USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 606 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 58 GLN : amide:sc= -0.44 K(o=-0.11,f=-2.7) USER MOD Set 1.2: A 99 TYR OH : rot -116:sc= 0.33 USER MOD Set 2.1: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 60 SER OG : rot -138:sc= -1.13! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot -58:sc= 0.173 USER MOD Single : A 31 GLN : amide:sc= 0.868 K(o=0.87,f=-0.71) USER MOD Single : A 32 ASN : amide:sc= 0.513 K(o=0.51,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -177:sc= -0.314 USER MOD Single : A 42 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0341) USER MOD Single : A 46 TYR OH : rot -150:sc= -2.17! USER MOD Single : A 49 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0151) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl -165:sc= -0.106 (180deg=-0.488) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -169:sc= -0.374 (180deg=-0.478) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN :FLIP amide:sc= -0.119 F(o=-2.6!,f=-0.12) USER MOD Single : A 80 ASN : amide:sc=-0.00542 X(o=-0.0054,f=-0.31) USER MOD Single : A 101 LYS NZ :NH3+ 170:sc= 0.207 (180deg=0.101) USER MOD Single : A 108 THR OG1 : rot 180:sc=-0.00331 USER MOD ----------------------------------------------------------------- ATOM 281 N LEU A 19 -13.363 -0.464 -3.876 1.00 64.50 N ATOM 282 CA LEU A 19 -12.715 -1.089 -2.716 1.00 53.15 C ATOM 283 C LEU A 19 -12.945 -0.286 -1.428 1.00 13.11 C ATOM 284 O LEU A 19 -13.278 0.895 -1.471 1.00 42.21 O ATOM 285 CB LEU A 19 -11.211 -1.232 -2.996 1.00 12.22 C ATOM 286 CG LEU A 19 -10.865 -1.955 -4.312 1.00 35.15 C ATOM 287 CD1 LEU A 19 -9.360 -1.945 -4.562 1.00 42.31 C ATOM 288 CD2 LEU A 19 -11.406 -3.383 -4.306 1.00 34.32 C ATOM 0 HA LEU A 19 -13.160 -2.072 -2.563 1.00 53.15 H new ATOM 0 HB2 LEU A 19 -10.763 -0.238 -3.015 1.00 12.22 H new ATOM 0 HB3 LEU A 19 -10.751 -1.773 -2.169 1.00 12.22 H new ATOM 0 HG LEU A 19 -11.344 -1.415 -5.128 1.00 35.15 H new ATOM 0 HD11 LEU A 19 -9.143 -2.462 -5.497 1.00 42.31 H new ATOM 0 HD12 LEU A 19 -9.009 -0.915 -4.626 1.00 42.31 H new ATOM 0 HD13 LEU A 19 -8.851 -2.451 -3.741 1.00 42.31 H new ATOM 0 HD21 LEU A 19 -11.149 -3.873 -5.245 1.00 34.32 H new ATOM 0 HD22 LEU A 19 -10.965 -3.935 -3.476 1.00 34.32 H new ATOM 0 HD23 LEU A 19 -12.490 -3.361 -4.193 1.00 34.32 H new ATOM 300 N LYS A 20 -12.788 -0.943 -0.279 1.00 60.30 N ATOM 301 CA LYS A 20 -12.940 -0.273 1.024 1.00 1.23 C ATOM 302 C LYS A 20 -11.622 -0.278 1.818 1.00 64.22 C ATOM 303 O LYS A 20 -11.122 -1.336 2.207 1.00 52.02 O ATOM 304 CB LYS A 20 -14.054 -0.931 1.863 1.00 63.11 C ATOM 305 CG LYS A 20 -15.474 -0.639 1.368 1.00 71.30 C ATOM 306 CD LYS A 20 -15.816 -1.397 0.088 1.00 0.21 C ATOM 307 CE LYS A 20 -17.128 -0.919 -0.518 1.00 33.02 C ATOM 308 NZ LYS A 20 -17.469 -1.656 -1.762 1.00 22.11 N ATOM 0 H LYS A 20 -12.557 -1.935 -0.218 1.00 60.30 H new ATOM 0 HA LYS A 20 -13.217 0.761 0.819 1.00 1.23 H new ATOM 0 HB2 LYS A 20 -13.899 -2.010 1.869 1.00 63.11 H new ATOM 0 HB3 LYS A 20 -13.965 -0.591 2.895 1.00 63.11 H new ATOM 0 HG2 LYS A 20 -16.189 -0.907 2.146 1.00 71.30 H new ATOM 0 HG3 LYS A 20 -15.581 0.431 1.192 1.00 71.30 H new ATOM 0 HD2 LYS A 20 -15.012 -1.268 -0.637 1.00 0.21 H new ATOM 0 HD3 LYS A 20 -15.882 -2.463 0.304 1.00 0.21 H new ATOM 0 HE2 LYS A 20 -17.930 -1.045 0.209 1.00 33.02 H new ATOM 0 HE3 LYS A 20 -17.060 0.147 -0.736 1.00 33.02 H new ATOM 0 HZ1 LYS A 20 -18.369 -1.299 -2.141 1.00 22.11 H new ATOM 0 HZ2 LYS A 20 -16.717 -1.515 -2.466 1.00 22.11 H new ATOM 0 HZ3 LYS A 20 -17.560 -2.670 -1.551 1.00 22.11 H new ATOM 322 N PHE A 21 -11.075 0.912 2.058 1.00 71.23 N ATOM 323 CA PHE A 21 -9.847 1.060 2.848 1.00 32.00 C ATOM 324 C PHE A 21 -10.080 0.666 4.313 1.00 63.25 C ATOM 325 O PHE A 21 -10.995 1.170 4.957 1.00 72.44 O ATOM 326 CB PHE A 21 -9.341 2.509 2.768 1.00 13.25 C ATOM 327 CG PHE A 21 -8.116 2.776 3.607 1.00 52.31 C ATOM 328 CD1 PHE A 21 -6.854 2.426 3.151 1.00 42.14 C ATOM 329 CD2 PHE A 21 -8.225 3.377 4.858 1.00 63.33 C ATOM 330 CE1 PHE A 21 -5.731 2.669 3.918 1.00 23.12 C ATOM 331 CE2 PHE A 21 -7.104 3.621 5.626 1.00 64.21 C ATOM 332 CZ PHE A 21 -5.855 3.265 5.157 1.00 72.14 C ATOM 0 H PHE A 21 -11.462 1.792 1.717 1.00 71.23 H new ATOM 0 HA PHE A 21 -9.094 0.391 2.432 1.00 32.00 H new ATOM 0 HB2 PHE A 21 -9.117 2.748 1.729 1.00 13.25 H new ATOM 0 HB3 PHE A 21 -10.139 3.180 3.084 1.00 13.25 H new ATOM 0 HD1 PHE A 21 -6.748 1.957 2.184 1.00 42.14 H new ATOM 0 HD2 PHE A 21 -9.199 3.656 5.232 1.00 63.33 H new ATOM 0 HE1 PHE A 21 -4.755 2.392 3.548 1.00 23.12 H new ATOM 0 HE2 PHE A 21 -7.204 4.090 6.594 1.00 64.21 H new ATOM 0 HZ PHE A 21 -4.977 3.452 5.758 1.00 72.14 H new ATOM 342 N SER A 22 -9.256 -0.238 4.836 1.00 72.40 N ATOM 343 CA SER A 22 -9.377 -0.660 6.240 1.00 53.03 C ATOM 344 C SER A 22 -8.254 -0.088 7.108 1.00 54.31 C ATOM 345 O SER A 22 -8.504 0.692 8.026 1.00 71.21 O ATOM 346 CB SER A 22 -9.374 -2.189 6.347 1.00 0.23 C ATOM 347 OG SER A 22 -8.172 -2.751 5.843 1.00 24.43 O ATOM 0 H SER A 22 -8.503 -0.692 4.320 1.00 72.40 H new ATOM 0 HA SER A 22 -10.326 -0.269 6.608 1.00 53.03 H new ATOM 0 HB2 SER A 22 -9.502 -2.481 7.389 1.00 0.23 H new ATOM 0 HB3 SER A 22 -10.223 -2.593 5.796 1.00 0.23 H new ATOM 0 HG SER A 22 -8.052 -2.482 4.908 1.00 24.43 H new ATOM 353 N ALA A 23 -7.019 -0.480 6.813 1.00 5.23 N ATOM 354 CA ALA A 23 -5.864 -0.046 7.602 1.00 24.44 C ATOM 355 C ALA A 23 -4.550 -0.172 6.819 1.00 52.10 C ATOM 356 O ALA A 23 -4.523 -0.655 5.684 1.00 44.21 O ATOM 357 CB ALA A 23 -5.783 -0.851 8.898 1.00 23.42 C ATOM 0 H ALA A 23 -6.789 -1.097 6.034 1.00 5.23 H new ATOM 0 HA ALA A 23 -6.004 1.009 7.836 1.00 24.44 H new ATOM 0 HB1 ALA A 23 -4.921 -0.521 9.478 1.00 23.42 H new ATOM 0 HB2 ALA A 23 -6.692 -0.697 9.479 1.00 23.42 H new ATOM 0 HB3 ALA A 23 -5.678 -1.910 8.663 1.00 23.42 H new ATOM 363 N LEU A 24 -3.457 0.268 7.439 1.00 65.24 N ATOM 364 CA LEU A 24 -2.121 0.155 6.851 1.00 54.42 C ATOM 365 C LEU A 24 -1.519 -1.238 7.107 1.00 13.24 C ATOM 366 O LEU A 24 -1.306 -1.628 8.257 1.00 42.34 O ATOM 367 CB LEU A 24 -1.199 1.236 7.437 1.00 14.22 C ATOM 368 CG LEU A 24 0.275 1.169 6.997 1.00 65.31 C ATOM 369 CD1 LEU A 24 0.413 1.403 5.496 1.00 32.50 C ATOM 370 CD2 LEU A 24 1.116 2.172 7.783 1.00 64.14 C ATOM 0 H LEU A 24 -3.470 0.711 8.358 1.00 65.24 H new ATOM 0 HA LEU A 24 -2.210 0.296 5.774 1.00 54.42 H new ATOM 0 HB2 LEU A 24 -1.596 2.213 7.163 1.00 14.22 H new ATOM 0 HB3 LEU A 24 -1.238 1.169 8.524 1.00 14.22 H new ATOM 0 HG LEU A 24 0.646 0.167 7.212 1.00 65.31 H new ATOM 0 HD11 LEU A 24 1.465 1.350 5.215 1.00 32.50 H new ATOM 0 HD12 LEU A 24 -0.146 0.639 4.956 1.00 32.50 H new ATOM 0 HD13 LEU A 24 0.019 2.388 5.244 1.00 32.50 H new ATOM 0 HD21 LEU A 24 2.155 2.110 7.458 1.00 64.14 H new ATOM 0 HD22 LEU A 24 0.740 3.180 7.606 1.00 64.14 H new ATOM 0 HD23 LEU A 24 1.055 1.944 8.847 1.00 64.14 H new ATOM 382 N ARG A 25 -1.249 -1.983 6.037 1.00 54.13 N ATOM 383 CA ARG A 25 -0.628 -3.306 6.157 1.00 21.42 C ATOM 384 C ARG A 25 0.830 -3.199 6.626 1.00 65.21 C ATOM 385 O ARG A 25 1.172 -3.618 7.735 1.00 74.13 O ATOM 386 CB ARG A 25 -0.695 -4.046 4.809 1.00 30.43 C ATOM 387 CG ARG A 25 0.126 -5.336 4.757 1.00 62.22 C ATOM 388 CD ARG A 25 -0.355 -6.370 5.767 1.00 75.44 C ATOM 389 NE ARG A 25 -1.744 -6.742 5.539 1.00 45.15 N ATOM 390 CZ ARG A 25 -2.314 -7.804 6.029 1.00 3.01 C ATOM 391 NH1 ARG A 25 -1.640 -8.640 6.758 1.00 50.21 N ATOM 392 NH2 ARG A 25 -3.557 -8.029 5.770 1.00 21.40 N ATOM 0 H ARG A 25 -1.449 -1.697 5.079 1.00 54.13 H new ATOM 0 HA ARG A 25 -1.183 -3.870 6.907 1.00 21.42 H new ATOM 0 HB2 ARG A 25 -1.736 -4.283 4.589 1.00 30.43 H new ATOM 0 HB3 ARG A 25 -0.348 -3.376 4.022 1.00 30.43 H new ATOM 0 HG2 ARG A 25 0.071 -5.759 3.754 1.00 62.22 H new ATOM 0 HG3 ARG A 25 1.174 -5.105 4.948 1.00 62.22 H new ATOM 0 HD2 ARG A 25 0.274 -7.258 5.706 1.00 75.44 H new ATOM 0 HD3 ARG A 25 -0.246 -5.971 6.776 1.00 75.44 H new ATOM 0 HE ARG A 25 -2.310 -6.127 4.954 1.00 45.15 H new ATOM 0 HH11 ARG A 25 -0.654 -8.468 6.952 1.00 50.21 H new ATOM 0 HH12 ARG A 25 -2.097 -9.469 7.137 1.00 50.21 H new ATOM 0 HH21 ARG A 25 -4.082 -7.378 5.187 1.00 21.40 H new ATOM 0 HH22 ARG A 25 -4.015 -8.858 6.148 1.00 21.40 H new ATOM 406 N ARG A 26 1.680 -2.629 5.776 1.00 52.24 N ATOM 407 CA ARG A 26 3.110 -2.517 6.073 1.00 41.52 C ATOM 408 C ARG A 26 3.823 -1.579 5.090 1.00 65.14 C ATOM 409 O ARG A 26 3.644 -1.676 3.877 1.00 54.42 O ATOM 410 CB ARG A 26 3.770 -3.906 6.045 1.00 2.11 C ATOM 411 CG ARG A 26 5.274 -3.885 6.306 1.00 1.50 C ATOM 412 CD ARG A 26 5.845 -5.288 6.484 1.00 43.13 C ATOM 413 NE ARG A 26 5.220 -5.993 7.599 1.00 4.01 N ATOM 414 CZ ARG A 26 5.726 -7.043 8.186 1.00 1.42 C ATOM 415 NH1 ARG A 26 6.869 -7.525 7.813 1.00 73.12 N ATOM 416 NH2 ARG A 26 5.085 -7.607 9.156 1.00 54.12 N ATOM 0 H ARG A 26 1.406 -2.237 4.875 1.00 52.24 H new ATOM 0 HA ARG A 26 3.206 -2.090 7.071 1.00 41.52 H new ATOM 0 HB2 ARG A 26 3.291 -4.539 6.792 1.00 2.11 H new ATOM 0 HB3 ARG A 26 3.587 -4.364 5.073 1.00 2.11 H new ATOM 0 HG2 ARG A 26 5.779 -3.391 5.476 1.00 1.50 H new ATOM 0 HG3 ARG A 26 5.478 -3.295 7.199 1.00 1.50 H new ATOM 0 HD2 ARG A 26 5.699 -5.858 5.567 1.00 43.13 H new ATOM 0 HD3 ARG A 26 6.920 -5.224 6.652 1.00 43.13 H new ATOM 0 HE ARG A 26 4.327 -5.641 7.943 1.00 4.01 H new ATOM 0 HH11 ARG A 26 7.385 -7.083 7.052 1.00 73.12 H new ATOM 0 HH12 ARG A 26 7.253 -8.346 8.280 1.00 73.12 H new ATOM 0 HH21 ARG A 26 4.187 -7.231 9.460 1.00 54.12 H new ATOM 0 HH22 ARG A 26 5.477 -8.428 9.617 1.00 54.12 H new ATOM 430 N GLU A 27 4.608 -0.653 5.625 1.00 62.21 N ATOM 431 CA GLU A 27 5.447 0.221 4.805 1.00 42.22 C ATOM 432 C GLU A 27 6.876 -0.339 4.730 1.00 62.53 C ATOM 433 O GLU A 27 7.672 -0.166 5.655 1.00 25.41 O ATOM 434 CB GLU A 27 5.463 1.641 5.390 1.00 64.53 C ATOM 435 CG GLU A 27 4.071 2.210 5.632 1.00 62.04 C ATOM 436 CD GLU A 27 4.088 3.611 6.225 1.00 42.10 C ATOM 437 OE1 GLU A 27 4.743 3.817 7.266 1.00 3.30 O ATOM 438 OE2 GLU A 27 3.430 4.506 5.663 1.00 44.31 O ATOM 0 H GLU A 27 4.684 -0.485 6.628 1.00 62.21 H new ATOM 0 HA GLU A 27 5.033 0.263 3.798 1.00 42.22 H new ATOM 0 HB2 GLU A 27 6.013 1.632 6.331 1.00 64.53 H new ATOM 0 HB3 GLU A 27 6.004 2.300 4.711 1.00 64.53 H new ATOM 0 HG2 GLU A 27 3.525 2.229 4.689 1.00 62.04 H new ATOM 0 HG3 GLU A 27 3.526 1.546 6.303 1.00 62.04 H new ATOM 445 N VAL A 28 7.194 -1.025 3.633 1.00 1.14 N ATOM 446 CA VAL A 28 8.502 -1.679 3.493 1.00 12.11 C ATOM 447 C VAL A 28 9.618 -0.656 3.221 1.00 12.01 C ATOM 448 O VAL A 28 9.592 0.070 2.225 1.00 73.25 O ATOM 449 CB VAL A 28 8.494 -2.768 2.385 1.00 3.05 C ATOM 450 CG1 VAL A 28 7.532 -3.896 2.757 1.00 20.15 C ATOM 451 CG2 VAL A 28 8.134 -2.181 1.020 1.00 53.10 C ATOM 0 H VAL A 28 6.573 -1.144 2.833 1.00 1.14 H new ATOM 0 HA VAL A 28 8.706 -2.169 4.445 1.00 12.11 H new ATOM 0 HB VAL A 28 9.502 -3.175 2.310 1.00 3.05 H new ATOM 0 HG11 VAL A 28 7.537 -4.652 1.972 1.00 20.15 H new ATOM 0 HG12 VAL A 28 7.847 -4.348 3.697 1.00 20.15 H new ATOM 0 HG13 VAL A 28 6.525 -3.494 2.867 1.00 20.15 H new ATOM 0 HG21 VAL A 28 8.139 -2.973 0.271 1.00 53.10 H new ATOM 0 HG22 VAL A 28 7.142 -1.732 1.067 1.00 53.10 H new ATOM 0 HG23 VAL A 28 8.864 -1.419 0.747 1.00 53.10 H new ATOM 461 N ARG A 29 10.592 -0.595 4.126 1.00 71.50 N ATOM 462 CA ARG A 29 11.692 0.367 4.022 1.00 43.43 C ATOM 463 C ARG A 29 12.941 -0.245 3.375 1.00 41.54 C ATOM 464 O ARG A 29 13.071 -1.466 3.255 1.00 3.23 O ATOM 465 CB ARG A 29 12.032 0.933 5.410 1.00 40.54 C ATOM 466 CG ARG A 29 10.877 1.703 6.045 1.00 33.33 C ATOM 467 CD ARG A 29 11.264 2.344 7.375 1.00 53.40 C ATOM 468 NE ARG A 29 10.156 3.114 7.936 1.00 1.31 N ATOM 469 CZ ARG A 29 10.260 3.966 8.922 1.00 13.32 C ATOM 470 NH1 ARG A 29 11.386 4.155 9.530 1.00 21.02 N ATOM 471 NH2 ARG A 29 9.213 4.614 9.310 1.00 12.03 N ATOM 0 H ARG A 29 10.644 -1.202 4.944 1.00 71.50 H new ATOM 0 HA ARG A 29 11.357 1.176 3.372 1.00 43.43 H new ATOM 0 HB2 ARG A 29 12.320 0.114 6.069 1.00 40.54 H new ATOM 0 HB3 ARG A 29 12.896 1.592 5.325 1.00 40.54 H new ATOM 0 HG2 ARG A 29 10.539 2.478 5.357 1.00 33.33 H new ATOM 0 HG3 ARG A 29 10.036 1.027 6.202 1.00 33.33 H new ATOM 0 HD2 ARG A 29 11.565 1.569 8.080 1.00 53.40 H new ATOM 0 HD3 ARG A 29 12.126 2.996 7.230 1.00 53.40 H new ATOM 0 HE ARG A 29 9.232 2.976 7.527 1.00 1.31 H new ATOM 0 HH11 ARG A 29 12.215 3.634 9.242 1.00 21.02 H new ATOM 0 HH12 ARG A 29 11.445 4.825 10.297 1.00 21.02 H new ATOM 0 HH21 ARG A 29 8.317 4.459 8.848 1.00 12.03 H new ATOM 0 HH22 ARG A 29 9.282 5.281 10.078 1.00 12.03 H new ATOM 485 N ILE A 30 13.854 0.619 2.952 1.00 71.53 N ATOM 486 CA ILE A 30 15.088 0.196 2.292 1.00 0.00 C ATOM 487 C ILE A 30 16.103 -0.344 3.313 1.00 2.41 C ATOM 488 O ILE A 30 16.628 0.401 4.140 1.00 22.55 O ATOM 489 CB ILE A 30 15.713 1.377 1.503 1.00 61.22 C ATOM 490 CG1 ILE A 30 14.671 1.975 0.539 1.00 21.44 C ATOM 491 CG2 ILE A 30 16.957 0.920 0.740 1.00 14.44 C ATOM 492 CD1 ILE A 30 15.126 3.246 -0.155 1.00 30.34 C ATOM 0 H ILE A 30 13.764 1.630 3.055 1.00 71.53 H new ATOM 0 HA ILE A 30 14.837 -0.605 1.597 1.00 0.00 H new ATOM 0 HB ILE A 30 16.018 2.148 2.210 1.00 61.22 H new ATOM 0 HG12 ILE A 30 14.422 1.230 -0.217 1.00 21.44 H new ATOM 0 HG13 ILE A 30 13.756 2.184 1.094 1.00 21.44 H new ATOM 0 HG21 ILE A 30 17.379 1.764 0.194 1.00 14.44 H new ATOM 0 HG22 ILE A 30 17.696 0.537 1.444 1.00 14.44 H new ATOM 0 HG23 ILE A 30 16.684 0.133 0.037 1.00 14.44 H new ATOM 0 HD11 ILE A 30 14.336 3.603 -0.816 1.00 30.34 H new ATOM 0 HD12 ILE A 30 15.347 4.009 0.591 1.00 30.34 H new ATOM 0 HD13 ILE A 30 16.023 3.040 -0.740 1.00 30.34 H new ATOM 504 N GLN A 31 16.360 -1.646 3.267 1.00 40.44 N ATOM 505 CA GLN A 31 17.296 -2.276 4.202 1.00 21.43 C ATOM 506 C GLN A 31 18.756 -2.117 3.737 1.00 42.34 C ATOM 507 O GLN A 31 19.042 -2.092 2.540 1.00 64.24 O ATOM 508 CB GLN A 31 16.961 -3.768 4.369 1.00 44.33 C ATOM 509 CG GLN A 31 17.867 -4.492 5.362 1.00 75.13 C ATOM 510 CD GLN A 31 17.581 -5.979 5.456 1.00 51.02 C ATOM 511 OE1 GLN A 31 17.136 -6.605 4.503 1.00 3.35 O ATOM 512 NE2 GLN A 31 17.851 -6.560 6.606 1.00 3.23 N ATOM 0 H GLN A 31 15.937 -2.288 2.596 1.00 40.44 H new ATOM 0 HA GLN A 31 17.191 -1.771 5.162 1.00 21.43 H new ATOM 0 HB2 GLN A 31 15.926 -3.865 4.697 1.00 44.33 H new ATOM 0 HB3 GLN A 31 17.035 -4.259 3.399 1.00 44.33 H new ATOM 0 HG2 GLN A 31 18.907 -4.346 5.069 1.00 75.13 H new ATOM 0 HG3 GLN A 31 17.748 -4.042 6.348 1.00 75.13 H new ATOM 0 HE21 GLN A 31 18.221 -6.010 7.381 1.00 3.23 H new ATOM 0 HE22 GLN A 31 17.690 -7.561 6.722 1.00 3.23 H new ATOM 521 N ASN A 32 19.678 -2.004 4.695 1.00 51.20 N ATOM 522 CA ASN A 32 21.111 -1.939 4.384 1.00 23.52 C ATOM 523 C ASN A 32 21.725 -3.348 4.381 1.00 24.32 C ATOM 524 O ASN A 32 21.111 -4.308 4.853 1.00 1.03 O ATOM 525 CB ASN A 32 21.844 -1.046 5.392 1.00 54.55 C ATOM 526 CG ASN A 32 21.274 0.360 5.451 1.00 11.23 C ATOM 527 OD1 ASN A 32 21.623 1.219 4.650 1.00 53.55 O ATOM 528 ND2 ASN A 32 20.399 0.614 6.408 1.00 64.23 N ATOM 0 H ASN A 32 19.461 -1.956 5.690 1.00 51.20 H new ATOM 0 HA ASN A 32 21.224 -1.505 3.390 1.00 23.52 H new ATOM 0 HB2 ASN A 32 21.786 -1.499 6.382 1.00 54.55 H new ATOM 0 HB3 ASN A 32 22.900 -0.995 5.126 1.00 54.55 H new ATOM 0 HD21 ASN A 32 19.994 1.546 6.495 1.00 64.23 H new ATOM 0 HD22 ASN A 32 20.128 -0.122 7.060 1.00 64.23 H new ATOM 535 N GLU A 33 22.940 -3.474 3.859 1.00 53.31 N ATOM 536 CA GLU A 33 23.598 -4.782 3.776 1.00 23.54 C ATOM 537 C GLU A 33 24.122 -5.241 5.144 1.00 22.20 C ATOM 538 O GLU A 33 24.260 -6.441 5.393 1.00 50.41 O ATOM 539 CB GLU A 33 24.732 -4.743 2.751 1.00 22.30 C ATOM 540 CG GLU A 33 24.264 -4.353 1.353 1.00 42.43 C ATOM 541 CD GLU A 33 25.358 -4.488 0.308 1.00 14.31 C ATOM 542 OE1 GLU A 33 26.261 -3.629 0.272 1.00 51.24 O ATOM 543 OE2 GLU A 33 25.311 -5.454 -0.482 1.00 74.53 O ATOM 0 H GLU A 33 23.489 -2.698 3.489 1.00 53.31 H new ATOM 0 HA GLU A 33 22.853 -5.508 3.450 1.00 23.54 H new ATOM 0 HB2 GLU A 33 25.490 -4.034 3.084 1.00 22.30 H new ATOM 0 HB3 GLU A 33 25.208 -5.723 2.708 1.00 22.30 H new ATOM 0 HG2 GLU A 33 23.418 -4.979 1.070 1.00 42.43 H new ATOM 0 HG3 GLU A 33 23.907 -3.323 1.368 1.00 42.43 H new ATOM 550 N ASP A 34 24.386 -4.285 6.035 1.00 71.11 N ATOM 551 CA ASP A 34 24.830 -4.592 7.402 1.00 55.13 C ATOM 552 C ASP A 34 23.646 -4.964 8.325 1.00 62.21 C ATOM 553 O ASP A 34 23.668 -4.683 9.528 1.00 71.24 O ATOM 554 CB ASP A 34 25.598 -3.396 7.975 1.00 0.53 C ATOM 555 CG ASP A 34 26.871 -3.103 7.196 1.00 34.14 C ATOM 556 OD1 ASP A 34 27.881 -3.806 7.413 1.00 63.45 O ATOM 557 OD2 ASP A 34 26.870 -2.171 6.367 1.00 23.04 O ATOM 0 H ASP A 34 24.301 -3.288 5.837 1.00 71.11 H new ATOM 0 HA ASP A 34 25.487 -5.460 7.355 1.00 55.13 H new ATOM 0 HB2 ASP A 34 24.956 -2.515 7.963 1.00 0.53 H new ATOM 0 HB3 ASP A 34 25.849 -3.593 9.017 1.00 0.53 H new ATOM 562 N GLY A 35 22.612 -5.592 7.759 1.00 43.23 N ATOM 563 CA GLY A 35 21.488 -6.087 8.557 1.00 3.35 C ATOM 564 C GLY A 35 20.452 -5.019 8.910 1.00 71.21 C ATOM 565 O GLY A 35 19.247 -5.240 8.757 1.00 14.32 O ATOM 0 H GLY A 35 22.530 -5.769 6.758 1.00 43.23 H new ATOM 0 HA2 GLY A 35 20.994 -6.890 8.010 1.00 3.35 H new ATOM 0 HA3 GLY A 35 21.875 -6.521 9.479 1.00 3.35 H new ATOM 569 N SER A 36 20.916 -3.871 9.398 1.00 10.43 N ATOM 570 CA SER A 36 20.020 -2.787 9.834 1.00 45.34 C ATOM 571 C SER A 36 19.243 -2.165 8.667 1.00 34.32 C ATOM 572 O SER A 36 19.756 -2.035 7.556 1.00 71.02 O ATOM 573 CB SER A 36 20.811 -1.688 10.557 1.00 72.15 C ATOM 574 OG SER A 36 21.510 -2.204 11.682 1.00 71.34 O ATOM 0 H SER A 36 21.908 -3.661 9.504 1.00 10.43 H new ATOM 0 HA SER A 36 19.300 -3.237 10.518 1.00 45.34 H new ATOM 0 HB2 SER A 36 21.519 -1.233 9.865 1.00 72.15 H new ATOM 0 HB3 SER A 36 20.130 -0.901 10.880 1.00 72.15 H new ATOM 0 HG SER A 36 22.005 -1.480 12.120 1.00 71.34 H new ATOM 580 N VAL A 37 18.007 -1.762 8.939 1.00 54.31 N ATOM 581 CA VAL A 37 17.134 -1.165 7.925 1.00 65.22 C ATOM 582 C VAL A 37 17.185 0.368 7.983 1.00 75.32 C ATOM 583 O VAL A 37 17.238 0.954 9.065 1.00 64.40 O ATOM 584 CB VAL A 37 15.669 -1.630 8.123 1.00 34.10 C ATOM 585 CG1 VAL A 37 14.784 -1.180 6.960 1.00 4.13 C ATOM 586 CG2 VAL A 37 15.615 -3.146 8.303 1.00 51.52 C ATOM 0 H VAL A 37 17.580 -1.838 9.862 1.00 54.31 H new ATOM 0 HA VAL A 37 17.493 -1.496 6.951 1.00 65.22 H new ATOM 0 HB VAL A 37 15.280 -1.163 9.028 1.00 34.10 H new ATOM 0 HG11 VAL A 37 13.762 -1.521 7.127 1.00 4.13 H new ATOM 0 HG12 VAL A 37 14.797 -0.092 6.893 1.00 4.13 H new ATOM 0 HG13 VAL A 37 15.161 -1.606 6.030 1.00 4.13 H new ATOM 0 HG21 VAL A 37 14.580 -3.459 8.441 1.00 51.52 H new ATOM 0 HG22 VAL A 37 16.026 -3.632 7.418 1.00 51.52 H new ATOM 0 HG23 VAL A 37 16.200 -3.430 9.178 1.00 51.52 H new ATOM 596 N SER A 38 17.177 1.015 6.819 1.00 3.12 N ATOM 597 CA SER A 38 17.183 2.485 6.752 1.00 60.01 C ATOM 598 C SER A 38 15.806 3.063 7.093 1.00 34.21 C ATOM 599 O SER A 38 14.821 2.333 7.234 1.00 71.34 O ATOM 600 CB SER A 38 17.607 2.973 5.358 1.00 11.23 C ATOM 601 OG SER A 38 17.567 4.394 5.270 1.00 54.22 O ATOM 0 H SER A 38 17.166 0.552 5.910 1.00 3.12 H new ATOM 0 HA SER A 38 17.906 2.835 7.489 1.00 60.01 H new ATOM 0 HB2 SER A 38 18.615 2.622 5.139 1.00 11.23 H new ATOM 0 HB3 SER A 38 16.949 2.542 4.604 1.00 11.23 H new ATOM 0 HG SER A 38 17.793 4.672 4.358 1.00 54.22 H new ATOM 607 N ASP A 39 15.745 4.379 7.229 1.00 44.34 N ATOM 608 CA ASP A 39 14.487 5.074 7.502 1.00 12.23 C ATOM 609 C ASP A 39 13.746 5.385 6.198 1.00 25.12 C ATOM 610 O ASP A 39 12.544 5.644 6.195 1.00 41.25 O ATOM 611 CB ASP A 39 14.770 6.358 8.284 1.00 4.23 C ATOM 612 CG ASP A 39 15.636 6.085 9.498 1.00 53.14 C ATOM 613 OD1 ASP A 39 15.139 5.468 10.460 1.00 14.23 O ATOM 614 OD2 ASP A 39 16.826 6.463 9.485 1.00 35.52 O ATOM 0 H ASP A 39 16.555 4.994 7.155 1.00 44.34 H new ATOM 0 HA ASP A 39 13.847 4.427 8.103 1.00 12.23 H new ATOM 0 HB2 ASP A 39 15.267 7.079 7.635 1.00 4.23 H new ATOM 0 HB3 ASP A 39 13.829 6.809 8.600 1.00 4.23 H new ATOM 619 N GLU A 40 14.484 5.342 5.093 1.00 13.34 N ATOM 620 CA GLU A 40 13.921 5.565 3.760 1.00 24.41 C ATOM 621 C GLU A 40 12.950 4.438 3.389 1.00 12.43 C ATOM 622 O GLU A 40 13.230 3.263 3.630 1.00 42.25 O ATOM 623 CB GLU A 40 15.058 5.641 2.733 1.00 33.14 C ATOM 624 CG GLU A 40 16.165 6.615 3.121 1.00 55.12 C ATOM 625 CD GLU A 40 17.347 6.575 2.167 1.00 44.32 C ATOM 626 OE1 GLU A 40 18.179 5.650 2.286 1.00 4.13 O ATOM 627 OE2 GLU A 40 17.445 7.464 1.293 1.00 33.32 O ATOM 0 H GLU A 40 15.486 5.152 5.093 1.00 13.34 H new ATOM 0 HA GLU A 40 13.369 6.505 3.761 1.00 24.41 H new ATOM 0 HB2 GLU A 40 15.488 4.648 2.605 1.00 33.14 H new ATOM 0 HB3 GLU A 40 14.646 5.937 1.768 1.00 33.14 H new ATOM 0 HG2 GLU A 40 15.760 7.626 3.147 1.00 55.12 H new ATOM 0 HG3 GLU A 40 16.510 6.383 4.129 1.00 55.12 H new ATOM 634 N ILE A 41 11.814 4.787 2.795 1.00 71.35 N ATOM 635 CA ILE A 41 10.779 3.791 2.484 1.00 30.45 C ATOM 636 C ILE A 41 10.761 3.451 0.985 1.00 35.32 C ATOM 637 O ILE A 41 10.969 4.317 0.131 1.00 42.20 O ATOM 638 CB ILE A 41 9.369 4.276 2.924 1.00 75.44 C ATOM 639 CG1 ILE A 41 9.395 4.754 4.386 1.00 35.14 C ATOM 640 CG2 ILE A 41 8.337 3.155 2.750 1.00 2.51 C ATOM 641 CD1 ILE A 41 8.053 5.238 4.894 1.00 72.55 C ATOM 0 H ILE A 41 11.582 5.741 2.519 1.00 71.35 H new ATOM 0 HA ILE A 41 11.030 2.892 3.046 1.00 30.45 H new ATOM 0 HB ILE A 41 9.082 5.115 2.290 1.00 75.44 H new ATOM 0 HG12 ILE A 41 9.740 3.937 5.020 1.00 35.14 H new ATOM 0 HG13 ILE A 41 10.122 5.561 4.482 1.00 35.14 H new ATOM 0 HG21 ILE A 41 7.356 3.512 3.063 1.00 2.51 H new ATOM 0 HG22 ILE A 41 8.297 2.856 1.702 1.00 2.51 H new ATOM 0 HG23 ILE A 41 8.623 2.299 3.361 1.00 2.51 H new ATOM 0 HD11 ILE A 41 8.151 5.558 5.931 1.00 72.55 H new ATOM 0 HD12 ILE A 41 7.714 6.077 4.285 1.00 72.55 H new ATOM 0 HD13 ILE A 41 7.327 4.428 4.831 1.00 72.55 H new ATOM 653 N LYS A 42 10.520 2.180 0.672 1.00 3.55 N ATOM 654 CA LYS A 42 10.459 1.719 -0.719 1.00 31.32 C ATOM 655 C LYS A 42 9.007 1.713 -1.237 1.00 12.11 C ATOM 656 O LYS A 42 8.689 2.374 -2.231 1.00 72.23 O ATOM 657 CB LYS A 42 11.070 0.313 -0.827 1.00 21.20 C ATOM 658 CG LYS A 42 11.282 -0.171 -2.260 1.00 53.12 C ATOM 659 CD LYS A 42 12.203 0.766 -3.040 1.00 24.14 C ATOM 660 CE LYS A 42 12.589 0.187 -4.397 1.00 72.33 C ATOM 661 NZ LYS A 42 11.402 -0.057 -5.258 1.00 3.44 N ATOM 0 H LYS A 42 10.363 1.446 1.363 1.00 3.55 H new ATOM 0 HA LYS A 42 11.033 2.409 -1.338 1.00 31.32 H new ATOM 0 HB2 LYS A 42 12.028 0.305 -0.308 1.00 21.20 H new ATOM 0 HB3 LYS A 42 10.421 -0.393 -0.309 1.00 21.20 H new ATOM 0 HG2 LYS A 42 11.709 -1.174 -2.246 1.00 53.12 H new ATOM 0 HG3 LYS A 42 10.320 -0.241 -2.767 1.00 53.12 H new ATOM 0 HD2 LYS A 42 11.707 1.726 -3.183 1.00 24.14 H new ATOM 0 HD3 LYS A 42 13.104 0.957 -2.457 1.00 24.14 H new ATOM 0 HE2 LYS A 42 13.269 0.872 -4.903 1.00 72.33 H new ATOM 0 HE3 LYS A 42 13.129 -0.748 -4.251 1.00 72.33 H new ATOM 0 HZ1 LYS A 42 11.715 -0.337 -6.209 1.00 3.44 H new ATOM 0 HZ2 LYS A 42 10.824 -0.817 -4.846 1.00 3.44 H new ATOM 0 HZ3 LYS A 42 10.835 0.813 -5.322 1.00 3.44 H new ATOM 675 N GLU A 43 8.128 0.973 -0.555 1.00 3.14 N ATOM 676 CA GLU A 43 6.716 0.864 -0.956 1.00 21.31 C ATOM 677 C GLU A 43 5.770 0.946 0.260 1.00 71.35 C ATOM 678 O GLU A 43 6.115 0.516 1.363 1.00 73.22 O ATOM 679 CB GLU A 43 6.484 -0.462 -1.697 1.00 53.02 C ATOM 680 CG GLU A 43 7.391 -0.660 -2.910 1.00 55.42 C ATOM 681 CD GLU A 43 7.131 -1.958 -3.669 1.00 61.33 C ATOM 682 OE1 GLU A 43 6.021 -2.522 -3.554 1.00 11.13 O ATOM 683 OE2 GLU A 43 8.041 -2.422 -4.392 1.00 20.24 O ATOM 0 H GLU A 43 8.367 0.438 0.280 1.00 3.14 H new ATOM 0 HA GLU A 43 6.493 1.703 -1.615 1.00 21.31 H new ATOM 0 HB2 GLU A 43 6.638 -1.287 -1.002 1.00 53.02 H new ATOM 0 HB3 GLU A 43 5.444 -0.509 -2.021 1.00 53.02 H new ATOM 0 HG2 GLU A 43 7.259 0.181 -3.591 1.00 55.42 H new ATOM 0 HG3 GLU A 43 8.430 -0.644 -2.581 1.00 55.42 H new ATOM 690 N ARG A 44 4.575 1.495 0.044 1.00 21.21 N ATOM 691 CA ARG A 44 3.542 1.579 1.089 1.00 70.43 C ATOM 692 C ARG A 44 2.366 0.637 0.784 1.00 63.12 C ATOM 693 O ARG A 44 1.611 0.860 -0.160 1.00 55.01 O ATOM 694 CB ARG A 44 3.031 3.025 1.232 1.00 45.05 C ATOM 695 CG ARG A 44 3.946 3.927 2.061 1.00 72.41 C ATOM 696 CD ARG A 44 3.414 5.359 2.151 1.00 13.20 C ATOM 697 NE ARG A 44 3.874 6.033 3.364 1.00 73.14 N ATOM 698 CZ ARG A 44 4.192 7.298 3.444 1.00 13.41 C ATOM 699 NH1 ARG A 44 4.169 8.058 2.392 1.00 13.22 N ATOM 700 NH2 ARG A 44 4.535 7.798 4.591 1.00 44.53 N ATOM 0 H ARG A 44 4.292 1.893 -0.852 1.00 21.21 H new ATOM 0 HA ARG A 44 3.997 1.269 2.030 1.00 70.43 H new ATOM 0 HB2 ARG A 44 2.913 3.458 0.239 1.00 45.05 H new ATOM 0 HB3 ARG A 44 2.042 3.007 1.691 1.00 45.05 H new ATOM 0 HG2 ARG A 44 4.048 3.515 3.065 1.00 72.41 H new ATOM 0 HG3 ARG A 44 4.942 3.938 1.618 1.00 72.41 H new ATOM 0 HD2 ARG A 44 3.738 5.923 1.276 1.00 13.20 H new ATOM 0 HD3 ARG A 44 2.324 5.344 2.134 1.00 13.20 H new ATOM 0 HE ARG A 44 3.953 5.473 4.213 1.00 73.14 H new ATOM 0 HH11 ARG A 44 3.900 7.670 1.488 1.00 13.22 H new ATOM 0 HH12 ARG A 44 4.420 9.044 2.469 1.00 13.22 H new ATOM 0 HH21 ARG A 44 4.555 7.205 5.421 1.00 44.53 H new ATOM 0 HH22 ARG A 44 4.785 8.784 4.663 1.00 44.53 H new ATOM 714 N THR A 45 2.213 -0.411 1.598 1.00 5.11 N ATOM 715 CA THR A 45 1.155 -1.414 1.391 1.00 31.51 C ATOM 716 C THR A 45 -0.044 -1.207 2.338 1.00 0.24 C ATOM 717 O THR A 45 0.113 -1.182 3.562 1.00 32.21 O ATOM 718 CB THR A 45 1.704 -2.850 1.590 1.00 72.15 C ATOM 719 OG1 THR A 45 2.804 -3.089 0.697 1.00 61.20 O ATOM 720 CG2 THR A 45 0.619 -3.896 1.343 1.00 23.04 C ATOM 0 H THR A 45 2.807 -0.590 2.408 1.00 5.11 H new ATOM 0 HA THR A 45 0.812 -1.285 0.364 1.00 31.51 H new ATOM 0 HB THR A 45 2.043 -2.935 2.623 1.00 72.15 H new ATOM 0 HG1 THR A 45 3.144 -3.998 0.832 1.00 61.20 H new ATOM 0 HG21 THR A 45 1.034 -4.893 1.490 1.00 23.04 H new ATOM 0 HG22 THR A 45 -0.203 -3.739 2.041 1.00 23.04 H new ATOM 0 HG23 THR A 45 0.250 -3.804 0.321 1.00 23.04 H new ATOM 728 N TYR A 46 -1.239 -1.070 1.760 1.00 72.31 N ATOM 729 CA TYR A 46 -2.484 -0.909 2.527 1.00 64.42 C ATOM 730 C TYR A 46 -3.433 -2.101 2.298 1.00 72.20 C ATOM 731 O TYR A 46 -3.310 -2.822 1.307 1.00 2.03 O ATOM 732 CB TYR A 46 -3.202 0.385 2.108 1.00 24.54 C ATOM 733 CG TYR A 46 -2.336 1.634 2.166 1.00 64.14 C ATOM 734 CD1 TYR A 46 -2.236 2.391 3.331 1.00 10.33 C ATOM 735 CD2 TYR A 46 -1.627 2.064 1.047 1.00 52.42 C ATOM 736 CE1 TYR A 46 -1.457 3.532 3.375 1.00 3.43 C ATOM 737 CE2 TYR A 46 -0.844 3.201 1.089 1.00 14.31 C ATOM 738 CZ TYR A 46 -0.765 3.932 2.254 1.00 61.03 C ATOM 739 OH TYR A 46 0.009 5.069 2.295 1.00 3.12 O ATOM 0 H TYR A 46 -1.375 -1.067 0.749 1.00 72.31 H new ATOM 0 HA TYR A 46 -2.219 -0.862 3.583 1.00 64.42 H new ATOM 0 HB2 TYR A 46 -3.577 0.265 1.091 1.00 24.54 H new ATOM 0 HB3 TYR A 46 -4.069 0.529 2.752 1.00 24.54 H new ATOM 0 HD1 TYR A 46 -2.776 2.082 4.214 1.00 10.33 H new ATOM 0 HD2 TYR A 46 -1.691 1.498 0.129 1.00 52.42 H new ATOM 0 HE1 TYR A 46 -1.391 4.108 4.286 1.00 3.43 H new ATOM 0 HE2 TYR A 46 -0.296 3.515 0.213 1.00 14.31 H new ATOM 0 HH TYR A 46 0.035 5.479 1.405 1.00 3.12 H new ATOM 749 N ASP A 47 -4.391 -2.289 3.207 1.00 30.42 N ATOM 750 CA ASP A 47 -5.391 -3.358 3.077 1.00 43.40 C ATOM 751 C ASP A 47 -6.734 -2.819 2.558 1.00 23.44 C ATOM 752 O ASP A 47 -7.310 -1.893 3.140 1.00 32.11 O ATOM 753 CB ASP A 47 -5.611 -4.039 4.429 1.00 41.22 C ATOM 754 CG ASP A 47 -4.417 -4.857 4.876 1.00 10.31 C ATOM 755 OD1 ASP A 47 -3.932 -5.686 4.087 1.00 31.42 O ATOM 756 OD2 ASP A 47 -3.978 -4.696 6.033 1.00 14.53 O ATOM 0 H ASP A 47 -4.498 -1.716 4.044 1.00 30.42 H new ATOM 0 HA ASP A 47 -5.007 -4.078 2.354 1.00 43.40 H new ATOM 0 HB2 ASP A 47 -5.828 -3.281 5.181 1.00 41.22 H new ATOM 0 HB3 ASP A 47 -6.486 -4.686 4.367 1.00 41.22 H new ATOM 761 N LEU A 48 -7.238 -3.407 1.471 1.00 71.11 N ATOM 762 CA LEU A 48 -8.534 -3.006 0.901 1.00 1.32 C ATOM 763 C LEU A 48 -9.509 -4.200 0.802 1.00 15.00 C ATOM 764 O LEU A 48 -9.131 -5.290 0.362 1.00 50.42 O ATOM 765 CB LEU A 48 -8.333 -2.384 -0.495 1.00 63.43 C ATOM 766 CG LEU A 48 -7.353 -1.194 -0.571 1.00 44.41 C ATOM 767 CD1 LEU A 48 -7.282 -0.634 -1.990 1.00 44.21 C ATOM 768 CD2 LEU A 48 -7.744 -0.098 0.412 1.00 15.34 C ATOM 0 H LEU A 48 -6.773 -4.161 0.966 1.00 71.11 H new ATOM 0 HA LEU A 48 -8.972 -2.267 1.572 1.00 1.32 H new ATOM 0 HB2 LEU A 48 -7.980 -3.163 -1.171 1.00 63.43 H new ATOM 0 HB3 LEU A 48 -9.303 -2.054 -0.867 1.00 63.43 H new ATOM 0 HG LEU A 48 -6.365 -1.563 -0.297 1.00 44.41 H new ATOM 0 HD11 LEU A 48 -6.585 0.203 -2.016 1.00 44.21 H new ATOM 0 HD12 LEU A 48 -6.940 -1.413 -2.672 1.00 44.21 H new ATOM 0 HD13 LEU A 48 -8.271 -0.293 -2.296 1.00 44.21 H new ATOM 0 HD21 LEU A 48 -7.036 0.728 0.337 1.00 15.34 H new ATOM 0 HD22 LEU A 48 -8.746 0.261 0.177 1.00 15.34 H new ATOM 0 HD23 LEU A 48 -7.730 -0.497 1.426 1.00 15.34 H new ATOM 780 N LYS A 49 -10.763 -3.992 1.220 1.00 32.31 N ATOM 781 CA LYS A 49 -11.811 -5.013 1.053 1.00 12.51 C ATOM 782 C LYS A 49 -12.386 -4.995 -0.371 1.00 52.33 C ATOM 783 O LYS A 49 -12.484 -3.940 -1.003 1.00 53.12 O ATOM 784 CB LYS A 49 -12.972 -4.818 2.051 1.00 31.24 C ATOM 785 CG LYS A 49 -12.701 -5.306 3.474 1.00 11.34 C ATOM 786 CD LYS A 49 -11.860 -4.320 4.275 1.00 11.43 C ATOM 787 CE LYS A 49 -11.712 -4.755 5.731 1.00 74.23 C ATOM 788 NZ LYS A 49 -10.957 -6.028 5.866 1.00 33.11 N ATOM 0 H LYS A 49 -11.078 -3.134 1.673 1.00 32.31 H new ATOM 0 HA LYS A 49 -11.332 -5.973 1.246 1.00 12.51 H new ATOM 0 HB2 LYS A 49 -13.221 -3.758 2.090 1.00 31.24 H new ATOM 0 HB3 LYS A 49 -13.850 -5.338 1.667 1.00 31.24 H new ATOM 0 HG2 LYS A 49 -13.649 -5.470 3.986 1.00 11.34 H new ATOM 0 HG3 LYS A 49 -12.189 -6.268 3.434 1.00 11.34 H new ATOM 0 HD2 LYS A 49 -10.874 -4.230 3.820 1.00 11.43 H new ATOM 0 HD3 LYS A 49 -12.321 -3.333 4.235 1.00 11.43 H new ATOM 0 HE2 LYS A 49 -11.202 -3.972 6.292 1.00 74.23 H new ATOM 0 HE3 LYS A 49 -12.701 -4.873 6.175 1.00 74.23 H new ATOM 0 HZ1 LYS A 49 -10.824 -6.247 6.874 1.00 33.11 H new ATOM 0 HZ2 LYS A 49 -11.489 -6.797 5.412 1.00 33.11 H new ATOM 0 HZ3 LYS A 49 -10.029 -5.931 5.407 1.00 33.11 H new ATOM 802 N SER A 50 -12.779 -6.169 -0.858 1.00 32.32 N ATOM 803 CA SER A 50 -13.461 -6.289 -2.153 1.00 33.31 C ATOM 804 C SER A 50 -14.963 -6.009 -1.998 1.00 2.22 C ATOM 805 O SER A 50 -15.482 -5.981 -0.884 1.00 42.31 O ATOM 806 CB SER A 50 -13.265 -7.695 -2.740 1.00 72.42 C ATOM 807 OG SER A 50 -13.965 -8.678 -1.983 1.00 60.03 O ATOM 0 H SER A 50 -12.638 -7.057 -0.376 1.00 32.32 H new ATOM 0 HA SER A 50 -13.026 -5.554 -2.830 1.00 33.31 H new ATOM 0 HB2 SER A 50 -13.615 -7.712 -3.772 1.00 72.42 H new ATOM 0 HB3 SER A 50 -12.203 -7.938 -2.760 1.00 72.42 H new ATOM 0 HG SER A 50 -13.822 -9.561 -2.382 1.00 60.03 H new ATOM 866 N ARG A 55 -12.069 -11.716 -0.357 1.00 4.33 N ATOM 867 CA ARG A 55 -10.606 -11.621 -0.388 1.00 0.31 C ATOM 868 C ARG A 55 -10.109 -10.243 0.086 1.00 33.21 C ATOM 869 O ARG A 55 -10.669 -9.206 -0.279 1.00 41.12 O ATOM 870 CB ARG A 55 -10.078 -11.905 -1.806 1.00 55.14 C ATOM 871 CG ARG A 55 -10.662 -10.997 -2.885 1.00 71.13 C ATOM 872 CD ARG A 55 -9.998 -11.223 -4.243 1.00 72.34 C ATOM 873 NE ARG A 55 -10.053 -12.625 -4.661 1.00 72.51 N ATOM 874 CZ ARG A 55 -10.520 -13.039 -5.812 1.00 61.02 C ATOM 875 NH1 ARG A 55 -11.014 -12.199 -6.665 1.00 33.00 N ATOM 876 NH2 ARG A 55 -10.495 -14.299 -6.106 1.00 11.21 N ATOM 0 HA ARG A 55 -10.220 -12.372 0.301 1.00 0.31 H new ATOM 0 HB2 ARG A 55 -8.993 -11.799 -1.806 1.00 55.14 H new ATOM 0 HB3 ARG A 55 -10.297 -12.942 -2.062 1.00 55.14 H new ATOM 0 HG2 ARG A 55 -11.733 -11.178 -2.971 1.00 71.13 H new ATOM 0 HG3 ARG A 55 -10.537 -9.955 -2.589 1.00 71.13 H new ATOM 0 HD2 ARG A 55 -10.489 -10.603 -4.993 1.00 72.34 H new ATOM 0 HD3 ARG A 55 -8.958 -10.901 -4.195 1.00 72.34 H new ATOM 0 HE ARG A 55 -9.703 -13.328 -4.010 1.00 72.51 H new ATOM 0 HH11 ARG A 55 -11.042 -11.204 -6.443 1.00 33.00 H new ATOM 0 HH12 ARG A 55 -11.375 -12.533 -7.559 1.00 33.00 H new ATOM 0 HH21 ARG A 55 -10.111 -14.970 -5.441 1.00 11.21 H new ATOM 0 HH22 ARG A 55 -10.859 -14.621 -7.003 1.00 11.21 H new ATOM 890 N MET A 56 -9.056 -10.248 0.905 1.00 74.11 N ATOM 891 CA MET A 56 -8.387 -9.012 1.319 1.00 44.13 C ATOM 892 C MET A 56 -7.162 -8.765 0.431 1.00 55.22 C ATOM 893 O MET A 56 -6.174 -9.498 0.504 1.00 12.43 O ATOM 894 CB MET A 56 -7.957 -9.098 2.792 1.00 31.14 C ATOM 895 CG MET A 56 -7.330 -7.811 3.324 1.00 1.53 C ATOM 896 SD MET A 56 -6.659 -7.987 4.992 1.00 34.22 S ATOM 897 CE MET A 56 -8.104 -8.533 5.903 1.00 73.42 C ATOM 0 H MET A 56 -8.647 -11.096 1.296 1.00 74.11 H new ATOM 0 HA MET A 56 -9.086 -8.183 1.210 1.00 44.13 H new ATOM 0 HB2 MET A 56 -8.826 -9.347 3.401 1.00 31.14 H new ATOM 0 HB3 MET A 56 -7.243 -9.914 2.906 1.00 31.14 H new ATOM 0 HG2 MET A 56 -6.534 -7.496 2.650 1.00 1.53 H new ATOM 0 HG3 MET A 56 -8.080 -7.020 3.322 1.00 1.53 H new ATOM 0 HE1 MET A 56 -7.921 -8.428 6.972 1.00 73.42 H new ATOM 0 HE2 MET A 56 -8.963 -7.925 5.620 1.00 73.42 H new ATOM 0 HE3 MET A 56 -8.307 -9.578 5.671 1.00 73.42 H new ATOM 907 N ILE A 57 -7.229 -7.744 -0.415 1.00 53.30 N ATOM 908 CA ILE A 57 -6.142 -7.459 -1.359 1.00 22.00 C ATOM 909 C ILE A 57 -5.176 -6.408 -0.792 1.00 51.14 C ATOM 910 O ILE A 57 -5.594 -5.335 -0.343 1.00 64.42 O ATOM 911 CB ILE A 57 -6.698 -6.988 -2.731 1.00 21.32 C ATOM 912 CG1 ILE A 57 -7.585 -5.743 -2.566 1.00 11.04 C ATOM 913 CG2 ILE A 57 -7.480 -8.118 -3.403 1.00 73.14 C ATOM 914 CD1 ILE A 57 -8.169 -5.224 -3.866 1.00 14.51 C ATOM 0 H ILE A 57 -8.018 -7.100 -0.471 1.00 53.30 H new ATOM 0 HA ILE A 57 -5.592 -8.388 -1.510 1.00 22.00 H new ATOM 0 HB ILE A 57 -5.855 -6.720 -3.368 1.00 21.32 H new ATOM 0 HG12 ILE A 57 -8.400 -5.979 -1.882 1.00 11.04 H new ATOM 0 HG13 ILE A 57 -6.998 -4.951 -2.101 1.00 11.04 H new ATOM 0 HG21 ILE A 57 -7.864 -7.774 -4.363 1.00 73.14 H new ATOM 0 HG22 ILE A 57 -6.822 -8.972 -3.560 1.00 73.14 H new ATOM 0 HG23 ILE A 57 -8.312 -8.414 -2.765 1.00 73.14 H new ATOM 0 HD11 ILE A 57 -8.782 -4.345 -3.664 1.00 14.51 H new ATOM 0 HD12 ILE A 57 -7.361 -4.955 -4.546 1.00 14.51 H new ATOM 0 HD13 ILE A 57 -8.785 -5.999 -4.323 1.00 14.51 H new ATOM 926 N GLN A 58 -3.880 -6.725 -0.795 1.00 3.21 N ATOM 927 CA GLN A 58 -2.876 -5.812 -0.243 1.00 44.55 C ATOM 928 C GLN A 58 -2.292 -4.920 -1.345 1.00 30.33 C ATOM 929 O GLN A 58 -1.508 -5.366 -2.182 1.00 1.15 O ATOM 930 CB GLN A 58 -1.775 -6.605 0.475 1.00 21.30 C ATOM 931 CG GLN A 58 -2.299 -7.419 1.658 1.00 64.42 C ATOM 932 CD GLN A 58 -1.214 -8.160 2.427 1.00 71.03 C ATOM 933 OE1 GLN A 58 -0.070 -7.724 2.503 1.00 44.40 O ATOM 934 NE2 GLN A 58 -1.569 -9.285 3.016 1.00 52.11 N ATOM 0 H GLN A 58 -3.503 -7.596 -1.169 1.00 3.21 H new ATOM 0 HA GLN A 58 -3.357 -5.162 0.488 1.00 44.55 H new ATOM 0 HB2 GLN A 58 -1.296 -7.277 -0.237 1.00 21.30 H new ATOM 0 HB3 GLN A 58 -1.009 -5.915 0.827 1.00 21.30 H new ATOM 0 HG2 GLN A 58 -2.823 -6.751 2.342 1.00 64.42 H new ATOM 0 HG3 GLN A 58 -3.030 -8.141 1.294 1.00 64.42 H new ATOM 0 HE21 GLN A 58 -2.528 -9.623 2.935 1.00 52.11 H new ATOM 0 HE22 GLN A 58 -0.885 -9.818 3.553 1.00 52.11 H new ATOM 943 N VAL A 59 -2.698 -3.654 -1.346 1.00 54.43 N ATOM 944 CA VAL A 59 -2.306 -2.711 -2.398 1.00 73.44 C ATOM 945 C VAL A 59 -1.074 -1.889 -2.002 1.00 72.30 C ATOM 946 O VAL A 59 -1.081 -1.187 -0.994 1.00 11.42 O ATOM 947 CB VAL A 59 -3.475 -1.757 -2.749 1.00 74.55 C ATOM 948 CG1 VAL A 59 -3.033 -0.692 -3.752 1.00 52.22 C ATOM 949 CG2 VAL A 59 -4.664 -2.555 -3.287 1.00 21.33 C ATOM 0 H VAL A 59 -3.301 -3.252 -0.628 1.00 54.43 H new ATOM 0 HA VAL A 59 -2.051 -3.306 -3.275 1.00 73.44 H new ATOM 0 HB VAL A 59 -3.785 -1.244 -1.839 1.00 74.55 H new ATOM 0 HG11 VAL A 59 -3.873 -0.036 -3.980 1.00 52.22 H new ATOM 0 HG12 VAL A 59 -2.220 -0.105 -3.325 1.00 52.22 H new ATOM 0 HG13 VAL A 59 -2.690 -1.174 -4.667 1.00 52.22 H new ATOM 0 HG21 VAL A 59 -5.479 -1.874 -3.530 1.00 21.33 H new ATOM 0 HG22 VAL A 59 -4.363 -3.096 -4.184 1.00 21.33 H new ATOM 0 HG23 VAL A 59 -4.998 -3.265 -2.530 1.00 21.33 H new ATOM 959 N SER A 60 -0.025 -1.966 -2.817 1.00 40.53 N ATOM 960 CA SER A 60 1.232 -1.259 -2.534 1.00 43.31 C ATOM 961 C SER A 60 1.509 -0.171 -3.579 1.00 53.30 C ATOM 962 O SER A 60 1.436 -0.416 -4.783 1.00 35.12 O ATOM 963 CB SER A 60 2.407 -2.248 -2.490 1.00 75.34 C ATOM 964 OG SER A 60 3.604 -1.606 -2.082 1.00 34.13 O ATOM 0 H SER A 60 -0.015 -2.510 -3.680 1.00 40.53 H new ATOM 0 HA SER A 60 1.128 -0.780 -1.560 1.00 43.31 H new ATOM 0 HB2 SER A 60 2.175 -3.061 -1.803 1.00 75.34 H new ATOM 0 HB3 SER A 60 2.548 -2.693 -3.475 1.00 75.34 H new ATOM 0 HG SER A 60 4.349 -1.920 -2.636 1.00 34.13 H new ATOM 970 N ILE A 61 1.814 1.035 -3.108 1.00 1.22 N ATOM 971 CA ILE A 61 2.138 2.164 -3.989 1.00 0.51 C ATOM 972 C ILE A 61 3.554 2.697 -3.704 1.00 34.41 C ATOM 973 O ILE A 61 4.082 2.510 -2.603 1.00 43.12 O ATOM 974 CB ILE A 61 1.116 3.323 -3.828 1.00 71.55 C ATOM 975 CG1 ILE A 61 1.074 3.815 -2.367 1.00 42.23 C ATOM 976 CG2 ILE A 61 -0.272 2.885 -4.299 1.00 21.33 C ATOM 977 CD1 ILE A 61 0.139 4.985 -2.140 1.00 1.23 C ATOM 0 H ILE A 61 1.845 1.261 -2.114 1.00 1.22 H new ATOM 0 HA ILE A 61 2.091 1.792 -5.012 1.00 0.51 H new ATOM 0 HB ILE A 61 1.439 4.155 -4.453 1.00 71.55 H new ATOM 0 HG12 ILE A 61 0.769 2.989 -1.724 1.00 42.23 H new ATOM 0 HG13 ILE A 61 2.080 4.102 -2.062 1.00 42.23 H new ATOM 0 HG21 ILE A 61 -0.974 3.710 -4.179 1.00 21.33 H new ATOM 0 HG22 ILE A 61 -0.226 2.598 -5.350 1.00 21.33 H new ATOM 0 HG23 ILE A 61 -0.606 2.034 -3.705 1.00 21.33 H new ATOM 0 HD11 ILE A 61 0.165 5.273 -1.089 1.00 1.23 H new ATOM 0 HD12 ILE A 61 0.455 5.828 -2.755 1.00 1.23 H new ATOM 0 HD13 ILE A 61 -0.876 4.697 -2.413 1.00 1.23 H new ATOM 989 N PRO A 62 4.194 3.366 -4.690 1.00 12.13 N ATOM 990 CA PRO A 62 5.532 3.959 -4.505 1.00 22.32 C ATOM 991 C PRO A 62 5.597 4.889 -3.280 1.00 43.22 C ATOM 992 O PRO A 62 4.808 5.829 -3.157 1.00 53.05 O ATOM 993 CB PRO A 62 5.768 4.749 -5.809 1.00 61.31 C ATOM 994 CG PRO A 62 4.428 4.837 -6.468 1.00 2.22 C ATOM 995 CD PRO A 62 3.682 3.601 -6.050 1.00 1.44 C ATOM 0 HA PRO A 62 6.290 3.198 -4.319 1.00 22.32 H new ATOM 0 HB2 PRO A 62 6.169 5.741 -5.600 1.00 61.31 H new ATOM 0 HB3 PRO A 62 6.489 4.242 -6.451 1.00 61.31 H new ATOM 0 HG2 PRO A 62 3.898 5.737 -6.157 1.00 2.22 H new ATOM 0 HG3 PRO A 62 4.528 4.885 -7.552 1.00 2.22 H new ATOM 0 HD2 PRO A 62 2.603 3.756 -6.056 1.00 1.44 H new ATOM 0 HD3 PRO A 62 3.887 2.760 -6.712 1.00 1.44 H new ATOM 1003 N ALA A 63 6.549 4.630 -2.382 1.00 24.01 N ATOM 1004 CA ALA A 63 6.660 5.377 -1.118 1.00 64.35 C ATOM 1005 C ALA A 63 6.830 6.889 -1.327 1.00 73.41 C ATOM 1006 O ALA A 63 6.575 7.681 -0.419 1.00 15.44 O ATOM 1007 CB ALA A 63 7.811 4.831 -0.287 1.00 61.03 C ATOM 0 H ALA A 63 7.258 3.907 -2.503 1.00 24.01 H new ATOM 0 HA ALA A 63 5.719 5.237 -0.586 1.00 64.35 H new ATOM 0 HB1 ALA A 63 7.884 5.391 0.646 1.00 61.03 H new ATOM 0 HB2 ALA A 63 7.633 3.779 -0.066 1.00 61.03 H new ATOM 0 HB3 ALA A 63 8.742 4.932 -0.845 1.00 61.03 H new ATOM 1013 N SER A 64 7.271 7.283 -2.520 1.00 51.32 N ATOM 1014 CA SER A 64 7.389 8.706 -2.875 1.00 22.54 C ATOM 1015 C SER A 64 6.048 9.438 -2.721 1.00 4.25 C ATOM 1016 O SER A 64 6.006 10.629 -2.403 1.00 2.43 O ATOM 1017 CB SER A 64 7.891 8.850 -4.319 1.00 52.42 C ATOM 1018 OG SER A 64 7.930 10.210 -4.728 1.00 54.13 O ATOM 0 H SER A 64 7.554 6.641 -3.261 1.00 51.32 H new ATOM 0 HA SER A 64 8.106 9.160 -2.190 1.00 22.54 H new ATOM 0 HB2 SER A 64 8.887 8.416 -4.403 1.00 52.42 H new ATOM 0 HB3 SER A 64 7.241 8.287 -4.988 1.00 52.42 H new ATOM 0 HG SER A 64 8.255 10.265 -5.651 1.00 54.13 H new ATOM 1024 N VAL A 65 4.953 8.707 -2.936 1.00 20.15 N ATOM 1025 CA VAL A 65 3.600 9.265 -2.835 1.00 12.32 C ATOM 1026 C VAL A 65 3.150 9.386 -1.360 1.00 72.13 C ATOM 1027 O VAL A 65 3.327 8.453 -0.568 1.00 72.24 O ATOM 1028 CB VAL A 65 2.590 8.385 -3.621 1.00 63.11 C ATOM 1029 CG1 VAL A 65 1.206 9.029 -3.660 1.00 54.13 C ATOM 1030 CG2 VAL A 65 3.100 8.110 -5.036 1.00 44.13 C ATOM 0 H VAL A 65 4.976 7.718 -3.184 1.00 20.15 H new ATOM 0 HA VAL A 65 3.622 10.264 -3.270 1.00 12.32 H new ATOM 0 HB VAL A 65 2.499 7.433 -3.097 1.00 63.11 H new ATOM 0 HG11 VAL A 65 0.522 8.389 -4.217 1.00 54.13 H new ATOM 0 HG12 VAL A 65 0.836 9.157 -2.643 1.00 54.13 H new ATOM 0 HG13 VAL A 65 1.271 10.002 -4.148 1.00 54.13 H new ATOM 0 HG21 VAL A 65 2.378 7.492 -5.569 1.00 44.13 H new ATOM 0 HG22 VAL A 65 3.231 9.054 -5.565 1.00 44.13 H new ATOM 0 HG23 VAL A 65 4.055 7.588 -4.983 1.00 44.13 H new ATOM 1040 N PRO A 66 2.569 10.547 -0.969 1.00 1.15 N ATOM 1041 CA PRO A 66 2.126 10.809 0.419 1.00 33.44 C ATOM 1042 C PRO A 66 1.219 9.709 1.021 1.00 75.52 C ATOM 1043 O PRO A 66 0.571 8.938 0.302 1.00 44.23 O ATOM 1044 CB PRO A 66 1.359 12.146 0.312 1.00 4.23 C ATOM 1045 CG PRO A 66 1.164 12.386 -1.151 1.00 11.11 C ATOM 1046 CD PRO A 66 2.318 11.711 -1.834 1.00 60.54 C ATOM 0 HA PRO A 66 2.982 10.834 1.094 1.00 33.44 H new ATOM 0 HB2 PRO A 66 0.402 12.091 0.830 1.00 4.23 H new ATOM 0 HB3 PRO A 66 1.923 12.958 0.770 1.00 4.23 H new ATOM 0 HG2 PRO A 66 0.214 11.975 -1.491 1.00 11.11 H new ATOM 0 HG3 PRO A 66 1.148 13.453 -1.373 1.00 11.11 H new ATOM 0 HD2 PRO A 66 2.068 11.413 -2.852 1.00 60.54 H new ATOM 0 HD3 PRO A 66 3.189 12.363 -1.898 1.00 60.54 H new ATOM 1054 N LEU A 67 1.181 9.669 2.355 1.00 24.40 N ATOM 1055 CA LEU A 67 0.405 8.671 3.105 1.00 31.22 C ATOM 1056 C LEU A 67 -1.109 8.879 2.933 1.00 32.41 C ATOM 1057 O LEU A 67 -1.586 10.009 2.811 1.00 25.41 O ATOM 1058 CB LEU A 67 0.781 8.746 4.597 1.00 51.24 C ATOM 1059 CG LEU A 67 0.061 7.748 5.522 1.00 3.40 C ATOM 1060 CD1 LEU A 67 0.438 6.310 5.176 1.00 24.41 C ATOM 1061 CD2 LEU A 67 0.378 8.053 6.982 1.00 61.55 C ATOM 0 H LEU A 67 1.687 10.327 2.948 1.00 24.40 H new ATOM 0 HA LEU A 67 0.648 7.685 2.709 1.00 31.22 H new ATOM 0 HB2 LEU A 67 1.855 8.588 4.690 1.00 51.24 H new ATOM 0 HB3 LEU A 67 0.576 9.755 4.953 1.00 51.24 H new ATOM 0 HG LEU A 67 -1.013 7.857 5.371 1.00 3.40 H new ATOM 0 HD11 LEU A 67 -0.085 5.626 5.845 1.00 24.41 H new ATOM 0 HD12 LEU A 67 0.154 6.097 4.145 1.00 24.41 H new ATOM 0 HD13 LEU A 67 1.514 6.178 5.291 1.00 24.41 H new ATOM 0 HD21 LEU A 67 -0.138 7.339 7.623 1.00 61.55 H new ATOM 0 HD22 LEU A 67 1.453 7.976 7.145 1.00 61.55 H new ATOM 0 HD23 LEU A 67 0.046 9.063 7.223 1.00 61.55 H new ATOM 1073 N LYS A 68 -1.861 7.778 2.919 1.00 42.43 N ATOM 1074 CA LYS A 68 -3.325 7.837 2.783 1.00 45.10 C ATOM 1075 C LYS A 68 -4.023 7.927 4.147 1.00 31.14 C ATOM 1076 O LYS A 68 -3.811 7.095 5.029 1.00 62.42 O ATOM 1077 CB LYS A 68 -3.845 6.621 1.999 1.00 23.34 C ATOM 1078 CG LYS A 68 -3.778 6.787 0.481 1.00 63.42 C ATOM 1079 CD LYS A 68 -2.414 7.279 0.009 1.00 33.20 C ATOM 1080 CE LYS A 68 -2.414 7.591 -1.478 1.00 22.20 C ATOM 1081 NZ LYS A 68 -1.168 8.278 -1.896 1.00 44.40 N ATOM 0 H LYS A 68 -1.485 6.833 3.000 1.00 42.43 H new ATOM 0 HA LYS A 68 -3.562 8.745 2.229 1.00 45.10 H new ATOM 0 HB2 LYS A 68 -3.266 5.743 2.284 1.00 23.34 H new ATOM 0 HB3 LYS A 68 -4.878 6.429 2.288 1.00 23.34 H new ATOM 0 HG2 LYS A 68 -4.002 5.833 0.004 1.00 63.42 H new ATOM 0 HG3 LYS A 68 -4.546 7.491 0.161 1.00 63.42 H new ATOM 0 HD2 LYS A 68 -2.136 8.172 0.568 1.00 33.20 H new ATOM 0 HD3 LYS A 68 -1.660 6.521 0.222 1.00 33.20 H new ATOM 0 HE2 LYS A 68 -2.526 6.666 -2.044 1.00 22.20 H new ATOM 0 HE3 LYS A 68 -3.273 8.218 -1.718 1.00 22.20 H new ATOM 0 HZ1 LYS A 68 -1.279 8.639 -2.865 1.00 44.40 H new ATOM 0 HZ2 LYS A 68 -0.975 9.071 -1.251 1.00 44.40 H new ATOM 0 HZ3 LYS A 68 -0.374 7.606 -1.866 1.00 44.40 H new ATOM 1095 N GLU A 69 -4.869 8.942 4.295 1.00 63.13 N ATOM 1096 CA GLU A 69 -5.588 9.208 5.550 1.00 51.13 C ATOM 1097 C GLU A 69 -7.084 8.860 5.431 1.00 43.34 C ATOM 1098 O GLU A 69 -7.918 9.405 6.156 1.00 41.12 O ATOM 1099 CB GLU A 69 -5.420 10.690 5.907 1.00 31.52 C ATOM 1100 CG GLU A 69 -3.979 11.087 6.213 1.00 71.33 C ATOM 1101 CD GLU A 69 -3.802 12.591 6.354 1.00 53.13 C ATOM 1102 OE1 GLU A 69 -4.078 13.133 7.446 1.00 73.22 O ATOM 1103 OE2 GLU A 69 -3.385 13.242 5.369 1.00 60.23 O ATOM 0 H GLU A 69 -5.080 9.607 3.551 1.00 63.13 H new ATOM 0 HA GLU A 69 -5.169 8.579 6.335 1.00 51.13 H new ATOM 0 HB2 GLU A 69 -5.787 11.298 5.080 1.00 31.52 H new ATOM 0 HB3 GLU A 69 -6.042 10.919 6.772 1.00 31.52 H new ATOM 0 HG2 GLU A 69 -3.660 10.600 7.134 1.00 71.33 H new ATOM 0 HG3 GLU A 69 -3.329 10.722 5.418 1.00 71.33 H new ATOM 1110 N PHE A 70 -7.411 7.939 4.528 1.00 22.13 N ATOM 1111 CA PHE A 70 -8.808 7.552 4.281 1.00 33.52 C ATOM 1112 C PHE A 70 -9.467 6.936 5.528 1.00 51.02 C ATOM 1113 O PHE A 70 -8.794 6.365 6.391 1.00 75.21 O ATOM 1114 CB PHE A 70 -8.890 6.572 3.103 1.00 3.10 C ATOM 1115 CG PHE A 70 -8.394 7.149 1.797 1.00 44.45 C ATOM 1116 CD1 PHE A 70 -8.730 8.444 1.425 1.00 71.22 C ATOM 1117 CD2 PHE A 70 -7.592 6.402 0.945 1.00 63.10 C ATOM 1118 CE1 PHE A 70 -8.280 8.978 0.232 1.00 32.21 C ATOM 1119 CE2 PHE A 70 -7.141 6.933 -0.249 1.00 72.43 C ATOM 1120 CZ PHE A 70 -7.484 8.222 -0.606 1.00 41.14 C ATOM 0 H PHE A 70 -6.731 7.443 3.952 1.00 22.13 H new ATOM 0 HA PHE A 70 -9.357 8.461 4.034 1.00 33.52 H new ATOM 0 HB2 PHE A 70 -8.308 5.682 3.341 1.00 3.10 H new ATOM 0 HB3 PHE A 70 -9.925 6.252 2.979 1.00 3.10 H new ATOM 0 HD1 PHE A 70 -9.351 9.042 2.076 1.00 71.22 H new ATOM 0 HD2 PHE A 70 -7.317 5.394 1.218 1.00 63.10 H new ATOM 0 HE1 PHE A 70 -8.551 9.986 -0.045 1.00 32.21 H new ATOM 0 HE2 PHE A 70 -6.520 6.339 -0.903 1.00 72.43 H new ATOM 0 HZ PHE A 70 -7.131 8.638 -1.538 1.00 41.14 H new ATOM 1130 N ASP A 71 -10.787 7.059 5.607 1.00 12.21 N ATOM 1131 CA ASP A 71 -11.544 6.602 6.774 1.00 13.30 C ATOM 1132 C ASP A 71 -11.810 5.082 6.740 1.00 11.33 C ATOM 1133 O ASP A 71 -11.661 4.429 5.703 1.00 3.45 O ATOM 1134 CB ASP A 71 -12.864 7.382 6.854 1.00 23.20 C ATOM 1135 CG ASP A 71 -13.671 7.038 8.090 1.00 12.21 C ATOM 1136 OD1 ASP A 71 -13.141 7.196 9.209 1.00 33.12 O ATOM 1137 OD2 ASP A 71 -14.829 6.597 7.955 1.00 20.11 O ATOM 0 H ASP A 71 -11.361 7.474 4.873 1.00 12.21 H new ATOM 0 HA ASP A 71 -10.946 6.793 7.665 1.00 13.30 H new ATOM 0 HB2 ASP A 71 -12.651 8.451 6.850 1.00 23.20 H new ATOM 0 HB3 ASP A 71 -13.460 7.172 5.966 1.00 23.20 H new ATOM 1142 N TYR A 72 -12.205 4.530 7.889 1.00 33.23 N ATOM 1143 CA TYR A 72 -12.495 3.098 8.016 1.00 23.31 C ATOM 1144 C TYR A 72 -13.615 2.658 7.053 1.00 1.14 C ATOM 1145 O TYR A 72 -14.754 3.133 7.139 1.00 42.43 O ATOM 1146 CB TYR A 72 -12.874 2.775 9.467 1.00 4.54 C ATOM 1147 CG TYR A 72 -13.126 1.301 9.738 1.00 54.53 C ATOM 1148 CD1 TYR A 72 -12.074 0.393 9.777 1.00 71.45 C ATOM 1149 CD2 TYR A 72 -14.415 0.821 9.959 1.00 11.04 C ATOM 1150 CE1 TYR A 72 -12.298 -0.948 10.026 1.00 2.31 C ATOM 1151 CE2 TYR A 72 -14.645 -0.517 10.207 1.00 1.45 C ATOM 1152 CZ TYR A 72 -13.585 -1.398 10.241 1.00 55.40 C ATOM 1153 OH TYR A 72 -13.813 -2.736 10.485 1.00 21.32 O ATOM 0 H TYR A 72 -12.333 5.057 8.753 1.00 33.23 H new ATOM 0 HA TYR A 72 -11.597 2.542 7.745 1.00 23.31 H new ATOM 0 HB2 TYR A 72 -12.076 3.121 10.124 1.00 4.54 H new ATOM 0 HB3 TYR A 72 -13.769 3.338 9.730 1.00 4.54 H new ATOM 0 HD1 TYR A 72 -11.065 0.741 9.610 1.00 71.45 H new ATOM 0 HD2 TYR A 72 -15.248 1.508 9.936 1.00 11.04 H new ATOM 0 HE1 TYR A 72 -11.470 -1.641 10.052 1.00 2.31 H new ATOM 0 HE2 TYR A 72 -15.651 -0.872 10.374 1.00 1.45 H new ATOM 0 HH TYR A 72 -14.773 -2.886 10.616 1.00 21.32 H new ATOM 1163 N ASN A 73 -13.267 1.749 6.139 1.00 0.43 N ATOM 1164 CA ASN A 73 -14.191 1.228 5.115 1.00 34.34 C ATOM 1165 C ASN A 73 -14.573 2.300 4.075 1.00 72.32 C ATOM 1166 O ASN A 73 -15.611 2.194 3.417 1.00 73.42 O ATOM 1167 CB ASN A 73 -15.453 0.627 5.754 1.00 72.05 C ATOM 1168 CG ASN A 73 -15.186 -0.673 6.497 1.00 1.44 C ATOM 1169 OD1 ASN A 73 -13.996 -0.830 7.044 1.00 60.43 O flip ATOM 1170 ND2 ASN A 73 -16.051 -1.539 6.582 1.00 61.13 N flip ATOM 0 H ASN A 73 -12.331 1.348 6.084 1.00 0.43 H new ATOM 0 HA ASN A 73 -13.658 0.435 4.590 1.00 34.34 H new ATOM 0 HB2 ASN A 73 -15.883 1.352 6.445 1.00 72.05 H new ATOM 0 HB3 ASN A 73 -16.196 0.448 4.977 1.00 72.05 H new ATOM 0 HD21 ASN A 73 -16.963 -1.393 6.150 1.00 61.13 H new ATOM 0 HD22 ASN A 73 -15.858 -2.405 7.085 1.00 61.13 H new ATOM 1177 N ALA A 74 -13.717 3.309 3.907 1.00 73.53 N ATOM 1178 CA ALA A 74 -13.933 4.344 2.888 1.00 22.32 C ATOM 1179 C ALA A 74 -13.793 3.769 1.470 1.00 62.22 C ATOM 1180 O ALA A 74 -12.849 3.031 1.179 1.00 72.42 O ATOM 1181 CB ALA A 74 -12.955 5.497 3.088 1.00 65.00 C ATOM 0 H ALA A 74 -12.869 3.434 4.460 1.00 73.53 H new ATOM 0 HA ALA A 74 -14.951 4.718 3.001 1.00 22.32 H new ATOM 0 HB1 ALA A 74 -13.127 6.257 2.325 1.00 65.00 H new ATOM 0 HB2 ALA A 74 -13.105 5.934 4.075 1.00 65.00 H new ATOM 0 HB3 ALA A 74 -11.933 5.126 3.006 1.00 65.00 H new ATOM 1187 N ARG A 75 -14.735 4.108 0.596 1.00 61.43 N ATOM 1188 CA ARG A 75 -14.738 3.598 -0.780 1.00 11.01 C ATOM 1189 C ARG A 75 -13.663 4.282 -1.642 1.00 22.33 C ATOM 1190 O ARG A 75 -13.733 5.485 -1.914 1.00 3.40 O ATOM 1191 CB ARG A 75 -16.127 3.786 -1.398 1.00 21.13 C ATOM 1192 CG ARG A 75 -17.207 2.941 -0.725 1.00 14.45 C ATOM 1193 CD ARG A 75 -18.598 3.287 -1.241 1.00 4.53 C ATOM 1194 NE ARG A 75 -18.972 4.658 -0.903 1.00 73.33 N ATOM 1195 CZ ARG A 75 -19.792 5.389 -1.599 1.00 43.31 C ATOM 1196 NH1 ARG A 75 -20.387 4.904 -2.641 1.00 65.23 N ATOM 1197 NH2 ARG A 75 -20.032 6.606 -1.240 1.00 53.13 N ATOM 0 H ARG A 75 -15.510 4.735 0.812 1.00 61.43 H new ATOM 0 HA ARG A 75 -14.499 2.535 -0.750 1.00 11.01 H new ATOM 0 HB2 ARG A 75 -16.406 4.838 -1.334 1.00 21.13 H new ATOM 0 HB3 ARG A 75 -16.083 3.531 -2.457 1.00 21.13 H new ATOM 0 HG2 ARG A 75 -17.006 1.885 -0.903 1.00 14.45 H new ATOM 0 HG3 ARG A 75 -17.170 3.096 0.353 1.00 14.45 H new ATOM 0 HD2 ARG A 75 -18.628 3.157 -2.323 1.00 4.53 H new ATOM 0 HD3 ARG A 75 -19.326 2.596 -0.817 1.00 4.53 H new ATOM 0 HE ARG A 75 -18.562 5.070 -0.065 1.00 73.33 H new ATOM 0 HH11 ARG A 75 -20.215 3.939 -2.924 1.00 65.23 H new ATOM 0 HH12 ARG A 75 -21.028 5.487 -3.179 1.00 65.23 H new ATOM 0 HH21 ARG A 75 -19.579 6.992 -0.412 1.00 53.13 H new ATOM 0 HH22 ARG A 75 -20.675 7.181 -1.785 1.00 53.13 H new ATOM 1211 N VAL A 76 -12.663 3.506 -2.061 1.00 11.31 N ATOM 1212 CA VAL A 76 -11.538 4.024 -2.840 1.00 71.24 C ATOM 1213 C VAL A 76 -11.334 3.240 -4.151 1.00 52.23 C ATOM 1214 O VAL A 76 -11.707 2.068 -4.262 1.00 52.42 O ATOM 1215 CB VAL A 76 -10.224 3.971 -2.014 1.00 25.32 C ATOM 1216 CG1 VAL A 76 -10.331 4.843 -0.764 1.00 70.32 C ATOM 1217 CG2 VAL A 76 -9.874 2.530 -1.638 1.00 73.31 C ATOM 0 H VAL A 76 -12.610 2.505 -1.871 1.00 11.31 H new ATOM 0 HA VAL A 76 -11.780 5.058 -3.086 1.00 71.24 H new ATOM 0 HB VAL A 76 -9.420 4.365 -2.636 1.00 25.32 H new ATOM 0 HG11 VAL A 76 -9.399 4.789 -0.202 1.00 70.32 H new ATOM 0 HG12 VAL A 76 -10.520 5.876 -1.056 1.00 70.32 H new ATOM 0 HG13 VAL A 76 -11.151 4.487 -0.141 1.00 70.32 H new ATOM 0 HG21 VAL A 76 -8.950 2.519 -1.060 1.00 73.31 H new ATOM 0 HG22 VAL A 76 -10.680 2.104 -1.041 1.00 73.31 H new ATOM 0 HG23 VAL A 76 -9.742 1.939 -2.544 1.00 73.31 H new ATOM 1227 N GLU A 77 -10.747 3.902 -5.144 1.00 72.13 N ATOM 1228 CA GLU A 77 -10.366 3.261 -6.404 1.00 71.04 C ATOM 1229 C GLU A 77 -8.889 3.552 -6.725 1.00 63.33 C ATOM 1230 O GLU A 77 -8.330 4.555 -6.275 1.00 70.04 O ATOM 1231 CB GLU A 77 -11.282 3.725 -7.547 1.00 12.23 C ATOM 1232 CG GLU A 77 -11.258 5.227 -7.802 1.00 10.20 C ATOM 1233 CD GLU A 77 -12.119 5.623 -8.993 1.00 4.42 C ATOM 1234 OE1 GLU A 77 -13.347 5.786 -8.823 1.00 0.42 O ATOM 1235 OE2 GLU A 77 -11.568 5.763 -10.106 1.00 72.02 O ATOM 0 H GLU A 77 -10.521 4.896 -5.101 1.00 72.13 H new ATOM 0 HA GLU A 77 -10.486 2.183 -6.297 1.00 71.04 H new ATOM 0 HB2 GLU A 77 -10.991 3.209 -8.462 1.00 12.23 H new ATOM 0 HB3 GLU A 77 -12.305 3.423 -7.322 1.00 12.23 H new ATOM 0 HG2 GLU A 77 -11.609 5.750 -6.913 1.00 10.20 H new ATOM 0 HG3 GLU A 77 -10.231 5.548 -7.976 1.00 10.20 H new ATOM 1242 N LEU A 78 -8.257 2.676 -7.497 1.00 1.44 N ATOM 1243 CA LEU A 78 -6.814 2.768 -7.737 1.00 64.44 C ATOM 1244 C LEU A 78 -6.464 3.493 -9.045 1.00 41.34 C ATOM 1245 O LEU A 78 -7.190 3.413 -10.039 1.00 42.33 O ATOM 1246 CB LEU A 78 -6.192 1.367 -7.741 1.00 14.02 C ATOM 1247 CG LEU A 78 -6.257 0.622 -6.395 1.00 3.22 C ATOM 1248 CD1 LEU A 78 -5.646 -0.771 -6.515 1.00 71.40 C ATOM 1249 CD2 LEU A 78 -5.560 1.430 -5.298 1.00 71.41 C ATOM 0 H LEU A 78 -8.715 1.895 -7.968 1.00 1.44 H new ATOM 0 HA LEU A 78 -6.400 3.363 -6.923 1.00 64.44 H new ATOM 0 HB2 LEU A 78 -6.695 0.765 -8.497 1.00 14.02 H new ATOM 0 HB3 LEU A 78 -5.148 1.450 -8.043 1.00 14.02 H new ATOM 0 HG LEU A 78 -7.305 0.507 -6.120 1.00 3.22 H new ATOM 0 HD11 LEU A 78 -5.703 -1.278 -5.552 1.00 71.40 H new ATOM 0 HD12 LEU A 78 -6.195 -1.346 -7.261 1.00 71.40 H new ATOM 0 HD13 LEU A 78 -4.603 -0.686 -6.818 1.00 71.40 H new ATOM 0 HD21 LEU A 78 -5.617 0.887 -4.355 1.00 71.41 H new ATOM 0 HD22 LEU A 78 -4.515 1.582 -5.567 1.00 71.41 H new ATOM 0 HD23 LEU A 78 -6.052 2.397 -5.190 1.00 71.41 H new ATOM 1261 N ILE A 79 -5.341 4.202 -9.019 1.00 33.13 N ATOM 1262 CA ILE A 79 -4.779 4.838 -10.210 1.00 21.23 C ATOM 1263 C ILE A 79 -3.676 3.952 -10.809 1.00 3.04 C ATOM 1264 O ILE A 79 -2.631 3.754 -10.188 1.00 4.13 O ATOM 1265 CB ILE A 79 -4.183 6.234 -9.876 1.00 43.02 C ATOM 1266 CG1 ILE A 79 -5.250 7.148 -9.248 1.00 10.31 C ATOM 1267 CG2 ILE A 79 -3.585 6.882 -11.126 1.00 53.30 C ATOM 1268 CD1 ILE A 79 -6.433 7.424 -10.153 1.00 62.40 C ATOM 0 H ILE A 79 -4.793 4.353 -8.172 1.00 33.13 H new ATOM 0 HA ILE A 79 -5.587 4.966 -10.930 1.00 21.23 H new ATOM 0 HB ILE A 79 -3.383 6.095 -9.149 1.00 43.02 H new ATOM 0 HG12 ILE A 79 -5.609 6.690 -8.326 1.00 10.31 H new ATOM 0 HG13 ILE A 79 -4.786 8.096 -8.974 1.00 10.31 H new ATOM 0 HG21 ILE A 79 -3.174 7.858 -10.869 1.00 53.30 H new ATOM 0 HG22 ILE A 79 -2.792 6.247 -11.521 1.00 53.30 H new ATOM 0 HG23 ILE A 79 -4.362 7.003 -11.880 1.00 53.30 H new ATOM 0 HD11 ILE A 79 -7.140 8.075 -9.639 1.00 62.40 H new ATOM 0 HD12 ILE A 79 -6.088 7.912 -11.065 1.00 62.40 H new ATOM 0 HD13 ILE A 79 -6.923 6.484 -10.407 1.00 62.40 H new ATOM 1280 N ASN A 80 -3.928 3.403 -12.000 1.00 23.23 N ATOM 1281 CA ASN A 80 -2.957 2.541 -12.700 1.00 3.12 C ATOM 1282 C ASN A 80 -2.570 1.301 -11.859 1.00 62.14 C ATOM 1283 O ASN A 80 -1.406 1.138 -11.480 1.00 62.13 O ATOM 1284 CB ASN A 80 -1.702 3.350 -13.067 1.00 23.54 C ATOM 1285 CG ASN A 80 -2.034 4.603 -13.858 1.00 4.13 C ATOM 1286 OD1 ASN A 80 -2.984 4.634 -14.631 1.00 51.53 O ATOM 1287 ND2 ASN A 80 -1.259 5.651 -13.665 1.00 42.42 N ATOM 0 H ASN A 80 -4.802 3.539 -12.508 1.00 23.23 H new ATOM 0 HA ASN A 80 -3.434 2.180 -13.611 1.00 3.12 H new ATOM 0 HB2 ASN A 80 -1.173 3.628 -12.156 1.00 23.54 H new ATOM 0 HB3 ASN A 80 -1.026 2.724 -13.650 1.00 23.54 H new ATOM 0 HD21 ASN A 80 -1.442 6.520 -14.166 1.00 42.42 H new ATOM 0 HD22 ASN A 80 -0.476 5.593 -13.014 1.00 42.42 H new ATOM 1294 N PRO A 81 -3.542 0.421 -11.536 1.00 55.43 N ATOM 1295 CA PRO A 81 -3.286 -0.798 -10.752 1.00 54.43 C ATOM 1296 C PRO A 81 -2.732 -1.970 -11.587 1.00 43.41 C ATOM 1297 O PRO A 81 -3.163 -2.201 -12.718 1.00 75.10 O ATOM 1298 CB PRO A 81 -4.677 -1.133 -10.206 1.00 44.21 C ATOM 1299 CG PRO A 81 -5.614 -0.674 -11.273 1.00 74.44 C ATOM 1300 CD PRO A 81 -4.971 0.540 -11.908 1.00 41.42 C ATOM 0 HA PRO A 81 -2.521 -0.639 -9.992 1.00 54.43 H new ATOM 0 HB2 PRO A 81 -4.783 -2.201 -10.016 1.00 44.21 H new ATOM 0 HB3 PRO A 81 -4.868 -0.621 -9.263 1.00 44.21 H new ATOM 0 HG2 PRO A 81 -5.777 -1.459 -12.012 1.00 74.44 H new ATOM 0 HG3 PRO A 81 -6.588 -0.424 -10.854 1.00 74.44 H new ATOM 0 HD2 PRO A 81 -5.103 0.542 -12.990 1.00 41.42 H new ATOM 0 HD3 PRO A 81 -5.406 1.466 -11.531 1.00 41.42 H new ATOM 1308 N ILE A 82 -1.779 -2.713 -11.019 1.00 32.11 N ATOM 1309 CA ILE A 82 -1.249 -3.934 -11.649 1.00 13.24 C ATOM 1310 C ILE A 82 -1.053 -5.056 -10.608 1.00 55.55 C ATOM 1311 O ILE A 82 -0.746 -4.793 -9.441 1.00 32.14 O ATOM 1312 CB ILE A 82 0.103 -3.681 -12.379 1.00 41.44 C ATOM 1313 CG1 ILE A 82 1.161 -3.145 -11.397 1.00 22.42 C ATOM 1314 CG2 ILE A 82 -0.084 -2.720 -13.556 1.00 43.55 C ATOM 1315 CD1 ILE A 82 2.527 -2.920 -12.017 1.00 22.11 C ATOM 0 H ILE A 82 -1.354 -2.492 -10.119 1.00 32.11 H new ATOM 0 HA ILE A 82 -1.989 -4.242 -12.387 1.00 13.24 H new ATOM 0 HB ILE A 82 0.458 -4.633 -12.774 1.00 41.44 H new ATOM 0 HG12 ILE A 82 0.806 -2.204 -10.976 1.00 22.42 H new ATOM 0 HG13 ILE A 82 1.261 -3.847 -10.569 1.00 22.42 H new ATOM 0 HG21 ILE A 82 0.874 -2.559 -14.050 1.00 43.55 H new ATOM 0 HG22 ILE A 82 -0.791 -3.148 -14.267 1.00 43.55 H new ATOM 0 HG23 ILE A 82 -0.468 -1.768 -13.191 1.00 43.55 H new ATOM 0 HD11 ILE A 82 3.213 -2.542 -11.259 1.00 22.11 H new ATOM 0 HD12 ILE A 82 2.907 -3.862 -12.413 1.00 22.11 H new ATOM 0 HD13 ILE A 82 2.444 -2.194 -12.826 1.00 22.11 H new ATOM 1327 N ALA A 83 -1.241 -6.305 -11.032 1.00 72.03 N ATOM 1328 CA ALA A 83 -1.002 -7.462 -10.158 1.00 34.44 C ATOM 1329 C ALA A 83 0.487 -7.841 -10.154 1.00 62.20 C ATOM 1330 O ALA A 83 1.010 -8.364 -11.140 1.00 3.54 O ATOM 1331 CB ALA A 83 -1.857 -8.647 -10.601 1.00 20.31 C ATOM 0 H ALA A 83 -1.557 -6.545 -11.972 1.00 72.03 H new ATOM 0 HA ALA A 83 -1.286 -7.191 -9.141 1.00 34.44 H new ATOM 0 HB1 ALA A 83 -1.669 -9.497 -9.944 1.00 20.31 H new ATOM 0 HB2 ALA A 83 -2.911 -8.374 -10.550 1.00 20.31 H new ATOM 0 HB3 ALA A 83 -1.602 -8.917 -11.626 1.00 20.31 H new ATOM 1337 N ASP A 84 1.171 -7.570 -9.043 1.00 13.10 N ATOM 1338 CA ASP A 84 2.620 -7.784 -8.963 1.00 24.51 C ATOM 1339 C ASP A 84 2.960 -9.262 -8.692 1.00 61.25 C ATOM 1340 O ASP A 84 2.925 -9.727 -7.550 1.00 11.25 O ATOM 1341 CB ASP A 84 3.222 -6.884 -7.880 1.00 14.20 C ATOM 1342 CG ASP A 84 4.736 -6.793 -7.971 1.00 2.22 C ATOM 1343 OD1 ASP A 84 5.237 -6.017 -8.812 1.00 34.43 O ATOM 1344 OD2 ASP A 84 5.429 -7.487 -7.207 1.00 22.31 O ATOM 0 H ASP A 84 0.750 -7.204 -8.189 1.00 13.10 H new ATOM 0 HA ASP A 84 3.055 -7.521 -9.927 1.00 24.51 H new ATOM 0 HB2 ASP A 84 2.796 -5.884 -7.965 1.00 14.20 H new ATOM 0 HB3 ASP A 84 2.943 -7.267 -6.898 1.00 14.20 H new ATOM 1522 N TRP A 98 -2.079 -11.966 -2.166 1.00 24.21 N ATOM 1523 CA TRP A 98 -1.475 -11.248 -3.291 1.00 51.44 C ATOM 1524 C TRP A 98 -1.474 -9.713 -3.139 1.00 23.42 C ATOM 1525 O TRP A 98 -2.379 -9.104 -2.541 1.00 42.42 O ATOM 1526 CB TRP A 98 -2.161 -11.660 -4.606 1.00 45.22 C ATOM 1527 CG TRP A 98 -3.646 -11.386 -4.668 1.00 72.11 C ATOM 1528 CD1 TRP A 98 -4.583 -11.611 -3.693 1.00 43.11 C ATOM 1529 CD2 TRP A 98 -4.365 -10.867 -5.793 1.00 43.12 C ATOM 1530 NE1 TRP A 98 -5.827 -11.250 -4.141 1.00 23.34 N ATOM 1531 CE2 TRP A 98 -5.723 -10.792 -5.426 1.00 74.13 C ATOM 1532 CE3 TRP A 98 -3.988 -10.449 -7.074 1.00 50.43 C ATOM 1533 CZ2 TRP A 98 -6.702 -10.320 -6.298 1.00 62.10 C ATOM 1534 CZ3 TRP A 98 -4.961 -9.982 -7.936 1.00 1.05 C ATOM 1535 CH2 TRP A 98 -6.305 -9.924 -7.546 1.00 43.51 C ATOM 0 HA TRP A 98 -0.425 -11.539 -3.306 1.00 51.44 H new ATOM 0 HB2 TRP A 98 -1.676 -11.137 -5.430 1.00 45.22 H new ATOM 0 HB3 TRP A 98 -1.997 -12.726 -4.765 1.00 45.22 H new ATOM 0 HD1 TRP A 98 -4.372 -12.014 -2.714 1.00 43.11 H new ATOM 0 HE1 TRP A 98 -6.691 -11.313 -3.603 1.00 23.34 H new ATOM 0 HE3 TRP A 98 -2.954 -10.491 -7.383 1.00 50.43 H new ATOM 0 HZ2 TRP A 98 -7.739 -10.269 -5.999 1.00 62.10 H new ATOM 0 HZ3 TRP A 98 -4.681 -9.656 -8.927 1.00 1.05 H new ATOM 0 HH2 TRP A 98 -7.043 -9.559 -8.245 1.00 43.51 H new ATOM 1546 N TYR A 99 -0.436 -9.102 -3.716 1.00 42.54 N ATOM 1547 CA TYR A 99 -0.233 -7.654 -3.671 1.00 14.11 C ATOM 1548 C TYR A 99 -0.586 -6.986 -5.009 1.00 61.55 C ATOM 1549 O TYR A 99 -0.001 -7.298 -6.051 1.00 23.24 O ATOM 1550 CB TYR A 99 1.229 -7.339 -3.315 1.00 75.13 C ATOM 1551 CG TYR A 99 1.612 -7.703 -1.894 1.00 71.22 C ATOM 1552 CD1 TYR A 99 1.899 -9.019 -1.536 1.00 64.14 C ATOM 1553 CD2 TYR A 99 1.686 -6.726 -0.908 1.00 1.24 C ATOM 1554 CE1 TYR A 99 2.243 -9.345 -0.238 1.00 35.34 C ATOM 1555 CE2 TYR A 99 2.033 -7.048 0.389 1.00 10.41 C ATOM 1556 CZ TYR A 99 2.310 -8.355 0.719 1.00 44.21 C ATOM 1557 OH TYR A 99 2.639 -8.668 2.019 1.00 42.43 O ATOM 0 H TYR A 99 0.290 -9.601 -4.230 1.00 42.54 H new ATOM 0 HA TYR A 99 -0.898 -7.254 -2.906 1.00 14.11 H new ATOM 0 HB2 TYR A 99 1.883 -7.873 -4.004 1.00 75.13 H new ATOM 0 HB3 TYR A 99 1.407 -6.274 -3.467 1.00 75.13 H new ATOM 0 HD1 TYR A 99 1.852 -9.796 -2.285 1.00 64.14 H new ATOM 0 HD2 TYR A 99 1.469 -5.699 -1.160 1.00 1.24 H new ATOM 0 HE1 TYR A 99 2.458 -10.370 0.025 1.00 35.34 H new ATOM 0 HE2 TYR A 99 2.087 -6.276 1.143 1.00 10.41 H new ATOM 0 HH TYR A 99 1.880 -8.469 2.606 1.00 42.43 H new ATOM 1567 N ILE A 100 -1.540 -6.061 -4.970 1.00 74.31 N ATOM 1568 CA ILE A 100 -1.903 -5.269 -6.149 1.00 73.00 C ATOM 1569 C ILE A 100 -1.233 -3.888 -6.080 1.00 73.50 C ATOM 1570 O ILE A 100 -1.619 -3.039 -5.283 1.00 31.53 O ATOM 1571 CB ILE A 100 -3.441 -5.089 -6.269 1.00 42.43 C ATOM 1572 CG1 ILE A 100 -4.138 -6.460 -6.308 1.00 25.41 C ATOM 1573 CG2 ILE A 100 -3.794 -4.265 -7.511 1.00 51.00 C ATOM 1574 CD1 ILE A 100 -5.646 -6.377 -6.424 1.00 65.41 C ATOM 0 H ILE A 100 -2.079 -5.838 -4.134 1.00 74.31 H new ATOM 0 HA ILE A 100 -1.554 -5.810 -7.029 1.00 73.00 H new ATOM 0 HB ILE A 100 -3.795 -4.547 -5.392 1.00 42.43 H new ATOM 0 HG12 ILE A 100 -3.749 -7.031 -7.151 1.00 25.41 H new ATOM 0 HG13 ILE A 100 -3.882 -7.013 -5.404 1.00 25.41 H new ATOM 0 HG21 ILE A 100 -4.876 -4.151 -7.576 1.00 51.00 H new ATOM 0 HG22 ILE A 100 -3.329 -3.282 -7.440 1.00 51.00 H new ATOM 0 HG23 ILE A 100 -3.429 -4.775 -8.402 1.00 51.00 H new ATOM 0 HD11 ILE A 100 -6.065 -7.383 -6.446 1.00 65.41 H new ATOM 0 HD12 ILE A 100 -6.047 -5.835 -5.568 1.00 65.41 H new ATOM 0 HD13 ILE A 100 -5.912 -5.853 -7.342 1.00 65.41 H new ATOM 1586 N LYS A 101 -0.221 -3.668 -6.907 1.00 45.13 N ATOM 1587 CA LYS A 101 0.551 -2.423 -6.858 1.00 42.14 C ATOM 1588 C LYS A 101 0.019 -1.379 -7.849 1.00 34.14 C ATOM 1589 O LYS A 101 -0.171 -1.662 -9.029 1.00 13.50 O ATOM 1590 CB LYS A 101 2.035 -2.721 -7.109 1.00 42.42 C ATOM 1591 CG LYS A 101 2.677 -3.521 -5.979 1.00 61.12 C ATOM 1592 CD LYS A 101 4.125 -3.894 -6.276 1.00 45.33 C ATOM 1593 CE LYS A 101 4.995 -2.676 -6.553 1.00 4.15 C ATOM 1594 NZ LYS A 101 6.432 -3.043 -6.674 1.00 73.33 N ATOM 0 H LYS A 101 0.088 -4.329 -7.619 1.00 45.13 H new ATOM 0 HA LYS A 101 0.440 -1.994 -5.862 1.00 42.14 H new ATOM 0 HB2 LYS A 101 2.137 -3.274 -8.043 1.00 42.42 H new ATOM 0 HB3 LYS A 101 2.573 -1.782 -7.234 1.00 42.42 H new ATOM 0 HG2 LYS A 101 2.637 -2.939 -5.058 1.00 61.12 H new ATOM 0 HG3 LYS A 101 2.099 -4.429 -5.808 1.00 61.12 H new ATOM 0 HD2 LYS A 101 4.536 -4.445 -5.430 1.00 45.33 H new ATOM 0 HD3 LYS A 101 4.156 -4.562 -7.137 1.00 45.33 H new ATOM 0 HE2 LYS A 101 4.664 -2.194 -7.473 1.00 4.15 H new ATOM 0 HE3 LYS A 101 4.871 -1.950 -5.750 1.00 4.15 H new ATOM 0 HZ1 LYS A 101 6.970 -2.226 -7.027 1.00 73.33 H new ATOM 0 HZ2 LYS A 101 6.799 -3.322 -5.742 1.00 73.33 H new ATOM 0 HZ3 LYS A 101 6.533 -3.837 -7.338 1.00 73.33 H new ATOM 1608 N ALA A 102 -0.222 -0.169 -7.356 1.00 4.14 N ATOM 1609 CA ALA A 102 -0.776 0.912 -8.177 1.00 71.42 C ATOM 1610 C ALA A 102 0.120 2.157 -8.145 1.00 34.33 C ATOM 1611 O ALA A 102 1.121 2.201 -7.425 1.00 41.41 O ATOM 1612 CB ALA A 102 -2.186 1.256 -7.705 1.00 61.33 C ATOM 0 H ALA A 102 -0.043 0.093 -6.387 1.00 4.14 H new ATOM 0 HA ALA A 102 -0.820 0.565 -9.209 1.00 71.42 H new ATOM 0 HB1 ALA A 102 -2.590 2.060 -8.320 1.00 61.33 H new ATOM 0 HB2 ALA A 102 -2.824 0.376 -7.793 1.00 61.33 H new ATOM 0 HB3 ALA A 102 -2.153 1.578 -6.664 1.00 61.33 H new ATOM 1618 N ASP A 103 -0.233 3.158 -8.942 1.00 52.41 N ATOM 1619 CA ASP A 103 0.503 4.423 -8.966 1.00 31.14 C ATOM 1620 C ASP A 103 0.049 5.341 -7.817 1.00 14.53 C ATOM 1621 O ASP A 103 0.859 6.055 -7.216 1.00 43.52 O ATOM 1622 CB ASP A 103 0.298 5.113 -10.320 1.00 50.31 C ATOM 1623 CG ASP A 103 1.226 6.296 -10.513 1.00 2.13 C ATOM 1624 OD1 ASP A 103 2.451 6.130 -10.335 1.00 13.22 O ATOM 1625 OD2 ASP A 103 0.744 7.397 -10.834 1.00 71.20 O ATOM 0 H ASP A 103 -1.026 3.121 -9.583 1.00 52.41 H new ATOM 0 HA ASP A 103 1.564 4.215 -8.829 1.00 31.14 H new ATOM 0 HB2 ASP A 103 0.462 4.392 -11.121 1.00 50.31 H new ATOM 0 HB3 ASP A 103 -0.736 5.449 -10.401 1.00 50.31 H new ATOM 1630 N ASP A 104 -1.254 5.313 -7.515 1.00 30.21 N ATOM 1631 CA ASP A 104 -1.822 6.101 -6.411 1.00 23.21 C ATOM 1632 C ASP A 104 -3.199 5.554 -5.975 1.00 52.33 C ATOM 1633 O ASP A 104 -3.819 4.761 -6.685 1.00 45.30 O ATOM 1634 CB ASP A 104 -1.940 7.580 -6.821 1.00 44.32 C ATOM 1635 CG ASP A 104 -2.296 8.490 -5.656 1.00 34.34 C ATOM 1636 OD1 ASP A 104 -1.844 8.216 -4.525 1.00 52.02 O ATOM 1637 OD2 ASP A 104 -3.019 9.486 -5.866 1.00 73.32 O ATOM 0 H ASP A 104 -1.939 4.751 -8.021 1.00 30.21 H new ATOM 0 HA ASP A 104 -1.147 6.019 -5.559 1.00 23.21 H new ATOM 0 HB2 ASP A 104 -0.996 7.908 -7.256 1.00 44.32 H new ATOM 0 HB3 ASP A 104 -2.699 7.677 -7.597 1.00 44.32 H new ATOM 1642 N ILE A 105 -3.664 5.981 -4.800 1.00 63.41 N ATOM 1643 CA ILE A 105 -4.954 5.535 -4.255 1.00 0.13 C ATOM 1644 C ILE A 105 -5.877 6.736 -3.982 1.00 31.51 C ATOM 1645 O ILE A 105 -5.556 7.601 -3.166 1.00 55.42 O ATOM 1646 CB ILE A 105 -4.766 4.736 -2.935 1.00 34.24 C ATOM 1647 CG1 ILE A 105 -3.749 3.600 -3.129 1.00 73.35 C ATOM 1648 CG2 ILE A 105 -6.105 4.182 -2.444 1.00 20.05 C ATOM 1649 CD1 ILE A 105 -3.493 2.783 -1.878 1.00 25.42 C ATOM 0 H ILE A 105 -3.165 6.639 -4.202 1.00 63.41 H new ATOM 0 HA ILE A 105 -5.409 4.885 -5.003 1.00 0.13 H new ATOM 0 HB ILE A 105 -4.378 5.416 -2.177 1.00 34.24 H new ATOM 0 HG12 ILE A 105 -4.106 2.937 -3.917 1.00 73.35 H new ATOM 0 HG13 ILE A 105 -2.806 4.025 -3.473 1.00 73.35 H new ATOM 0 HG21 ILE A 105 -5.952 3.626 -1.519 1.00 20.05 H new ATOM 0 HG22 ILE A 105 -6.795 5.006 -2.262 1.00 20.05 H new ATOM 0 HG23 ILE A 105 -6.524 3.519 -3.201 1.00 20.05 H new ATOM 0 HD11 ILE A 105 -2.765 2.002 -2.096 1.00 25.42 H new ATOM 0 HD12 ILE A 105 -3.105 3.432 -1.093 1.00 25.42 H new ATOM 0 HD13 ILE A 105 -4.425 2.327 -1.544 1.00 25.42 H new ATOM 1661 N VAL A 106 -7.024 6.780 -4.659 1.00 33.44 N ATOM 1662 CA VAL A 106 -7.968 7.900 -4.520 1.00 73.13 C ATOM 1663 C VAL A 106 -9.369 7.414 -4.116 1.00 14.24 C ATOM 1664 O VAL A 106 -9.660 6.220 -4.166 1.00 25.30 O ATOM 1665 CB VAL A 106 -8.075 8.704 -5.842 1.00 74.11 C ATOM 1666 CG1 VAL A 106 -6.732 9.323 -6.213 1.00 24.42 C ATOM 1667 CG2 VAL A 106 -8.594 7.821 -6.976 1.00 32.23 C ATOM 0 H VAL A 106 -7.326 6.056 -5.310 1.00 33.44 H new ATOM 0 HA VAL A 106 -7.578 8.544 -3.732 1.00 73.13 H new ATOM 0 HB VAL A 106 -8.790 9.512 -5.686 1.00 74.11 H new ATOM 0 HG11 VAL A 106 -6.833 9.881 -7.144 1.00 24.42 H new ATOM 0 HG12 VAL A 106 -6.410 9.997 -5.419 1.00 24.42 H new ATOM 0 HG13 VAL A 106 -5.991 8.534 -6.342 1.00 24.42 H new ATOM 0 HG21 VAL A 106 -8.660 8.407 -7.892 1.00 32.23 H new ATOM 0 HG22 VAL A 106 -7.911 6.985 -7.128 1.00 32.23 H new ATOM 0 HG23 VAL A 106 -9.582 7.439 -6.717 1.00 32.23 H new ATOM 1677 N LEU A 107 -10.230 8.344 -3.706 1.00 44.02 N ATOM 1678 CA LEU A 107 -11.623 8.013 -3.375 1.00 13.14 C ATOM 1679 C LEU A 107 -12.426 7.667 -4.640 1.00 71.23 C ATOM 1680 O LEU A 107 -12.215 8.259 -5.699 1.00 4.31 O ATOM 1681 CB LEU A 107 -12.288 9.184 -2.636 1.00 14.02 C ATOM 1682 CG LEU A 107 -11.708 9.505 -1.248 1.00 43.32 C ATOM 1683 CD1 LEU A 107 -12.379 10.740 -0.656 1.00 65.30 C ATOM 1684 CD2 LEU A 107 -11.857 8.311 -0.306 1.00 51.42 C ATOM 0 H LEU A 107 -9.993 9.330 -3.594 1.00 44.02 H new ATOM 0 HA LEU A 107 -11.615 7.138 -2.725 1.00 13.14 H new ATOM 0 HB2 LEU A 107 -12.210 10.075 -3.258 1.00 14.02 H new ATOM 0 HB3 LEU A 107 -13.350 8.965 -2.525 1.00 14.02 H new ATOM 0 HG LEU A 107 -10.645 9.715 -1.367 1.00 43.32 H new ATOM 0 HD11 LEU A 107 -11.954 10.950 0.326 1.00 65.30 H new ATOM 0 HD12 LEU A 107 -12.214 11.594 -1.313 1.00 65.30 H new ATOM 0 HD13 LEU A 107 -13.450 10.560 -0.557 1.00 65.30 H new ATOM 0 HD21 LEU A 107 -11.440 8.562 0.669 1.00 51.42 H new ATOM 0 HD22 LEU A 107 -12.913 8.064 -0.196 1.00 51.42 H new ATOM 0 HD23 LEU A 107 -11.325 7.454 -0.718 1.00 51.42 H new ATOM 1696 N THR A 108 -13.347 6.713 -4.521 1.00 61.14 N ATOM 1697 CA THR A 108 -14.162 6.278 -5.668 1.00 32.21 C ATOM 1698 C THR A 108 -15.055 7.409 -6.197 1.00 64.01 C ATOM 1699 O THR A 108 -15.877 7.962 -5.462 1.00 13.33 O ATOM 1700 CB THR A 108 -15.057 5.063 -5.317 1.00 2.22 C ATOM 1701 OG1 THR A 108 -14.251 3.986 -4.815 1.00 32.40 O ATOM 1702 CG2 THR A 108 -15.830 4.578 -6.542 1.00 60.10 C ATOM 0 H THR A 108 -13.552 6.225 -3.649 1.00 61.14 H new ATOM 0 HA THR A 108 -13.452 5.987 -6.442 1.00 32.21 H new ATOM 0 HB THR A 108 -15.768 5.381 -4.555 1.00 2.22 H new ATOM 0 HG1 THR A 108 -14.825 3.223 -4.594 1.00 32.40 H new ATOM 0 HG21 THR A 108 -16.450 3.725 -6.267 1.00 60.10 H new ATOM 0 HG22 THR A 108 -16.465 5.382 -6.914 1.00 60.10 H new ATOM 0 HG23 THR A 108 -15.128 4.280 -7.321 1.00 60.10 H new