -17.113 -7.685 1.00 0.32 C ATOM 439 O TYR A 28 -8.671 -16.294 -7.843 1.00 10.24 O ATOM 440 CB TYR A 28 -10.109 -18.212 -9.879 1.00 22.04 C ATOM 441 CG TYR A 28 -11.261 -18.693 -10.726 1.00 51.41 C ATOM 442 CD1 TYR A 28 -11.940 -17.797 -11.560 1.00 21.02 C ATOM 443 CD2 TYR A 28 -11.652 -20.037 -10.680 1.00 15.13 C ATOM 444 CE1 TYR A 28 -13.008 -18.244 -12.347 1.00 20.13 C ATOM 445 CE2 TYR A 28 -12.719 -20.484 -11.467 1.00 24.24 C ATOM 446 CZ TYR A 28 -13.399 -19.588 -12.301 1.00 73.43 C ATOM 447 OH TYR A 28 -14.451 -20.029 -13.076 1.00 33.10 O ATOM 0 H TYR A 28 -10.194 -15.488 -9.735 1.00 40.34 H new ATOM 0 HA TYR A 28 -11.489 -17.782 -8.242 1.00 71.23 H new ATOM 0 HB2 TYR A 28 -9.403 -17.651 -10.492 1.00 22.04 H new ATOM 0 HB3 TYR A 28 -9.567 -19.063 -9.467 1.00 22.04 H new ATOM 0 HD1 TYR A 28 -11.640 -16.760 -11.596 1.00 21.02 H new ATOM 0 HD2 TYR A 28 -11.129 -20.729 -10.036 1.00 15.13 H new ATOM 0 HE1 TYR A 28 -13.531 -17.552 -12.990 1.00 20.13 H new ATOM 0 HE2 TYR A 28 -13.018 -21.521 -11.431 1.00 24.24 H new ATOM 0 HH TYR A 28 -14.589 -20.987 -12.925 1.00 33.10 H new ATOM 457 N LEU A 29 -9.618 -17.845 -6.608 1.00 50.51 N ATOM 458 CA LEU A 29 -8.593 -17.689 -5.537 1.00 32.02 C ATOM 459 C LEU A 29 -7.661 -18.904 -5.528 1.00 32.42 C ATOM 460 O LEU A 29 -8.033 -19.985 -5.939 1.00 21.54 O ATOM 461 CB LEU A 29 -9.389 -17.610 -4.232 1.00 31.33 C ATOM 462 CG LEU A 29 -9.298 -16.192 -3.665 1.00 0.02 C ATOM 463 CD1 LEU A 29 -9.981 -16.143 -2.297 1.00 45.43 C ATOM 464 CD2 LEU A 29 -7.827 -15.798 -3.515 1.00 45.13 C ATOM 0 H LEU A 29 -10.336 -18.546 -6.422 1.00 50.51 H new ATOM 0 HA LEU A 29 -7.969 -16.807 -5.683 1.00 32.02 H new ATOM 0 HB2 LEU A 29 -10.431 -17.875 -4.412 1.00 31.33 H new ATOM 0 HB3 LEU A 29 -8.998 -18.328 -3.511 1.00 31.33 H new ATOM 0 HG LEU A 29 -9.794 -15.497 -4.343 1.00 0.02 H new ATOM 0 HD11 LEU A 29 -9.916 -15.132 -1.894 1.00 45.43 H new ATOM 0 HD12 LEU A 29 -11.029 -16.424 -2.403 1.00 45.43 H new ATOM 0 HD13 LEU A 29 -9.486 -16.837 -1.618 1.00 45.43 H new ATOM 0 HD21 LEU A 29 -7.760 -14.788 -3.111 1.00 45.13 H new ATOM 0 HD22 LEU A 29 -7.331 -16.493 -2.837 1.00 45.13 H new ATOM 0 HD23 LEU A 29 -7.340 -15.832 -4.490 1.00 45.13 H new ATOM 476 N TYR A 30 -6.450 -18.737 -5.069 1.00 1.32 N ATOM 477 CA TYR A 30 -5.501 -19.887 -5.043 1.00 73.03 C ATOM 478 C TYR A 30 -4.881 -20.034 -3.648 1.00 74.30 C ATOM 479 O TYR A 30 -4.528 -19.062 -3.010 1.00 53.31 O ATOM 480 CB TYR A 30 -4.429 -19.536 -6.073 1.00 11.44 C ATOM 481 CG TYR A 30 -5.040 -19.541 -7.456 1.00 12.21 C ATOM 482 CD1 TYR A 30 -5.926 -18.523 -7.830 1.00 23.11 C ATOM 483 CD2 TYR A 30 -4.718 -20.557 -8.362 1.00 74.23 C ATOM 484 CE1 TYR A 30 -6.492 -18.524 -9.110 1.00 23.41 C ATOM 485 CE2 TYR A 30 -5.285 -20.557 -9.645 1.00 41.12 C ATOM 486 CZ TYR A 30 -6.172 -19.541 -10.016 1.00 31.43 C ATOM 487 OH TYR A 30 -6.734 -19.540 -11.279 1.00 50.33 O ATOM 0 H TYR A 30 -6.078 -17.857 -4.712 1.00 1.32 H new ATOM 0 HA TYR A 30 -5.992 -20.833 -5.271 1.00 73.03 H new ATOM 0 HB2 TYR A 30 -4.006 -18.556 -5.854 1.00 11.44 H new ATOM 0 HB3 TYR A 30 -3.611 -20.255 -6.022 1.00 11.44 H new ATOM 0 HD1 TYR A 30 -6.172 -17.737 -7.131 1.00 23.11 H new ATOM 0 HD2 TYR A 30 -4.033 -21.341 -8.074 1.00 74.23 H new ATOM 0 HE1 TYR A 30 -7.176 -17.740 -9.398 1.00 23.41 H new ATOM 0 HE2 TYR A 30 -5.037 -21.341 -10.346 1.00 41.12 H new ATOM 0 HH TYR A 30 -6.407 -20.314 -11.783 1.00 50.33 H new ATOM 497 N VAL A 31 -4.744 -21.242 -3.176 1.00 24.25 N ATOM 498 CA VAL A 31 -4.146 -21.460 -1.822 1.00 33.32 C ATOM 499 C VAL A 31 -3.395 -22.790 -1.784 1.00 51.22 C ATOM 500 O VAL A 31 -3.686 -23.703 -2.533 1.00 25.33 O ATOM 501 CB VAL A 31 -5.323 -21.482 -0.832 1.00 34.32 C ATOM 502 CG1 VAL A 31 -5.534 -20.079 -0.267 1.00 74.40 C ATOM 503 CG2 VAL A 31 -6.607 -21.946 -1.532 1.00 44.12 C ATOM 0 H VAL A 31 -5.020 -22.092 -3.668 1.00 24.25 H new ATOM 0 HA VAL A 31 -3.432 -20.676 -1.571 1.00 33.32 H new ATOM 0 HB VAL A 31 -5.091 -22.178 -0.026 1.00 34.32 H new ATOM 0 HG11 VAL A 31 -6.368 -20.091 0.435 1.00 74.40 H new ATOM 0 HG12 VAL A 31 -4.630 -19.755 0.249 1.00 74.40 H new ATOM 0 HG13 VAL A 31 -5.755 -19.388 -1.081 1.00 74.40 H new ATOM 0 HG21 VAL A 31 -7.429 -21.955 -0.816 1.00 44.12 H new ATOM 0 HG22 VAL A 31 -6.844 -21.263 -2.348 1.00 44.12 H new ATOM 0 HG23 VAL A 31 -6.462 -22.950 -1.930 1.00 44.12 H new ATOM 513 N GLU A 32 -2.430 -22.911 -0.912 1.00 5.14 N ATOM 514 CA GLU A 32 -1.659 -24.184 -0.825 1.00 41.10 C ATOM 515 C GLU A 32 -2.556 -25.310 -0.301 1.00 13.51 C ATOM 516 O GLU A 32 -2.258 -26.476 -0.455 1.00 51.21 O ATOM 517 CB GLU A 32 -0.517 -23.900 0.154 1.00 12.14 C ATOM 518 CG GLU A 32 -1.081 -23.309 1.446 1.00 43.23 C ATOM 519 CD GLU A 32 -0.055 -23.478 2.572 1.00 31.14 C ATOM 520 OE1 GLU A 32 0.202 -24.609 2.946 1.00 23.15 O ATOM 521 OE2 GLU A 32 0.457 -22.471 3.035 1.00 12.45 O ATOM 0 H GLU A 32 -2.143 -22.184 -0.257 1.00 5.14 H new ATOM 0 HA GLU A 32 -1.284 -24.504 -1.797 1.00 41.10 H new ATOM 0 HB2 GLU A 32 0.027 -24.820 0.370 1.00 12.14 H new ATOM 0 HB3 GLU A 32 0.195 -23.207 -0.294 1.00 12.14 H new ATOM 0 HG2 GLU A 32 -1.313 -22.253 1.305 1.00 43.23 H new ATOM 0 HG3 GLU A 32 -2.013 -23.808 1.711 1.00 43.23 H new ATOM 528 N LYS A 33 -3.656 -24.969 0.314 1.00 55.31 N ATOM 529 CA LYS A 33 -4.573 -26.022 0.838 1.00 52.14 C ATOM 530 C LYS A 33 -5.968 -25.441 1.084 1.00 2.43 C ATOM 531 O LYS A 33 -6.172 -24.244 1.061 1.00 53.23 O ATOM 532 CB LYS A 33 -3.942 -26.485 2.151 1.00 54.00 C ATOM 533 CG LYS A 33 -3.961 -25.338 3.161 1.00 22.20 C ATOM 534 CD LYS A 33 -2.596 -25.230 3.840 1.00 2.22 C ATOM 535 CE LYS A 33 -2.315 -26.507 4.632 1.00 51.14 C ATOM 536 NZ LYS A 33 -1.001 -26.992 4.125 1.00 2.35 N ATOM 0 H LYS A 33 -3.959 -24.009 0.476 1.00 55.31 H new ATOM 0 HA LYS A 33 -4.696 -26.846 0.135 1.00 52.14 H new ATOM 0 HB2 LYS A 33 -4.489 -27.341 2.547 1.00 54.00 H new ATOM 0 HB3 LYS A 33 -2.917 -26.814 1.978 1.00 54.00 H new ATOM 0 HG2 LYS A 33 -4.204 -24.402 2.659 1.00 22.20 H new ATOM 0 HG3 LYS A 33 -4.737 -25.510 3.907 1.00 22.20 H new ATOM 0 HD2 LYS A 33 -1.818 -25.075 3.093 1.00 2.22 H new ATOM 0 HD3 LYS A 33 -2.576 -24.366 4.504 1.00 2.22 H new ATOM 0 HE2 LYS A 33 -2.276 -26.307 5.703 1.00 51.14 H new ATOM 0 HE3 LYS A 33 -3.097 -27.249 4.475 1.00 51.14 H new ATOM 0 HZ1 LYS A 33 -0.447 -27.381 4.914 1.00 2.35 H new ATOM 0 HZ2 LYS A 33 -1.156 -27.733 3.412 1.00 2.35 H new ATOM 0 HZ3 LYS A 33 -0.482 -26.201 3.694 1.00 2.35 H new ATOM 550 N LYS A 34 -6.929 -26.292 1.313 1.00 20.32 N ATOM 551 CA LYS A 34 -8.323 -25.816 1.554 1.00 52.04 C ATOM 552 C LYS A 34 -8.500 -25.386 3.015 1.00 12.31 C ATOM 553 O LYS A 34 -9.299 -25.949 3.736 1.00 64.14 O ATOM 554 CB LYS A 34 -9.199 -27.035 1.254 1.00 61.35 C ATOM 555 CG LYS A 34 -10.124 -26.732 0.074 1.00 71.22 C ATOM 556 CD LYS A 34 -11.509 -26.343 0.596 1.00 43.14 C ATOM 557 CE LYS A 34 -12.485 -27.502 0.377 1.00 50.33 C ATOM 558 NZ LYS A 34 -11.772 -28.707 0.888 1.00 70.01 N ATOM 0 H LYS A 34 -6.809 -27.304 1.344 1.00 20.32 H new ATOM 0 HA LYS A 34 -8.578 -24.953 0.939 1.00 52.04 H new ATOM 0 HB2 LYS A 34 -8.572 -27.897 1.024 1.00 61.35 H new ATOM 0 HB3 LYS A 34 -9.789 -27.295 2.133 1.00 61.35 H new ATOM 0 HG2 LYS A 34 -9.710 -25.923 -0.527 1.00 71.22 H new ATOM 0 HG3 LYS A 34 -10.200 -27.604 -0.575 1.00 71.22 H new ATOM 0 HD2 LYS A 34 -11.453 -26.097 1.656 1.00 43.14 H new ATOM 0 HD3 LYS A 34 -11.866 -25.451 0.080 1.00 43.14 H new ATOM 0 HE2 LYS A 34 -13.419 -27.338 0.914 1.00 50.33 H new ATOM 0 HE3 LYS A 34 -12.739 -27.611 -0.677 1.00 50.33 H new ATOM 0 HZ1 LYS A 34 -12.444 -29.496 0.978 1.00 70.01 H new ATOM 0 HZ2 LYS A 34 -11.016 -28.971 0.224 1.00 70.01 H new ATOM 0 HZ3 LYS A 34 -11.358 -28.497 1.818 1.00 70.01 H new ATOM 572 N ASP A 35 -7.768 -24.400 3.469 1.00 62.11 N ATOM 573 CA ASP A 35 -7.933 -23.980 4.895 1.00 53.24 C ATOM 574 C ASP A 35 -8.714 -22.664 5.009 1.00 2.22 C ATOM 575 O ASP A 35 -9.860 -22.654 5.411 1.00 11.34 O ATOM 576 CB ASP A 35 -6.513 -23.820 5.461 1.00 14.43 C ATOM 577 CG ASP A 35 -5.579 -23.204 4.415 1.00 14.20 C ATOM 578 OD1 ASP A 35 -6.078 -22.675 3.437 1.00 21.23 O ATOM 579 OD2 ASP A 35 -4.375 -23.267 4.615 1.00 43.52 O ATOM 0 H ASP A 35 -7.078 -23.878 2.929 1.00 62.11 H new ATOM 0 HA ASP A 35 -8.505 -24.722 5.452 1.00 53.24 H new ATOM 0 HB2 ASP A 35 -6.539 -23.189 6.349 1.00 14.43 H new ATOM 0 HB3 ASP A 35 -6.129 -24.791 5.772 1.00 14.43 H new ATOM 584 N ASP A 36 -8.116 -21.555 4.670 1.00 41.14 N ATOM 585 CA ASP A 36 -8.849 -20.260 4.780 1.00 71.03 C ATOM 586 C ASP A 36 -8.092 -19.135 4.067 1.00 63.32 C ATOM 587 O ASP A 36 -6.968 -19.296 3.636 1.00 2.22 O ATOM 588 CB ASP A 36 -8.932 -19.973 6.277 1.00 23.55 C ATOM 589 CG ASP A 36 -10.236 -20.546 6.837 1.00 4.43 C ATOM 590 OD1 ASP A 36 -11.150 -20.755 6.056 1.00 44.13 O ATOM 591 OD2 ASP A 36 -10.297 -20.768 8.034 1.00 55.21 O ATOM 0 H ASP A 36 -7.159 -21.488 4.324 1.00 41.14 H new ATOM 0 HA ASP A 36 -9.832 -20.318 4.314 1.00 71.03 H new ATOM 0 HB2 ASP A 36 -8.078 -20.415 6.790 1.00 23.55 H new ATOM 0 HB3 ASP A 36 -8.889 -18.898 6.455 1.00 23.55 H new ATOM 596 N PHE A 37 -8.706 -17.987 3.965 1.00 0.03 N ATOM 597 CA PHE A 37 -8.045 -16.823 3.306 1.00 33.11 C ATOM 598 C PHE A 37 -7.983 -15.651 4.294 1.00 3.24 C ATOM 599 O PHE A 37 -8.960 -14.965 4.518 1.00 5.22 O ATOM 600 CB PHE A 37 -8.952 -16.472 2.129 1.00 42.34 C ATOM 601 CG PHE A 37 -8.771 -17.484 1.026 1.00 13.23 C ATOM 602 CD1 PHE A 37 -9.540 -18.654 1.013 1.00 20.45 C ATOM 603 CD2 PHE A 37 -7.836 -17.251 0.010 1.00 54.13 C ATOM 604 CE1 PHE A 37 -9.373 -19.591 -0.011 1.00 12.32 C ATOM 605 CE2 PHE A 37 -7.671 -18.187 -1.016 1.00 13.34 C ATOM 606 CZ PHE A 37 -8.438 -19.358 -1.027 1.00 53.34 C ATOM 0 H PHE A 37 -9.647 -17.804 4.314 1.00 0.03 H new ATOM 0 HA PHE A 37 -7.027 -17.041 2.984 1.00 33.11 H new ATOM 0 HB2 PHE A 37 -9.993 -16.455 2.452 1.00 42.34 H new ATOM 0 HB3 PHE A 37 -8.716 -15.473 1.761 1.00 42.34 H new ATOM 0 HD1 PHE A 37 -10.263 -18.833 1.795 1.00 20.45 H new ATOM 0 HD2 PHE A 37 -7.242 -16.349 0.019 1.00 54.13 H new ATOM 0 HE1 PHE A 37 -9.965 -20.494 -0.018 1.00 12.32 H new ATOM 0 HE2 PHE A 37 -6.951 -18.006 -1.801 1.00 13.34 H new ATOM 0 HZ PHE A 37 -8.309 -20.081 -1.819 1.00 53.34 H new ATOM 616 N SER A 38 -6.846 -15.428 4.895 1.00 23.44 N ATOM 617 CA SER A 38 -6.729 -14.311 5.879 1.00 52.44 C ATOM 618 C SER A 38 -5.818 -13.203 5.343 1.00 33.32 C ATOM 619 O SER A 38 -5.674 -12.162 5.953 1.00 40.33 O ATOM 620 CB SER A 38 -6.115 -14.948 7.125 1.00 22.22 C ATOM 621 OG SER A 38 -4.704 -14.781 7.093 1.00 30.34 O ATOM 0 H SER A 38 -5.994 -15.969 4.749 1.00 23.44 H new ATOM 0 HA SER A 38 -7.694 -13.847 6.083 1.00 52.44 H new ATOM 0 HB2 SER A 38 -6.527 -14.487 8.023 1.00 22.22 H new ATOM 0 HB3 SER A 38 -6.366 -16.008 7.167 1.00 22.22 H new ATOM 0 HG SER A 38 -4.308 -15.187 7.892 1.00 30.34 H new ATOM 627 N ARG A 39 -5.189 -13.418 4.221 1.00 22.22 N ATOM 628 CA ARG A 39 -4.279 -12.369 3.673 1.00 44.43 C ATOM 629 C ARG A 39 -4.962 -11.588 2.551 1.00 44.34 C ATOM 630 O ARG A 39 -4.520 -10.523 2.168 1.00 31.15 O ATOM 631 CB ARG A 39 -3.070 -13.133 3.139 1.00 12.30 C ATOM 632 CG ARG A 39 -1.907 -12.159 2.940 1.00 44.22 C ATOM 633 CD ARG A 39 -0.864 -12.379 4.038 1.00 42.14 C ATOM 634 NE ARG A 39 -1.571 -12.060 5.310 1.00 52.14 N ATOM 635 CZ ARG A 39 -1.025 -11.247 6.174 1.00 45.32 C ATOM 636 NH1 ARG A 39 0.158 -11.511 6.661 1.00 20.51 N ATOM 637 NH2 ARG A 39 -1.662 -10.171 6.549 1.00 53.54 N ATOM 0 H ARG A 39 -5.264 -14.268 3.662 1.00 22.22 H new ATOM 0 HA ARG A 39 -3.999 -11.637 4.431 1.00 44.43 H new ATOM 0 HB2 ARG A 39 -2.785 -13.920 3.837 1.00 12.30 H new ATOM 0 HB3 ARG A 39 -3.319 -13.618 2.195 1.00 12.30 H new ATOM 0 HG2 ARG A 39 -1.456 -12.310 1.959 1.00 44.22 H new ATOM 0 HG3 ARG A 39 -2.270 -11.132 2.969 1.00 44.22 H new ATOM 0 HD2 ARG A 39 -0.499 -13.406 4.036 1.00 42.14 H new ATOM 0 HD3 ARG A 39 0.002 -11.733 3.895 1.00 42.14 H new ATOM 0 HE ARG A 39 -2.481 -12.476 5.506 1.00 52.14 H new ATOM 0 HH11 ARG A 39 0.655 -12.352 6.366 1.00 20.51 H new ATOM 0 HH12 ARG A 39 0.585 -10.876 7.336 1.00 20.51 H new ATOM 0 HH21 ARG A 39 -2.585 -9.966 6.167 1.00 53.54 H new ATOM 0 HH22 ARG A 39 -1.236 -9.535 7.224 1.00 53.54 H new ATOM 651 N VAL A 40 -6.035 -12.101 2.019 1.00 12.45 N ATOM 652 CA VAL A 40 -6.731 -11.372 0.927 1.00 63.45 C ATOM 653 C VAL A 40 -7.287 -10.050 1.465 1.00 51.41 C ATOM 654 O VAL A 40 -7.810 -9.993 2.559 1.00 22.12 O ATOM 655 CB VAL A 40 -7.859 -12.305 0.478 1.00 43.12 C ATOM 656 CG1 VAL A 40 -8.793 -12.589 1.655 1.00 54.13 C ATOM 657 CG2 VAL A 40 -8.650 -11.639 -0.649 1.00 2.02 C ATOM 0 H VAL A 40 -6.457 -12.988 2.292 1.00 12.45 H new ATOM 0 HA VAL A 40 -6.070 -11.124 0.097 1.00 63.45 H new ATOM 0 HB VAL A 40 -7.432 -13.243 0.122 1.00 43.12 H new ATOM 0 HG11 VAL A 40 -9.594 -13.253 1.331 1.00 54.13 H new ATOM 0 HG12 VAL A 40 -8.231 -13.063 2.459 1.00 54.13 H new ATOM 0 HG13 VAL A 40 -9.220 -11.653 2.014 1.00 54.13 H new ATOM 0 HG21 VAL A 40 -9.454 -12.302 -0.970 1.00 2.02 H new ATOM 0 HG22 VAL A 40 -9.074 -10.701 -0.291 1.00 2.02 H new ATOM 0 HG23 VAL A 40 -7.986 -11.439 -1.490 1.00 2.02 H new ATOM 667 N PRO A 41 -7.136 -9.026 0.672 1.00 75.33 N ATOM 668 CA PRO A 41 -7.612 -7.676 1.065 1.00 52.11 C ATOM 669 C PRO A 41 -9.142 -7.622 1.087 1.00 52.43 C ATOM 670 O PRO A 41 -9.803 -8.094 0.183 1.00 2.21 O ATOM 671 CB PRO A 41 -7.045 -6.767 -0.024 1.00 72.30 C ATOM 672 CG PRO A 41 -6.845 -7.664 -1.203 1.00 62.02 C ATOM 673 CD PRO A 41 -6.523 -9.030 -0.656 1.00 65.43 C ATOM 0 HA PRO A 41 -7.293 -7.386 2.066 1.00 52.11 H new ATOM 0 HB2 PRO A 41 -7.732 -5.954 -0.258 1.00 72.30 H new ATOM 0 HB3 PRO A 41 -6.106 -6.311 0.290 1.00 72.30 H new ATOM 0 HG2 PRO A 41 -7.742 -7.696 -1.822 1.00 62.02 H new ATOM 0 HG3 PRO A 41 -6.035 -7.299 -1.834 1.00 62.02 H new ATOM 0 HD2 PRO A 41 -6.934 -9.820 -1.284 1.00 65.43 H new ATOM 0 HD3 PRO A 41 -5.447 -9.195 -0.600 1.00 65.43 H new ATOM 681 N GLU A 42 -9.706 -7.048 2.114 1.00 43.51 N ATOM 682 CA GLU A 42 -11.192 -6.960 2.197 1.00 22.03 C ATOM 683 C GLU A 42 -11.737 -6.188 0.995 1.00 51.42 C ATOM 684 O GLU A 42 -12.918 -6.216 0.709 1.00 43.24 O ATOM 685 CB GLU A 42 -11.471 -6.202 3.493 1.00 63.53 C ATOM 686 CG GLU A 42 -12.968 -6.263 3.808 1.00 73.54 C ATOM 687 CD GLU A 42 -13.466 -4.872 4.203 1.00 13.42 C ATOM 688 OE1 GLU A 42 -13.259 -4.490 5.342 1.00 44.42 O ATOM 689 OE2 GLU A 42 -14.046 -4.212 3.356 1.00 70.43 O ATOM 0 H GLU A 42 -9.202 -6.636 2.899 1.00 43.51 H new ATOM 0 HA GLU A 42 -11.668 -7.940 2.190 1.00 22.03 H new ATOM 0 HB2 GLU A 42 -10.898 -6.637 4.312 1.00 63.53 H new ATOM 0 HB3 GLU A 42 -11.151 -5.165 3.396 1.00 63.53 H new ATOM 0 HG2 GLU A 42 -13.518 -6.624 2.939 1.00 73.54 H new ATOM 0 HG3 GLU A 42 -13.151 -6.969 4.618 1.00 73.54 H new ATOM 696 N GLU A 43 -10.885 -5.501 0.284 1.00 43.32 N ATOM 697 CA GLU A 43 -11.354 -4.733 -0.902 1.00 71.40 C ATOM 698 C GLU A 43 -11.697 -5.697 -2.037 1.00 62.31 C ATOM 699 O GLU A 43 -12.700 -5.554 -2.709 1.00 41.03 O ATOM 700 CB GLU A 43 -10.173 -3.841 -1.288 1.00 44.21 C ATOM 701 CG GLU A 43 -9.860 -2.884 -0.137 1.00 53.23 C ATOM 702 CD GLU A 43 -9.023 -1.716 -0.658 1.00 24.52 C ATOM 703 OE1 GLU A 43 -8.900 -1.592 -1.864 1.00 32.35 O ATOM 704 OE2 GLU A 43 -8.519 -0.963 0.159 1.00 65.04 O ATOM 0 H GLU A 43 -9.885 -5.439 0.474 1.00 43.32 H new ATOM 0 HA GLU A 43 -12.250 -4.148 -0.696 1.00 71.40 H new ATOM 0 HB2 GLU A 43 -9.300 -4.453 -1.514 1.00 44.21 H new ATOM 0 HB3 GLU A 43 -10.409 -3.277 -2.190 1.00 44.21 H new ATOM 0 HG2 GLU A 43 -10.785 -2.514 0.304 1.00 53.23 H new ATOM 0 HG3 GLU A 43 -9.320 -3.410 0.650 1.00 53.23 H new ATOM 711 N LEU A 44 -10.876 -6.688 -2.244 1.00 74.44 N ATOM 712 CA LEU A 44 -11.155 -7.677 -3.322 1.00 11.51 C ATOM 713 C LEU A 44 -12.059 -8.784 -2.783 1.00 13.53 C ATOM 714 O LEU A 44 -13.047 -9.146 -3.392 1.00 22.05 O ATOM 715 CB LEU A 44 -9.788 -8.239 -3.704 1.00 12.30 C ATOM 716 CG LEU A 44 -9.560 -8.056 -5.205 1.00 33.31 C ATOM 717 CD1 LEU A 44 -8.186 -8.615 -5.582 1.00 23.51 C ATOM 718 CD2 LEU A 44 -10.645 -8.802 -5.981 1.00 42.35 C ATOM 0 H LEU A 44 -10.022 -6.856 -1.712 1.00 74.44 H new ATOM 0 HA LEU A 44 -11.663 -7.233 -4.178 1.00 11.51 H new ATOM 0 HB2 LEU A 44 -9.004 -7.731 -3.142 1.00 12.30 H new ATOM 0 HB3 LEU A 44 -9.732 -9.296 -3.444 1.00 12.30 H new ATOM 0 HG LEU A 44 -9.602 -6.995 -5.453 1.00 33.31 H new ATOM 0 HD11 LEU A 44 -8.022 -8.486 -6.652 1.00 23.51 H new ATOM 0 HD12 LEU A 44 -7.412 -8.083 -5.029 1.00 23.51 H new ATOM 0 HD13 LEU A 44 -8.144 -9.676 -5.334 1.00 23.51 H new ATOM 0 HD21 LEU A 44 -10.482 -8.671 -7.051 1.00 42.35 H new ATOM 0 HD22 LEU A 44 -10.604 -9.863 -5.735 1.00 42.35 H new ATOM 0 HD23 LEU A 44 -11.624 -8.404 -5.712 1.00 42.35 H new ATOM 730 N MET A 45 -11.735 -9.320 -1.638 1.00 51.12 N ATOM 731 CA MET A 45 -12.582 -10.394 -1.055 1.00 43.50 C ATOM 732 C MET A 45 -14.029 -9.913 -0.960 1.00 33.24 C ATOM 733 O MET A 45 -14.963 -10.679 -1.102 1.00 61.33 O ATOM 734 CB MET A 45 -11.999 -10.650 0.337 1.00 64.44 C ATOM 735 CG MET A 45 -12.965 -11.518 1.148 1.00 31.13 C ATOM 736 SD MET A 45 -13.159 -13.126 0.337 1.00 65.43 S ATOM 737 CE MET A 45 -11.563 -13.822 0.826 1.00 14.22 C ATOM 0 H MET A 45 -10.920 -9.059 -1.083 1.00 51.12 H new ATOM 0 HA MET A 45 -12.586 -11.301 -1.659 1.00 43.50 H new ATOM 0 HB2 MET A 45 -11.032 -11.147 0.252 1.00 64.44 H new ATOM 0 HB3 MET A 45 -11.827 -9.704 0.850 1.00 64.44 H new ATOM 0 HG2 MET A 45 -12.586 -11.653 2.161 1.00 31.13 H new ATOM 0 HG3 MET A 45 -13.932 -11.023 1.233 1.00 31.13 H new ATOM 0 HE1 MET A 45 -11.656 -14.902 0.937 1.00 14.22 H new ATOM 0 HE2 MET A 45 -10.819 -13.598 0.062 1.00 14.22 H new ATOM 0 HE3 MET A 45 -11.251 -13.386 1.775 1.00 14.22 H new ATOM 747 N LYS A 46 -14.225 -8.640 -0.732 1.00 20.12 N ATOM 748 CA LYS A 46 -15.613 -8.107 -0.643 1.00 62.23 C ATOM 749 C LYS A 46 -16.433 -8.631 -1.823 1.00 13.20 C ATOM 750 O LYS A 46 -17.556 -9.069 -1.670 1.00 62.42 O ATOM 751 CB LYS A 46 -15.465 -6.586 -0.724 1.00 41.24 C ATOM 752 CG LYS A 46 -15.805 -5.963 0.631 1.00 44.40 C ATOM 753 CD LYS A 46 -17.064 -5.101 0.497 1.00 65.33 C ATOM 754 CE LYS A 46 -16.731 -3.826 -0.284 1.00 11.14 C ATOM 755 NZ LYS A 46 -17.709 -2.811 0.198 1.00 23.40 N ATOM 0 H LYS A 46 -13.485 -7.950 -0.604 1.00 20.12 H new ATOM 0 HA LYS A 46 -16.122 -8.411 0.272 1.00 62.23 H new ATOM 0 HB2 LYS A 46 -14.446 -6.325 -1.010 1.00 41.24 H new ATOM 0 HB3 LYS A 46 -16.125 -6.187 -1.495 1.00 41.24 H new ATOM 0 HG2 LYS A 46 -15.965 -6.745 1.373 1.00 44.40 H new ATOM 0 HG3 LYS A 46 -14.971 -5.355 0.983 1.00 44.40 H new ATOM 0 HD2 LYS A 46 -17.847 -5.660 -0.016 1.00 65.33 H new ATOM 0 HD3 LYS A 46 -17.449 -4.845 1.484 1.00 65.33 H new ATOM 0 HE2 LYS A 46 -15.706 -3.506 -0.098 1.00 11.14 H new ATOM 0 HE3 LYS A 46 -16.825 -3.985 -1.358 1.00 11.14 H new ATOM 0 HZ1 LYS A 46 -17.543 -1.909 -0.292 1.00 23.40 H new ATOM 0 HZ2 LYS A 46 -18.676 -3.140 0.001 1.00 23.40 H new ATOM 0 HZ3 LYS A 46 -17.592 -2.675 1.222 1.00 23.40 H new ATOM 769 N GLY A 47 -15.869 -8.603 -2.999 1.00 71.15 N ATOM 770 CA GLY A 47 -16.602 -9.112 -4.190 1.00 64.50 C ATOM 771 C GLY A 47 -16.692 -10.633 -4.103 1.00 54.33 C ATOM 772 O GLY A 47 -17.679 -11.233 -4.482 1.00 71.32 O ATOM 0 H GLY A 47 -14.931 -8.249 -3.186 1.00 71.15 H new ATOM 0 HA2 GLY A 47 -17.601 -8.677 -4.232 1.00 64.50 H new ATOM 0 HA3 GLY A 47 -16.087 -8.817 -5.104 1.00 64.50 H new ATOM 776 N PHE A 48 -15.666 -11.264 -3.597 1.00 60.12 N ATOM 777 CA PHE A 48 -15.692 -12.746 -3.471 1.00 2.33 C ATOM 778 C PHE A 48 -16.673 -13.151 -2.369 1.00 71.31 C ATOM 779 O PHE A 48 -17.411 -14.107 -2.497 1.00 41.53 O ATOM 780 CB PHE A 48 -14.261 -13.134 -3.094 1.00 42.23 C ATOM 781 CG PHE A 48 -13.862 -14.380 -3.847 1.00 11.23 C ATOM 782 CD1 PHE A 48 -14.769 -15.438 -3.972 1.00 2.13 C ATOM 783 CD2 PHE A 48 -12.588 -14.478 -4.419 1.00 70.22 C ATOM 784 CE1 PHE A 48 -14.403 -16.593 -4.671 1.00 41.00 C ATOM 785 CE2 PHE A 48 -12.221 -15.632 -5.118 1.00 72.54 C ATOM 786 CZ PHE A 48 -13.128 -16.693 -5.243 1.00 12.53 C ATOM 0 H PHE A 48 -14.812 -10.815 -3.266 1.00 60.12 H new ATOM 0 HA PHE A 48 -16.015 -13.242 -4.386 1.00 2.33 H new ATOM 0 HB2 PHE A 48 -13.577 -12.319 -3.331 1.00 42.23 H new ATOM 0 HB3 PHE A 48 -14.191 -13.307 -2.020 1.00 42.23 H new ATOM 0 HD1 PHE A 48 -15.751 -15.363 -3.529 1.00 2.13 H new ATOM 0 HD2 PHE A 48 -11.888 -13.662 -4.320 1.00 70.22 H new ATOM 0 HE1 PHE A 48 -15.104 -17.409 -4.770 1.00 41.00 H new ATOM 0 HE2 PHE A 48 -11.239 -15.706 -5.561 1.00 72.54 H new ATOM 0 HZ PHE A 48 -12.845 -17.586 -5.779 1.00 12.53 H new ATOM 796 N GLY A 49 -16.682 -12.423 -1.284 1.00 22.32 N ATOM 797 CA GLY A 49 -17.612 -12.753 -0.168 1.00 32.53 C ATOM 798 C GLY A 49 -17.394 -14.202 0.250 1.00 3.01 C ATOM 799 O GLY A 49 -16.577 -14.500 1.097 1.00 44.24 O ATOM 0 H GLY A 49 -16.084 -11.613 -1.123 1.00 22.32 H new ATOM 0 HA2 GLY A 49 -17.437 -12.087 0.677 1.00 32.53 H new ATOM 0 HA3 GLY A 49 -18.645 -12.604 -0.482 1.00 32.53 H new ATOM 803 N GLN A 50 -18.115 -15.110 -0.342 1.00 72.30 N ATOM 804 CA GLN A 50 -17.941 -16.542 0.016 1.00 21.41 C ATOM 805 C GLN A 50 -17.342 -17.302 -1.166 1.00 60.52 C ATOM 806 O GLN A 50 -17.991 -17.500 -2.173 1.00 35.31 O ATOM 807 CB GLN A 50 -19.350 -17.049 0.330 1.00 33.40 C ATOM 808 CG GLN A 50 -19.536 -17.129 1.846 1.00 41.40 C ATOM 809 CD GLN A 50 -19.585 -15.716 2.432 1.00 51.30 C ATOM 810 OE1 GLN A 50 -18.481 -15.027 2.543 1.00 53.42 O flip ATOM 811 NE2 GLN A 50 -20.639 -15.234 2.795 1.00 61.40 N flip ATOM 0 H GLN A 50 -18.817 -14.922 -1.058 1.00 72.30 H new ATOM 0 HA GLN A 50 -17.267 -16.682 0.861 1.00 21.41 H new ATOM 0 HB2 GLN A 50 -20.094 -16.381 -0.104 1.00 33.40 H new ATOM 0 HB3 GLN A 50 -19.503 -18.031 -0.118 1.00 33.40 H new ATOM 0 HG2 GLN A 50 -20.456 -17.664 2.082 1.00 41.40 H new ATOM 0 HG3 GLN A 50 -18.717 -17.691 2.294 1.00 41.40 H new ATOM 0 HE21 GLN A 50 -21.502 -15.771 2.709 1.00 61.40 H new ATOM 0 HE22 GLN A 50 -20.661 -14.292 3.186 1.00 61.40 H new ATOM 820 N PRO A 51 -16.111 -17.709 -1.000 1.00 2.31 N ATOM 821 CA PRO A 51 -15.406 -18.457 -2.068 1.00 31.13 C ATOM 822 C PRO A 51 -16.002 -19.857 -2.216 1.00 11.00 C ATOM 823 O PRO A 51 -16.638 -20.371 -1.319 1.00 2.13 O ATOM 824 CB PRO A 51 -13.965 -18.525 -1.570 1.00 64.54 C ATOM 825 CG PRO A 51 -14.069 -18.386 -0.086 1.00 0.35 C ATOM 826 CD PRO A 51 -15.270 -17.516 0.184 1.00 24.21 C ATOM 0 HA PRO A 51 -15.487 -17.987 -3.048 1.00 31.13 H new ATOM 0 HB2 PRO A 51 -13.494 -19.468 -1.847 1.00 64.54 H new ATOM 0 HB3 PRO A 51 -13.359 -17.728 -2.001 1.00 64.54 H new ATOM 0 HG2 PRO A 51 -14.183 -19.361 0.387 1.00 0.35 H new ATOM 0 HG3 PRO A 51 -13.165 -17.936 0.325 1.00 0.35 H new ATOM 0 HD2 PRO A 51 -15.786 -17.817 1.095 1.00 24.21 H new ATOM 0 HD3 PRO A 51 -14.987 -16.471 0.309 1.00 24.21 H new ATOM 834 N GLN A 52 -15.802 -20.476 -3.347 1.00 64.14 N ATOM 835 CA GLN A 52 -16.358 -21.842 -3.558 1.00 73.04 C ATOM 836 C GLN A 52 -15.277 -22.761 -4.129 1.00 61.33 C ATOM 837 O GLN A 52 -14.285 -22.308 -4.663 1.00 74.02 O ATOM 838 CB GLN A 52 -17.496 -21.656 -4.561 1.00 12.15 C ATOM 839 CG GLN A 52 -18.383 -20.494 -4.112 1.00 61.13 C ATOM 840 CD GLN A 52 -19.074 -20.856 -2.795 1.00 63.20 C ATOM 841 OE1 GLN A 52 -19.437 -21.994 -2.579 1.00 4.24 O ATOM 842 NE2 GLN A 52 -19.271 -19.928 -1.898 1.00 15.20 N ATOM 0 H GLN A 52 -15.277 -20.095 -4.134 1.00 64.14 H new ATOM 0 HA GLN A 52 -16.708 -22.298 -2.632 1.00 73.04 H new ATOM 0 HB2 GLN A 52 -17.092 -21.457 -5.554 1.00 12.15 H new ATOM 0 HB3 GLN A 52 -18.085 -22.570 -4.634 1.00 12.15 H new ATOM 0 HG2 GLN A 52 -17.783 -19.593 -3.984 1.00 61.13 H new ATOM 0 HG3 GLN A 52 -19.128 -20.275 -4.877 1.00 61.13 H new ATOM 0 HE21 GLN A 52 -18.966 -18.971 -2.078 1.00 15.20 H new ATOM 0 HE22 GLN A 52 -19.729 -20.160 -1.017 1.00 15.20 H new ATOM 851 N LEU A 53 -15.458 -24.046 -4.017 1.00 73.11 N ATOM 852 CA LEU A 53 -14.435 -24.988 -4.551 1.00 2.00 C ATOM 853 C LEU A 53 -14.728 -25.324 -6.015 1.00 64.52 C ATOM 854 O LEU A 53 -15.545 -26.174 -6.314 1.00 33.12 O ATOM 855 CB LEU A 53 -14.555 -26.237 -3.680 1.00 45.22 C ATOM 856 CG LEU A 53 -13.230 -26.998 -3.702 1.00 11.42 C ATOM 857 CD1 LEU A 53 -12.824 -27.274 -5.152 1.00 0.54 C ATOM 858 CD2 LEU A 53 -12.152 -26.151 -3.025 1.00 44.24 C ATOM 0 H LEU A 53 -16.268 -24.485 -3.580 1.00 73.11 H new ATOM 0 HA LEU A 53 -13.432 -24.563 -4.522 1.00 2.00 H new ATOM 0 HB2 LEU A 53 -14.810 -25.958 -2.658 1.00 45.22 H new ATOM 0 HB3 LEU A 53 -15.360 -26.874 -4.047 1.00 45.22 H new ATOM 0 HG LEU A 53 -13.342 -27.943 -3.171 1.00 11.42 H new ATOM 0 HD11 LEU A 53 -11.879 -27.817 -5.168 1.00 0.54 H new ATOM 0 HD12 LEU A 53 -13.595 -27.872 -5.638 1.00 0.54 H new ATOM 0 HD13 LEU A 53 -12.709 -26.329 -5.684 1.00 0.54 H new ATOM 0 HD21 LEU A 53 -11.204 -26.690 -3.038 1.00 44.24 H new ATOM 0 HD22 LEU A 53 -12.041 -25.208 -3.560 1.00 44.24 H new ATOM 0 HD23 LEU A 53 -12.441 -25.951 -1.993 1.00 44.24 H new ATOM 870 N ALA A 54 -14.064 -24.671 -6.927 1.00 10.33 N ATOM 871 CA ALA A 54 -14.299 -24.966 -8.370 1.00 72.12 C ATOM 872 C ALA A 54 -13.421 -26.139 -8.812 1.00 61.01 C ATOM 873 O ALA A 54 -13.908 -27.163 -9.248 1.00 33.11 O ATOM 874 CB ALA A 54 -13.900 -23.687 -9.108 1.00 23.20 C ATOM 0 H ALA A 54 -13.370 -23.948 -6.738 1.00 10.33 H new ATOM 0 HA ALA A 54 -15.333 -25.245 -8.574 1.00 72.12 H new ATOM 0 HB1 ALA A 54 -14.045 -23.825 -10.179 1.00 23.20 H new ATOM 0 HB2 ALA A 54 -14.519 -22.859 -8.762 1.00 23.20 H new ATOM 0 HB3 ALA A 54 -12.852 -23.464 -8.909 1.00 23.20 H new ATOM 880 N MET A 55 -12.128 -26.001 -8.694 1.00 3.33 N ATOM 881 CA MET A 55 -11.217 -27.109 -9.102 1.00 13.42 C ATOM 882 C MET A 55 -10.011 -27.174 -8.159 1.00 24.10 C ATOM 883 O MET A 55 -9.516 -26.163 -7.700 1.00 32.21 O ATOM 884 CB MET A 55 -10.771 -26.756 -10.521 1.00 74.10 C ATOM 885 CG MET A 55 -11.455 -27.695 -11.518 1.00 75.13 C ATOM 886 SD MET A 55 -10.889 -29.390 -11.231 1.00 61.23 S ATOM 887 CE MET A 55 -12.515 -30.121 -10.920 1.00 34.02 C ATOM 0 H MET A 55 -11.663 -25.168 -8.332 1.00 3.33 H new ATOM 0 HA MET A 55 -11.706 -28.082 -9.061 1.00 13.42 H new ATOM 0 HB2 MET A 55 -11.025 -25.720 -10.747 1.00 74.10 H new ATOM 0 HB3 MET A 55 -9.688 -26.844 -10.606 1.00 74.10 H new ATOM 0 HG2 MET A 55 -12.538 -27.637 -11.405 1.00 75.13 H new ATOM 0 HG3 MET A 55 -11.224 -27.390 -12.539 1.00 75.13 H new ATOM 0 HE1 MET A 55 -12.393 -31.078 -10.413 1.00 34.02 H new ATOM 0 HE2 MET A 55 -13.102 -29.450 -10.293 1.00 34.02 H new ATOM 0 HE3 MET A 55 -13.031 -30.276 -11.867 1.00 34.02 H new ATOM 897 N ILE A 56 -9.538 -28.354 -7.862 1.00 24.52 N ATOM 898 CA ILE A 56 -8.366 -28.475 -6.946 1.00 15.13 C ATOM 899 C ILE A 56 -7.115 -28.883 -7.729 1.00 40.42 C ATOM 900 O ILE A 56 -7.123 -29.839 -8.481 1.00 35.25 O ATOM 901 CB ILE A 56 -8.755 -29.570 -5.954 1.00 30.25 C ATOM 902 CG1 ILE A 56 -10.137 -29.262 -5.371 1.00 44.21 C ATOM 903 CG2 ILE A 56 -7.724 -29.622 -4.822 1.00 50.12 C ATOM 904 CD1 ILE A 56 -11.180 -30.172 -6.022 1.00 42.43 C ATOM 0 H ILE A 56 -9.910 -29.237 -8.212 1.00 24.52 H new ATOM 0 HA ILE A 56 -8.133 -27.533 -6.449 1.00 15.13 H new ATOM 0 HB ILE A 56 -8.782 -30.532 -6.466 1.00 30.25 H new ATOM 0 HG12 ILE A 56 -10.130 -29.413 -4.292 1.00 44.21 H new ATOM 0 HG13 ILE A 56 -10.392 -28.217 -5.545 1.00 44.21 H new ATOM 0 HG21 ILE A 56 -8.001 -30.403 -4.114 1.00 50.12 H new ATOM 0 HG22 ILE A 56 -6.740 -29.840 -5.236 1.00 50.12 H new ATOM 0 HG23 ILE A 56 -7.697 -28.660 -4.310 1.00 50.12 H new ATOM 0 HD11 ILE A 56 -12.164 -29.953 -5.607 1.00 42.43 H new ATOM 0 HD12 ILE A 56 -11.193 -29.999 -7.098 1.00 42.43 H new ATOM 0 HD13 ILE A 56 -10.927 -31.214 -5.825 1.00 42.43 H new ATOM 916 N LEU A 57 -6.036 -28.172 -7.552 1.00 40.34 N ATOM 917 CA LEU A 57 -4.784 -28.524 -8.279 1.00 43.31 C ATOM 918 C LEU A 57 -3.975 -29.532 -7.453 1.00 1.21 C ATOM 919 O LEU A 57 -3.575 -29.245 -6.343 1.00 12.44 O ATOM 920 CB LEU A 57 -4.025 -27.202 -8.423 1.00 10.42 C ATOM 921 CG LEU A 57 -2.537 -27.478 -8.654 1.00 22.42 C ATOM 922 CD1 LEU A 57 -2.366 -28.405 -9.861 1.00 11.50 C ATOM 923 CD2 LEU A 57 -1.815 -26.157 -8.922 1.00 52.22 C ATOM 0 H LEU A 57 -5.967 -27.362 -6.935 1.00 40.34 H new ATOM 0 HA LEU A 57 -4.974 -28.984 -9.249 1.00 43.31 H new ATOM 0 HB2 LEU A 57 -4.431 -26.628 -9.256 1.00 10.42 H new ATOM 0 HB3 LEU A 57 -4.157 -26.597 -7.526 1.00 10.42 H new ATOM 0 HG LEU A 57 -2.115 -27.956 -7.770 1.00 22.42 H new ATOM 0 HD11 LEU A 57 -1.306 -28.600 -10.023 1.00 11.50 H new ATOM 0 HD12 LEU A 57 -2.883 -29.346 -9.673 1.00 11.50 H new ATOM 0 HD13 LEU A 57 -2.787 -27.930 -10.747 1.00 11.50 H new ATOM 0 HD21 LEU A 57 -0.755 -26.349 -9.087 1.00 52.22 H new ATOM 0 HD22 LEU A 57 -2.240 -25.683 -9.807 1.00 52.22 H new ATOM 0 HD23 LEU A 57 -1.935 -25.496 -8.063 1.00 52.22 H new ATOM 935 N PRO A 58 -3.766 -30.686 -8.028 1.00 31.02 N ATOM 936 CA PRO A 58 -3.000 -31.749 -7.339 1.00 72.43 C ATOM 937 C PRO A 58 -1.516 -31.382 -7.273 1.00 63.31 C ATOM 938 O PRO A 58 -1.089 -30.384 -7.818 1.00 52.14 O ATOM 939 CB PRO A 58 -3.217 -32.976 -8.220 1.00 54.42 C ATOM 940 CG PRO A 58 -3.525 -32.424 -9.574 1.00 63.50 C ATOM 941 CD PRO A 58 -4.216 -31.104 -9.357 1.00 31.23 C ATOM 0 HA PRO A 58 -3.320 -31.908 -6.309 1.00 72.43 H new ATOM 0 HB2 PRO A 58 -2.329 -33.608 -8.243 1.00 54.42 H new ATOM 0 HB3 PRO A 58 -4.037 -33.591 -7.848 1.00 54.42 H new ATOM 0 HG2 PRO A 58 -2.612 -32.292 -10.155 1.00 63.50 H new ATOM 0 HG3 PRO A 58 -4.163 -33.107 -10.134 1.00 63.50 H new ATOM 0 HD2 PRO A 58 -3.938 -30.377 -10.120 1.00 31.23 H new ATOM 0 HD3 PRO A 58 -5.300 -31.209 -9.397 1.00 31.23 H new ATOM 949 N LEU A 59 -0.733 -32.184 -6.614 1.00 41.15 N ATOM 950 CA LEU A 59 0.727 -31.891 -6.513 1.00 2.30 C ATOM 951 C LEU A 59 1.529 -33.000 -7.196 1.00 55.03 C ATOM 952 O LEU A 59 2.426 -33.583 -6.617 1.00 1.54 O ATOM 953 CB LEU A 59 1.043 -31.840 -5.013 1.00 32.13 C ATOM 954 CG LEU A 59 0.200 -32.869 -4.251 1.00 60.21 C ATOM 955 CD1 LEU A 59 0.518 -34.274 -4.763 1.00 10.35 C ATOM 956 CD2 LEU A 59 0.529 -32.786 -2.759 1.00 44.43 C ATOM 0 H LEU A 59 -1.038 -33.033 -6.138 1.00 41.15 H new ATOM 0 HA LEU A 59 0.989 -30.953 -7.003 1.00 2.30 H new ATOM 0 HB2 LEU A 59 2.103 -32.038 -4.852 1.00 32.13 H new ATOM 0 HB3 LEU A 59 0.843 -30.840 -4.627 1.00 32.13 H new ATOM 0 HG LEU A 59 -0.858 -32.659 -4.407 1.00 60.21 H new ATOM 0 HD11 LEU A 59 -0.082 -35.004 -4.220 1.00 10.35 H new ATOM 0 HD12 LEU A 59 0.288 -34.334 -5.827 1.00 10.35 H new ATOM 0 HD13 LEU A 59 1.576 -34.487 -4.608 1.00 10.35 H new ATOM 0 HD21 LEU A 59 -0.069 -33.516 -2.213 1.00 44.43 H new ATOM 0 HD22 LEU A 59 1.588 -32.997 -2.608 1.00 44.43 H new ATOM 0 HD23 LEU A 59 0.303 -31.785 -2.392 1.00 44.43 H new ATOM 1090 N ASN A 67 -6.228 -18.883 -17.042 1.00 5.11 N ATOM 1091 CA ASN A 67 -6.688 -17.705 -16.251 1.00 12.21 C ATOM 1092 C ASN A 67 -5.517 -17.129 -15.451 1.00 22.31 C ATOM 1093 O ASN A 67 -5.124 -15.994 -15.636 1.00 62.23 O ATOM 1094 CB ASN A 67 -7.765 -18.250 -15.310 1.00 34.41 C ATOM 1095 CG ASN A 67 -8.689 -19.199 -16.080 1.00 73.24 C ATOM 1096 OD1 ASN A 67 -8.527 -20.402 -16.023 1.00 71.45 O ATOM 1097 ND2 ASN A 67 -9.656 -18.705 -16.802 1.00 45.23 N ATOM 0 HA ASN A 67 -7.073 -16.904 -16.883 1.00 12.21 H new ATOM 0 HB2 ASN A 67 -7.301 -18.776 -14.476 1.00 34.41 H new ATOM 0 HB3 ASN A 67 -8.342 -17.428 -14.887 1.00 34.41 H new ATOM 0 HD21 ASN A 67 -10.276 -19.328 -17.319 1.00 45.23 H new ATOM 0 HD22 ASN A 67 -9.792 -17.695 -16.850 1.00 45.23 H new ATOM 1104 N ALA A 68 -4.952 -17.906 -14.565 1.00 23.52 N ATOM 1105 CA ALA A 68 -3.805 -17.407 -13.759 1.00 55.43 C ATOM 1106 C ALA A 68 -2.599 -18.325 -13.943 1.00 51.13 C ATOM 1107 O ALA A 68 -2.736 -19.493 -14.252 1.00 73.12 O ATOM 1108 CB ALA A 68 -4.293 -17.449 -12.311 1.00 41.31 C ATOM 0 H ALA A 68 -5.237 -18.865 -14.366 1.00 23.52 H new ATOM 0 HA ALA A 68 -3.493 -16.405 -14.055 1.00 55.43 H new ATOM 0 HB1 ALA A 68 -3.502 -17.095 -11.650 1.00 41.31 H new ATOM 0 HB2 ALA A 68 -5.169 -16.809 -12.204 1.00 41.31 H new ATOM 0 HB3 ALA A 68 -4.557 -18.473 -12.045 1.00 41.31 H new ATOM 1114 N ASP A 69 -1.416 -17.810 -13.757 1.00 64.30 N ATOM 1115 CA ASP A 69 -0.210 -18.661 -13.920 1.00 14.00 C ATOM 1116 C ASP A 69 0.125 -19.343 -12.591 1.00 64.05 C ATOM 1117 O ASP A 69 0.543 -18.709 -11.645 1.00 53.23 O ATOM 1118 CB ASP A 69 0.905 -17.698 -14.326 1.00 71.01 C ATOM 1119 CG ASP A 69 0.599 -17.113 -15.708 1.00 61.20 C ATOM 1120 OD1 ASP A 69 -0.557 -17.137 -16.096 1.00 42.34 O ATOM 1121 OD2 ASP A 69 1.527 -16.652 -16.351 1.00 75.21 O ATOM 0 H ASP A 69 -1.235 -16.840 -13.500 1.00 64.30 H new ATOM 0 HA ASP A 69 -0.352 -19.448 -14.660 1.00 14.00 H new ATOM 0 HB2 ASP A 69 0.993 -16.897 -13.592 1.00 71.01 H new ATOM 0 HB3 ASP A 69 1.862 -18.220 -14.344 1.00 71.01 H new ATOM 1126 N ILE A 70 -0.065 -20.630 -12.517 1.00 24.02 N ATOM 1127 CA ILE A 70 0.237 -21.355 -11.248 1.00 75.12 C ATOM 1128 C ILE A 70 1.659 -21.019 -10.775 1.00 41.32 C ATOM 1129 O ILE A 70 1.941 -20.994 -9.594 1.00 12.32 O ATOM 1130 CB ILE A 70 0.076 -22.847 -11.595 1.00 42.04 C ATOM 1131 CG1 ILE A 70 -0.592 -23.567 -10.420 1.00 51.34 C ATOM 1132 CG2 ILE A 70 1.436 -23.495 -11.879 1.00 72.43 C ATOM 1133 CD1 ILE A 70 0.292 -23.449 -9.177 1.00 4.21 C ATOM 0 H ILE A 70 -0.416 -21.212 -13.278 1.00 24.02 H new ATOM 0 HA ILE A 70 -0.424 -21.073 -10.428 1.00 75.12 H new ATOM 0 HB ILE A 70 -0.540 -22.931 -12.490 1.00 42.04 H new ATOM 0 HG12 ILE A 70 -1.572 -23.133 -10.224 1.00 51.34 H new ATOM 0 HG13 ILE A 70 -0.752 -24.617 -10.667 1.00 51.34 H new ATOM 0 HG21 ILE A 70 1.294 -24.548 -12.121 1.00 72.43 H new ATOM 0 HG22 ILE A 70 1.911 -22.990 -12.720 1.00 72.43 H new ATOM 0 HG23 ILE A 70 2.072 -23.408 -10.998 1.00 72.43 H new ATOM 0 HD11 ILE A 70 -0.185 -23.962 -8.342 1.00 4.21 H new ATOM 0 HD12 ILE A 70 1.262 -23.904 -9.376 1.00 4.21 H new ATOM 0 HD13 ILE A 70 0.429 -22.397 -8.926 1.00 4.21 H new ATOM 1145 N GLU A 71 2.554 -20.758 -11.692 1.00 71.30 N ATOM 1146 CA GLU A 71 3.951 -20.420 -11.294 1.00 34.31 C ATOM 1147 C GLU A 71 3.978 -19.061 -10.591 1.00 21.32 C ATOM 1148 O GLU A 71 4.612 -18.892 -9.568 1.00 74.43 O ATOM 1149 CB GLU A 71 4.734 -20.362 -12.606 1.00 32.23 C ATOM 1150 CG GLU A 71 4.734 -21.741 -13.266 1.00 24.31 C ATOM 1151 CD GLU A 71 6.147 -22.327 -13.230 1.00 61.44 C ATOM 1152 OE1 GLU A 71 6.751 -22.299 -12.166 1.00 2.43 O ATOM 1153 OE2 GLU A 71 6.601 -22.793 -14.259 1.00 13.04 O ATOM 0 H GLU A 71 2.378 -20.764 -12.697 1.00 71.30 H new ATOM 0 HA GLU A 71 4.374 -21.148 -10.602 1.00 34.31 H new ATOM 0 HB2 GLU A 71 4.287 -19.627 -13.276 1.00 32.23 H new ATOM 0 HB3 GLU A 71 5.758 -20.039 -12.416 1.00 32.23 H new ATOM 0 HG2 GLU A 71 4.041 -22.404 -12.747 1.00 24.31 H new ATOM 0 HG3 GLU A 71 4.388 -21.662 -14.297 1.00 24.31 H new ATOM 1160 N LYS A 72 3.293 -18.091 -11.133 1.00 11.35 N ATOM 1161 CA LYS A 72 3.277 -16.742 -10.496 1.00 51.02 C ATOM 1162 C LYS A 72 2.540 -16.804 -9.156 1.00 14.21 C ATOM 1163 O LYS A 72 2.598 -15.886 -8.362 1.00 51.23 O ATOM 1164 CB LYS A 72 2.522 -15.850 -11.483 1.00 72.13 C ATOM 1165 CG LYS A 72 3.471 -15.408 -12.598 1.00 61.11 C ATOM 1166 CD LYS A 72 3.800 -13.922 -12.432 1.00 55.21 C ATOM 1167 CE LYS A 72 2.594 -13.083 -12.859 1.00 2.42 C ATOM 1168 NZ LYS A 72 2.241 -13.582 -14.219 1.00 65.31 N ATOM 0 H LYS A 72 2.744 -18.174 -11.989 1.00 11.35 H new ATOM 0 HA LYS A 72 4.279 -16.366 -10.292 1.00 51.02 H new ATOM 0 HB2 LYS A 72 1.675 -16.391 -11.905 1.00 72.13 H new ATOM 0 HB3 LYS A 72 2.119 -14.979 -10.967 1.00 72.13 H new ATOM 0 HG2 LYS A 72 4.386 -15.999 -12.566 1.00 61.11 H new ATOM 0 HG3 LYS A 72 3.012 -15.583 -13.571 1.00 61.11 H new ATOM 0 HD2 LYS A 72 4.056 -13.709 -11.394 1.00 55.21 H new ATOM 0 HD3 LYS A 72 4.670 -13.661 -13.035 1.00 55.21 H new ATOM 0 HE2 LYS A 72 1.762 -13.205 -12.165 1.00 2.42 H new ATOM 0 HE3 LYS A 72 2.839 -12.021 -12.879 1.00 2.42 H new ATOM 0 HZ1 LYS A 72 1.775 -12.824 -14.757 1.00 65.31 H new ATOM 0 HZ2 LYS A 72 3.106 -13.878 -14.716 1.00 65.31 H new ATOM 0 HZ3 LYS A 72 1.596 -14.393 -14.134 1.00 65.31 H new ATOM 1182 N VAL A 73 1.847 -17.879 -8.899 1.00 10.10 N ATOM 1183 CA VAL A 73 1.107 -18.001 -7.610 1.00 53.45 C ATOM 1184 C VAL A 73 2.006 -18.636 -6.543 1.00 51.53 C ATOM 1185 O VAL A 73 1.779 -18.488 -5.359 1.00 62.52 O ATOM 1186 CB VAL A 73 -0.080 -18.913 -7.921 1.00 42.41 C ATOM 1187 CG1 VAL A 73 -0.941 -19.075 -6.666 1.00 44.13 C ATOM 1188 CG2 VAL A 73 -0.924 -18.287 -9.036 1.00 75.25 C ATOM 0 H VAL A 73 1.761 -18.679 -9.526 1.00 10.10 H new ATOM 0 HA VAL A 73 0.788 -17.033 -7.223 1.00 53.45 H new ATOM 0 HB VAL A 73 0.286 -19.888 -8.242 1.00 42.41 H new ATOM 0 HG11 VAL A 73 -1.788 -19.725 -6.887 1.00 44.13 H new ATOM 0 HG12 VAL A 73 -0.343 -19.516 -5.869 1.00 44.13 H new ATOM 0 HG13 VAL A 73 -1.307 -18.099 -6.347 1.00 44.13 H new ATOM 0 HG21 VAL A 73 -1.771 -18.936 -9.259 1.00 75.25 H new ATOM 0 HG22 VAL A 73 -1.289 -17.312 -8.712 1.00 75.25 H new ATOM 0 HG23 VAL A 73 -0.313 -18.167 -9.931 1.00 75.25 H new ATOM 1198 N LYS A 74 3.023 -19.342 -6.955 1.00 1.00 N ATOM 1199 CA LYS A 74 3.935 -19.986 -5.966 1.00 22.14 C ATOM 1200 C LYS A 74 4.502 -18.940 -5.004 1.00 5.25 C ATOM 1201 O LYS A 74 4.499 -19.122 -3.802 1.00 41.30 O ATOM 1202 CB LYS A 74 5.057 -20.603 -6.804 1.00 34.04 C ATOM 1203 CG LYS A 74 4.463 -21.570 -7.832 1.00 3.53 C ATOM 1204 CD LYS A 74 4.507 -22.995 -7.282 1.00 15.12 C ATOM 1205 CE LYS A 74 3.109 -23.407 -6.816 1.00 32.25 C ATOM 1206 NZ LYS A 74 3.337 -24.193 -5.572 1.00 41.54 N ATOM 0 H LYS A 74 3.262 -19.501 -7.934 1.00 1.00 H new ATOM 0 HA LYS A 74 3.421 -20.730 -5.358 1.00 22.14 H new ATOM 0 HB2 LYS A 74 5.619 -19.818 -7.311 1.00 34.04 H new ATOM 0 HB3 LYS A 74 5.759 -21.130 -6.158 1.00 34.04 H new ATOM 0 HG2 LYS A 74 3.435 -21.289 -8.059 1.00 3.53 H new ATOM 0 HG3 LYS A 74 5.022 -21.513 -8.766 1.00 3.53 H new ATOM 0 HD2 LYS A 74 4.863 -23.682 -8.050 1.00 15.12 H new ATOM 0 HD3 LYS A 74 5.211 -23.054 -6.452 1.00 15.12 H new ATOM 0 HE2 LYS A 74 2.484 -22.535 -6.624 1.00 32.25 H new ATOM 0 HE3 LYS A 74 2.600 -24.004 -7.573 1.00 32.25 H new ATOM 0 HZ1 LYS A 74 2.424 -24.512 -5.191 1.00 41.54 H new ATOM 0 HZ2 LYS A 74 3.930 -25.020 -5.788 1.00 41.54 H new ATOM 0 HZ3 LYS A 74 3.817 -23.597 -4.868 1.00 41.54 H new ATOM 1220 N GLN A 75 4.991 -17.846 -5.522 1.00 63.22 N ATOM 1221 CA GLN A 75 5.562 -16.791 -4.638 1.00 34.00 C ATOM 1222 C GLN A 75 4.469 -16.184 -3.757 1.00 53.24 C ATOM 1223 O GLN A 75 4.745 -15.526 -2.772 1.00 72.22 O ATOM 1224 CB GLN A 75 6.125 -15.738 -5.594 1.00 54.31 C ATOM 1225 CG GLN A 75 4.991 -15.153 -6.437 1.00 73.13 C ATOM 1226 CD GLN A 75 4.272 -14.063 -5.642 1.00 30.14 C ATOM 1227 OE1 GLN A 75 2.983 -14.153 -5.458 1.00 51.31 O flip ATOM 1228 NE2 GLN A 75 4.887 -13.119 -5.186 1.00 51.04 N flip ATOM 0 H GLN A 75 5.020 -17.638 -6.520 1.00 63.22 H new ATOM 0 HA GLN A 75 6.325 -17.185 -3.967 1.00 34.00 H new ATOM 0 HB2 GLN A 75 6.618 -14.946 -5.030 1.00 54.31 H new ATOM 0 HB3 GLN A 75 6.879 -16.186 -6.241 1.00 54.31 H new ATOM 0 HG2 GLN A 75 5.389 -14.739 -7.363 1.00 73.13 H new ATOM 0 HG3 GLN A 75 4.288 -15.938 -6.715 1.00 73.13 H new ATOM 0 HE21 GLN A 75 5.894 -13.049 -5.330 1.00 51.04 H new ATOM 0 HE22 GLN A 75 4.396 -12.397 -4.659 1.00 51.04 H new ATOM 1237 N ALA A 76 3.231 -16.397 -4.100 1.00 55.43 N ATOM 1238 CA ALA A 76 2.122 -15.832 -3.280 1.00 30.43 C ATOM 1239 C ALA A 76 1.759 -16.790 -2.144 1.00 75.20 C ATOM 1240 O ALA A 76 1.597 -16.388 -1.009 1.00 1.22 O ATOM 1241 CB ALA A 76 0.948 -15.679 -4.250 1.00 54.21 C ATOM 0 H ALA A 76 2.937 -16.938 -4.913 1.00 55.43 H new ATOM 0 HA ALA A 76 2.395 -14.883 -2.818 1.00 30.43 H new ATOM 0 HB1 ALA A 76 0.089 -15.267 -3.720 1.00 54.21 H new ATOM 0 HB2 ALA A 76 1.231 -15.007 -5.060 1.00 54.21 H new ATOM 0 HB3 ALA A 76 0.687 -16.654 -4.662 1.00 54.21 H new ATOM 1247 N LEU A 77 1.631 -18.055 -2.439 1.00 43.54 N ATOM 1248 CA LEU A 77 1.280 -19.033 -1.370 1.00 52.35 C ATOM 1249 C LEU A 77 2.499 -19.302 -0.482 1.00 44.23 C ATOM 1250 O LEU A 77 2.371 -19.696 0.660 1.00 40.33 O ATOM 1251 CB LEU A 77 0.868 -20.309 -2.109 1.00 42.30 C ATOM 1252 CG LEU A 77 -0.113 -19.967 -3.233 1.00 43.31 C ATOM 1253 CD1 LEU A 77 -0.709 -21.258 -3.797 1.00 55.33 C ATOM 1254 CD2 LEU A 77 -1.239 -19.088 -2.683 1.00 1.24 C ATOM 0 H LEU A 77 1.754 -18.453 -3.370 1.00 43.54 H new ATOM 0 HA LEU A 77 0.484 -18.664 -0.723 1.00 52.35 H new ATOM 0 HB2 LEU A 77 1.749 -20.802 -2.521 1.00 42.30 H new ATOM 0 HB3 LEU A 77 0.407 -21.010 -1.413 1.00 42.30 H new ATOM 0 HG LEU A 77 0.414 -19.430 -4.022 1.00 43.31 H new ATOM 0 HD11 LEU A 77 -1.408 -21.017 -4.598 1.00 55.33 H new ATOM 0 HD12 LEU A 77 0.090 -21.886 -4.190 1.00 55.33 H new ATOM 0 HD13 LEU A 77 -1.234 -21.792 -3.005 1.00 55.33 H new ATOM 0 HD21 LEU A 77 -1.936 -18.846 -3.485 1.00 1.24 H new ATOM 0 HD22 LEU A 77 -1.766 -19.624 -1.893 1.00 1.24 H new ATOM 0 HD23 LEU A 77 -0.818 -18.168 -2.278 1.00 1.24 H new ATOM 1266 N THR A 78 3.679 -19.092 -0.998 1.00 22.41 N ATOM 1267 CA THR A 78 4.900 -19.334 -0.181 1.00 53.21 C ATOM 1268 C THR A 78 5.220 -18.102 0.670 1.00 65.35 C ATOM 1269 O THR A 78 5.763 -18.207 1.752 1.00 20.22 O ATOM 1270 CB THR A 78 6.013 -19.593 -1.200 1.00 2.11 C ATOM 1271 OG1 THR A 78 7.128 -20.177 -0.542 1.00 44.33 O ATOM 1272 CG2 THR A 78 6.433 -18.273 -1.851 1.00 12.43 C ATOM 0 H THR A 78 3.850 -18.764 -1.949 1.00 22.41 H new ATOM 0 HA THR A 78 4.779 -20.170 0.508 1.00 53.21 H new ATOM 0 HB THR A 78 5.649 -20.273 -1.971 1.00 2.11 H new ATOM 0 HG1 THR A 78 7.841 -20.345 -1.193 1.00 44.33 H new ATOM 0 HG21 THR A 78 7.225 -18.461 -2.576 1.00 12.43 H new ATOM 0 HG22 THR A 78 5.576 -17.828 -2.357 1.00 12.43 H new ATOM 0 HG23 THR A 78 6.797 -17.589 -1.084 1.00 12.43 H new ATOM 1280 N GLU A 79 4.878 -16.933 0.195 1.00 41.23 N ATOM 1281 CA GLU A 79 5.155 -15.700 0.985 1.00 4.43 C ATOM 1282 C GLU A 79 3.924 -15.331 1.812 1.00 60.40 C ATOM 1283 O GLU A 79 4.022 -14.951 2.962 1.00 22.22 O ATOM 1284 CB GLU A 79 5.450 -14.615 -0.050 1.00 64.10 C ATOM 1285 CG GLU A 79 6.808 -14.880 -0.702 1.00 12.21 C ATOM 1286 CD GLU A 79 7.898 -14.141 0.073 1.00 2.11 C ATOM 1287 OE1 GLU A 79 8.394 -14.702 1.037 1.00 75.32 O ATOM 1288 OE2 GLU A 79 8.219 -13.029 -0.308 1.00 3.23 O ATOM 0 H GLU A 79 4.420 -16.780 -0.704 1.00 41.23 H new ATOM 0 HA GLU A 79 5.986 -15.829 1.678 1.00 4.43 H new ATOM 0 HB2 GLU A 79 4.668 -14.601 -0.809 1.00 64.10 H new ATOM 0 HB3 GLU A 79 5.450 -13.635 0.426 1.00 64.10 H new ATOM 0 HG2 GLU A 79 7.016 -15.950 -0.712 1.00 12.21 H new ATOM 0 HG3 GLU A 79 6.796 -14.548 -1.740 1.00 12.21 H new ATOM 1295 N GLN A 80 2.761 -15.446 1.232 1.00 52.10 N ATOM 1296 CA GLN A 80 1.514 -15.111 1.975 1.00 12.52 C ATOM 1297 C GLN A 80 0.721 -16.392 2.239 1.00 63.41 C ATOM 1298 O GLN A 80 0.509 -16.785 3.367 1.00 55.31 O ATOM 1299 CB GLN A 80 0.715 -14.182 1.055 1.00 21.33 C ATOM 1300 CG GLN A 80 1.657 -13.251 0.283 1.00 20.44 C ATOM 1301 CD GLN A 80 0.869 -12.528 -0.811 1.00 13.14 C ATOM 1302 OE1 GLN A 80 -0.001 -13.194 -1.522 1.00 10.50 O flip ATOM 1303 NE2 GLN A 80 1.049 -11.344 -1.024 1.00 22.35 N flip ATOM 0 H GLN A 80 2.621 -15.759 0.271 1.00 52.10 H new ATOM 0 HA GLN A 80 1.724 -14.639 2.935 1.00 12.52 H new ATOM 0 HB2 GLN A 80 0.125 -14.773 0.355 1.00 21.33 H new ATOM 0 HB3 GLN A 80 0.014 -13.592 1.645 1.00 21.33 H new ATOM 0 HG2 GLN A 80 2.108 -12.527 0.962 1.00 20.44 H new ATOM 0 HG3 GLN A 80 2.472 -13.824 -0.159 1.00 20.44 H new ATOM 0 HE21 GLN A 80 1.728 -10.823 -0.469 1.00 22.35 H new ATOM 0 HE22 GLN A 80 0.521 -10.872 -1.758 1.00 22.35 H new ATOM 1312 N GLY A 81 0.286 -17.042 1.194 1.00 0.43 N ATOM 1313 CA GLY A 81 -0.489 -18.301 1.370 1.00 45.13 C ATOM 1314 C GLY A 81 -1.762 -18.252 0.522 1.00 11.41 C ATOM 1315 O GLY A 81 -2.570 -19.160 0.552 1.00 44.23 O ATOM 0 H GLY A 81 0.434 -16.755 0.227 1.00 0.43 H new ATOM 0 HA2 GLY A 81 0.120 -19.157 1.078 1.00 45.13 H new ATOM 0 HA3 GLY A 81 -0.746 -18.436 2.421 1.00 45.13 H new ATOM 1319 N TYR A 82 -1.952 -17.207 -0.237 1.00 43.02 N ATOM 1320 CA TYR A 82 -3.182 -17.118 -1.084 1.00 71.23 C ATOM 1321 C TYR A 82 -2.937 -16.195 -2.280 1.00 53.11 C ATOM 1322 O TYR A 82 -2.268 -15.187 -2.177 1.00 40.31 O ATOM 1323 CB TYR A 82 -4.294 -16.530 -0.193 1.00 3.43 C ATOM 1324 CG TYR A 82 -3.985 -16.724 1.276 1.00 33.50 C ATOM 1325 CD1 TYR A 82 -2.979 -15.967 1.886 1.00 30.15 C ATOM 1326 CD2 TYR A 82 -4.707 -17.661 2.027 1.00 23.23 C ATOM 1327 CE1 TYR A 82 -2.696 -16.142 3.244 1.00 51.53 C ATOM 1328 CE2 TYR A 82 -4.424 -17.836 3.386 1.00 10.14 C ATOM 1329 CZ TYR A 82 -3.418 -17.078 3.995 1.00 65.21 C ATOM 1330 OH TYR A 82 -3.139 -17.250 5.335 1.00 11.25 O ATOM 0 H TYR A 82 -1.315 -16.414 -0.309 1.00 43.02 H new ATOM 0 HA TYR A 82 -3.459 -18.100 -1.469 1.00 71.23 H new ATOM 0 HB2 TYR A 82 -4.408 -15.467 -0.405 1.00 3.43 H new ATOM 0 HB3 TYR A 82 -5.244 -17.007 -0.433 1.00 3.43 H new ATOM 0 HD1 TYR A 82 -2.420 -15.246 1.307 1.00 30.15 H new ATOM 0 HD2 TYR A 82 -5.482 -18.248 1.557 1.00 23.23 H new ATOM 0 HE1 TYR A 82 -1.921 -15.555 3.714 1.00 51.53 H new ATOM 0 HE2 TYR A 82 -4.982 -18.557 3.965 1.00 10.14 H new ATOM 0 HH TYR A 82 -3.731 -17.936 5.707 1.00 11.25 H new ATOM 1340 N TYR A 83 -3.491 -16.528 -3.415 1.00 70.13 N ATOM 1341 CA TYR A 83 -3.311 -15.667 -4.619 1.00 64.01 C ATOM 1342 C TYR A 83 -4.642 -15.544 -5.363 1.00 14.13 C ATOM 1343 O TYR A 83 -5.278 -16.529 -5.674 1.00 52.32 O ATOM 1344 CB TYR A 83 -2.277 -16.386 -5.485 1.00 62.43 C ATOM 1345 CG TYR A 83 -2.124 -15.643 -6.791 1.00 44.25 C ATOM 1346 CD1 TYR A 83 -3.139 -15.707 -7.755 1.00 65.21 C ATOM 1347 CD2 TYR A 83 -0.971 -14.889 -7.037 1.00 72.33 C ATOM 1348 CE1 TYR A 83 -2.997 -15.016 -8.965 1.00 61.52 C ATOM 1349 CE2 TYR A 83 -0.830 -14.196 -8.245 1.00 45.11 C ATOM 1350 CZ TYR A 83 -1.842 -14.261 -9.209 1.00 3.43 C ATOM 1351 OH TYR A 83 -1.706 -13.578 -10.401 1.00 35.31 O ATOM 0 H TYR A 83 -4.062 -17.361 -3.560 1.00 70.13 H new ATOM 0 HA TYR A 83 -2.984 -14.659 -4.363 1.00 64.01 H new ATOM 0 HB2 TYR A 83 -1.320 -16.435 -4.966 1.00 62.43 H new ATOM 0 HB3 TYR A 83 -2.591 -17.413 -5.671 1.00 62.43 H new ATOM 0 HD1 TYR A 83 -4.029 -16.288 -7.565 1.00 65.21 H new ATOM 0 HD2 TYR A 83 -0.189 -14.842 -6.294 1.00 72.33 H new ATOM 0 HE1 TYR A 83 -3.778 -15.065 -9.710 1.00 61.52 H new ATOM 0 HE2 TYR A 83 0.059 -13.612 -8.433 1.00 45.11 H new ATOM 0 HH TYR A 83 -0.848 -13.104 -10.410 1.00 35.31 H new ATOM 1361 N LEU A 84 -5.074 -14.347 -5.644 1.00 64.44 N ATOM 1362 CA LEU A 84 -6.371 -14.181 -6.358 1.00 71.44 C ATOM 1363 C LEU A 84 -6.139 -13.788 -7.816 1.00 1.32 C ATOM 1364 O LEU A 84 -5.541 -12.772 -8.109 1.00 11.13 O ATOM 1365 CB LEU A 84 -7.095 -13.059 -5.614 1.00 75.24 C ATOM 1366 CG LEU A 84 -8.440 -12.783 -6.287 1.00 30.34 C ATOM 1367 CD1 LEU A 84 -9.257 -14.075 -6.349 1.00 45.24 C ATOM 1368 CD2 LEU A 84 -9.207 -11.735 -5.477 1.00 32.14 C ATOM 0 H LEU A 84 -4.589 -13.480 -5.412 1.00 64.44 H new ATOM 0 HA LEU A 84 -6.948 -15.106 -6.370 1.00 71.44 H new ATOM 0 HB2 LEU A 84 -7.249 -13.340 -4.572 1.00 75.24 H new ATOM 0 HB3 LEU A 84 -6.485 -12.156 -5.614 1.00 75.24 H new ATOM 0 HG LEU A 84 -8.271 -12.413 -7.298 1.00 30.34 H new ATOM 0 HD11 LEU A 84 -10.215 -13.877 -6.829 1.00 45.24 H new ATOM 0 HD12 LEU A 84 -8.711 -14.823 -6.924 1.00 45.24 H new ATOM 0 HD13 LEU A 84 -9.427 -14.447 -5.339 1.00 45.24 H new ATOM 0 HD21 LEU A 84 -10.166 -11.536 -5.955 1.00 32.14 H new ATOM 0 HD22 LEU A 84 -9.375 -12.108 -4.467 1.00 32.14 H new ATOM 0 HD23 LEU A 84 -8.626 -10.814 -5.432 1.00 32.14 H new ATOM 1380 N GLN A 85 -6.621 -14.583 -8.730 1.00 21.40 N ATOM 1381 CA GLN A 85 -6.442 -14.250 -10.169 1.00 54.24 C ATOM 1382 C GLN A 85 -7.693 -13.537 -10.687 1.00 32.13 C ATOM 1383 O GLN A 85 -8.805 -13.973 -10.457 1.00 31.22 O ATOM 1384 CB GLN A 85 -6.234 -15.600 -10.873 1.00 30.33 C ATOM 1385 CG GLN A 85 -7.590 -16.260 -11.157 1.00 75.12 C ATOM 1386 CD GLN A 85 -8.144 -15.771 -12.501 1.00 41.43 C ATOM 1387 OE1 GLN A 85 -7.591 -14.751 -13.106 1.00 13.23 O flip ATOM 1388 NE2 GLN A 85 -9.099 -16.326 -13.010 1.00 31.14 N flip ATOM 0 H GLN A 85 -7.130 -15.447 -8.543 1.00 21.40 H new ATOM 0 HA GLN A 85 -5.600 -13.582 -10.348 1.00 54.24 H new ATOM 0 HB2 GLN A 85 -5.690 -15.453 -11.806 1.00 30.33 H new ATOM 0 HB3 GLN A 85 -5.626 -16.255 -10.249 1.00 30.33 H new ATOM 0 HG2 GLN A 85 -7.479 -17.344 -11.174 1.00 75.12 H new ATOM 0 HG3 GLN A 85 -8.293 -16.024 -10.358 1.00 75.12 H new ATOM 0 HE21 GLN A 85 -9.535 -17.122 -12.544 1.00 31.14 H new ATOM 0 HE22 GLN A 85 -9.464 -15.996 -13.903 1.00 31.14 H new ATOM 1397 N LEU A 86 -7.525 -12.444 -11.378 1.00 62.52 N ATOM 1398 CA LEU A 86 -8.713 -11.710 -11.898 1.00 13.21 C ATOM 1399 C LEU A 86 -8.531 -11.376 -13.379 1.00 65.10 C ATOM 1400 O LEU A 86 -7.676 -10.591 -13.731 1.00 33.52 O ATOM 1401 CB LEU A 86 -8.773 -10.427 -11.071 1.00 33.24 C ATOM 1402 CG LEU A 86 -10.209 -10.187 -10.608 1.00 24.51 C ATOM 1403 CD1 LEU A 86 -11.102 -9.931 -11.823 1.00 53.33 C ATOM 1404 CD2 LEU A 86 -10.709 -11.421 -9.857 1.00 44.24 C ATOM 0 H LEU A 86 -6.621 -12.029 -11.604 1.00 62.52 H new ATOM 0 HA LEU A 86 -9.626 -12.299 -11.817 1.00 13.21 H new ATOM 0 HB2 LEU A 86 -8.110 -10.506 -10.209 1.00 33.24 H new ATOM 0 HB3 LEU A 86 -8.425 -9.582 -11.665 1.00 33.24 H new ATOM 0 HG LEU A 86 -10.241 -9.320 -9.948 1.00 24.51 H new ATOM 0 HD11 LEU A 86 -12.126 -9.760 -11.492 1.00 53.33 H new ATOM 0 HD12 LEU A 86 -10.743 -9.053 -12.360 1.00 53.33 H new ATOM 0 HD13 LEU A 86 -11.074 -10.797 -12.484 1.00 53.33 H new ATOM 0 HD21 LEU A 86 -11.734 -11.254 -9.525 1.00 44.24 H new ATOM 0 HD22 LEU A 86 -10.678 -12.287 -10.519 1.00 44.24 H new ATOM 0 HD23 LEU A 86 -10.072 -11.603 -8.992 1.00 44.24 H new