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 Single : A 16 CYS SG : rot -164:sc= -6.92! USER MOD Single : A 19 TYR OH : rot -30:sc= -2.55 USER MOD Single : A 21 SER OG : rot -29:sc= 1.6 USER MOD Single : A 22 SER OG : rot 180:sc= 0.21 USER MOD Single : A 23 LYS NZ :NH3+ 147:sc= -2.04 (180deg=-4.02!) USER MOD Single : A 26 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.021) USER MOD Single : A 27 THR OG1 : rot 70:sc= -6.09! 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+ 171:sc=-0.00446 (180deg=-0.0906) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 19:sc= 0.242! USER MOD Single : A 45 MET CE :methyl -128:sc= -4.44! (180deg=-6.78!) USER MOD Single : A 46 LYS NZ :NH3+ -156:sc= -0.352 (180deg=-1.24) USER MOD Single : A 50 GLN :FLIP amide:sc= -2.43! C(o=-4.3!,f=-2.4!) USER MOD Single : A 52 GLN : amide:sc= 0.385 K(o=0.38,f=-1.2) 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) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -173:sc= -0.421 (180deg=-0.495) USER MOD Single : A 75 GLN :FLIP amide:sc= -5.46! C(o=-8.3!,f=-5.5!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN :FLIP amide:sc= -0.0537 F(o=-0.99,f=-0.054) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -3.98 X(o=-4,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 214 N PHE A 15 0.575 -28.422 -3.001 1.00 44.32 N ATOM 215 CA PHE A 15 -0.819 -28.531 -3.519 1.00 54.21 C ATOM 216 C PHE A 15 -1.561 -27.208 -3.292 1.00 64.54 C ATOM 217 O PHE A 15 -1.363 -26.541 -2.295 1.00 41.43 O ATOM 218 CB PHE A 15 -1.444 -29.665 -2.695 1.00 64.51 C ATOM 219 CG PHE A 15 -2.942 -29.486 -2.615 1.00 30.31 C ATOM 220 CD1 PHE A 15 -3.483 -28.549 -1.727 1.00 32.35 C ATOM 221 CD2 PHE A 15 -3.785 -30.248 -3.427 1.00 34.31 C ATOM 222 CE1 PHE A 15 -4.867 -28.375 -1.653 1.00 10.32 C ATOM 223 CE2 PHE A 15 -5.170 -30.075 -3.353 1.00 2.24 C ATOM 224 CZ PHE A 15 -5.713 -29.137 -2.465 1.00 31.32 C ATOM 0 HA PHE A 15 -0.864 -28.735 -4.589 1.00 54.21 H new ATOM 0 HB2 PHE A 15 -1.209 -30.627 -3.150 1.00 64.51 H new ATOM 0 HB3 PHE A 15 -1.017 -29.674 -1.692 1.00 64.51 H new ATOM 0 HD1 PHE A 15 -2.830 -27.961 -1.099 1.00 32.35 H new ATOM 0 HD2 PHE A 15 -3.367 -30.971 -4.112 1.00 34.31 H new ATOM 0 HE1 PHE A 15 -5.284 -27.651 -0.968 1.00 10.32 H new ATOM 0 HE2 PHE A 15 -5.822 -30.665 -3.981 1.00 2.24 H new ATOM 0 HZ PHE A 15 -6.783 -29.003 -2.408 1.00 31.32 H new ATOM 234 N CYS A 16 -2.413 -26.823 -4.202 1.00 11.51 N ATOM 235 CA CYS A 16 -3.160 -25.546 -4.021 1.00 53.33 C ATOM 236 C CYS A 16 -4.642 -25.743 -4.361 1.00 14.52 C ATOM 237 O CYS A 16 -5.016 -26.669 -5.053 1.00 1.34 O ATOM 238 CB CYS A 16 -2.465 -24.532 -4.956 1.00 22.12 C ATOM 239 SG CYS A 16 -3.470 -24.154 -6.424 1.00 25.32 S ATOM 0 H CYS A 16 -2.624 -27.334 -5.059 1.00 11.51 H new ATOM 0 HA CYS A 16 -3.143 -25.189 -2.991 1.00 53.33 H new ATOM 0 HB2 CYS A 16 -2.265 -23.612 -4.407 1.00 22.12 H new ATOM 0 HB3 CYS A 16 -1.501 -24.931 -5.270 1.00 22.12 H new ATOM 0 HG CYS A 16 -2.726 -23.581 -7.323 1.00 25.32 H new ATOM 245 N VAL A 17 -5.486 -24.874 -3.877 1.00 40.33 N ATOM 246 CA VAL A 17 -6.944 -25.005 -4.168 1.00 61.10 C ATOM 247 C VAL A 17 -7.421 -23.799 -4.984 1.00 11.32 C ATOM 248 O VAL A 17 -7.208 -22.664 -4.612 1.00 14.13 O ATOM 249 CB VAL A 17 -7.639 -25.032 -2.804 1.00 41.20 C ATOM 250 CG1 VAL A 17 -8.989 -25.739 -2.933 1.00 4.40 C ATOM 251 CG2 VAL A 17 -6.774 -25.786 -1.785 1.00 71.12 C ATOM 0 H VAL A 17 -5.230 -24.078 -3.292 1.00 40.33 H new ATOM 0 HA VAL A 17 -7.165 -25.902 -4.747 1.00 61.10 H new ATOM 0 HB VAL A 17 -7.787 -24.007 -2.463 1.00 41.20 H new ATOM 0 HG11 VAL A 17 -9.484 -25.758 -1.962 1.00 4.40 H new ATOM 0 HG12 VAL A 17 -9.613 -25.203 -3.648 1.00 4.40 H new ATOM 0 HG13 VAL A 17 -8.833 -26.760 -3.281 1.00 4.40 H new ATOM 0 HG21 VAL A 17 -7.278 -25.799 -0.819 1.00 71.12 H new ATOM 0 HG22 VAL A 17 -6.618 -26.809 -2.127 1.00 71.12 H new ATOM 0 HG23 VAL A 17 -5.811 -25.286 -1.685 1.00 71.12 H new ATOM 261 N ILE A 18 -8.061 -24.038 -6.096 1.00 40.32 N ATOM 262 CA ILE A 18 -8.547 -22.904 -6.936 1.00 31.42 C ATOM 263 C ILE A 18 -10.011 -22.589 -6.615 1.00 44.14 C ATOM 264 O ILE A 18 -10.907 -23.333 -6.962 1.00 32.25 O ATOM 265 CB ILE A 18 -8.413 -23.390 -8.379 1.00 54.10 C ATOM 266 CG1 ILE A 18 -6.935 -23.380 -8.784 1.00 62.41 C ATOM 267 CG2 ILE A 18 -9.199 -22.462 -9.305 1.00 50.05 C ATOM 268 CD1 ILE A 18 -6.432 -24.819 -8.910 1.00 73.14 C ATOM 0 H ILE A 18 -8.269 -24.968 -6.460 1.00 40.32 H new ATOM 0 HA ILE A 18 -7.979 -21.991 -6.756 1.00 31.42 H new ATOM 0 HB ILE A 18 -8.807 -24.403 -8.459 1.00 54.10 H new ATOM 0 HG12 ILE A 18 -6.810 -22.855 -9.731 1.00 62.41 H new ATOM 0 HG13 ILE A 18 -6.347 -22.841 -8.041 1.00 62.41 H new ATOM 0 HG21 ILE A 18 -9.103 -22.809 -10.334 1.00 50.05 H new ATOM 0 HG22 ILE A 18 -10.250 -22.466 -9.017 1.00 50.05 H new ATOM 0 HG23 ILE A 18 -8.805 -21.449 -9.225 1.00 50.05 H new ATOM 0 HD11 ILE A 18 -5.381 -24.813 -9.198 1.00 73.14 H new ATOM 0 HD12 ILE A 18 -6.543 -25.328 -7.953 1.00 73.14 H new ATOM 0 HD13 ILE A 18 -7.013 -25.342 -9.669 1.00 73.14 H new ATOM 280 N TYR A 19 -10.259 -21.490 -5.959 1.00 30.41 N ATOM 281 CA TYR A 19 -11.666 -21.124 -5.624 1.00 72.01 C ATOM 282 C TYR A 19 -12.236 -20.207 -6.707 1.00 43.44 C ATOM 283 O TYR A 19 -11.509 -19.518 -7.393 1.00 13.52 O ATOM 284 CB TYR A 19 -11.579 -20.375 -4.294 1.00 21.03 C ATOM 285 CG TYR A 19 -11.355 -21.360 -3.170 1.00 55.14 C ATOM 286 CD1 TYR A 19 -12.449 -21.954 -2.529 1.00 30.52 C ATOM 287 CD2 TYR A 19 -10.050 -21.677 -2.768 1.00 1.42 C ATOM 288 CE1 TYR A 19 -12.239 -22.867 -1.487 1.00 72.32 C ATOM 289 CE2 TYR A 19 -9.842 -22.589 -1.727 1.00 1.25 C ATOM 290 CZ TYR A 19 -10.936 -23.184 -1.086 1.00 3.21 C ATOM 291 OH TYR A 19 -10.730 -24.084 -0.060 1.00 74.33 O ATOM 0 H TYR A 19 -9.550 -20.829 -5.640 1.00 30.41 H new ATOM 0 HA TYR A 19 -12.315 -21.997 -5.559 1.00 72.01 H new ATOM 0 HB2 TYR A 19 -10.764 -19.652 -4.325 1.00 21.03 H new ATOM 0 HB3 TYR A 19 -12.497 -19.813 -4.121 1.00 21.03 H new ATOM 0 HD1 TYR A 19 -13.454 -21.709 -2.838 1.00 30.52 H new ATOM 0 HD2 TYR A 19 -9.206 -21.218 -3.261 1.00 1.42 H new ATOM 0 HE1 TYR A 19 -13.083 -23.326 -0.993 1.00 72.32 H new ATOM 0 HE2 TYR A 19 -8.837 -22.834 -1.418 1.00 1.25 H new ATOM 0 HH TYR A 19 -11.481 -24.042 0.568 1.00 74.33 H new ATOM 301 N ARG A 20 -13.529 -20.190 -6.867 1.00 24.30 N ATOM 302 CA ARG A 20 -14.130 -19.309 -7.907 1.00 52.10 C ATOM 303 C ARG A 20 -15.198 -18.403 -7.286 1.00 64.55 C ATOM 304 O ARG A 20 -15.986 -18.818 -6.461 1.00 3.31 O ATOM 305 CB ARG A 20 -14.751 -20.260 -8.932 1.00 55.11 C ATOM 306 CG ARG A 20 -15.842 -21.098 -8.263 1.00 62.42 C ATOM 307 CD ARG A 20 -17.120 -21.036 -9.102 1.00 52.23 C ATOM 308 NE ARG A 20 -17.718 -22.397 -8.995 1.00 44.13 N ATOM 309 CZ ARG A 20 -18.474 -22.852 -9.956 1.00 54.14 C ATOM 310 NH1 ARG A 20 -18.146 -22.644 -11.200 1.00 24.02 N ATOM 311 NH2 ARG A 20 -19.560 -23.519 -9.670 1.00 50.32 N ATOM 0 H ARG A 20 -14.193 -20.744 -6.326 1.00 24.30 H new ATOM 0 HA ARG A 20 -13.391 -18.652 -8.365 1.00 52.10 H new ATOM 0 HB2 ARG A 20 -15.173 -19.692 -9.761 1.00 55.11 H new ATOM 0 HB3 ARG A 20 -13.983 -20.911 -9.350 1.00 55.11 H new ATOM 0 HG2 ARG A 20 -15.511 -22.131 -8.162 1.00 62.42 H new ATOM 0 HG3 ARG A 20 -16.036 -20.725 -7.257 1.00 62.42 H new ATOM 0 HD2 ARG A 20 -17.803 -20.274 -8.726 1.00 52.23 H new ATOM 0 HD3 ARG A 20 -16.900 -20.782 -10.139 1.00 52.23 H new ATOM 0 HE ARG A 20 -17.537 -22.972 -8.172 1.00 44.13 H new ATOM 0 HH11 ARG A 20 -17.297 -22.125 -11.424 1.00 24.02 H new ATOM 0 HH12 ARG A 20 -18.738 -23.000 -11.950 1.00 24.02 H new ATOM 0 HH21 ARG A 20 -19.816 -23.683 -8.696 1.00 50.32 H new ATOM 0 HH22 ARG A 20 -20.152 -23.875 -10.420 1.00 50.32 H new ATOM 325 N SER A 21 -15.220 -17.160 -7.674 1.00 12.53 N ATOM 326 CA SER A 21 -16.229 -16.217 -7.114 1.00 30.24 C ATOM 327 C SER A 21 -17.614 -16.524 -7.689 1.00 43.13 C ATOM 328 O SER A 21 -17.778 -16.704 -8.877 1.00 53.35 O ATOM 329 CB SER A 21 -15.762 -14.830 -7.556 1.00 12.20 C ATOM 330 OG SER A 21 -14.655 -14.430 -6.758 1.00 73.12 O ATOM 0 H SER A 21 -14.581 -16.754 -8.357 1.00 12.53 H new ATOM 0 HA SER A 21 -16.310 -16.294 -6.030 1.00 30.24 H new ATOM 0 HB2 SER A 21 -15.479 -14.847 -8.608 1.00 12.20 H new ATOM 0 HB3 SER A 21 -16.575 -14.111 -7.457 1.00 12.20 H new ATOM 0 HG SER A 21 -14.721 -14.847 -5.874 1.00 73.12 H new ATOM 336 N SER A 22 -18.613 -16.590 -6.851 1.00 12.43 N ATOM 337 CA SER A 22 -19.986 -16.891 -7.349 1.00 54.00 C ATOM 338 C SER A 22 -20.396 -15.885 -8.426 1.00 35.32 C ATOM 339 O SER A 22 -21.001 -16.237 -9.420 1.00 22.52 O ATOM 340 CB SER A 22 -20.888 -16.765 -6.121 1.00 30.13 C ATOM 341 OG SER A 22 -20.096 -16.862 -4.944 1.00 51.11 O ATOM 0 H SER A 22 -18.538 -16.449 -5.844 1.00 12.43 H new ATOM 0 HA SER A 22 -20.052 -17.880 -7.804 1.00 54.00 H new ATOM 0 HB2 SER A 22 -21.416 -15.812 -6.140 1.00 30.13 H new ATOM 0 HB3 SER A 22 -21.645 -17.549 -6.129 1.00 30.13 H new ATOM 0 HG SER A 22 -20.671 -16.780 -4.155 1.00 51.11 H new ATOM 347 N LYS A 23 -20.072 -14.633 -8.242 1.00 4.42 N ATOM 348 CA LYS A 23 -20.446 -13.612 -9.262 1.00 43.10 C ATOM 349 C LYS A 23 -19.274 -12.657 -9.510 1.00 43.30 C ATOM 350 O LYS A 23 -19.092 -11.682 -8.810 1.00 0.12 O ATOM 351 CB LYS A 23 -21.633 -12.861 -8.657 1.00 11.35 C ATOM 352 CG LYS A 23 -21.201 -12.182 -7.356 1.00 12.35 C ATOM 353 CD LYS A 23 -22.049 -12.706 -6.194 1.00 74.14 C ATOM 354 CE LYS A 23 -21.132 -13.267 -5.102 1.00 2.44 C ATOM 355 NZ LYS A 23 -20.044 -12.261 -4.957 1.00 1.15 N ATOM 0 H LYS A 23 -19.566 -14.274 -7.432 1.00 4.42 H new ATOM 0 HA LYS A 23 -20.697 -14.062 -10.223 1.00 43.10 H new ATOM 0 HB2 LYS A 23 -22.003 -12.117 -9.362 1.00 11.35 H new ATOM 0 HB3 LYS A 23 -22.453 -13.552 -8.463 1.00 11.35 H new ATOM 0 HG2 LYS A 23 -20.146 -12.377 -7.166 1.00 12.35 H new ATOM 0 HG3 LYS A 23 -21.315 -11.101 -7.443 1.00 12.35 H new ATOM 0 HD2 LYS A 23 -22.665 -11.903 -5.789 1.00 74.14 H new ATOM 0 HD3 LYS A 23 -22.728 -13.482 -6.547 1.00 74.14 H new ATOM 0 HE2 LYS A 23 -21.672 -13.402 -4.165 1.00 2.44 H new ATOM 0 HE3 LYS A 23 -20.733 -14.242 -5.384 1.00 2.44 H new ATOM 0 HZ1 LYS A 23 -19.728 -12.232 -3.967 1.00 1.15 H new ATOM 0 HZ2 LYS A 23 -19.244 -12.524 -5.568 1.00 1.15 H new ATOM 0 HZ3 LYS A 23 -20.399 -11.324 -5.235 1.00 1.15 H new ATOM 369 N ARG A 24 -18.481 -12.934 -10.509 1.00 73.12 N ATOM 370 CA ARG A 24 -17.320 -12.047 -10.810 1.00 2.43 C ATOM 371 C ARG A 24 -16.842 -12.272 -12.245 1.00 10.11 C ATOM 372 O ARG A 24 -17.358 -13.113 -12.956 1.00 0.31 O ATOM 373 CB ARG A 24 -16.238 -12.456 -9.809 1.00 25.51 C ATOM 374 CG ARG A 24 -16.320 -11.560 -8.572 1.00 63.41 C ATOM 375 CD ARG A 24 -14.955 -10.925 -8.309 1.00 25.12 C ATOM 376 NE ARG A 24 -15.227 -9.464 -8.206 1.00 2.34 N ATOM 377 CZ ARG A 24 -14.671 -8.635 -9.046 1.00 54.14 C ATOM 378 NH1 ARG A 24 -13.377 -8.468 -9.035 1.00 30.43 N ATOM 379 NH2 ARG A 24 -15.409 -7.973 -9.894 1.00 71.53 N ATOM 0 H ARG A 24 -18.586 -13.736 -11.130 1.00 73.12 H new ATOM 0 HA ARG A 24 -17.573 -10.990 -10.724 1.00 2.43 H new ATOM 0 HB2 ARG A 24 -16.368 -13.500 -9.524 1.00 25.51 H new ATOM 0 HB3 ARG A 24 -15.253 -12.371 -10.268 1.00 25.51 H new ATOM 0 HG2 ARG A 24 -17.071 -10.784 -8.721 1.00 63.41 H new ATOM 0 HG3 ARG A 24 -16.633 -12.145 -7.707 1.00 63.41 H new ATOM 0 HD2 ARG A 24 -14.510 -11.310 -7.391 1.00 25.12 H new ATOM 0 HD3 ARG A 24 -14.256 -11.141 -9.117 1.00 25.12 H new ATOM 0 HE ARG A 24 -15.848 -9.111 -7.478 1.00 2.34 H new ATOM 0 HH11 ARG A 24 -12.802 -8.985 -8.370 1.00 30.43 H new ATOM 0 HH12 ARG A 24 -12.941 -7.820 -9.691 1.00 30.43 H new ATOM 0 HH21 ARG A 24 -16.421 -8.104 -9.900 1.00 71.53 H new ATOM 0 HH22 ARG A 24 -14.974 -7.325 -10.551 1.00 71.53 H new ATOM 393 N ASP A 25 -15.861 -11.531 -12.677 1.00 12.53 N ATOM 394 CA ASP A 25 -15.355 -11.710 -14.068 1.00 22.45 C ATOM 395 C ASP A 25 -14.361 -12.872 -14.122 1.00 72.04 C ATOM 396 O ASP A 25 -13.192 -12.691 -14.401 1.00 71.11 O ATOM 397 CB ASP A 25 -14.661 -10.391 -14.410 1.00 2.03 C ATOM 398 CG ASP A 25 -15.605 -9.519 -15.240 1.00 65.31 C ATOM 399 OD1 ASP A 25 -16.679 -9.994 -15.574 1.00 71.43 O ATOM 400 OD2 ASP A 25 -15.240 -8.390 -15.527 1.00 4.31 O ATOM 0 H ASP A 25 -15.388 -10.811 -12.130 1.00 12.53 H new ATOM 0 HA ASP A 25 -16.153 -11.943 -14.772 1.00 22.45 H new ATOM 0 HB2 ASP A 25 -14.376 -9.870 -13.496 1.00 2.03 H new ATOM 0 HB3 ASP A 25 -13.743 -10.584 -14.966 1.00 2.03 H new ATOM 405 N GLN A 26 -14.819 -14.065 -13.854 1.00 0.33 N ATOM 406 CA GLN A 26 -13.904 -15.241 -13.888 1.00 12.22 C ATOM 407 C GLN A 26 -12.777 -15.061 -12.867 1.00 3.22 C ATOM 408 O GLN A 26 -11.625 -15.325 -13.147 1.00 62.42 O ATOM 409 CB GLN A 26 -13.341 -15.267 -15.309 1.00 53.25 C ATOM 410 CG GLN A 26 -14.119 -16.281 -16.150 1.00 43.43 C ATOM 411 CD GLN A 26 -15.107 -15.543 -17.056 1.00 64.01 C ATOM 412 OE1 GLN A 26 -16.296 -15.799 -17.014 1.00 72.32 O ATOM 413 NE2 GLN A 26 -14.665 -14.632 -17.878 1.00 72.14 N ATOM 0 H GLN A 26 -15.787 -14.276 -13.613 1.00 0.33 H new ATOM 0 HA GLN A 26 -14.416 -16.170 -13.637 1.00 12.22 H new ATOM 0 HB2 GLN A 26 -13.412 -14.276 -15.758 1.00 53.25 H new ATOM 0 HB3 GLN A 26 -12.284 -15.532 -15.288 1.00 53.25 H new ATOM 0 HG2 GLN A 26 -13.431 -16.874 -16.752 1.00 43.43 H new ATOM 0 HG3 GLN A 26 -14.653 -16.974 -15.500 1.00 43.43 H new ATOM 0 HE21 GLN A 26 -13.668 -14.417 -17.913 1.00 72.14 H new ATOM 0 HE22 GLN A 26 -15.316 -14.134 -18.485 1.00 72.14 H new ATOM 422 N THR A 27 -13.102 -14.613 -11.684 1.00 4.03 N ATOM 423 CA THR A 27 -12.052 -14.418 -10.643 1.00 64.14 C ATOM 424 C THR A 27 -11.835 -15.720 -9.867 1.00 63.35 C ATOM 425 O THR A 27 -12.776 -16.405 -9.517 1.00 44.41 O ATOM 426 CB THR A 27 -12.611 -13.334 -9.719 1.00 33.04 C ATOM 427 OG1 THR A 27 -12.557 -12.077 -10.379 1.00 41.35 O ATOM 428 CG2 THR A 27 -11.779 -13.279 -8.437 1.00 52.41 C ATOM 0 H THR A 27 -14.050 -14.374 -11.393 1.00 4.03 H new ATOM 0 HA THR A 27 -11.090 -14.135 -11.071 1.00 64.14 H new ATOM 0 HB THR A 27 -13.646 -13.566 -9.468 1.00 33.04 H new ATOM 0 HG1 THR A 27 -13.211 -12.062 -11.108 1.00 41.35 H new ATOM 0 HG21 THR A 27 -12.176 -12.507 -7.778 1.00 52.41 H new ATOM 0 HG22 THR A 27 -11.823 -14.244 -7.933 1.00 52.41 H new ATOM 0 HG23 THR A 27 -10.743 -13.046 -8.685 1.00 52.41 H new ATOM 436 N TYR A 28 -10.608 -16.070 -9.594 1.00 54.04 N ATOM 437 CA TYR A 28 -10.355 -17.334 -8.841 1.00 2.13 C ATOM 438 C TYR A 28 -9.274 -17.126 -7.777 1.00 64.51 C ATOM 439 O TYR A 28 -8.273 -16.479 -8.010 1.00 41.53 O ATOM 440 CB TYR A 28 -9.881 -18.336 -9.891 1.00 5.22 C ATOM 441 CG TYR A 28 -11.043 -18.735 -10.768 1.00 25.14 C ATOM 442 CD1 TYR A 28 -11.553 -17.827 -11.703 1.00 51.40 C ATOM 443 CD2 TYR A 28 -11.608 -20.009 -10.643 1.00 13.24 C ATOM 444 CE1 TYR A 28 -12.631 -18.194 -12.516 1.00 51.42 C ATOM 445 CE2 TYR A 28 -12.686 -20.375 -11.456 1.00 44.20 C ATOM 446 CZ TYR A 28 -13.200 -19.468 -12.393 1.00 22.32 C ATOM 447 OH TYR A 28 -14.263 -19.829 -13.193 1.00 13.43 O ATOM 0 H TYR A 28 -9.776 -15.542 -9.856 1.00 54.04 H new ATOM 0 HA TYR A 28 -11.247 -17.678 -8.317 1.00 2.13 H new ATOM 0 HB2 TYR A 28 -9.089 -17.896 -10.497 1.00 5.22 H new ATOM 0 HB3 TYR A 28 -9.460 -19.216 -9.405 1.00 5.22 H new ATOM 0 HD1 TYR A 28 -11.115 -16.844 -11.797 1.00 51.40 H new ATOM 0 HD2 TYR A 28 -11.213 -20.708 -9.921 1.00 13.24 H new ATOM 0 HE1 TYR A 28 -13.025 -17.495 -13.239 1.00 51.42 H new ATOM 0 HE2 TYR A 28 -13.123 -21.358 -11.362 1.00 44.20 H new ATOM 0 HH TYR A 28 -14.536 -20.746 -12.980 1.00 13.43 H new ATOM 457 N LEU A 29 -9.469 -17.684 -6.614 1.00 12.04 N ATOM 458 CA LEU A 29 -8.452 -17.533 -5.535 1.00 52.40 C ATOM 459 C LEU A 29 -7.604 -18.801 -5.435 1.00 32.24 C ATOM 460 O LEU A 29 -8.045 -19.882 -5.767 1.00 43.24 O ATOM 461 CB LEU A 29 -9.264 -17.330 -4.255 1.00 45.31 C ATOM 462 CG LEU A 29 -9.107 -15.888 -3.775 1.00 61.51 C ATOM 463 CD1 LEU A 29 -9.826 -15.717 -2.435 1.00 12.20 C ATOM 464 CD2 LEU A 29 -7.621 -15.566 -3.600 1.00 42.12 C ATOM 0 H LEU A 29 -10.288 -18.238 -6.364 1.00 12.04 H new ATOM 0 HA LEU A 29 -7.768 -16.705 -5.720 1.00 52.40 H new ATOM 0 HB2 LEU A 29 -10.315 -17.550 -4.440 1.00 45.31 H new ATOM 0 HB3 LEU A 29 -8.924 -18.020 -3.483 1.00 45.31 H new ATOM 0 HG LEU A 29 -9.541 -15.211 -4.511 1.00 61.51 H new ATOM 0 HD11 LEU A 29 -9.715 -14.689 -2.091 1.00 12.20 H new ATOM 0 HD12 LEU A 29 -10.885 -15.946 -2.558 1.00 12.20 H new ATOM 0 HD13 LEU A 29 -9.391 -16.394 -1.700 1.00 12.20 H new ATOM 0 HD21 LEU A 29 -7.510 -14.537 -3.258 1.00 42.12 H new ATOM 0 HD22 LEU A 29 -7.186 -16.242 -2.864 1.00 42.12 H new ATOM 0 HD23 LEU A 29 -7.107 -15.689 -4.554 1.00 42.12 H new ATOM 476 N TYR A 30 -6.386 -18.677 -4.981 1.00 35.12 N ATOM 477 CA TYR A 30 -5.513 -19.878 -4.862 1.00 30.42 C ATOM 478 C TYR A 30 -4.883 -19.939 -3.470 1.00 71.42 C ATOM 479 O TYR A 30 -4.444 -18.943 -2.933 1.00 24.11 O ATOM 480 CB TYR A 30 -4.435 -19.686 -5.928 1.00 10.35 C ATOM 481 CG TYR A 30 -5.036 -19.883 -7.297 1.00 32.33 C ATOM 482 CD1 TYR A 30 -5.958 -18.955 -7.797 1.00 43.15 C ATOM 483 CD2 TYR A 30 -4.672 -20.993 -8.068 1.00 23.31 C ATOM 484 CE1 TYR A 30 -6.517 -19.136 -9.067 1.00 44.41 C ATOM 485 CE2 TYR A 30 -5.230 -21.175 -9.339 1.00 23.15 C ATOM 486 CZ TYR A 30 -6.152 -20.246 -9.838 1.00 51.43 C ATOM 487 OH TYR A 30 -6.703 -20.425 -11.092 1.00 2.14 O ATOM 0 H TYR A 30 -5.959 -17.798 -4.688 1.00 35.12 H new ATOM 0 HA TYR A 30 -6.066 -20.807 -5.000 1.00 30.42 H new ATOM 0 HB2 TYR A 30 -4.005 -18.688 -5.849 1.00 10.35 H new ATOM 0 HB3 TYR A 30 -3.623 -20.396 -5.771 1.00 10.35 H new ATOM 0 HD1 TYR A 30 -6.238 -18.099 -7.202 1.00 43.15 H new ATOM 0 HD2 TYR A 30 -3.961 -21.709 -7.683 1.00 23.31 H new ATOM 0 HE1 TYR A 30 -7.229 -18.421 -9.452 1.00 44.41 H new ATOM 0 HE2 TYR A 30 -4.950 -22.031 -9.935 1.00 23.15 H new ATOM 0 HH TYR A 30 -6.343 -21.243 -11.494 1.00 2.14 H new ATOM 497 N VAL A 31 -4.828 -21.105 -2.889 1.00 62.42 N ATOM 498 CA VAL A 31 -4.220 -21.235 -1.533 1.00 22.15 C ATOM 499 C VAL A 31 -3.511 -22.581 -1.406 1.00 71.42 C ATOM 500 O VAL A 31 -3.875 -23.545 -2.045 1.00 32.14 O ATOM 501 CB VAL A 31 -5.378 -21.149 -0.527 1.00 13.31 C ATOM 502 CG1 VAL A 31 -5.557 -19.696 -0.095 1.00 70.51 C ATOM 503 CG2 VAL A 31 -6.679 -21.658 -1.160 1.00 61.20 C ATOM 0 H VAL A 31 -5.177 -21.974 -3.293 1.00 62.42 H new ATOM 0 HA VAL A 31 -3.482 -20.453 -1.352 1.00 22.15 H new ATOM 0 HB VAL A 31 -5.145 -21.771 0.337 1.00 13.31 H new ATOM 0 HG11 VAL A 31 -6.377 -19.627 0.619 1.00 70.51 H new ATOM 0 HG12 VAL A 31 -4.639 -19.339 0.372 1.00 70.51 H new ATOM 0 HG13 VAL A 31 -5.783 -19.082 -0.967 1.00 70.51 H new ATOM 0 HG21 VAL A 31 -7.488 -21.590 -0.433 1.00 61.20 H new ATOM 0 HG22 VAL A 31 -6.922 -21.050 -2.032 1.00 61.20 H new ATOM 0 HG23 VAL A 31 -6.553 -22.697 -1.466 1.00 61.20 H new ATOM 513 N GLU A 32 -2.503 -22.652 -0.583 1.00 41.51 N ATOM 514 CA GLU A 32 -1.774 -23.939 -0.417 1.00 54.30 C ATOM 515 C GLU A 32 -2.733 -25.023 0.078 1.00 41.12 C ATOM 516 O GLU A 32 -2.455 -26.202 -0.012 1.00 34.21 O ATOM 517 CB GLU A 32 -0.692 -23.655 0.627 1.00 32.00 C ATOM 518 CG GLU A 32 -1.348 -23.259 1.950 1.00 21.51 C ATOM 519 CD GLU A 32 -0.360 -23.484 3.096 1.00 64.53 C ATOM 520 OE1 GLU A 32 0.423 -24.413 3.001 1.00 64.13 O ATOM 521 OE2 GLU A 32 -0.406 -22.725 4.051 1.00 21.22 O ATOM 0 H GLU A 32 -2.153 -21.877 -0.020 1.00 41.51 H new ATOM 0 HA GLU A 32 -1.345 -24.297 -1.353 1.00 54.30 H new ATOM 0 HB2 GLU A 32 -0.068 -24.538 0.768 1.00 32.00 H new ATOM 0 HB3 GLU A 32 -0.038 -22.855 0.280 1.00 32.00 H new ATOM 0 HG2 GLU A 32 -1.653 -22.213 1.918 1.00 21.51 H new ATOM 0 HG3 GLU A 32 -2.250 -23.849 2.112 1.00 21.51 H new ATOM 528 N LYS A 33 -3.866 -24.632 0.595 1.00 33.01 N ATOM 529 CA LYS A 33 -4.849 -25.636 1.089 1.00 73.14 C ATOM 530 C LYS A 33 -6.235 -24.993 1.204 1.00 34.14 C ATOM 531 O LYS A 33 -6.389 -23.798 1.054 1.00 3.13 O ATOM 532 CB LYS A 33 -4.316 -26.075 2.462 1.00 35.11 C ATOM 533 CG LYS A 33 -4.760 -25.086 3.543 1.00 53.52 C ATOM 534 CD LYS A 33 -3.858 -25.233 4.771 1.00 63.54 C ATOM 535 CE LYS A 33 -2.925 -24.024 4.868 1.00 12.42 C ATOM 536 NZ LYS A 33 -3.428 -23.244 6.032 1.00 71.51 N ATOM 0 H LYS A 33 -4.153 -23.659 0.696 1.00 33.01 H new ATOM 0 HA LYS A 33 -4.957 -26.488 0.418 1.00 73.14 H new ATOM 0 HB2 LYS A 33 -4.682 -27.074 2.700 1.00 35.11 H new ATOM 0 HB3 LYS A 33 -3.228 -26.132 2.436 1.00 35.11 H new ATOM 0 HG2 LYS A 33 -4.709 -24.066 3.161 1.00 53.52 H new ATOM 0 HG3 LYS A 33 -5.798 -25.272 3.817 1.00 53.52 H new ATOM 0 HD2 LYS A 33 -4.464 -25.311 5.673 1.00 63.54 H new ATOM 0 HD3 LYS A 33 -3.275 -26.151 4.699 1.00 63.54 H new ATOM 0 HE2 LYS A 33 -1.891 -24.334 5.018 1.00 12.42 H new ATOM 0 HE3 LYS A 33 -2.951 -23.431 3.954 1.00 12.42 H new ATOM 0 HZ1 LYS A 33 -2.754 -22.485 6.258 1.00 71.51 H new ATOM 0 HZ2 LYS A 33 -4.352 -22.829 5.798 1.00 71.51 H new ATOM 0 HZ3 LYS A 33 -3.529 -23.873 6.854 1.00 71.51 H new ATOM 550 N LYS A 34 -7.244 -25.776 1.465 1.00 5.21 N ATOM 551 CA LYS A 34 -8.617 -25.209 1.585 1.00 70.20 C ATOM 552 C LYS A 34 -8.901 -24.809 3.036 1.00 61.04 C ATOM 553 O LYS A 34 -9.807 -25.323 3.661 1.00 1.45 O ATOM 554 CB LYS A 34 -9.549 -26.340 1.144 1.00 23.13 C ATOM 555 CG LYS A 34 -9.440 -27.508 2.127 1.00 31.22 C ATOM 556 CD LYS A 34 -8.629 -28.641 1.492 1.00 21.11 C ATOM 557 CE LYS A 34 -9.266 -29.989 1.848 1.00 65.33 C ATOM 558 NZ LYS A 34 -8.171 -30.776 2.484 1.00 33.31 N ATOM 0 H LYS A 34 -7.178 -26.785 1.601 1.00 5.21 H new ATOM 0 HA LYS A 34 -8.750 -24.312 0.980 1.00 70.20 H new ATOM 0 HB2 LYS A 34 -10.578 -25.982 1.102 1.00 23.13 H new ATOM 0 HB3 LYS A 34 -9.286 -26.671 0.139 1.00 23.13 H new ATOM 0 HG2 LYS A 34 -8.961 -27.177 3.049 1.00 31.22 H new ATOM 0 HG3 LYS A 34 -10.434 -27.865 2.395 1.00 31.22 H new ATOM 0 HD2 LYS A 34 -8.597 -28.517 0.410 1.00 21.11 H new ATOM 0 HD3 LYS A 34 -7.599 -28.608 1.847 1.00 21.11 H new ATOM 0 HE2 LYS A 34 -10.107 -29.861 2.529 1.00 65.33 H new ATOM 0 HE3 LYS A 34 -9.649 -30.492 0.960 1.00 65.33 H new ATOM 0 HZ1 LYS A 34 -8.530 -31.713 2.756 1.00 33.31 H new ATOM 0 HZ2 LYS A 34 -7.387 -30.888 1.810 1.00 33.31 H new ATOM 0 HZ3 LYS A 34 -7.831 -30.277 3.330 1.00 33.31 H new ATOM 572 N ASP A 35 -8.132 -23.904 3.581 1.00 13.42 N ATOM 573 CA ASP A 35 -8.365 -23.490 4.997 1.00 31.21 C ATOM 574 C ASP A 35 -9.080 -22.138 5.070 1.00 54.51 C ATOM 575 O ASP A 35 -10.240 -22.059 5.423 1.00 74.11 O ATOM 576 CB ASP A 35 -6.968 -23.380 5.609 1.00 21.24 C ATOM 577 CG ASP A 35 -6.861 -24.312 6.819 1.00 64.20 C ATOM 578 OD1 ASP A 35 -7.351 -25.425 6.729 1.00 71.02 O ATOM 579 OD2 ASP A 35 -6.293 -23.893 7.813 1.00 54.00 O ATOM 0 H ASP A 35 -7.357 -23.436 3.111 1.00 13.42 H new ATOM 0 HA ASP A 35 -8.999 -24.203 5.523 1.00 31.21 H new ATOM 0 HB2 ASP A 35 -6.214 -23.643 4.867 1.00 21.24 H new ATOM 0 HB3 ASP A 35 -6.773 -22.351 5.912 1.00 21.24 H new ATOM 584 N ASP A 36 -8.396 -21.070 4.755 1.00 63.33 N ATOM 585 CA ASP A 36 -9.045 -19.728 4.827 1.00 4.13 C ATOM 586 C ASP A 36 -8.199 -18.674 4.109 1.00 12.41 C ATOM 587 O ASP A 36 -7.087 -18.927 3.690 1.00 53.23 O ATOM 588 CB ASP A 36 -9.134 -19.404 6.316 1.00 72.23 C ATOM 589 CG ASP A 36 -10.502 -19.825 6.853 1.00 71.10 C ATOM 590 OD1 ASP A 36 -11.479 -19.620 6.150 1.00 50.43 O ATOM 591 OD2 ASP A 36 -10.552 -20.343 7.957 1.00 73.05 O ATOM 0 H ASP A 36 -7.422 -21.068 4.453 1.00 63.33 H new ATOM 0 HA ASP A 36 -10.023 -19.730 4.345 1.00 4.13 H new ATOM 0 HB2 ASP A 36 -8.344 -19.923 6.859 1.00 72.23 H new ATOM 0 HB3 ASP A 36 -8.983 -18.336 6.476 1.00 72.23 H new ATOM 596 N PHE A 37 -8.726 -17.490 3.975 1.00 22.33 N ATOM 597 CA PHE A 37 -7.976 -16.393 3.300 1.00 10.33 C ATOM 598 C PHE A 37 -7.832 -15.207 4.260 1.00 0.54 C ATOM 599 O PHE A 37 -8.763 -14.460 4.478 1.00 53.32 O ATOM 600 CB PHE A 37 -8.841 -16.007 2.103 1.00 15.11 C ATOM 601 CG PHE A 37 -8.647 -17.008 0.988 1.00 61.43 C ATOM 602 CD1 PHE A 37 -9.448 -18.154 0.931 1.00 41.31 C ATOM 603 CD2 PHE A 37 -7.667 -16.787 0.012 1.00 62.31 C ATOM 604 CE1 PHE A 37 -9.271 -19.081 -0.102 1.00 61.24 C ATOM 605 CE2 PHE A 37 -7.491 -17.715 -1.022 1.00 22.23 C ATOM 606 CZ PHE A 37 -8.291 -18.859 -1.080 1.00 44.22 C ATOM 0 H PHE A 37 -9.655 -17.232 4.308 1.00 22.33 H new ATOM 0 HA PHE A 37 -6.973 -16.692 2.997 1.00 10.33 H new ATOM 0 HB2 PHE A 37 -9.890 -15.974 2.396 1.00 15.11 H new ATOM 0 HB3 PHE A 37 -8.575 -15.008 1.758 1.00 15.11 H new ATOM 0 HD1 PHE A 37 -10.203 -18.323 1.685 1.00 41.31 H new ATOM 0 HD2 PHE A 37 -7.048 -15.903 0.057 1.00 62.31 H new ATOM 0 HE1 PHE A 37 -9.888 -19.966 -0.146 1.00 61.24 H new ATOM 0 HE2 PHE A 37 -6.736 -17.546 -1.776 1.00 22.23 H new ATOM 0 HZ PHE A 37 -8.154 -19.573 -1.879 1.00 44.22 H new ATOM 616 N SER A 38 -6.678 -15.042 4.848 1.00 34.03 N ATOM 617 CA SER A 38 -6.484 -13.915 5.808 1.00 44.21 C ATOM 618 C SER A 38 -5.541 -12.859 5.225 1.00 2.42 C ATOM 619 O SER A 38 -5.360 -11.800 5.789 1.00 63.14 O ATOM 620 CB SER A 38 -5.866 -14.560 7.045 1.00 51.23 C ATOM 621 OG SER A 38 -4.966 -13.641 7.654 1.00 41.12 O ATOM 0 H SER A 38 -5.862 -15.637 4.706 1.00 34.03 H new ATOM 0 HA SER A 38 -7.420 -13.403 6.032 1.00 44.21 H new ATOM 0 HB2 SER A 38 -6.647 -14.843 7.750 1.00 51.23 H new ATOM 0 HB3 SER A 38 -5.340 -15.473 6.768 1.00 51.23 H new ATOM 0 HG SER A 38 -5.165 -12.733 7.343 1.00 41.12 H new ATOM 627 N ARG A 39 -4.939 -13.133 4.102 1.00 52.31 N ATOM 628 CA ARG A 39 -4.011 -12.134 3.498 1.00 53.13 C ATOM 629 C ARG A 39 -4.764 -11.256 2.503 1.00 51.42 C ATOM 630 O ARG A 39 -4.397 -10.126 2.255 1.00 62.34 O ATOM 631 CB ARG A 39 -2.948 -12.953 2.772 1.00 3.21 C ATOM 632 CG ARG A 39 -1.894 -12.013 2.184 1.00 43.54 C ATOM 633 CD ARG A 39 -2.111 -11.890 0.672 1.00 31.35 C ATOM 634 NE ARG A 39 -2.051 -10.430 0.391 1.00 14.22 N ATOM 635 CZ ARG A 39 -2.232 -9.992 -0.826 1.00 64.12 C ATOM 636 NH1 ARG A 39 -2.019 -10.783 -1.844 1.00 72.43 N ATOM 637 NH2 ARG A 39 -2.625 -8.764 -1.025 1.00 10.42 N ATOM 0 H ARG A 39 -5.048 -14.001 3.577 1.00 52.31 H new ATOM 0 HA ARG A 39 -3.575 -11.477 4.250 1.00 53.13 H new ATOM 0 HB2 ARG A 39 -2.480 -13.655 3.462 1.00 3.21 H new ATOM 0 HB3 ARG A 39 -3.407 -13.543 1.979 1.00 3.21 H new ATOM 0 HG2 ARG A 39 -1.963 -11.032 2.654 1.00 43.54 H new ATOM 0 HG3 ARG A 39 -0.894 -12.395 2.389 1.00 43.54 H new ATOM 0 HD2 ARG A 39 -1.343 -12.430 0.118 1.00 31.35 H new ATOM 0 HD3 ARG A 39 -3.072 -12.310 0.376 1.00 31.35 H new ATOM 0 HE ARG A 39 -1.869 -9.772 1.148 1.00 14.22 H new ATOM 0 HH11 ARG A 39 -1.711 -11.743 -1.688 1.00 72.43 H new ATOM 0 HH12 ARG A 39 -2.161 -10.441 -2.794 1.00 72.43 H new ATOM 0 HH21 ARG A 39 -2.791 -8.146 -0.230 1.00 10.42 H new ATOM 0 HH22 ARG A 39 -2.766 -8.421 -1.975 1.00 10.42 H new ATOM 651 N VAL A 40 -5.813 -11.769 1.927 1.00 30.32 N ATOM 652 CA VAL A 40 -6.583 -10.965 0.947 1.00 24.21 C ATOM 653 C VAL A 40 -7.217 -9.762 1.648 1.00 22.15 C ATOM 654 O VAL A 40 -7.733 -9.880 2.741 1.00 44.13 O ATOM 655 CB VAL A 40 -7.661 -11.909 0.418 1.00 3.32 C ATOM 656 CG1 VAL A 40 -8.662 -12.214 1.531 1.00 11.34 C ATOM 657 CG2 VAL A 40 -8.389 -11.245 -0.753 1.00 75.30 C ATOM 0 H VAL A 40 -6.169 -12.710 2.094 1.00 30.32 H new ATOM 0 HA VAL A 40 -5.958 -10.576 0.143 1.00 24.21 H new ATOM 0 HB VAL A 40 -7.198 -12.837 0.081 1.00 3.32 H new ATOM 0 HG11 VAL A 40 -9.431 -12.888 1.154 1.00 11.34 H new ATOM 0 HG12 VAL A 40 -8.145 -12.686 2.366 1.00 11.34 H new ATOM 0 HG13 VAL A 40 -9.125 -11.287 1.868 1.00 11.34 H new ATOM 0 HG21 VAL A 40 -9.159 -11.918 -1.131 1.00 75.30 H new ATOM 0 HG22 VAL A 40 -8.852 -10.318 -0.415 1.00 75.30 H new ATOM 0 HG23 VAL A 40 -7.676 -11.026 -1.548 1.00 75.30 H new ATOM 667 N PRO A 41 -7.157 -8.641 0.988 1.00 14.24 N ATOM 668 CA PRO A 41 -7.731 -7.394 1.548 1.00 71.44 C ATOM 669 C PRO A 41 -9.258 -7.474 1.563 1.00 51.33 C ATOM 670 O PRO A 41 -9.881 -7.853 0.591 1.00 0.53 O ATOM 671 CB PRO A 41 -7.245 -6.313 0.584 1.00 1.22 C ATOM 672 CG PRO A 41 -6.985 -7.035 -0.699 1.00 71.40 C ATOM 673 CD PRO A 41 -6.559 -8.431 -0.332 1.00 45.23 C ATOM 0 HA PRO A 41 -7.429 -7.202 2.578 1.00 71.44 H new ATOM 0 HB2 PRO A 41 -7.995 -5.533 0.454 1.00 1.22 H new ATOM 0 HB3 PRO A 41 -6.342 -5.829 0.955 1.00 1.22 H new ATOM 0 HG2 PRO A 41 -7.880 -7.055 -1.320 1.00 71.40 H new ATOM 0 HG3 PRO A 41 -6.208 -6.532 -1.275 1.00 71.40 H new ATOM 0 HD2 PRO A 41 -6.919 -9.163 -1.055 1.00 45.23 H new ATOM 0 HD3 PRO A 41 -5.473 -8.523 -0.299 1.00 45.23 H new ATOM 681 N GLU A 42 -9.867 -7.124 2.660 1.00 14.31 N ATOM 682 CA GLU A 42 -11.353 -7.185 2.742 1.00 30.05 C ATOM 683 C GLU A 42 -11.980 -6.343 1.626 1.00 60.05 C ATOM 684 O GLU A 42 -13.147 -6.477 1.319 1.00 3.02 O ATOM 685 CB GLU A 42 -11.694 -6.606 4.113 1.00 12.52 C ATOM 686 CG GLU A 42 -12.573 -7.594 4.881 1.00 74.52 C ATOM 687 CD GLU A 42 -13.907 -6.930 5.226 1.00 42.15 C ATOM 688 OE1 GLU A 42 -13.895 -5.985 5.996 1.00 1.13 O ATOM 689 OE2 GLU A 42 -14.919 -7.378 4.713 1.00 35.00 O ATOM 0 H GLU A 42 -9.399 -6.797 3.506 1.00 14.31 H new ATOM 0 HA GLU A 42 -11.735 -8.199 2.622 1.00 30.05 H new ATOM 0 HB2 GLU A 42 -10.780 -6.406 4.672 1.00 12.52 H new ATOM 0 HB3 GLU A 42 -12.213 -5.654 3.999 1.00 12.52 H new ATOM 0 HG2 GLU A 42 -12.744 -8.487 4.281 1.00 74.52 H new ATOM 0 HG3 GLU A 42 -12.068 -7.914 5.792 1.00 74.52 H new ATOM 696 N GLU A 43 -11.214 -5.482 1.012 1.00 51.13 N ATOM 697 CA GLU A 43 -11.773 -4.642 -0.085 1.00 61.11 C ATOM 698 C GLU A 43 -11.981 -5.497 -1.335 1.00 73.41 C ATOM 699 O GLU A 43 -12.972 -5.376 -2.028 1.00 22.42 O ATOM 700 CB GLU A 43 -10.716 -3.568 -0.343 1.00 42.33 C ATOM 701 CG GLU A 43 -10.711 -2.566 0.813 1.00 23.34 C ATOM 702 CD GLU A 43 -12.013 -1.763 0.795 1.00 31.15 C ATOM 703 OE1 GLU A 43 -12.223 -1.037 -0.164 1.00 50.41 O ATOM 704 OE2 GLU A 43 -12.777 -1.885 1.738 1.00 11.43 O ATOM 0 H GLU A 43 -10.228 -5.324 1.222 1.00 51.13 H new ATOM 0 HA GLU A 43 -12.738 -4.206 0.175 1.00 61.11 H new ATOM 0 HB2 GLU A 43 -9.733 -4.028 -0.444 1.00 42.33 H new ATOM 0 HB3 GLU A 43 -10.926 -3.055 -1.282 1.00 42.33 H new ATOM 0 HG2 GLU A 43 -10.607 -3.090 1.763 1.00 23.34 H new ATOM 0 HG3 GLU A 43 -9.856 -1.896 0.724 1.00 23.34 H new ATOM 711 N LEU A 44 -11.052 -6.364 -1.623 1.00 73.32 N ATOM 712 CA LEU A 44 -11.188 -7.238 -2.821 1.00 60.45 C ATOM 713 C LEU A 44 -12.023 -8.470 -2.475 1.00 34.31 C ATOM 714 O LEU A 44 -12.952 -8.821 -3.176 1.00 1.00 O ATOM 715 CB LEU A 44 -9.759 -7.640 -3.175 1.00 13.23 C ATOM 716 CG LEU A 44 -9.648 -7.856 -4.686 1.00 50.10 C ATOM 717 CD1 LEU A 44 -8.341 -7.249 -5.198 1.00 54.20 C ATOM 718 CD2 LEU A 44 -9.661 -9.353 -4.979 1.00 33.42 C ATOM 0 H LEU A 44 -10.201 -6.506 -1.078 1.00 73.32 H new ATOM 0 HA LEU A 44 -11.687 -6.737 -3.650 1.00 60.45 H new ATOM 0 HB2 LEU A 44 -9.062 -6.865 -2.856 1.00 13.23 H new ATOM 0 HB3 LEU A 44 -9.485 -8.553 -2.646 1.00 13.23 H new ATOM 0 HG LEU A 44 -10.488 -7.374 -5.186 1.00 50.10 H new ATOM 0 HD11 LEU A 44 -8.265 -7.404 -6.274 1.00 54.20 H new ATOM 0 HD12 LEU A 44 -8.328 -6.180 -4.984 1.00 54.20 H new ATOM 0 HD13 LEU A 44 -7.498 -7.729 -4.701 1.00 54.20 H new ATOM 0 HD21 LEU A 44 -9.582 -9.514 -6.054 1.00 33.42 H new ATOM 0 HD22 LEU A 44 -8.818 -9.829 -4.478 1.00 33.42 H new ATOM 0 HD23 LEU A 44 -10.592 -9.787 -4.614 1.00 33.42 H new ATOM 730 N MET A 45 -11.704 -9.132 -1.392 1.00 33.32 N ATOM 731 CA MET A 45 -12.488 -10.338 -1.000 1.00 71.15 C ATOM 732 C MET A 45 -13.971 -9.979 -0.888 1.00 51.23 C ATOM 733 O MET A 45 -14.836 -10.820 -1.031 1.00 31.25 O ATOM 734 CB MET A 45 -11.928 -10.754 0.359 1.00 40.34 C ATOM 735 CG MET A 45 -12.804 -11.855 0.957 1.00 12.52 C ATOM 736 SD MET A 45 -11.814 -12.867 2.088 1.00 41.20 S ATOM 737 CE MET A 45 -11.390 -14.175 0.910 1.00 54.13 C ATOM 0 H MET A 45 -10.937 -8.889 -0.765 1.00 33.32 H new ATOM 0 HA MET A 45 -12.408 -11.143 -1.731 1.00 71.15 H new ATOM 0 HB2 MET A 45 -10.904 -11.110 0.249 1.00 40.34 H new ATOM 0 HB3 MET A 45 -11.897 -9.895 1.030 1.00 40.34 H new ATOM 0 HG2 MET A 45 -13.647 -11.415 1.489 1.00 12.52 H new ATOM 0 HG3 MET A 45 -13.218 -12.477 0.163 1.00 12.52 H new ATOM 0 HE1 MET A 45 -11.640 -15.146 1.339 1.00 54.13 H new ATOM 0 HE2 MET A 45 -11.952 -14.030 -0.012 1.00 54.13 H new ATOM 0 HE3 MET A 45 -10.322 -14.138 0.694 1.00 54.13 H new ATOM 747 N LYS A 46 -14.270 -8.733 -0.633 1.00 22.40 N ATOM 748 CA LYS A 46 -15.699 -8.323 -0.516 1.00 51.52 C ATOM 749 C LYS A 46 -16.487 -8.850 -1.716 1.00 1.02 C ATOM 750 O LYS A 46 -17.596 -9.330 -1.580 1.00 32.43 O ATOM 751 CB LYS A 46 -15.674 -6.792 -0.519 1.00 63.42 C ATOM 752 CG LYS A 46 -16.455 -6.270 0.688 1.00 2.31 C ATOM 753 CD LYS A 46 -17.125 -4.945 0.324 1.00 35.12 C ATOM 754 CE LYS A 46 -18.565 -5.207 -0.131 1.00 42.04 C ATOM 755 NZ LYS A 46 -18.466 -5.466 -1.594 1.00 22.21 N ATOM 0 H LYS A 46 -13.590 -7.985 -0.501 1.00 22.40 H new ATOM 0 HA LYS A 46 -16.175 -8.718 0.381 1.00 51.52 H new ATOM 0 HB2 LYS A 46 -14.645 -6.434 -0.483 1.00 63.42 H new ATOM 0 HB3 LYS A 46 -16.112 -6.412 -1.442 1.00 63.42 H new ATOM 0 HG2 LYS A 46 -17.206 -6.999 0.992 1.00 2.31 H new ATOM 0 HG3 LYS A 46 -15.785 -6.130 1.536 1.00 2.31 H new ATOM 0 HD2 LYS A 46 -17.120 -4.275 1.184 1.00 35.12 H new ATOM 0 HD3 LYS A 46 -16.566 -4.449 -0.470 1.00 35.12 H new ATOM 0 HE2 LYS A 46 -18.995 -6.061 0.393 1.00 42.04 H new ATOM 0 HE3 LYS A 46 -19.206 -4.350 0.076 1.00 42.04 H new ATOM 0 HZ1 LYS A 46 -19.378 -5.254 -2.047 1.00 22.21 H new ATOM 0 HZ2 LYS A 46 -17.727 -4.861 -2.004 1.00 22.21 H new ATOM 0 HZ3 LYS A 46 -18.224 -6.465 -1.754 1.00 22.21 H new ATOM 769 N GLY A 47 -15.920 -8.770 -2.888 1.00 20.25 N ATOM 770 CA GLY A 47 -16.633 -9.276 -4.094 1.00 62.15 C ATOM 771 C GLY A 47 -16.715 -10.799 -4.021 1.00 13.02 C ATOM 772 O GLY A 47 -17.742 -11.391 -4.291 1.00 12.04 O ATOM 0 H GLY A 47 -14.995 -8.377 -3.062 1.00 20.25 H new ATOM 0 HA2 GLY A 47 -17.634 -8.847 -4.147 1.00 62.15 H new ATOM 0 HA3 GLY A 47 -16.107 -8.970 -4.998 1.00 62.15 H new ATOM 776 N PHE A 48 -15.642 -11.440 -3.649 1.00 72.22 N ATOM 777 CA PHE A 48 -15.655 -12.925 -3.546 1.00 30.52 C ATOM 778 C PHE A 48 -16.664 -13.363 -2.483 1.00 60.33 C ATOM 779 O PHE A 48 -17.485 -14.231 -2.708 1.00 13.21 O ATOM 780 CB PHE A 48 -14.234 -13.307 -3.129 1.00 14.42 C ATOM 781 CG PHE A 48 -13.761 -14.479 -3.957 1.00 24.30 C ATOM 782 CD1 PHE A 48 -14.607 -15.575 -4.168 1.00 4.22 C ATOM 783 CD2 PHE A 48 -12.474 -14.471 -4.510 1.00 10.41 C ATOM 784 CE1 PHE A 48 -14.168 -16.661 -4.934 1.00 40.00 C ATOM 785 CE2 PHE A 48 -12.034 -15.559 -5.275 1.00 63.11 C ATOM 786 CZ PHE A 48 -12.882 -16.654 -5.487 1.00 71.53 C ATOM 0 H PHE A 48 -14.754 -10.997 -3.411 1.00 72.22 H new ATOM 0 HA PHE A 48 -15.945 -13.405 -4.481 1.00 30.52 H new ATOM 0 HB2 PHE A 48 -13.564 -12.458 -3.265 1.00 14.42 H new ATOM 0 HB3 PHE A 48 -14.212 -13.564 -2.070 1.00 14.42 H new ATOM 0 HD1 PHE A 48 -15.598 -15.582 -3.740 1.00 4.22 H new ATOM 0 HD2 PHE A 48 -11.821 -13.626 -4.347 1.00 10.41 H new ATOM 0 HE1 PHE A 48 -14.822 -17.505 -5.099 1.00 40.00 H new ATOM 0 HE2 PHE A 48 -11.042 -15.554 -5.701 1.00 63.11 H new ATOM 0 HZ PHE A 48 -12.543 -17.493 -6.077 1.00 71.53 H new ATOM 796 N GLY A 49 -16.611 -12.766 -1.324 1.00 34.12 N ATOM 797 CA GLY A 49 -17.561 -13.139 -0.243 1.00 3.34 C ATOM 798 C GLY A 49 -17.417 -14.628 0.067 1.00 33.33 C ATOM 799 O GLY A 49 -16.587 -15.030 0.858 1.00 64.24 O ATOM 0 H GLY A 49 -15.946 -12.032 -1.080 1.00 34.12 H new ATOM 0 HA2 GLY A 49 -17.361 -12.549 0.651 1.00 3.34 H new ATOM 0 HA3 GLY A 49 -18.583 -12.917 -0.549 1.00 3.34 H new ATOM 803 N GLN A 50 -18.211 -15.451 -0.559 1.00 3.05 N ATOM 804 CA GLN A 50 -18.111 -16.913 -0.302 1.00 30.11 C ATOM 805 C GLN A 50 -17.545 -17.621 -1.535 1.00 12.30 C ATOM 806 O GLN A 50 -18.228 -17.790 -2.525 1.00 55.21 O ATOM 807 CB GLN A 50 -19.543 -17.372 -0.027 1.00 13.24 C ATOM 808 CG GLN A 50 -19.755 -17.500 1.483 1.00 32.34 C ATOM 809 CD GLN A 50 -19.737 -16.108 2.119 1.00 42.14 C ATOM 810 OE1 GLN A 50 -18.594 -15.507 2.310 1.00 22.15 O flip ATOM 811 NE2 GLN A 50 -20.772 -15.564 2.446 1.00 21.24 N flip ATOM 0 H GLN A 50 -18.923 -15.175 -1.235 1.00 3.05 H new ATOM 0 HA GLN A 50 -17.448 -17.143 0.532 1.00 30.11 H new ATOM 0 HB2 GLN A 50 -20.252 -16.658 -0.446 1.00 13.24 H new ATOM 0 HB3 GLN A 50 -19.730 -18.329 -0.514 1.00 13.24 H new ATOM 0 HG2 GLN A 50 -20.705 -17.993 1.687 1.00 32.34 H new ATOM 0 HG3 GLN A 50 -18.973 -18.121 1.920 1.00 32.34 H new ATOM 0 HE21 GLN A 50 -21.665 -16.034 2.296 1.00 21.24 H new ATOM 0 HE22 GLN A 50 -20.749 -14.637 2.870 1.00 21.24 H new ATOM 820 N PRO A 51 -16.304 -18.006 -1.432 1.00 15.30 N ATOM 821 CA PRO A 51 -15.628 -18.703 -2.554 1.00 4.11 C ATOM 822 C PRO A 51 -16.185 -20.118 -2.719 1.00 52.02 C ATOM 823 O PRO A 51 -16.803 -20.661 -1.824 1.00 0.21 O ATOM 824 CB PRO A 51 -14.163 -18.733 -2.124 1.00 13.44 C ATOM 825 CG PRO A 51 -14.194 -18.635 -0.632 1.00 11.15 C ATOM 826 CD PRO A 51 -15.422 -17.837 -0.272 1.00 72.13 C ATOM 0 HA PRO A 51 -15.772 -18.212 -3.516 1.00 4.11 H new ATOM 0 HB2 PRO A 51 -13.675 -19.652 -2.449 1.00 13.44 H new ATOM 0 HB3 PRO A 51 -13.606 -17.905 -2.562 1.00 13.44 H new ATOM 0 HG2 PRO A 51 -14.231 -19.626 -0.180 1.00 11.15 H new ATOM 0 HG3 PRO A 51 -13.293 -18.148 -0.258 1.00 11.15 H new ATOM 0 HD2 PRO A 51 -15.887 -18.209 0.641 1.00 72.13 H new ATOM 0 HD3 PRO A 51 -15.181 -16.788 -0.102 1.00 72.13 H new ATOM 834 N GLN A 52 -15.970 -20.720 -3.858 1.00 52.21 N ATOM 835 CA GLN A 52 -16.490 -22.100 -4.080 1.00 43.02 C ATOM 836 C GLN A 52 -15.381 -23.001 -4.628 1.00 12.51 C ATOM 837 O GLN A 52 -14.490 -22.553 -5.322 1.00 14.32 O ATOM 838 CB GLN A 52 -17.608 -21.944 -5.113 1.00 31.30 C ATOM 839 CG GLN A 52 -18.496 -20.756 -4.731 1.00 12.21 C ATOM 840 CD GLN A 52 -19.264 -21.085 -3.451 1.00 52.41 C ATOM 841 OE1 GLN A 52 -19.748 -22.188 -3.285 1.00 60.22 O ATOM 842 NE2 GLN A 52 -19.398 -20.169 -2.532 1.00 2.23 N ATOM 0 H GLN A 52 -15.458 -20.317 -4.643 1.00 52.21 H new ATOM 0 HA GLN A 52 -16.847 -22.557 -3.157 1.00 43.02 H new ATOM 0 HB2 GLN A 52 -17.182 -21.789 -6.104 1.00 31.30 H new ATOM 0 HB3 GLN A 52 -18.203 -22.856 -5.161 1.00 31.30 H new ATOM 0 HG2 GLN A 52 -17.886 -19.865 -4.583 1.00 12.21 H new ATOM 0 HG3 GLN A 52 -19.193 -20.534 -5.539 1.00 12.21 H new ATOM 0 HE21 GLN A 52 -18.992 -19.244 -2.671 1.00 2.23 H new ATOM 0 HE22 GLN A 52 -19.909 -20.378 -1.674 1.00 2.23 H new ATOM 851 N LEU A 53 -15.431 -24.270 -4.324 1.00 0.51 N ATOM 852 CA LEU A 53 -14.380 -25.198 -4.830 1.00 72.50 C ATOM 853 C LEU A 53 -14.743 -25.677 -6.238 1.00 44.23 C ATOM 854 O LEU A 53 -15.482 -26.627 -6.408 1.00 3.32 O ATOM 855 CB LEU A 53 -14.379 -26.368 -3.847 1.00 60.12 C ATOM 856 CG LEU A 53 -12.939 -26.761 -3.517 1.00 32.00 C ATOM 857 CD1 LEU A 53 -12.263 -27.319 -4.771 1.00 71.04 C ATOM 858 CD2 LEU A 53 -12.173 -25.531 -3.031 1.00 72.41 C ATOM 0 H LEU A 53 -16.153 -24.703 -3.748 1.00 0.51 H new ATOM 0 HA LEU A 53 -13.401 -24.724 -4.896 1.00 72.50 H new ATOM 0 HB2 LEU A 53 -14.909 -26.091 -2.936 1.00 60.12 H new ATOM 0 HB3 LEU A 53 -14.909 -27.218 -4.277 1.00 60.12 H new ATOM 0 HG LEU A 53 -12.940 -27.521 -2.735 1.00 32.00 H new ATOM 0 HD11 LEU A 53 -11.236 -27.599 -4.537 1.00 71.04 H new ATOM 0 HD12 LEU A 53 -12.808 -28.196 -5.119 1.00 71.04 H new ATOM 0 HD13 LEU A 53 -12.262 -26.559 -5.553 1.00 71.04 H new ATOM 0 HD21 LEU A 53 -11.146 -25.811 -2.796 1.00 72.41 H new ATOM 0 HD22 LEU A 53 -12.172 -24.771 -3.812 1.00 72.41 H new ATOM 0 HD23 LEU A 53 -12.654 -25.132 -2.138 1.00 72.41 H new ATOM 870 N ALA A 54 -14.228 -25.030 -7.246 1.00 5.20 N ATOM 871 CA ALA A 54 -14.544 -25.449 -8.642 1.00 42.41 C ATOM 872 C ALA A 54 -13.407 -26.306 -9.208 1.00 74.41 C ATOM 873 O ALA A 54 -13.607 -27.111 -10.095 1.00 35.12 O ATOM 874 CB ALA A 54 -14.678 -24.146 -9.429 1.00 20.40 C ATOM 0 H ALA A 54 -13.602 -24.229 -7.165 1.00 5.20 H new ATOM 0 HA ALA A 54 -15.451 -26.051 -8.696 1.00 42.41 H new ATOM 0 HB1 ALA A 54 -14.911 -24.372 -10.470 1.00 20.40 H new ATOM 0 HB2 ALA A 54 -15.478 -23.543 -9.001 1.00 20.40 H new ATOM 0 HB3 ALA A 54 -13.740 -23.593 -9.379 1.00 20.40 H new ATOM 880 N MET A 55 -12.216 -26.134 -8.705 1.00 10.51 N ATOM 881 CA MET A 55 -11.071 -26.939 -9.219 1.00 31.14 C ATOM 882 C MET A 55 -9.983 -27.060 -8.148 1.00 70.32 C ATOM 883 O MET A 55 -9.642 -26.102 -7.481 1.00 4.10 O ATOM 884 CB MET A 55 -10.554 -26.159 -10.428 1.00 10.23 C ATOM 885 CG MET A 55 -10.495 -27.086 -11.646 1.00 60.22 C ATOM 886 SD MET A 55 -8.991 -28.090 -11.568 1.00 2.41 S ATOM 887 CE MET A 55 -8.684 -28.181 -13.349 1.00 13.33 C ATOM 0 H MET A 55 -11.986 -25.473 -7.963 1.00 10.51 H new ATOM 0 HA MET A 55 -11.365 -27.955 -9.484 1.00 31.14 H new ATOM 0 HB2 MET A 55 -11.208 -25.311 -10.634 1.00 10.23 H new ATOM 0 HB3 MET A 55 -9.564 -25.754 -10.217 1.00 10.23 H new ATOM 0 HG2 MET A 55 -11.374 -27.730 -11.669 1.00 60.22 H new ATOM 0 HG3 MET A 55 -10.506 -26.499 -12.564 1.00 60.22 H new ATOM 0 HE1 MET A 55 -7.784 -28.767 -13.534 1.00 13.33 H new ATOM 0 HE2 MET A 55 -9.533 -28.655 -13.841 1.00 13.33 H new ATOM 0 HE3 MET A 55 -8.550 -27.175 -13.747 1.00 13.33 H new ATOM 897 N ILE A 56 -9.439 -28.233 -7.977 1.00 61.33 N ATOM 898 CA ILE A 56 -8.375 -28.427 -6.947 1.00 2.13 C ATOM 899 C ILE A 56 -7.040 -28.770 -7.622 1.00 15.33 C ATOM 900 O ILE A 56 -6.978 -29.602 -8.505 1.00 55.23 O ATOM 901 CB ILE A 56 -8.864 -29.598 -6.096 1.00 35.32 C ATOM 902 CG1 ILE A 56 -10.047 -29.141 -5.236 1.00 40.11 C ATOM 903 CG2 ILE A 56 -7.732 -30.083 -5.189 1.00 70.03 C ATOM 904 CD1 ILE A 56 -10.458 -30.275 -4.294 1.00 50.52 C ATOM 0 H ILE A 56 -9.685 -29.069 -8.507 1.00 61.33 H new ATOM 0 HA ILE A 56 -8.206 -27.531 -6.350 1.00 2.13 H new ATOM 0 HB ILE A 56 -9.178 -30.413 -6.748 1.00 35.32 H new ATOM 0 HG12 ILE A 56 -9.773 -28.257 -4.661 1.00 40.11 H new ATOM 0 HG13 ILE A 56 -10.886 -28.860 -5.872 1.00 40.11 H new ATOM 0 HG21 ILE A 56 -8.084 -30.918 -4.583 1.00 70.03 H new ATOM 0 HG22 ILE A 56 -6.890 -30.407 -5.800 1.00 70.03 H new ATOM 0 HG23 ILE A 56 -7.415 -29.270 -4.536 1.00 70.03 H new ATOM 0 HD11 ILE A 56 -11.300 -29.952 -3.681 1.00 50.52 H new ATOM 0 HD12 ILE A 56 -10.749 -31.147 -4.880 1.00 50.52 H new ATOM 0 HD13 ILE A 56 -9.618 -30.535 -3.649 1.00 50.52 H new ATOM 916 N LEU A 57 -5.977 -28.133 -7.214 1.00 21.24 N ATOM 917 CA LEU A 57 -4.649 -28.418 -7.835 1.00 11.43 C ATOM 918 C LEU A 57 -3.841 -29.371 -6.946 1.00 32.04 C ATOM 919 O LEU A 57 -3.577 -29.073 -5.798 1.00 72.31 O ATOM 920 CB LEU A 57 -3.957 -27.056 -7.927 1.00 42.22 C ATOM 921 CG LEU A 57 -2.448 -27.250 -8.100 1.00 62.15 C ATOM 922 CD1 LEU A 57 -2.185 -28.265 -9.213 1.00 33.24 C ATOM 923 CD2 LEU A 57 -1.802 -25.915 -8.475 1.00 14.03 C ATOM 0 H LEU A 57 -5.969 -27.427 -6.478 1.00 21.24 H new ATOM 0 HA LEU A 57 -4.743 -28.897 -8.810 1.00 11.43 H new ATOM 0 HB2 LEU A 57 -4.359 -26.490 -8.768 1.00 42.22 H new ATOM 0 HB3 LEU A 57 -4.157 -26.475 -7.027 1.00 42.22 H new ATOM 0 HG LEU A 57 -2.023 -27.615 -7.165 1.00 62.15 H new ATOM 0 HD11 LEU A 57 -1.110 -28.402 -9.334 1.00 33.24 H new ATOM 0 HD12 LEU A 57 -2.645 -29.218 -8.952 1.00 33.24 H new ATOM 0 HD13 LEU A 57 -2.612 -27.900 -10.147 1.00 33.24 H new ATOM 0 HD21 LEU A 57 -0.728 -26.053 -8.598 1.00 14.03 H new ATOM 0 HD22 LEU A 57 -2.231 -25.553 -9.409 1.00 14.03 H new ATOM 0 HD23 LEU A 57 -1.986 -25.187 -7.685 1.00 14.03 H new ATOM 935 N PRO A 58 -3.468 -30.489 -7.510 1.00 74.31 N ATOM 936 CA PRO A 58 -2.672 -31.491 -6.758 1.00 2.23 C ATOM 937 C PRO A 58 -1.239 -30.990 -6.541 1.00 42.43 C ATOM 938 O PRO A 58 -0.890 -29.889 -6.910 1.00 71.34 O ATOM 939 CB PRO A 58 -2.689 -32.718 -7.667 1.00 32.21 C ATOM 940 CG PRO A 58 -2.917 -32.173 -9.042 1.00 30.53 C ATOM 941 CD PRO A 58 -3.747 -30.927 -8.884 1.00 33.21 C ATOM 0 HA PRO A 58 -3.072 -31.696 -5.765 1.00 2.23 H new ATOM 0 HB2 PRO A 58 -1.748 -33.266 -7.610 1.00 32.21 H new ATOM 0 HB3 PRO A 58 -3.480 -33.412 -7.380 1.00 32.21 H new ATOM 0 HG2 PRO A 58 -1.969 -31.947 -9.530 1.00 30.53 H new ATOM 0 HG3 PRO A 58 -3.431 -32.903 -9.667 1.00 30.53 H new ATOM 0 HD2 PRO A 58 -3.466 -30.165 -9.611 1.00 33.21 H new ATOM 0 HD3 PRO A 58 -4.807 -31.132 -9.030 1.00 33.21 H new ATOM 949 N LEU A 59 -0.409 -31.804 -5.945 1.00 24.24 N ATOM 950 CA LEU A 59 1.009 -31.396 -5.699 1.00 34.12 C ATOM 951 C LEU A 59 1.955 -32.328 -6.452 1.00 15.31 C ATOM 952 O LEU A 59 2.638 -33.141 -5.864 1.00 65.11 O ATOM 953 CB LEU A 59 1.236 -31.520 -4.188 1.00 1.42 C ATOM 954 CG LEU A 59 0.438 -32.694 -3.607 1.00 1.15 C ATOM 955 CD1 LEU A 59 1.028 -34.017 -4.096 1.00 20.11 C ATOM 956 CD2 LEU A 59 0.508 -32.645 -2.080 1.00 73.32 C ATOM 0 H LEU A 59 -0.651 -32.738 -5.616 1.00 24.24 H new ATOM 0 HA LEU A 59 1.199 -30.380 -6.045 1.00 34.12 H new ATOM 0 HB2 LEU A 59 2.298 -31.662 -3.987 1.00 1.42 H new ATOM 0 HB3 LEU A 59 0.939 -30.594 -3.695 1.00 1.42 H new ATOM 0 HG LEU A 59 -0.599 -32.620 -3.934 1.00 1.15 H new ATOM 0 HD11 LEU A 59 0.456 -34.846 -3.679 1.00 20.11 H new ATOM 0 HD12 LEU A 59 0.983 -34.055 -5.184 1.00 20.11 H new ATOM 0 HD13 LEU A 59 2.066 -34.094 -3.773 1.00 20.11 H new ATOM 0 HD21 LEU A 59 -0.058 -33.478 -1.663 1.00 73.32 H new ATOM 0 HD22 LEU A 59 1.548 -32.717 -1.761 1.00 73.32 H new ATOM 0 HD23 LEU A 59 0.084 -31.705 -1.726 1.00 73.32 H new ATOM 1090 N ASN A 67 -6.539 -20.406 -16.505 1.00 25.32 N ATOM 1091 CA ASN A 67 -6.756 -18.953 -16.255 1.00 71.22 C ATOM 1092 C ASN A 67 -5.541 -18.335 -15.553 1.00 70.11 C ATOM 1093 O ASN A 67 -5.042 -17.303 -15.957 1.00 11.52 O ATOM 1094 CB ASN A 67 -7.986 -18.892 -15.350 1.00 61.34 C ATOM 1095 CG ASN A 67 -9.178 -19.532 -16.064 1.00 62.02 C ATOM 1096 OD1 ASN A 67 -9.670 -19.005 -17.039 1.00 15.23 O ATOM 1097 ND2 ASN A 67 -9.666 -20.655 -15.611 1.00 63.35 N ATOM 0 HA ASN A 67 -6.896 -18.395 -17.181 1.00 71.22 H new ATOM 0 HB2 ASN A 67 -7.787 -19.413 -14.413 1.00 61.34 H new ATOM 0 HB3 ASN A 67 -8.213 -17.856 -15.097 1.00 61.34 H new ATOM 0 HD21 ASN A 67 -10.462 -21.090 -16.077 1.00 63.35 H new ATOM 0 HD22 ASN A 67 -9.251 -21.097 -14.791 1.00 63.35 H new ATOM 1104 N ALA A 68 -5.065 -18.945 -14.502 1.00 41.33 N ATOM 1105 CA ALA A 68 -3.889 -18.371 -13.782 1.00 62.51 C ATOM 1106 C ALA A 68 -2.660 -19.262 -13.954 1.00 71.01 C ATOM 1107 O ALA A 68 -2.766 -20.452 -14.173 1.00 63.13 O ATOM 1108 CB ALA A 68 -4.311 -18.323 -12.315 1.00 32.44 C ATOM 0 H ALA A 68 -5.436 -19.811 -14.111 1.00 41.33 H new ATOM 0 HA ALA A 68 -3.617 -17.388 -14.166 1.00 62.51 H new ATOM 0 HB1 ALA A 68 -3.499 -17.912 -11.716 1.00 32.44 H new ATOM 0 HB2 ALA A 68 -5.194 -17.692 -12.211 1.00 32.44 H new ATOM 0 HB3 ALA A 68 -4.542 -19.331 -11.970 1.00 32.44 H new ATOM 1114 N ASP A 69 -1.493 -18.693 -13.846 1.00 63.45 N ATOM 1115 CA ASP A 69 -0.255 -19.506 -13.991 1.00 70.33 C ATOM 1116 C ASP A 69 0.154 -20.067 -12.629 1.00 52.33 C ATOM 1117 O ASP A 69 0.570 -19.348 -11.745 1.00 20.51 O ATOM 1118 CB ASP A 69 0.801 -18.532 -14.513 1.00 30.25 C ATOM 1119 CG ASP A 69 0.318 -17.909 -15.825 1.00 60.31 C ATOM 1120 OD1 ASP A 69 -0.857 -18.041 -16.121 1.00 15.23 O ATOM 1121 OD2 ASP A 69 1.133 -17.311 -16.508 1.00 25.11 O ATOM 0 H ASP A 69 -1.343 -17.701 -13.664 1.00 63.45 H new ATOM 0 HA ASP A 69 -0.386 -20.354 -14.663 1.00 70.33 H new ATOM 0 HB2 ASP A 69 0.988 -17.752 -13.775 1.00 30.25 H new ATOM 0 HB3 ASP A 69 1.745 -19.053 -14.672 1.00 30.25 H new ATOM 1126 N ILE A 70 0.031 -21.351 -12.457 1.00 42.15 N ATOM 1127 CA ILE A 70 0.404 -21.972 -11.155 1.00 70.14 C ATOM 1128 C ILE A 70 1.742 -21.403 -10.663 1.00 35.31 C ATOM 1129 O ILE A 70 1.935 -21.177 -9.485 1.00 14.10 O ATOM 1130 CB ILE A 70 0.488 -23.483 -11.454 1.00 21.11 C ATOM 1131 CG1 ILE A 70 -0.236 -24.255 -10.350 1.00 41.44 C ATOM 1132 CG2 ILE A 70 1.948 -23.952 -11.528 1.00 24.12 C ATOM 1133 CD1 ILE A 70 0.331 -23.857 -8.988 1.00 4.12 C ATOM 0 H ILE A 70 -0.313 -22.001 -13.164 1.00 42.15 H new ATOM 0 HA ILE A 70 -0.314 -21.768 -10.361 1.00 70.14 H new ATOM 0 HB ILE A 70 0.017 -23.671 -12.419 1.00 21.11 H new ATOM 0 HG12 ILE A 70 -1.305 -24.044 -10.386 1.00 41.44 H new ATOM 0 HG13 ILE A 70 -0.118 -25.327 -10.505 1.00 41.44 H new ATOM 0 HG21 ILE A 70 1.977 -25.021 -11.740 1.00 24.12 H new ATOM 0 HG22 ILE A 70 2.464 -23.411 -12.321 1.00 24.12 H new ATOM 0 HG23 ILE A 70 2.441 -23.758 -10.576 1.00 24.12 H new ATOM 0 HD11 ILE A 70 -0.187 -24.409 -8.203 1.00 4.12 H new ATOM 0 HD12 ILE A 70 1.395 -24.091 -8.954 1.00 4.12 H new ATOM 0 HD13 ILE A 70 0.190 -22.787 -8.833 1.00 4.12 H new ATOM 1145 N GLU A 71 2.663 -21.172 -11.556 1.00 63.35 N ATOM 1146 CA GLU A 71 3.983 -20.620 -11.137 1.00 42.34 C ATOM 1147 C GLU A 71 3.807 -19.214 -10.560 1.00 13.31 C ATOM 1148 O GLU A 71 4.398 -18.868 -9.556 1.00 31.53 O ATOM 1149 CB GLU A 71 4.826 -20.584 -12.411 1.00 53.32 C ATOM 1150 CG GLU A 71 4.171 -19.657 -13.434 1.00 21.03 C ATOM 1151 CD GLU A 71 4.892 -19.792 -14.776 1.00 22.52 C ATOM 1152 OE1 GLU A 71 6.100 -19.957 -14.763 1.00 13.51 O ATOM 1153 OE2 GLU A 71 4.223 -19.732 -15.795 1.00 51.40 O ATOM 0 H GLU A 71 2.560 -21.341 -12.557 1.00 63.35 H new ATOM 0 HA GLU A 71 4.455 -21.222 -10.361 1.00 42.34 H new ATOM 0 HB2 GLU A 71 5.833 -20.236 -12.183 1.00 53.32 H new ATOM 0 HB3 GLU A 71 4.922 -21.588 -12.824 1.00 53.32 H new ATOM 0 HG2 GLU A 71 3.117 -19.910 -13.548 1.00 21.03 H new ATOM 0 HG3 GLU A 71 4.216 -18.625 -13.087 1.00 21.03 H new ATOM 1160 N LYS A 72 2.999 -18.402 -11.182 1.00 40.24 N ATOM 1161 CA LYS A 72 2.786 -17.022 -10.659 1.00 63.41 C ATOM 1162 C LYS A 72 2.177 -17.084 -9.258 1.00 44.40 C ATOM 1163 O LYS A 72 2.238 -16.136 -8.499 1.00 4.51 O ATOM 1164 CB LYS A 72 1.808 -16.372 -11.637 1.00 65.21 C ATOM 1165 CG LYS A 72 2.586 -15.695 -12.766 1.00 13.12 C ATOM 1166 CD LYS A 72 2.445 -14.177 -12.646 1.00 22.42 C ATOM 1167 CE LYS A 72 1.231 -13.712 -13.450 1.00 33.13 C ATOM 1168 NZ LYS A 72 1.693 -12.497 -14.175 1.00 44.50 N ATOM 0 H LYS A 72 2.478 -18.632 -12.028 1.00 40.24 H new ATOM 0 HA LYS A 72 3.717 -16.460 -10.582 1.00 63.41 H new ATOM 0 HB2 LYS A 72 1.134 -17.124 -12.046 1.00 65.21 H new ATOM 0 HB3 LYS A 72 1.191 -15.640 -11.117 1.00 65.21 H new ATOM 0 HG2 LYS A 72 3.638 -15.978 -12.717 1.00 13.12 H new ATOM 0 HG3 LYS A 72 2.210 -16.030 -13.733 1.00 13.12 H new ATOM 0 HD2 LYS A 72 2.332 -13.893 -11.600 1.00 22.42 H new ATOM 0 HD3 LYS A 72 3.347 -13.687 -13.013 1.00 22.42 H new ATOM 0 HE2 LYS A 72 0.898 -14.483 -14.144 1.00 33.13 H new ATOM 0 HE3 LYS A 72 0.388 -13.486 -12.797 1.00 33.13 H new ATOM 0 HZ1 LYS A 72 0.914 -12.119 -14.750 1.00 44.50 H new ATOM 0 HZ2 LYS A 72 1.997 -11.778 -13.488 1.00 44.50 H new ATOM 0 HZ3 LYS A 72 2.491 -12.745 -14.794 1.00 44.50 H new ATOM 1182 N VAL A 73 1.590 -18.194 -8.910 1.00 42.24 N ATOM 1183 CA VAL A 73 0.973 -18.325 -7.558 1.00 33.11 C ATOM 1184 C VAL A 73 1.994 -18.891 -6.566 1.00 23.43 C ATOM 1185 O VAL A 73 1.866 -18.726 -5.368 1.00 5.21 O ATOM 1186 CB VAL A 73 -0.192 -19.296 -7.750 1.00 41.43 C ATOM 1187 CG1 VAL A 73 -1.030 -19.349 -6.469 1.00 72.20 C ATOM 1188 CG2 VAL A 73 -1.069 -18.818 -8.910 1.00 60.23 C ATOM 0 H VAL A 73 1.510 -19.019 -9.504 1.00 42.24 H new ATOM 0 HA VAL A 73 0.641 -17.368 -7.157 1.00 33.11 H new ATOM 0 HB VAL A 73 0.198 -20.289 -7.972 1.00 41.43 H new ATOM 0 HG11 VAL A 73 -1.861 -20.041 -6.606 1.00 72.20 H new ATOM 0 HG12 VAL A 73 -0.408 -19.688 -5.641 1.00 72.20 H new ATOM 0 HG13 VAL A 73 -1.419 -18.355 -6.247 1.00 72.20 H new ATOM 0 HG21 VAL A 73 -1.900 -19.510 -9.047 1.00 60.23 H new ATOM 0 HG22 VAL A 73 -1.458 -17.824 -8.687 1.00 60.23 H new ATOM 0 HG23 VAL A 73 -0.475 -18.779 -9.823 1.00 60.23 H new ATOM 1198 N LYS A 74 3.004 -19.557 -7.053 1.00 4.52 N ATOM 1199 CA LYS A 74 4.029 -20.136 -6.137 1.00 34.11 C ATOM 1200 C LYS A 74 4.564 -19.063 -5.182 1.00 63.22 C ATOM 1201 O LYS A 74 4.488 -19.199 -3.976 1.00 0.14 O ATOM 1202 CB LYS A 74 5.147 -20.632 -7.056 1.00 33.34 C ATOM 1203 CG LYS A 74 4.630 -21.785 -7.920 1.00 52.01 C ATOM 1204 CD LYS A 74 4.357 -23.005 -7.037 1.00 12.52 C ATOM 1205 CE LYS A 74 2.858 -23.095 -6.739 1.00 22.14 C ATOM 1206 NZ LYS A 74 2.546 -24.551 -6.774 1.00 73.01 N ATOM 0 H LYS A 74 3.165 -19.726 -8.046 1.00 4.52 H new ATOM 0 HA LYS A 74 3.619 -20.934 -5.519 1.00 34.11 H new ATOM 0 HB2 LYS A 74 5.498 -19.818 -7.690 1.00 33.34 H new ATOM 0 HB3 LYS A 74 5.999 -20.963 -6.462 1.00 33.34 H new ATOM 0 HG2 LYS A 74 3.718 -21.486 -8.436 1.00 52.01 H new ATOM 0 HG3 LYS A 74 5.363 -22.035 -8.687 1.00 52.01 H new ATOM 0 HD2 LYS A 74 4.694 -23.912 -7.538 1.00 12.52 H new ATOM 0 HD3 LYS A 74 4.919 -22.927 -6.107 1.00 12.52 H new ATOM 0 HE2 LYS A 74 2.622 -22.664 -5.766 1.00 22.14 H new ATOM 0 HE3 LYS A 74 2.275 -22.548 -7.480 1.00 22.14 H new ATOM 0 HZ1 LYS A 74 1.518 -24.688 -6.697 1.00 73.01 H new ATOM 0 HZ2 LYS A 74 2.883 -24.957 -7.670 1.00 73.01 H new ATOM 0 HZ3 LYS A 74 3.019 -25.027 -5.979 1.00 73.01 H new ATOM 1220 N GLN A 75 5.106 -17.998 -5.710 1.00 41.42 N ATOM 1221 CA GLN A 75 5.647 -16.923 -4.831 1.00 52.31 C ATOM 1222 C GLN A 75 4.515 -16.263 -4.043 1.00 50.42 C ATOM 1223 O GLN A 75 4.746 -15.503 -3.123 1.00 2.45 O ATOM 1224 CB GLN A 75 6.298 -15.916 -5.783 1.00 41.13 C ATOM 1225 CG GLN A 75 5.237 -15.328 -6.715 1.00 72.33 C ATOM 1226 CD GLN A 75 4.456 -14.237 -5.980 1.00 11.20 C ATOM 1227 OE1 GLN A 75 3.156 -14.311 -5.926 1.00 5.41 O flip ATOM 1228 NE2 GLN A 75 5.036 -13.309 -5.450 1.00 52.34 N flip ATOM 0 H GLN A 75 5.197 -17.827 -6.711 1.00 41.42 H new ATOM 0 HA GLN A 75 6.358 -17.309 -4.101 1.00 52.31 H new ATOM 0 HB2 GLN A 75 6.777 -15.120 -5.213 1.00 41.13 H new ATOM 0 HB3 GLN A 75 7.078 -16.405 -6.367 1.00 41.13 H new ATOM 0 HG2 GLN A 75 5.710 -14.914 -7.605 1.00 72.33 H new ATOM 0 HG3 GLN A 75 4.558 -16.112 -7.050 1.00 72.33 H new ATOM 0 HE21 GLN A 75 6.054 -13.252 -5.493 1.00 52.34 H new ATOM 0 HE22 GLN A 75 4.505 -12.587 -4.962 1.00 52.34 H new ATOM 1237 N ALA A 76 3.293 -16.542 -4.400 1.00 13.33 N ATOM 1238 CA ALA A 76 2.146 -15.929 -3.673 1.00 23.42 C ATOM 1239 C ALA A 76 1.783 -16.768 -2.448 1.00 11.53 C ATOM 1240 O ALA A 76 1.525 -16.250 -1.381 1.00 2.15 O ATOM 1241 CB ALA A 76 0.995 -15.936 -4.674 1.00 54.51 C ATOM 0 H ALA A 76 3.038 -17.168 -5.164 1.00 13.33 H new ATOM 0 HA ALA A 76 2.377 -14.925 -3.316 1.00 23.42 H new ATOM 0 HB1 ALA A 76 0.109 -15.499 -4.213 1.00 54.51 H new ATOM 0 HB2 ALA A 76 1.273 -15.353 -5.552 1.00 54.51 H new ATOM 0 HB3 ALA A 76 0.779 -16.962 -4.973 1.00 54.51 H new ATOM 1247 N LEU A 77 1.754 -18.065 -2.596 1.00 65.00 N ATOM 1248 CA LEU A 77 1.399 -18.933 -1.438 1.00 15.43 C ATOM 1249 C LEU A 77 2.613 -19.128 -0.529 1.00 22.32 C ATOM 1250 O LEU A 77 2.482 -19.389 0.651 1.00 75.42 O ATOM 1251 CB LEU A 77 0.967 -20.264 -2.056 1.00 12.35 C ATOM 1252 CG LEU A 77 -0.020 -20.000 -3.191 1.00 72.25 C ATOM 1253 CD1 LEU A 77 -0.595 -21.325 -3.689 1.00 35.31 C ATOM 1254 CD2 LEU A 77 -1.152 -19.108 -2.678 1.00 25.33 C ATOM 0 H LEU A 77 1.960 -18.559 -3.465 1.00 65.00 H new ATOM 0 HA LEU A 77 0.612 -18.497 -0.822 1.00 15.43 H new ATOM 0 HB2 LEU A 77 1.837 -20.802 -2.433 1.00 12.35 H new ATOM 0 HB3 LEU A 77 0.506 -20.897 -1.298 1.00 12.35 H new ATOM 0 HG LEU A 77 0.493 -19.501 -4.013 1.00 72.25 H new ATOM 0 HD11 LEU A 77 -1.299 -21.135 -4.499 1.00 35.31 H new ATOM 0 HD12 LEU A 77 0.214 -21.959 -4.053 1.00 35.31 H new ATOM 0 HD13 LEU A 77 -1.110 -21.828 -2.871 1.00 35.31 H new ATOM 0 HD21 LEU A 77 -1.859 -18.917 -3.485 1.00 25.33 H new ATOM 0 HD22 LEU A 77 -1.665 -19.608 -1.857 1.00 25.33 H new ATOM 0 HD23 LEU A 77 -0.739 -18.163 -2.326 1.00 25.33 H new ATOM 1266 N THR A 78 3.795 -19.001 -1.066 1.00 23.34 N ATOM 1267 CA THR A 78 5.015 -19.173 -0.228 1.00 3.14 C ATOM 1268 C THR A 78 5.332 -17.866 0.505 1.00 2.21 C ATOM 1269 O THR A 78 5.872 -17.870 1.593 1.00 14.13 O ATOM 1270 CB THR A 78 6.129 -19.533 -1.212 1.00 23.42 C ATOM 1271 OG1 THR A 78 7.239 -20.055 -0.495 1.00 70.15 O ATOM 1272 CG2 THR A 78 6.556 -18.288 -1.986 1.00 33.54 C ATOM 0 H THR A 78 3.969 -18.786 -2.048 1.00 23.34 H new ATOM 0 HA THR A 78 4.893 -19.942 0.535 1.00 3.14 H new ATOM 0 HB THR A 78 5.765 -20.282 -1.915 1.00 23.42 H new ATOM 0 HG1 THR A 78 7.954 -20.288 -1.123 1.00 70.15 H new ATOM 0 HG21 THR A 78 7.350 -18.549 -2.686 1.00 33.54 H new ATOM 0 HG22 THR A 78 5.703 -17.891 -2.536 1.00 33.54 H new ATOM 0 HG23 THR A 78 6.921 -17.533 -1.289 1.00 33.54 H new ATOM 1280 N GLU A 79 4.992 -16.748 -0.078 1.00 20.12 N ATOM 1281 CA GLU A 79 5.262 -15.443 0.586 1.00 44.24 C ATOM 1282 C GLU A 79 4.026 -14.987 1.361 1.00 4.00 C ATOM 1283 O GLU A 79 4.102 -14.621 2.516 1.00 2.41 O ATOM 1284 CB GLU A 79 5.575 -14.469 -0.551 1.00 12.14 C ATOM 1285 CG GLU A 79 6.882 -14.883 -1.234 1.00 10.34 C ATOM 1286 CD GLU A 79 8.023 -14.001 -0.727 1.00 32.11 C ATOM 1287 OE1 GLU A 79 7.833 -13.339 0.280 1.00 20.24 O ATOM 1288 OE2 GLU A 79 9.069 -14.003 -1.356 1.00 45.24 O ATOM 0 H GLU A 79 4.537 -16.684 -0.989 1.00 20.12 H new ATOM 0 HA GLU A 79 6.084 -15.504 1.300 1.00 44.24 H new ATOM 0 HB2 GLU A 79 4.760 -14.464 -1.275 1.00 12.14 H new ATOM 0 HB3 GLU A 79 5.661 -13.455 -0.162 1.00 12.14 H new ATOM 0 HG2 GLU A 79 7.098 -15.931 -1.025 1.00 10.34 H new ATOM 0 HG3 GLU A 79 6.786 -14.786 -2.315 1.00 10.34 H new ATOM 1295 N GLN A 80 2.883 -15.013 0.731 1.00 53.13 N ATOM 1296 CA GLN A 80 1.635 -14.590 1.429 1.00 61.22 C ATOM 1297 C GLN A 80 0.824 -15.824 1.826 1.00 41.25 C ATOM 1298 O GLN A 80 0.531 -16.044 2.984 1.00 2.14 O ATOM 1299 CB GLN A 80 0.847 -13.751 0.415 1.00 45.01 C ATOM 1300 CG GLN A 80 1.796 -12.920 -0.455 1.00 14.22 C ATOM 1301 CD GLN A 80 1.017 -12.340 -1.640 1.00 73.04 C ATOM 1302 OE1 GLN A 80 0.174 -13.098 -2.285 1.00 12.14 O flip ATOM 1303 NE2 GLN A 80 1.181 -11.185 -1.982 1.00 0.53 N flip ATOM 0 H GLN A 80 2.759 -15.309 -0.237 1.00 53.13 H new ATOM 0 HA GLN A 80 1.851 -14.024 2.335 1.00 61.22 H new ATOM 0 HB2 GLN A 80 0.246 -14.405 -0.217 1.00 45.01 H new ATOM 0 HB3 GLN A 80 0.156 -13.092 0.940 1.00 45.01 H new ATOM 0 HG2 GLN A 80 2.238 -12.116 0.134 1.00 14.22 H new ATOM 0 HG3 GLN A 80 2.617 -13.541 -0.813 1.00 14.22 H new ATOM 0 HE21 GLN A 80 1.840 -10.592 -1.477 1.00 0.53 H new ATOM 0 HE22 GLN A 80 0.659 -10.808 -2.773 1.00 0.53 H new ATOM 1312 N GLY A 81 0.463 -16.633 0.867 1.00 31.20 N ATOM 1313 CA GLY A 81 -0.324 -17.856 1.178 1.00 41.12 C ATOM 1314 C GLY A 81 -1.617 -17.857 0.360 1.00 61.13 C ATOM 1315 O GLY A 81 -2.426 -18.757 0.468 1.00 44.30 O ATOM 0 H GLY A 81 0.681 -16.498 -0.120 1.00 31.20 H new ATOM 0 HA2 GLY A 81 0.263 -18.746 0.950 1.00 41.12 H new ATOM 0 HA3 GLY A 81 -0.555 -17.891 2.243 1.00 41.12 H new ATOM 1319 N TYR A 82 -1.823 -16.858 -0.455 1.00 1.25 N ATOM 1320 CA TYR A 82 -3.074 -16.811 -1.272 1.00 55.04 C ATOM 1321 C TYR A 82 -2.828 -16.022 -2.562 1.00 64.23 C ATOM 1322 O TYR A 82 -2.035 -15.106 -2.599 1.00 62.52 O ATOM 1323 CB TYR A 82 -4.122 -16.092 -0.408 1.00 74.31 C ATOM 1324 CG TYR A 82 -3.882 -16.368 1.061 1.00 72.42 C ATOM 1325 CD1 TYR A 82 -2.839 -15.719 1.729 1.00 12.33 C ATOM 1326 CD2 TYR A 82 -4.697 -17.271 1.750 1.00 52.44 C ATOM 1327 CE1 TYR A 82 -2.609 -15.973 3.086 1.00 52.22 C ATOM 1328 CE2 TYR A 82 -4.468 -17.529 3.107 1.00 10.34 C ATOM 1329 CZ TYR A 82 -3.424 -16.879 3.775 1.00 13.23 C ATOM 1330 OH TYR A 82 -3.197 -17.131 5.113 1.00 0.32 O ATOM 0 H TYR A 82 -1.184 -16.075 -0.592 1.00 1.25 H new ATOM 0 HA TYR A 82 -3.406 -17.811 -1.552 1.00 55.04 H new ATOM 0 HB2 TYR A 82 -4.080 -15.019 -0.594 1.00 74.31 H new ATOM 0 HB3 TYR A 82 -5.122 -16.425 -0.687 1.00 74.31 H new ATOM 0 HD1 TYR A 82 -2.210 -15.021 1.197 1.00 12.33 H new ATOM 0 HD2 TYR A 82 -5.504 -17.770 1.235 1.00 52.44 H new ATOM 0 HE1 TYR A 82 -1.804 -15.471 3.601 1.00 52.22 H new ATOM 0 HE2 TYR A 82 -5.096 -18.229 3.638 1.00 10.34 H new ATOM 0 HH TYR A 82 -3.852 -17.783 5.439 1.00 0.32 H new ATOM 1340 N TYR A 83 -3.510 -16.372 -3.619 1.00 35.31 N ATOM 1341 CA TYR A 83 -3.320 -15.635 -4.904 1.00 44.03 C ATOM 1342 C TYR A 83 -4.645 -15.546 -5.663 1.00 41.45 C ATOM 1343 O TYR A 83 -5.267 -16.544 -5.967 1.00 43.23 O ATOM 1344 CB TYR A 83 -2.307 -16.463 -5.692 1.00 10.05 C ATOM 1345 CG TYR A 83 -2.127 -15.869 -7.068 1.00 34.40 C ATOM 1346 CD1 TYR A 83 -3.131 -16.020 -8.032 1.00 72.25 C ATOM 1347 CD2 TYR A 83 -0.958 -15.165 -7.378 1.00 71.24 C ATOM 1348 CE1 TYR A 83 -2.963 -15.469 -9.309 1.00 23.31 C ATOM 1349 CE2 TYR A 83 -0.790 -14.613 -8.655 1.00 11.30 C ATOM 1350 CZ TYR A 83 -1.791 -14.765 -9.620 1.00 41.23 C ATOM 1351 OH TYR A 83 -1.627 -14.223 -10.877 1.00 32.11 O ATOM 0 H TYR A 83 -4.188 -17.133 -3.650 1.00 35.31 H new ATOM 0 HA TYR A 83 -2.975 -14.613 -4.745 1.00 44.03 H new ATOM 0 HB2 TYR A 83 -1.352 -16.484 -5.166 1.00 10.05 H new ATOM 0 HB3 TYR A 83 -2.650 -17.495 -5.772 1.00 10.05 H new ATOM 0 HD1 TYR A 83 -4.034 -16.561 -7.791 1.00 72.25 H new ATOM 0 HD2 TYR A 83 -0.185 -15.047 -6.633 1.00 71.24 H new ATOM 0 HE1 TYR A 83 -3.736 -15.586 -10.054 1.00 23.31 H new ATOM 0 HE2 TYR A 83 0.113 -14.070 -8.894 1.00 11.30 H new ATOM 0 HH TYR A 83 -0.761 -13.767 -10.926 1.00 32.11 H new ATOM 1361 N LEU A 84 -5.081 -14.357 -5.974 1.00 31.33 N ATOM 1362 CA LEU A 84 -6.364 -14.205 -6.717 1.00 10.11 C ATOM 1363 C LEU A 84 -6.084 -13.839 -8.174 1.00 64.32 C ATOM 1364 O LEU A 84 -5.453 -12.842 -8.464 1.00 12.22 O ATOM 1365 CB LEU A 84 -7.106 -13.075 -6.001 1.00 62.44 C ATOM 1366 CG LEU A 84 -8.476 -12.856 -6.650 1.00 12.41 C ATOM 1367 CD1 LEU A 84 -9.151 -14.206 -6.906 1.00 42.32 C ATOM 1368 CD2 LEU A 84 -9.355 -12.026 -5.713 1.00 24.01 C ATOM 0 H LEU A 84 -4.605 -13.484 -5.746 1.00 31.33 H new ATOM 0 HA LEU A 84 -6.950 -15.124 -6.731 1.00 10.11 H new ATOM 0 HB2 LEU A 84 -7.229 -13.320 -4.946 1.00 62.44 H new ATOM 0 HB3 LEU A 84 -6.521 -12.157 -6.049 1.00 62.44 H new ATOM 0 HG LEU A 84 -8.344 -12.331 -7.596 1.00 12.41 H new ATOM 0 HD11 LEU A 84 -10.125 -14.044 -7.368 1.00 42.32 H new ATOM 0 HD12 LEU A 84 -8.529 -14.804 -7.572 1.00 42.32 H new ATOM 0 HD13 LEU A 84 -9.281 -14.733 -5.961 1.00 42.32 H new ATOM 0 HD21 LEU A 84 -10.331 -11.869 -6.173 1.00 24.01 H new ATOM 0 HD22 LEU A 84 -9.480 -12.555 -4.768 1.00 24.01 H new ATOM 0 HD23 LEU A 84 -8.881 -11.062 -5.529 1.00 24.01 H new ATOM 1380 N GLN A 85 -6.543 -14.641 -9.095 1.00 12.12 N ATOM 1381 CA GLN A 85 -6.292 -14.336 -10.529 1.00 33.42 C ATOM 1382 C GLN A 85 -7.466 -13.555 -11.121 1.00 71.11 C ATOM 1383 O GLN A 85 -8.618 -13.918 -10.959 1.00 23.41 O ATOM 1384 CB GLN A 85 -6.138 -15.697 -11.213 1.00 53.25 C ATOM 1385 CG GLN A 85 -7.496 -16.397 -11.289 1.00 61.01 C ATOM 1386 CD GLN A 85 -8.050 -16.303 -12.712 1.00 32.11 C ATOM 1387 OE1 GLN A 85 -8.824 -17.140 -13.129 1.00 72.04 O ATOM 1388 NE2 GLN A 85 -7.685 -15.313 -13.482 1.00 12.22 N ATOM 0 H GLN A 85 -7.079 -15.490 -8.916 1.00 12.12 H new ATOM 0 HA GLN A 85 -5.405 -13.717 -10.667 1.00 33.42 H new ATOM 0 HB2 GLN A 85 -5.730 -15.566 -12.215 1.00 53.25 H new ATOM 0 HB3 GLN A 85 -5.431 -16.315 -10.659 1.00 53.25 H new ATOM 0 HG2 GLN A 85 -7.393 -17.442 -10.998 1.00 61.01 H new ATOM 0 HG3 GLN A 85 -8.192 -15.937 -10.587 1.00 61.01 H new ATOM 0 HE21 GLN A 85 -7.035 -14.609 -13.133 1.00 12.22 H new ATOM 0 HE22 GLN A 85 -8.050 -15.244 -14.432 1.00 12.22 H new ATOM 1397 N LEU A 86 -7.175 -12.477 -11.799 1.00 73.04 N ATOM 1398 CA LEU A 86 -8.255 -11.651 -12.410 1.00 72.10 C ATOM 1399 C LEU A 86 -7.914 -11.353 -13.872 1.00 45.24 C ATOM 1400 O LEU A 86 -6.916 -10.718 -14.157 1.00 61.14 O ATOM 1401 CB LEU A 86 -8.272 -10.361 -11.589 1.00 14.12 C ATOM 1402 CG LEU A 86 -9.674 -10.133 -11.025 1.00 71.24 C ATOM 1403 CD1 LEU A 86 -10.656 -9.905 -12.176 1.00 51.23 C ATOM 1404 CD2 LEU A 86 -10.101 -11.361 -10.223 1.00 62.52 C ATOM 0 H LEU A 86 -6.228 -12.131 -11.956 1.00 73.04 H new ATOM 0 HA LEU A 86 -9.223 -12.152 -12.401 1.00 72.10 H new ATOM 0 HB2 LEU A 86 -7.548 -10.425 -10.777 1.00 14.12 H new ATOM 0 HB3 LEU A 86 -7.978 -9.517 -12.213 1.00 14.12 H new ATOM 0 HG LEU A 86 -9.670 -9.257 -10.376 1.00 71.24 H new ATOM 0 HD11 LEU A 86 -11.656 -9.742 -11.774 1.00 51.23 H new ATOM 0 HD12 LEU A 86 -10.348 -9.030 -12.749 1.00 51.23 H new ATOM 0 HD13 LEU A 86 -10.664 -10.780 -12.826 1.00 51.23 H new ATOM 0 HD21 LEU A 86 -11.101 -11.202 -9.819 1.00 62.52 H new ATOM 0 HD22 LEU A 86 -10.107 -12.236 -10.873 1.00 62.52 H new ATOM 0 HD23 LEU A 86 -9.400 -11.522 -9.404 1.00 62.52 H new