USER MOD reduce.3.24.130724 H: found=0, std=0, add=953, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 952 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 89 HIS : no HE2:sc= -0.722 K(o=-0.071,f=-2.9) USER MOD Set 1.2: A 110 THR OG1 : rot -22:sc= 0.651 USER MOD Set 2.1: A 65 GLN : amide:sc= 0.587 K(o=0.4,f=-8.1!) USER MOD Set 2.2: A 68 THR OG1 : rot 150:sc= -0.183 USER MOD Single : A 16 SER OG : rot 28:sc= 0.201 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl -133:sc= 0 (180deg=-1.92) USER MOD Single : A 28 SER OG : rot 180:sc= 0.0799 USER MOD Single : A 29 SER OG : rot -1:sc= 1.49 USER MOD Single : A 30 THR OG1 : rot 74:sc= 0.176 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 94:sc= 0.725 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.00219 USER MOD Single : A 41 ASN : amide:sc= -0.0685 X(o=-0.068,f=-0.068) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -1.13! C(o=-1.1!,f=-7.3!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= -1.89 K(o=-1.9,f=-7!) USER MOD Single : A 76 SER OG : rot -91:sc= 0.69 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0236 USER MOD Single : A 86 SER OG : rot -126:sc= 0.735 USER MOD Single : A 95 ASN : amide:sc= -0.355 X(o=-0.35,f=-0.088) USER MOD Single : A 106 SER OG : rot -52:sc= 0.982 USER MOD Single : A 108 ASN : amide:sc= -2.98! C(o=-3!,f=-8.2!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 1.65 K(o=1.7,f=-0.14) USER MOD Single : A 118 ASN : amide:sc= -0.25 X(o=-0.25,f=-0.014) USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 122 MET CE :methyl 168:sc= -0.256 (180deg=-0.905) USER MOD Single : A 123 GLN : amide:sc= 1.11 K(o=1.1,f=-1.1) USER MOD Single : A 124 THR OG1 : rot -150:sc= 0.0186 USER MOD Single : A 129 GLN : amide:sc= 2.99 K(o=3,f=-6.1!) USER MOD Single : A 132 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00868) USER MOD ----------------------------------------------------------------- ATOM 214 N SER A 16 8.207 17.572 6.863 1.00 44.33 N ATOM 215 CA SER A 16 7.481 18.809 6.902 1.00 11.43 C ATOM 216 C SER A 16 6.057 18.523 7.386 1.00 14.10 C ATOM 217 O SER A 16 5.555 17.410 7.216 1.00 44.05 O ATOM 218 CB SER A 16 7.465 19.419 5.505 1.00 33.12 C ATOM 219 OG SER A 16 8.793 19.540 5.011 1.00 1.04 O ATOM 0 HA SER A 16 7.954 19.515 7.585 1.00 11.43 H new ATOM 0 HB2 SER A 16 6.874 18.796 4.834 1.00 33.12 H new ATOM 0 HB3 SER A 16 6.988 20.399 5.533 1.00 33.12 H new ATOM 0 HG SER A 16 9.357 18.848 5.416 1.00 1.04 H new ATOM 225 N VAL A 17 5.433 19.487 8.005 1.00 13.03 N ATOM 226 CA VAL A 17 4.082 19.310 8.483 1.00 1.00 C ATOM 227 C VAL A 17 3.108 19.712 7.380 1.00 53.50 C ATOM 228 O VAL A 17 3.079 20.867 6.952 1.00 40.52 O ATOM 229 CB VAL A 17 3.811 20.157 9.761 1.00 12.02 C ATOM 230 CG1 VAL A 17 2.397 19.919 10.284 1.00 24.53 C ATOM 231 CG2 VAL A 17 4.837 19.843 10.845 1.00 22.41 C ATOM 0 H VAL A 17 5.835 20.405 8.192 1.00 13.03 H new ATOM 0 HA VAL A 17 3.943 18.261 8.746 1.00 1.00 H new ATOM 0 HB VAL A 17 3.904 21.209 9.491 1.00 12.02 H new ATOM 0 HG11 VAL A 17 2.233 20.522 11.177 1.00 24.53 H new ATOM 0 HG12 VAL A 17 1.674 20.200 9.518 1.00 24.53 H new ATOM 0 HG13 VAL A 17 2.273 18.865 10.531 1.00 24.53 H new ATOM 0 HG21 VAL A 17 4.629 20.446 11.729 1.00 22.41 H new ATOM 0 HG22 VAL A 17 4.780 18.786 11.105 1.00 22.41 H new ATOM 0 HG23 VAL A 17 5.837 20.072 10.477 1.00 22.41 H new ATOM 241 N PHE A 18 2.353 18.769 6.901 1.00 42.21 N ATOM 242 CA PHE A 18 1.390 19.007 5.851 1.00 11.35 C ATOM 243 C PHE A 18 0.003 18.847 6.437 1.00 33.44 C ATOM 244 O PHE A 18 -0.288 17.848 7.101 1.00 34.30 O ATOM 245 CB PHE A 18 1.636 18.012 4.711 1.00 4.25 C ATOM 246 CG PHE A 18 0.752 18.125 3.500 1.00 13.21 C ATOM 247 CD1 PHE A 18 -0.447 17.436 3.429 1.00 4.13 C ATOM 248 CD2 PHE A 18 1.141 18.888 2.417 1.00 70.12 C ATOM 249 CE1 PHE A 18 -1.242 17.515 2.308 1.00 25.22 C ATOM 250 CE2 PHE A 18 0.355 18.968 1.289 1.00 60.52 C ATOM 251 CZ PHE A 18 -0.841 18.282 1.232 1.00 52.40 C ATOM 0 H PHE A 18 2.383 17.803 7.226 1.00 42.21 H new ATOM 0 HA PHE A 18 1.487 20.014 5.445 1.00 11.35 H new ATOM 0 HB2 PHE A 18 2.671 18.120 4.386 1.00 4.25 H new ATOM 0 HB3 PHE A 18 1.531 17.004 5.113 1.00 4.25 H new ATOM 0 HD1 PHE A 18 -0.763 16.829 4.264 1.00 4.13 H new ATOM 0 HD2 PHE A 18 2.075 19.430 2.455 1.00 70.12 H new ATOM 0 HE1 PHE A 18 -2.178 16.978 2.270 1.00 25.22 H new ATOM 0 HE2 PHE A 18 0.675 19.567 0.449 1.00 60.52 H new ATOM 0 HZ PHE A 18 -1.461 18.345 0.350 1.00 52.40 H new ATOM 261 N ARG A 19 -0.825 19.835 6.244 1.00 70.43 N ATOM 262 CA ARG A 19 -2.168 19.817 6.764 1.00 72.11 C ATOM 263 C ARG A 19 -3.130 20.075 5.648 1.00 53.00 C ATOM 264 O ARG A 19 -2.900 20.958 4.813 1.00 54.35 O ATOM 265 CB ARG A 19 -2.339 20.858 7.863 1.00 10.14 C ATOM 266 CG ARG A 19 -1.527 20.580 9.105 1.00 61.14 C ATOM 267 CD ARG A 19 -1.721 21.661 10.141 1.00 61.42 C ATOM 268 NE ARG A 19 -0.992 21.359 11.375 1.00 72.13 N ATOM 269 CZ ARG A 19 -0.175 22.201 12.012 1.00 45.13 C ATOM 270 NH1 ARG A 19 0.108 23.387 11.492 1.00 61.25 N ATOM 271 NH2 ARG A 19 0.376 21.847 13.162 1.00 75.52 N ATOM 0 H ARG A 19 -0.589 20.678 5.721 1.00 70.43 H new ATOM 0 HA ARG A 19 -2.368 18.838 7.199 1.00 72.11 H new ATOM 0 HB2 ARG A 19 -2.059 21.835 7.470 1.00 10.14 H new ATOM 0 HB3 ARG A 19 -3.393 20.914 8.135 1.00 10.14 H new ATOM 0 HG2 ARG A 19 -1.817 19.616 9.523 1.00 61.14 H new ATOM 0 HG3 ARG A 19 -0.471 20.509 8.843 1.00 61.14 H new ATOM 0 HD2 ARG A 19 -1.380 22.616 9.740 1.00 61.42 H new ATOM 0 HD3 ARG A 19 -2.783 21.769 10.362 1.00 61.42 H new ATOM 0 HE ARG A 19 -1.119 20.431 11.780 1.00 72.13 H new ATOM 0 HH11 ARG A 19 -0.299 23.662 10.598 1.00 61.25 H new ATOM 0 HH12 ARG A 19 0.733 24.024 11.985 1.00 61.25 H new ATOM 0 HH21 ARG A 19 0.177 20.930 13.562 1.00 75.52 H new ATOM 0 HH22 ARG A 19 1.000 22.491 13.648 1.00 75.52 H new ATOM 285 N ALA A 20 -4.197 19.333 5.622 1.00 42.43 N ATOM 286 CA ALA A 20 -5.142 19.443 4.560 1.00 11.52 C ATOM 287 C ALA A 20 -6.546 19.283 5.077 1.00 75.41 C ATOM 288 O ALA A 20 -6.769 18.706 6.145 1.00 34.20 O ATOM 289 CB ALA A 20 -4.849 18.408 3.484 1.00 4.44 C ATOM 0 H ALA A 20 -4.433 18.640 6.333 1.00 42.43 H new ATOM 0 HA ALA A 20 -5.053 20.437 4.121 1.00 11.52 H new ATOM 0 HB1 ALA A 20 -5.578 18.503 2.679 1.00 4.44 H new ATOM 0 HB2 ALA A 20 -3.847 18.570 3.087 1.00 4.44 H new ATOM 0 HB3 ALA A 20 -4.912 17.408 3.914 1.00 4.44 H new ATOM 295 N ASP A 21 -7.487 19.732 4.274 1.00 43.23 N ATOM 296 CA ASP A 21 -8.940 19.698 4.561 1.00 34.33 C ATOM 297 C ASP A 21 -9.515 18.265 4.581 1.00 64.05 C ATOM 298 O ASP A 21 -10.734 18.070 4.718 1.00 41.20 O ATOM 299 CB ASP A 21 -9.700 20.548 3.528 1.00 61.12 C ATOM 300 CG ASP A 21 -9.489 20.078 2.093 1.00 35.02 C ATOM 301 OD1 ASP A 21 -10.244 19.203 1.608 1.00 61.21 O ATOM 302 OD2 ASP A 21 -8.558 20.585 1.423 1.00 63.32 O ATOM 0 H ASP A 21 -7.274 20.149 3.368 1.00 43.23 H new ATOM 0 HA ASP A 21 -9.074 20.112 5.561 1.00 34.33 H new ATOM 0 HB2 ASP A 21 -10.765 20.523 3.759 1.00 61.12 H new ATOM 0 HB3 ASP A 21 -9.379 21.586 3.615 1.00 61.12 H new ATOM 307 N LEU A 22 -8.634 17.277 4.498 1.00 54.05 N ATOM 308 CA LEU A 22 -8.995 15.868 4.486 1.00 42.43 C ATOM 309 C LEU A 22 -9.782 15.486 5.740 1.00 33.42 C ATOM 310 O LEU A 22 -10.717 14.701 5.676 1.00 14.43 O ATOM 311 CB LEU A 22 -7.713 14.994 4.310 1.00 2.41 C ATOM 312 CG LEU A 22 -6.609 15.079 5.410 1.00 11.54 C ATOM 313 CD1 LEU A 22 -6.892 14.152 6.591 1.00 73.55 C ATOM 314 CD2 LEU A 22 -5.238 14.790 4.832 1.00 10.43 C ATOM 0 H LEU A 22 -7.629 17.437 4.436 1.00 54.05 H new ATOM 0 HA LEU A 22 -9.652 15.679 3.637 1.00 42.43 H new ATOM 0 HB2 LEU A 22 -8.027 13.953 4.232 1.00 2.41 H new ATOM 0 HB3 LEU A 22 -7.256 15.261 3.357 1.00 2.41 H new ATOM 0 HG LEU A 22 -6.623 16.102 5.786 1.00 11.54 H new ATOM 0 HD11 LEU A 22 -6.095 14.248 7.328 1.00 73.55 H new ATOM 0 HD12 LEU A 22 -7.844 14.424 7.047 1.00 73.55 H new ATOM 0 HD13 LEU A 22 -6.940 13.121 6.241 1.00 73.55 H new ATOM 0 HD21 LEU A 22 -4.489 14.856 5.621 1.00 10.43 H new ATOM 0 HD22 LEU A 22 -5.227 13.787 4.405 1.00 10.43 H new ATOM 0 HD23 LEU A 22 -5.010 15.518 4.054 1.00 10.43 H new ATOM 326 N LEU A 23 -9.442 16.115 6.861 1.00 1.03 N ATOM 327 CA LEU A 23 -10.068 15.832 8.138 1.00 10.24 C ATOM 328 C LEU A 23 -11.518 16.303 8.196 1.00 53.21 C ATOM 329 O LEU A 23 -12.308 15.823 8.994 1.00 2.52 O ATOM 330 CB LEU A 23 -9.203 16.378 9.303 1.00 34.43 C ATOM 331 CG LEU A 23 -8.632 17.822 9.182 1.00 43.52 C ATOM 332 CD1 LEU A 23 -9.713 18.895 9.225 1.00 52.23 C ATOM 333 CD2 LEU A 23 -7.591 18.071 10.261 1.00 2.10 C ATOM 0 H LEU A 23 -8.722 16.836 6.904 1.00 1.03 H new ATOM 0 HA LEU A 23 -10.118 14.749 8.253 1.00 10.24 H new ATOM 0 HB2 LEU A 23 -9.802 16.332 10.212 1.00 34.43 H new ATOM 0 HB3 LEU A 23 -8.362 15.698 9.441 1.00 34.43 H new ATOM 0 HG LEU A 23 -8.162 17.893 8.201 1.00 43.52 H new ATOM 0 HD11 LEU A 23 -9.253 19.879 9.136 1.00 52.23 H new ATOM 0 HD12 LEU A 23 -10.409 18.744 8.399 1.00 52.23 H new ATOM 0 HD13 LEU A 23 -10.252 18.831 10.170 1.00 52.23 H new ATOM 0 HD21 LEU A 23 -7.201 19.084 10.164 1.00 2.10 H new ATOM 0 HD22 LEU A 23 -8.049 17.951 11.243 1.00 2.10 H new ATOM 0 HD23 LEU A 23 -6.775 17.356 10.151 1.00 2.10 H new ATOM 345 N LYS A 24 -11.862 17.208 7.316 1.00 51.11 N ATOM 346 CA LYS A 24 -13.192 17.756 7.260 1.00 2.44 C ATOM 347 C LYS A 24 -14.050 16.903 6.315 1.00 73.11 C ATOM 348 O LYS A 24 -15.284 16.856 6.428 1.00 70.32 O ATOM 349 CB LYS A 24 -13.107 19.199 6.735 1.00 74.24 C ATOM 350 CG LYS A 24 -14.416 19.964 6.738 1.00 4.32 C ATOM 351 CD LYS A 24 -14.885 20.264 8.148 1.00 43.42 C ATOM 352 CE LYS A 24 -16.222 20.974 8.134 1.00 72.43 C ATOM 353 NZ LYS A 24 -16.642 21.381 9.485 1.00 64.25 N ATOM 0 H LYS A 24 -11.225 17.587 6.616 1.00 51.11 H new ATOM 0 HA LYS A 24 -13.646 17.754 8.251 1.00 2.44 H new ATOM 0 HB2 LYS A 24 -12.383 19.746 7.339 1.00 74.24 H new ATOM 0 HB3 LYS A 24 -12.720 19.176 5.716 1.00 74.24 H new ATOM 0 HG2 LYS A 24 -14.294 20.897 6.189 1.00 4.32 H new ATOM 0 HG3 LYS A 24 -15.178 19.385 6.216 1.00 4.32 H new ATOM 0 HD2 LYS A 24 -14.968 19.336 8.713 1.00 43.42 H new ATOM 0 HD3 LYS A 24 -14.146 20.882 8.657 1.00 43.42 H new ATOM 0 HE2 LYS A 24 -16.159 21.853 7.493 1.00 72.43 H new ATOM 0 HE3 LYS A 24 -16.977 20.318 7.701 1.00 72.43 H new ATOM 0 HZ1 LYS A 24 -17.562 21.864 9.432 1.00 64.25 H new ATOM 0 HZ2 LYS A 24 -16.727 20.540 10.090 1.00 64.25 H new ATOM 0 HZ3 LYS A 24 -15.935 22.028 9.888 1.00 64.25 H new ATOM 367 N GLU A 25 -13.380 16.203 5.419 1.00 54.23 N ATOM 368 CA GLU A 25 -14.034 15.434 4.384 1.00 65.35 C ATOM 369 C GLU A 25 -14.155 13.942 4.729 1.00 35.23 C ATOM 370 O GLU A 25 -15.222 13.365 4.566 1.00 5.20 O ATOM 371 CB GLU A 25 -13.315 15.655 3.042 1.00 10.14 C ATOM 372 CG GLU A 25 -13.853 14.841 1.879 1.00 51.12 C ATOM 373 CD GLU A 25 -13.256 15.250 0.554 1.00 52.13 C ATOM 374 OE1 GLU A 25 -12.023 15.151 0.368 1.00 22.25 O ATOM 375 OE2 GLU A 25 -14.028 15.653 -0.351 1.00 14.23 O ATOM 0 H GLU A 25 -12.362 16.153 5.391 1.00 54.23 H new ATOM 0 HA GLU A 25 -15.059 15.795 4.301 1.00 65.35 H new ATOM 0 HB2 GLU A 25 -13.377 16.712 2.784 1.00 10.14 H new ATOM 0 HB3 GLU A 25 -12.258 15.420 3.171 1.00 10.14 H new ATOM 0 HG2 GLU A 25 -13.648 13.785 2.055 1.00 51.12 H new ATOM 0 HG3 GLU A 25 -14.936 14.952 1.834 1.00 51.12 H new ATOM 382 N MET A 26 -13.088 13.343 5.280 1.00 23.45 N ATOM 383 CA MET A 26 -13.047 11.874 5.550 1.00 72.11 C ATOM 384 C MET A 26 -14.018 11.432 6.663 1.00 15.53 C ATOM 385 O MET A 26 -14.134 10.234 6.966 1.00 72.12 O ATOM 386 CB MET A 26 -11.619 11.400 5.878 1.00 60.41 C ATOM 387 CG MET A 26 -11.076 11.898 7.209 1.00 32.33 C ATOM 388 SD MET A 26 -9.388 11.352 7.512 1.00 41.01 S ATOM 389 CE MET A 26 -9.122 12.014 9.157 1.00 61.11 C ATOM 0 H MET A 26 -12.239 13.840 5.551 1.00 23.45 H new ATOM 0 HA MET A 26 -13.378 11.398 4.627 1.00 72.11 H new ATOM 0 HB2 MET A 26 -11.603 10.310 5.879 1.00 60.41 H new ATOM 0 HB3 MET A 26 -10.950 11.727 5.082 1.00 60.41 H new ATOM 0 HG2 MET A 26 -11.111 12.987 7.227 1.00 32.33 H new ATOM 0 HG3 MET A 26 -11.719 11.545 8.015 1.00 32.33 H new ATOM 0 HE1 MET A 26 -8.159 12.523 9.193 1.00 61.11 H new ATOM 0 HE2 MET A 26 -9.915 12.722 9.397 1.00 61.11 H new ATOM 0 HE3 MET A 26 -9.130 11.200 9.882 1.00 61.11 H new ATOM 399 N GLU A 27 -14.719 12.395 7.234 1.00 1.11 N ATOM 400 CA GLU A 27 -15.723 12.174 8.278 1.00 2.53 C ATOM 401 C GLU A 27 -16.820 11.219 7.796 1.00 10.24 C ATOM 402 O GLU A 27 -17.403 10.483 8.587 1.00 33.52 O ATOM 403 CB GLU A 27 -16.338 13.514 8.647 1.00 2.40 C ATOM 404 CG GLU A 27 -15.368 14.482 9.289 1.00 61.13 C ATOM 405 CD GLU A 27 -15.023 14.095 10.703 1.00 11.22 C ATOM 406 OE1 GLU A 27 -14.186 13.202 10.908 1.00 3.42 O ATOM 407 OE2 GLU A 27 -15.602 14.685 11.639 1.00 60.34 O ATOM 0 H GLU A 27 -14.609 13.378 6.984 1.00 1.11 H new ATOM 0 HA GLU A 27 -15.242 11.722 9.145 1.00 2.53 H new ATOM 0 HB2 GLU A 27 -16.751 13.972 7.748 1.00 2.40 H new ATOM 0 HB3 GLU A 27 -17.171 13.344 9.330 1.00 2.40 H new ATOM 0 HG2 GLU A 27 -14.456 14.526 8.694 1.00 61.13 H new ATOM 0 HG3 GLU A 27 -15.800 15.483 9.284 1.00 61.13 H new ATOM 414 N SER A 28 -17.051 11.222 6.501 1.00 3.10 N ATOM 415 CA SER A 28 -18.042 10.401 5.853 1.00 2.40 C ATOM 416 C SER A 28 -17.720 8.910 6.007 1.00 63.30 C ATOM 417 O SER A 28 -18.582 8.102 6.355 1.00 10.25 O ATOM 418 CB SER A 28 -18.035 10.795 4.390 1.00 64.52 C ATOM 419 OG SER A 28 -16.684 10.896 3.940 1.00 71.23 O ATOM 0 H SER A 28 -16.536 11.817 5.852 1.00 3.10 H new ATOM 0 HA SER A 28 -19.022 10.556 6.304 1.00 2.40 H new ATOM 0 HB2 SER A 28 -18.574 10.055 3.799 1.00 64.52 H new ATOM 0 HB3 SER A 28 -18.549 11.747 4.254 1.00 64.52 H new ATOM 0 HG SER A 28 -16.673 11.149 2.993 1.00 71.23 H new ATOM 425 N SER A 29 -16.469 8.575 5.783 1.00 4.24 N ATOM 426 CA SER A 29 -16.025 7.210 5.832 1.00 75.31 C ATOM 427 C SER A 29 -15.806 6.716 7.260 1.00 2.00 C ATOM 428 O SER A 29 -15.779 5.506 7.518 1.00 41.12 O ATOM 429 CB SER A 29 -14.767 7.058 4.981 1.00 10.53 C ATOM 430 OG SER A 29 -13.763 8.025 5.329 1.00 50.51 O ATOM 0 H SER A 29 -15.734 9.246 5.562 1.00 4.24 H new ATOM 0 HA SER A 29 -16.813 6.579 5.421 1.00 75.31 H new ATOM 0 HB2 SER A 29 -14.363 6.054 5.107 1.00 10.53 H new ATOM 0 HB3 SER A 29 -15.026 7.167 3.928 1.00 10.53 H new ATOM 0 HG SER A 29 -14.104 8.610 6.038 1.00 50.51 H new ATOM 436 N THR A 30 -15.657 7.623 8.184 1.00 11.01 N ATOM 437 CA THR A 30 -15.423 7.237 9.535 1.00 61.50 C ATOM 438 C THR A 30 -16.755 7.038 10.265 1.00 15.52 C ATOM 439 O THR A 30 -17.256 7.925 10.956 1.00 71.25 O ATOM 440 CB THR A 30 -14.508 8.246 10.254 1.00 15.12 C ATOM 441 OG1 THR A 30 -13.338 8.458 9.440 1.00 45.40 O ATOM 442 CG2 THR A 30 -14.065 7.715 11.618 1.00 70.40 C ATOM 0 H THR A 30 -15.694 8.629 8.022 1.00 11.01 H new ATOM 0 HA THR A 30 -14.896 6.283 9.541 1.00 61.50 H new ATOM 0 HB THR A 30 -15.059 9.174 10.406 1.00 15.12 H new ATOM 0 HG1 THR A 30 -13.574 9.009 8.665 1.00 45.40 H new ATOM 0 HG21 THR A 30 -13.420 8.449 12.102 1.00 70.40 H new ATOM 0 HG22 THR A 30 -14.941 7.535 12.241 1.00 70.40 H new ATOM 0 HG23 THR A 30 -13.517 6.782 11.485 1.00 70.40 H new ATOM 450 N GLY A 31 -17.358 5.906 10.009 1.00 24.03 N ATOM 451 CA GLY A 31 -18.583 5.529 10.648 1.00 74.13 C ATOM 452 C GLY A 31 -18.428 4.174 11.235 1.00 60.12 C ATOM 453 O GLY A 31 -17.754 4.009 12.248 1.00 4.31 O ATOM 0 H GLY A 31 -17.006 5.217 9.345 1.00 24.03 H new ATOM 0 HA2 GLY A 31 -18.838 6.249 11.426 1.00 74.13 H new ATOM 0 HA3 GLY A 31 -19.401 5.535 9.927 1.00 74.13 H new ATOM 457 N THR A 32 -19.007 3.198 10.616 1.00 73.44 N ATOM 458 CA THR A 32 -18.799 1.870 11.043 1.00 21.04 C ATOM 459 C THR A 32 -17.755 1.255 10.112 1.00 51.54 C ATOM 460 O THR A 32 -17.946 1.202 8.890 1.00 11.31 O ATOM 461 CB THR A 32 -20.128 1.087 10.964 1.00 61.11 C ATOM 462 OG1 THR A 32 -21.149 1.823 11.689 1.00 12.40 O ATOM 463 CG2 THR A 32 -19.985 -0.297 11.579 1.00 71.44 C ATOM 0 H THR A 32 -19.627 3.304 9.813 1.00 73.44 H new ATOM 0 HA THR A 32 -18.451 1.836 12.075 1.00 21.04 H new ATOM 0 HB THR A 32 -20.404 0.973 9.916 1.00 61.11 H new ATOM 0 HG1 THR A 32 -21.998 1.335 11.644 1.00 12.40 H new ATOM 0 HG21 THR A 32 -20.936 -0.826 11.510 1.00 71.44 H new ATOM 0 HG22 THR A 32 -19.219 -0.856 11.042 1.00 71.44 H new ATOM 0 HG23 THR A 32 -19.698 -0.202 12.626 1.00 71.44 H new ATOM 471 N ALA A 33 -16.650 0.865 10.680 1.00 2.51 N ATOM 472 CA ALA A 33 -15.580 0.225 9.967 1.00 74.14 C ATOM 473 C ALA A 33 -15.188 -1.034 10.697 1.00 53.52 C ATOM 474 O ALA A 33 -14.771 -0.962 11.858 1.00 11.24 O ATOM 475 CB ALA A 33 -14.381 1.161 9.842 1.00 21.31 C ATOM 0 H ALA A 33 -16.463 0.986 11.675 1.00 2.51 H new ATOM 0 HA ALA A 33 -15.917 -0.025 8.961 1.00 74.14 H new ATOM 0 HB1 ALA A 33 -13.581 0.657 9.299 1.00 21.31 H new ATOM 0 HB2 ALA A 33 -14.676 2.060 9.302 1.00 21.31 H new ATOM 0 HB3 ALA A 33 -14.028 1.435 10.836 1.00 21.31 H new ATOM 481 N PRO A 34 -15.393 -2.201 10.114 1.00 62.31 N ATOM 482 CA PRO A 34 -14.946 -3.437 10.720 1.00 2.51 C ATOM 483 C PRO A 34 -13.440 -3.598 10.556 1.00 33.03 C ATOM 484 O PRO A 34 -12.828 -2.973 9.674 1.00 62.54 O ATOM 485 CB PRO A 34 -15.683 -4.525 9.931 1.00 2.13 C ATOM 486 CG PRO A 34 -15.977 -3.910 8.605 1.00 52.32 C ATOM 487 CD PRO A 34 -16.079 -2.420 8.825 1.00 44.55 C ATOM 0 HA PRO A 34 -15.150 -3.477 11.790 1.00 2.51 H new ATOM 0 HB2 PRO A 34 -15.069 -5.419 9.824 1.00 2.13 H new ATOM 0 HB3 PRO A 34 -16.600 -4.827 10.438 1.00 2.13 H new ATOM 0 HG2 PRO A 34 -15.189 -4.141 7.889 1.00 52.32 H new ATOM 0 HG3 PRO A 34 -16.907 -4.304 8.194 1.00 52.32 H new ATOM 0 HD2 PRO A 34 -15.601 -1.864 8.019 1.00 44.55 H new ATOM 0 HD3 PRO A 34 -17.118 -2.093 8.865 1.00 44.55 H new ATOM 495 N ALA A 35 -12.830 -4.379 11.400 1.00 32.55 N ATOM 496 CA ALA A 35 -11.444 -4.668 11.218 1.00 40.13 C ATOM 497 C ALA A 35 -11.357 -5.768 10.202 1.00 51.34 C ATOM 498 O ALA A 35 -12.007 -6.804 10.350 1.00 71.30 O ATOM 499 CB ALA A 35 -10.794 -5.075 12.520 1.00 51.20 C ATOM 0 H ALA A 35 -13.266 -4.820 12.210 1.00 32.55 H new ATOM 0 HA ALA A 35 -10.910 -3.783 10.873 1.00 40.13 H new ATOM 0 HB1 ALA A 35 -9.739 -5.289 12.349 1.00 51.20 H new ATOM 0 HB2 ALA A 35 -10.887 -4.264 13.242 1.00 51.20 H new ATOM 0 HB3 ALA A 35 -11.286 -5.966 12.909 1.00 51.20 H new ATOM 505 N SER A 36 -10.608 -5.539 9.179 1.00 42.02 N ATOM 506 CA SER A 36 -10.502 -6.465 8.094 1.00 1.01 C ATOM 507 C SER A 36 -9.723 -7.718 8.514 1.00 24.31 C ATOM 508 O SER A 36 -8.551 -7.651 8.855 1.00 74.52 O ATOM 509 CB SER A 36 -9.842 -5.753 6.939 1.00 74.43 C ATOM 510 OG SER A 36 -10.531 -4.527 6.675 1.00 32.21 O ATOM 0 H SER A 36 -10.044 -4.696 9.067 1.00 42.02 H new ATOM 0 HA SER A 36 -11.491 -6.808 7.791 1.00 1.01 H new ATOM 0 HB2 SER A 36 -8.796 -5.552 7.172 1.00 74.43 H new ATOM 0 HB3 SER A 36 -9.854 -6.387 6.053 1.00 74.43 H new ATOM 0 HG SER A 36 -10.091 -3.795 7.155 1.00 32.21 H new ATOM 516 N THR A 37 -10.392 -8.828 8.544 1.00 64.00 N ATOM 517 CA THR A 37 -9.783 -10.065 8.928 1.00 12.12 C ATOM 518 C THR A 37 -9.398 -10.870 7.694 1.00 21.41 C ATOM 519 O THR A 37 -10.141 -10.883 6.709 1.00 25.20 O ATOM 520 CB THR A 37 -10.750 -10.878 9.814 1.00 71.32 C ATOM 521 OG1 THR A 37 -12.026 -11.000 9.154 1.00 60.22 O ATOM 522 CG2 THR A 37 -10.944 -10.205 11.167 1.00 54.43 C ATOM 0 H THR A 37 -11.380 -8.903 8.302 1.00 64.00 H new ATOM 0 HA THR A 37 -8.880 -9.849 9.498 1.00 12.12 H new ATOM 0 HB THR A 37 -10.319 -11.866 9.975 1.00 71.32 H new ATOM 0 HG1 THR A 37 -12.638 -11.518 9.718 1.00 60.22 H new ATOM 0 HG21 THR A 37 -11.630 -10.797 11.773 1.00 54.43 H new ATOM 0 HG22 THR A 37 -9.983 -10.128 11.676 1.00 54.43 H new ATOM 0 HG23 THR A 37 -11.358 -9.207 11.021 1.00 54.43 H new ATOM 530 N GLY A 38 -8.259 -11.512 7.741 1.00 5.51 N ATOM 531 CA GLY A 38 -7.807 -12.326 6.637 1.00 45.01 C ATOM 532 C GLY A 38 -6.303 -12.484 6.638 1.00 53.31 C ATOM 533 O GLY A 38 -5.766 -13.484 6.157 1.00 44.55 O ATOM 0 H GLY A 38 -7.622 -11.488 8.537 1.00 5.51 H new ATOM 0 HA2 GLY A 38 -8.276 -13.308 6.693 1.00 45.01 H new ATOM 0 HA3 GLY A 38 -8.125 -11.874 5.697 1.00 45.01 H new ATOM 537 N ALA A 39 -5.620 -11.526 7.232 1.00 11.25 N ATOM 538 CA ALA A 39 -4.167 -11.523 7.262 1.00 23.04 C ATOM 539 C ALA A 39 -3.662 -12.534 8.273 1.00 1.22 C ATOM 540 O ALA A 39 -2.633 -13.161 8.075 1.00 35.31 O ATOM 541 CB ALA A 39 -3.647 -10.135 7.584 1.00 34.35 C ATOM 0 H ALA A 39 -6.051 -10.732 7.705 1.00 11.25 H new ATOM 0 HA ALA A 39 -3.795 -11.806 6.277 1.00 23.04 H new ATOM 0 HB1 ALA A 39 -2.557 -10.150 7.603 1.00 34.35 H new ATOM 0 HB2 ALA A 39 -3.987 -9.433 6.823 1.00 34.35 H new ATOM 0 HB3 ALA A 39 -4.022 -9.823 8.559 1.00 34.35 H new ATOM 547 N GLU A 40 -4.446 -12.735 9.313 1.00 40.01 N ATOM 548 CA GLU A 40 -4.124 -13.660 10.398 1.00 51.41 C ATOM 549 C GLU A 40 -4.215 -15.087 9.882 1.00 22.52 C ATOM 550 O GLU A 40 -3.597 -16.007 10.413 1.00 65.34 O ATOM 551 CB GLU A 40 -5.125 -13.530 11.563 1.00 23.21 C ATOM 552 CG GLU A 40 -5.686 -12.135 11.826 1.00 3.11 C ATOM 553 CD GLU A 40 -6.845 -11.780 10.908 1.00 21.02 C ATOM 554 OE1 GLU A 40 -7.999 -12.064 11.266 1.00 3.31 O ATOM 555 OE2 GLU A 40 -6.617 -11.258 9.807 1.00 64.13 O ATOM 0 H GLU A 40 -5.339 -12.257 9.436 1.00 40.01 H new ATOM 0 HA GLU A 40 -3.120 -13.421 10.750 1.00 51.41 H new ATOM 0 HB2 GLU A 40 -5.961 -14.203 11.372 1.00 23.21 H new ATOM 0 HB3 GLU A 40 -4.637 -13.879 12.473 1.00 23.21 H new ATOM 0 HG2 GLU A 40 -6.018 -12.072 12.862 1.00 3.11 H new ATOM 0 HG3 GLU A 40 -4.891 -11.400 11.700 1.00 3.11 H new ATOM 562 N ASN A 41 -5.000 -15.247 8.849 1.00 55.22 N ATOM 563 CA ASN A 41 -5.252 -16.537 8.227 1.00 63.42 C ATOM 564 C ASN A 41 -4.172 -16.835 7.204 1.00 5.31 C ATOM 565 O ASN A 41 -4.010 -17.986 6.767 1.00 71.30 O ATOM 566 CB ASN A 41 -6.665 -16.559 7.590 1.00 41.40 C ATOM 567 CG ASN A 41 -6.978 -17.837 6.810 1.00 11.35 C ATOM 568 OD1 ASN A 41 -6.753 -17.912 5.597 1.00 62.24 O ATOM 569 ND2 ASN A 41 -7.484 -18.840 7.477 1.00 14.42 N ATOM 0 H ASN A 41 -5.495 -14.475 8.402 1.00 55.22 H new ATOM 0 HA ASN A 41 -5.222 -17.318 8.986 1.00 63.42 H new ATOM 0 HB2 ASN A 41 -7.409 -16.435 8.377 1.00 41.40 H new ATOM 0 HB3 ASN A 41 -6.764 -15.704 6.921 1.00 41.40 H new ATOM 0 HD21 ASN A 41 -7.704 -19.713 6.997 1.00 14.42 H new ATOM 0 HD22 ASN A 41 -7.659 -18.750 8.478 1.00 14.42 H new ATOM 576 N LEU A 42 -3.404 -15.789 6.865 1.00 5.11 N ATOM 577 CA LEU A 42 -2.310 -15.868 5.924 1.00 52.03 C ATOM 578 C LEU A 42 -2.811 -16.229 4.522 1.00 33.33 C ATOM 579 O LEU A 42 -2.956 -17.411 4.189 1.00 63.44 O ATOM 580 CB LEU A 42 -1.247 -16.853 6.417 1.00 4.43 C ATOM 581 CG LEU A 42 -0.484 -16.461 7.691 1.00 32.32 C ATOM 582 CD1 LEU A 42 0.474 -17.569 8.098 1.00 34.10 C ATOM 583 CD2 LEU A 42 0.275 -15.155 7.490 1.00 23.52 C ATOM 0 H LEU A 42 -3.539 -14.855 7.251 1.00 5.11 H new ATOM 0 HA LEU A 42 -1.845 -14.884 5.855 1.00 52.03 H new ATOM 0 HB2 LEU A 42 -1.729 -17.815 6.591 1.00 4.43 H new ATOM 0 HB3 LEU A 42 -0.521 -17.000 5.617 1.00 4.43 H new ATOM 0 HG LEU A 42 -1.211 -16.315 8.490 1.00 32.32 H new ATOM 0 HD11 LEU A 42 1.007 -17.275 9.002 1.00 34.10 H new ATOM 0 HD12 LEU A 42 -0.087 -18.484 8.288 1.00 34.10 H new ATOM 0 HD13 LEU A 42 1.191 -17.744 7.295 1.00 34.10 H new ATOM 0 HD21 LEU A 42 0.807 -14.899 8.406 1.00 23.52 H new ATOM 0 HD22 LEU A 42 0.990 -15.271 6.675 1.00 23.52 H new ATOM 0 HD23 LEU A 42 -0.428 -14.359 7.244 1.00 23.52 H new ATOM 595 N PRO A 43 -3.127 -15.206 3.694 1.00 71.22 N ATOM 596 CA PRO A 43 -3.685 -15.404 2.348 1.00 60.12 C ATOM 597 C PRO A 43 -2.860 -16.353 1.463 1.00 63.30 C ATOM 598 O PRO A 43 -3.287 -17.464 1.178 1.00 61.13 O ATOM 599 CB PRO A 43 -3.724 -13.994 1.747 1.00 1.24 C ATOM 600 CG PRO A 43 -2.928 -13.131 2.673 1.00 3.54 C ATOM 601 CD PRO A 43 -3.002 -13.772 4.018 1.00 2.41 C ATOM 0 HA PRO A 43 -4.662 -15.884 2.405 1.00 60.12 H new ATOM 0 HB2 PRO A 43 -3.299 -13.985 0.743 1.00 1.24 H new ATOM 0 HB3 PRO A 43 -4.749 -13.634 1.662 1.00 1.24 H new ATOM 0 HG2 PRO A 43 -1.894 -13.052 2.337 1.00 3.54 H new ATOM 0 HG3 PRO A 43 -3.331 -12.119 2.703 1.00 3.54 H new ATOM 0 HD2 PRO A 43 -2.111 -13.568 4.612 1.00 2.41 H new ATOM 0 HD3 PRO A 43 -3.856 -13.411 4.591 1.00 2.41 H new ATOM 609 N ALA A 44 -1.677 -15.930 1.058 1.00 10.44 N ATOM 610 CA ALA A 44 -0.840 -16.772 0.203 1.00 23.43 C ATOM 611 C ALA A 44 0.630 -16.530 0.482 1.00 60.31 C ATOM 612 O ALA A 44 1.484 -16.888 -0.305 1.00 24.43 O ATOM 613 CB ALA A 44 -1.147 -16.487 -1.264 1.00 61.41 C ATOM 0 H ALA A 44 -1.273 -15.025 1.299 1.00 10.44 H new ATOM 0 HA ALA A 44 -1.063 -17.816 0.422 1.00 23.43 H new ATOM 0 HB1 ALA A 44 -0.521 -17.117 -1.896 1.00 61.41 H new ATOM 0 HB2 ALA A 44 -2.197 -16.702 -1.464 1.00 61.41 H new ATOM 0 HB3 ALA A 44 -0.943 -15.439 -1.481 1.00 61.41 H new ATOM 619 N GLY A 45 0.916 -15.909 1.610 1.00 72.54 N ATOM 620 CA GLY A 45 2.301 -15.572 1.952 1.00 21.30 C ATOM 621 C GLY A 45 2.729 -14.254 1.323 1.00 42.41 C ATOM 622 O GLY A 45 3.763 -13.689 1.658 1.00 73.44 O ATOM 0 H GLY A 45 0.223 -15.627 2.303 1.00 72.54 H new ATOM 0 HA2 GLY A 45 2.404 -15.509 3.035 1.00 21.30 H new ATOM 0 HA3 GLY A 45 2.964 -16.369 1.615 1.00 21.30 H new ATOM 626 N SER A 46 1.929 -13.778 0.408 1.00 11.41 N ATOM 627 CA SER A 46 2.131 -12.517 -0.237 1.00 41.24 C ATOM 628 C SER A 46 0.779 -11.834 -0.322 1.00 13.34 C ATOM 629 O SER A 46 -0.270 -12.520 -0.345 1.00 52.30 O ATOM 630 CB SER A 46 2.686 -12.728 -1.644 1.00 53.33 C ATOM 631 OG SER A 46 3.818 -13.577 -1.621 1.00 52.52 O ATOM 0 H SER A 46 1.098 -14.273 0.085 1.00 11.41 H new ATOM 0 HA SER A 46 2.843 -11.911 0.323 1.00 41.24 H new ATOM 0 HB2 SER A 46 1.915 -13.161 -2.282 1.00 53.33 H new ATOM 0 HB3 SER A 46 2.957 -11.766 -2.080 1.00 53.33 H new ATOM 0 HG SER A 46 4.155 -13.698 -2.533 1.00 52.52 H new ATOM 637 N ALA A 47 0.795 -10.540 -0.333 1.00 31.24 N ATOM 638 CA ALA A 47 -0.390 -9.726 -0.422 1.00 21.20 C ATOM 639 C ALA A 47 0.012 -8.430 -1.074 1.00 10.32 C ATOM 640 O ALA A 47 1.199 -8.086 -1.057 1.00 31.32 O ATOM 641 CB ALA A 47 -0.996 -9.501 0.949 1.00 20.43 C ATOM 0 H ALA A 47 1.657 -9.997 -0.279 1.00 31.24 H new ATOM 0 HA ALA A 47 -1.158 -10.221 -1.016 1.00 21.20 H new ATOM 0 HB1 ALA A 47 -1.889 -8.884 0.855 1.00 20.43 H new ATOM 0 HB2 ALA A 47 -1.263 -10.461 1.391 1.00 20.43 H new ATOM 0 HB3 ALA A 47 -0.272 -8.996 1.589 1.00 20.43 H new ATOM 647 N LEU A 48 -0.908 -7.736 -1.663 1.00 41.42 N ATOM 648 CA LEU A 48 -0.571 -6.557 -2.403 1.00 72.41 C ATOM 649 C LEU A 48 -1.336 -5.350 -1.943 1.00 63.21 C ATOM 650 O LEU A 48 -2.401 -5.459 -1.354 1.00 33.01 O ATOM 651 CB LEU A 48 -0.761 -6.800 -3.925 1.00 63.30 C ATOM 652 CG LEU A 48 -2.141 -7.295 -4.428 1.00 14.04 C ATOM 653 CD1 LEU A 48 -3.216 -6.208 -4.407 1.00 4.44 C ATOM 654 CD2 LEU A 48 -2.006 -7.864 -5.809 1.00 3.43 C ATOM 0 H LEU A 48 -1.902 -7.964 -1.647 1.00 41.42 H new ATOM 0 HA LEU A 48 0.481 -6.344 -2.213 1.00 72.41 H new ATOM 0 HB2 LEU A 48 -0.536 -5.866 -4.440 1.00 63.30 H new ATOM 0 HB3 LEU A 48 -0.013 -7.527 -4.241 1.00 63.30 H new ATOM 0 HG LEU A 48 -2.471 -8.069 -3.735 1.00 14.04 H new ATOM 0 HD11 LEU A 48 -4.157 -6.620 -4.771 1.00 4.44 H new ATOM 0 HD12 LEU A 48 -3.348 -5.847 -3.387 1.00 4.44 H new ATOM 0 HD13 LEU A 48 -2.910 -5.381 -5.048 1.00 4.44 H new ATOM 0 HD21 LEU A 48 -2.979 -8.210 -6.157 1.00 3.43 H new ATOM 0 HD22 LEU A 48 -1.632 -7.095 -6.485 1.00 3.43 H new ATOM 0 HD23 LEU A 48 -1.308 -8.701 -5.791 1.00 3.43 H new ATOM 666 N LEU A 49 -0.793 -4.219 -2.202 1.00 24.01 N ATOM 667 CA LEU A 49 -1.481 -3.000 -1.961 1.00 55.51 C ATOM 668 C LEU A 49 -1.719 -2.339 -3.291 1.00 23.22 C ATOM 669 O LEU A 49 -0.867 -2.422 -4.185 1.00 63.32 O ATOM 670 CB LEU A 49 -0.737 -2.098 -0.928 1.00 5.33 C ATOM 671 CG LEU A 49 0.730 -1.698 -1.206 1.00 20.31 C ATOM 672 CD1 LEU A 49 0.834 -0.601 -2.252 1.00 2.43 C ATOM 673 CD2 LEU A 49 1.412 -1.271 0.080 1.00 34.04 C ATOM 0 H LEU A 49 0.144 -4.109 -2.589 1.00 24.01 H new ATOM 0 HA LEU A 49 -2.445 -3.191 -1.490 1.00 55.51 H new ATOM 0 HB2 LEU A 49 -1.314 -1.180 -0.817 1.00 5.33 H new ATOM 0 HB3 LEU A 49 -0.763 -2.609 0.034 1.00 5.33 H new ATOM 0 HG LEU A 49 1.238 -2.576 -1.606 1.00 20.31 H new ATOM 0 HD11 LEU A 49 1.883 -0.352 -2.415 1.00 2.43 H new ATOM 0 HD12 LEU A 49 0.393 -0.947 -3.187 1.00 2.43 H new ATOM 0 HD13 LEU A 49 0.301 0.284 -1.905 1.00 2.43 H new ATOM 0 HD21 LEU A 49 2.444 -0.992 -0.131 1.00 34.04 H new ATOM 0 HD22 LEU A 49 0.885 -0.417 0.505 1.00 34.04 H new ATOM 0 HD23 LEU A 49 1.397 -2.097 0.791 1.00 34.04 H new ATOM 685 N VAL A 50 -2.866 -1.779 -3.467 1.00 23.43 N ATOM 686 CA VAL A 50 -3.188 -1.128 -4.701 1.00 23.14 C ATOM 687 C VAL A 50 -3.763 0.246 -4.418 1.00 31.22 C ATOM 688 O VAL A 50 -4.590 0.412 -3.512 1.00 74.21 O ATOM 689 CB VAL A 50 -4.148 -1.993 -5.592 1.00 0.11 C ATOM 690 CG1 VAL A 50 -5.488 -2.262 -4.912 1.00 10.55 C ATOM 691 CG2 VAL A 50 -4.352 -1.362 -6.967 1.00 52.21 C ATOM 0 H VAL A 50 -3.607 -1.756 -2.767 1.00 23.43 H new ATOM 0 HA VAL A 50 -2.270 -1.009 -5.277 1.00 23.14 H new ATOM 0 HB VAL A 50 -3.659 -2.957 -5.729 1.00 0.11 H new ATOM 0 HG11 VAL A 50 -6.115 -2.864 -5.569 1.00 10.55 H new ATOM 0 HG12 VAL A 50 -5.321 -2.799 -3.978 1.00 10.55 H new ATOM 0 HG13 VAL A 50 -5.986 -1.315 -4.702 1.00 10.55 H new ATOM 0 HG21 VAL A 50 -5.022 -1.987 -7.558 1.00 52.21 H new ATOM 0 HG22 VAL A 50 -4.789 -0.370 -6.851 1.00 52.21 H new ATOM 0 HG23 VAL A 50 -3.391 -1.278 -7.475 1.00 52.21 H new ATOM 701 N VAL A 51 -3.291 1.227 -5.136 1.00 41.24 N ATOM 702 CA VAL A 51 -3.756 2.574 -4.958 1.00 4.34 C ATOM 703 C VAL A 51 -5.127 2.698 -5.585 1.00 33.35 C ATOM 704 O VAL A 51 -5.299 2.488 -6.799 1.00 1.34 O ATOM 705 CB VAL A 51 -2.792 3.594 -5.593 1.00 74.32 C ATOM 706 CG1 VAL A 51 -3.182 5.016 -5.215 1.00 73.51 C ATOM 707 CG2 VAL A 51 -1.348 3.302 -5.202 1.00 63.12 C ATOM 0 H VAL A 51 -2.578 1.117 -5.857 1.00 41.24 H new ATOM 0 HA VAL A 51 -3.805 2.792 -3.891 1.00 4.34 H new ATOM 0 HB VAL A 51 -2.869 3.499 -6.676 1.00 74.32 H new ATOM 0 HG11 VAL A 51 -2.487 5.718 -5.675 1.00 73.51 H new ATOM 0 HG12 VAL A 51 -4.193 5.222 -5.568 1.00 73.51 H new ATOM 0 HG13 VAL A 51 -3.146 5.127 -4.131 1.00 73.51 H new ATOM 0 HG21 VAL A 51 -0.690 4.038 -5.665 1.00 63.12 H new ATOM 0 HG22 VAL A 51 -1.247 3.355 -4.118 1.00 63.12 H new ATOM 0 HG23 VAL A 51 -1.073 2.304 -5.543 1.00 63.12 H new ATOM 717 N LYS A 52 -6.086 3.015 -4.758 1.00 31.21 N ATOM 718 CA LYS A 52 -7.460 3.140 -5.164 1.00 0.21 C ATOM 719 C LYS A 52 -7.675 4.523 -5.725 1.00 52.23 C ATOM 720 O LYS A 52 -8.295 4.697 -6.765 1.00 63.32 O ATOM 721 CB LYS A 52 -8.372 2.919 -3.944 1.00 3.32 C ATOM 722 CG LYS A 52 -9.873 2.992 -4.220 1.00 62.01 C ATOM 723 CD LYS A 52 -10.349 1.847 -5.101 1.00 73.42 C ATOM 724 CE LYS A 52 -11.851 1.914 -5.319 1.00 21.40 C ATOM 725 NZ LYS A 52 -12.364 0.773 -6.101 1.00 53.30 N ATOM 0 H LYS A 52 -5.932 3.197 -3.766 1.00 31.21 H new ATOM 0 HA LYS A 52 -7.698 2.397 -5.925 1.00 0.21 H new ATOM 0 HB2 LYS A 52 -8.146 1.942 -3.517 1.00 3.32 H new ATOM 0 HB3 LYS A 52 -8.123 3.663 -3.187 1.00 3.32 H new ATOM 0 HG2 LYS A 52 -10.416 2.972 -3.275 1.00 62.01 H new ATOM 0 HG3 LYS A 52 -10.107 3.941 -4.702 1.00 62.01 H new ATOM 0 HD2 LYS A 52 -9.837 1.886 -6.062 1.00 73.42 H new ATOM 0 HD3 LYS A 52 -10.087 0.895 -4.639 1.00 73.42 H new ATOM 0 HE2 LYS A 52 -12.353 1.942 -4.352 1.00 21.40 H new ATOM 0 HE3 LYS A 52 -12.098 2.842 -5.834 1.00 21.40 H new ATOM 0 HZ1 LYS A 52 -13.393 0.868 -6.220 1.00 53.30 H new ATOM 0 HZ2 LYS A 52 -11.907 0.759 -7.035 1.00 53.30 H new ATOM 0 HZ3 LYS A 52 -12.154 -0.114 -5.600 1.00 53.30 H new ATOM 739 N ARG A 53 -7.128 5.492 -5.050 1.00 13.10 N ATOM 740 CA ARG A 53 -7.279 6.869 -5.444 1.00 31.52 C ATOM 741 C ARG A 53 -6.009 7.613 -5.140 1.00 73.31 C ATOM 742 O ARG A 53 -5.454 7.466 -4.050 1.00 51.20 O ATOM 743 CB ARG A 53 -8.473 7.539 -4.732 1.00 70.24 C ATOM 744 CG ARG A 53 -8.632 9.004 -5.110 1.00 52.44 C ATOM 745 CD ARG A 53 -9.789 9.686 -4.415 1.00 13.33 C ATOM 746 NE ARG A 53 -9.802 11.113 -4.756 1.00 21.42 N ATOM 747 CZ ARG A 53 -10.858 11.932 -4.733 1.00 5.35 C ATOM 748 NH1 ARG A 53 -12.064 11.484 -4.426 1.00 2.21 N ATOM 749 NH2 ARG A 53 -10.699 13.205 -5.041 1.00 1.12 N ATOM 0 H ARG A 53 -6.564 5.354 -4.211 1.00 13.10 H new ATOM 0 HA ARG A 53 -7.480 6.900 -6.515 1.00 31.52 H new ATOM 0 HB2 ARG A 53 -9.388 7.002 -4.981 1.00 70.24 H new ATOM 0 HB3 ARG A 53 -8.340 7.458 -3.653 1.00 70.24 H new ATOM 0 HG2 ARG A 53 -7.711 9.535 -4.870 1.00 52.44 H new ATOM 0 HG3 ARG A 53 -8.771 9.079 -6.188 1.00 52.44 H new ATOM 0 HD2 ARG A 53 -10.729 9.223 -4.714 1.00 13.33 H new ATOM 0 HD3 ARG A 53 -9.701 9.561 -3.336 1.00 13.33 H new ATOM 0 HE ARG A 53 -8.912 11.523 -5.040 1.00 21.42 H new ATOM 0 HH11 ARG A 53 -12.200 10.498 -4.202 1.00 2.21 H new ATOM 0 HH12 ARG A 53 -12.858 12.124 -4.414 1.00 2.21 H new ATOM 0 HH21 ARG A 53 -9.776 13.557 -5.294 1.00 1.12 H new ATOM 0 HH22 ARG A 53 -11.499 13.837 -5.026 1.00 1.12 H new ATOM 763 N GLY A 54 -5.562 8.382 -6.088 1.00 63.21 N ATOM 764 CA GLY A 54 -4.371 9.153 -5.959 1.00 0.33 C ATOM 765 C GLY A 54 -3.768 9.359 -7.321 1.00 43.24 C ATOM 766 O GLY A 54 -4.279 8.815 -8.293 1.00 43.12 O ATOM 0 H GLY A 54 -6.028 8.490 -6.989 1.00 63.21 H new ATOM 0 HA2 GLY A 54 -4.594 10.115 -5.497 1.00 0.33 H new ATOM 0 HA3 GLY A 54 -3.662 8.643 -5.307 1.00 0.33 H new ATOM 770 N PRO A 55 -2.707 10.138 -7.454 1.00 21.01 N ATOM 771 CA PRO A 55 -2.036 10.344 -8.745 1.00 43.33 C ATOM 772 C PRO A 55 -1.332 9.065 -9.214 1.00 72.40 C ATOM 773 O PRO A 55 -1.067 8.879 -10.401 1.00 74.52 O ATOM 774 CB PRO A 55 -1.011 11.442 -8.446 1.00 32.03 C ATOM 775 CG PRO A 55 -1.468 12.050 -7.165 1.00 13.11 C ATOM 776 CD PRO A 55 -2.087 10.931 -6.394 1.00 35.15 C ATOM 0 HA PRO A 55 -2.732 10.611 -9.540 1.00 43.33 H new ATOM 0 HB2 PRO A 55 -0.006 11.030 -8.352 1.00 32.03 H new ATOM 0 HB3 PRO A 55 -0.979 12.182 -9.246 1.00 32.03 H new ATOM 0 HG2 PRO A 55 -0.633 12.489 -6.619 1.00 13.11 H new ATOM 0 HG3 PRO A 55 -2.187 12.849 -7.344 1.00 13.11 H new ATOM 0 HD2 PRO A 55 -1.344 10.359 -5.838 1.00 35.15 H new ATOM 0 HD3 PRO A 55 -2.820 11.290 -5.671 1.00 35.15 H new ATOM 784 N ASN A 56 -1.051 8.194 -8.271 1.00 60.32 N ATOM 785 CA ASN A 56 -0.433 6.906 -8.513 1.00 74.22 C ATOM 786 C ASN A 56 -1.494 5.780 -8.495 1.00 5.12 C ATOM 787 O ASN A 56 -1.165 4.615 -8.305 1.00 71.32 O ATOM 788 CB ASN A 56 0.647 6.645 -7.429 1.00 45.30 C ATOM 789 CG ASN A 56 0.110 6.715 -5.989 1.00 45.51 C ATOM 790 OD1 ASN A 56 -0.835 7.450 -5.689 1.00 71.21 O ATOM 791 ND2 ASN A 56 0.726 6.005 -5.092 1.00 25.11 N ATOM 0 H ASN A 56 -1.251 8.365 -7.286 1.00 60.32 H new ATOM 0 HA ASN A 56 0.035 6.914 -9.498 1.00 74.22 H new ATOM 0 HB2 ASN A 56 1.086 5.661 -7.596 1.00 45.30 H new ATOM 0 HB3 ASN A 56 1.448 7.375 -7.544 1.00 45.30 H new ATOM 0 HD21 ASN A 56 0.431 6.048 -4.117 1.00 25.11 H new ATOM 0 HD22 ASN A 56 1.505 5.404 -5.363 1.00 25.11 H new ATOM 798 N ALA A 57 -2.762 6.142 -8.725 1.00 42.45 N ATOM 799 CA ALA A 57 -3.875 5.182 -8.716 1.00 62.42 C ATOM 800 C ALA A 57 -3.689 4.094 -9.757 1.00 22.43 C ATOM 801 O ALA A 57 -3.187 4.350 -10.863 1.00 12.25 O ATOM 802 CB ALA A 57 -5.207 5.885 -8.930 1.00 34.25 C ATOM 0 H ALA A 57 -3.045 7.102 -8.921 1.00 42.45 H new ATOM 0 HA ALA A 57 -3.880 4.712 -7.733 1.00 62.42 H new ATOM 0 HB1 ALA A 57 -6.012 5.150 -8.919 1.00 34.25 H new ATOM 0 HB2 ALA A 57 -5.367 6.611 -8.133 1.00 34.25 H new ATOM 0 HB3 ALA A 57 -5.197 6.398 -9.892 1.00 34.25 H new ATOM 808 N GLY A 58 -4.062 2.884 -9.400 1.00 75.53 N ATOM 809 CA GLY A 58 -3.926 1.769 -10.308 1.00 63.23 C ATOM 810 C GLY A 58 -2.624 1.027 -10.106 1.00 74.21 C ATOM 811 O GLY A 58 -2.391 -0.013 -10.715 1.00 73.33 O ATOM 0 H GLY A 58 -4.460 2.649 -8.491 1.00 75.53 H new ATOM 0 HA2 GLY A 58 -4.760 1.082 -10.165 1.00 63.23 H new ATOM 0 HA3 GLY A 58 -3.982 2.129 -11.335 1.00 63.23 H new ATOM 815 N ALA A 59 -1.756 1.578 -9.279 1.00 12.32 N ATOM 816 CA ALA A 59 -0.493 0.941 -8.984 1.00 2.11 C ATOM 817 C ALA A 59 -0.687 -0.147 -7.957 1.00 14.31 C ATOM 818 O ALA A 59 -1.282 0.095 -6.893 1.00 2.42 O ATOM 819 CB ALA A 59 0.523 1.953 -8.489 1.00 24.01 C ATOM 0 H ALA A 59 -1.905 2.466 -8.801 1.00 12.32 H new ATOM 0 HA ALA A 59 -0.112 0.498 -9.904 1.00 2.11 H new ATOM 0 HB1 ALA A 59 1.465 1.448 -8.274 1.00 24.01 H new ATOM 0 HB2 ALA A 59 0.684 2.711 -9.255 1.00 24.01 H new ATOM 0 HB3 ALA A 59 0.151 2.428 -7.581 1.00 24.01 H new ATOM 825 N ARG A 60 -0.227 -1.330 -8.277 1.00 1.35 N ATOM 826 CA ARG A 60 -0.309 -2.451 -7.381 1.00 21.41 C ATOM 827 C ARG A 60 1.095 -2.881 -7.017 1.00 22.50 C ATOM 828 O ARG A 60 1.977 -2.905 -7.869 1.00 11.32 O ATOM 829 CB ARG A 60 -1.156 -3.625 -8.004 1.00 64.45 C ATOM 830 CG ARG A 60 -0.589 -4.286 -9.282 1.00 71.25 C ATOM 831 CD ARG A 60 0.460 -5.363 -8.979 1.00 74.13 C ATOM 832 NE ARG A 60 1.212 -5.763 -10.177 1.00 5.33 N ATOM 833 CZ ARG A 60 1.970 -6.875 -10.294 1.00 33.30 C ATOM 834 NH1 ARG A 60 1.860 -7.868 -9.408 1.00 53.42 N ATOM 835 NH2 ARG A 60 2.778 -7.017 -11.342 1.00 13.50 N ATOM 0 H ARG A 60 0.217 -1.542 -9.171 1.00 1.35 H new ATOM 0 HA ARG A 60 -0.833 -2.159 -6.471 1.00 21.41 H new ATOM 0 HB2 ARG A 60 -1.276 -4.398 -7.245 1.00 64.45 H new ATOM 0 HB3 ARG A 60 -2.152 -3.244 -8.231 1.00 64.45 H new ATOM 0 HG2 ARG A 60 -1.407 -4.731 -9.849 1.00 71.25 H new ATOM 0 HG3 ARG A 60 -0.143 -3.519 -9.915 1.00 71.25 H new ATOM 0 HD2 ARG A 60 1.153 -4.990 -8.225 1.00 74.13 H new ATOM 0 HD3 ARG A 60 -0.033 -6.237 -8.553 1.00 74.13 H new ATOM 0 HE ARG A 60 1.157 -5.148 -10.989 1.00 5.33 H new ATOM 0 HH11 ARG A 60 1.199 -7.791 -8.635 1.00 53.42 H new ATOM 0 HH12 ARG A 60 2.437 -8.704 -9.505 1.00 53.42 H new ATOM 0 HH21 ARG A 60 2.823 -6.288 -12.053 1.00 13.50 H new ATOM 0 HH22 ARG A 60 3.352 -7.855 -11.434 1.00 13.50 H new ATOM 849 N PHE A 61 1.317 -3.163 -5.773 1.00 52.34 N ATOM 850 CA PHE A 61 2.612 -3.616 -5.326 1.00 14.25 C ATOM 851 C PHE A 61 2.450 -4.854 -4.480 1.00 65.51 C ATOM 852 O PHE A 61 1.799 -4.809 -3.427 1.00 22.15 O ATOM 853 CB PHE A 61 3.353 -2.528 -4.536 1.00 34.51 C ATOM 854 CG PHE A 61 3.693 -1.288 -5.330 1.00 3.33 C ATOM 855 CD1 PHE A 61 4.843 -1.240 -6.100 1.00 51.32 C ATOM 856 CD2 PHE A 61 2.866 -0.174 -5.301 1.00 33.32 C ATOM 857 CE1 PHE A 61 5.161 -0.108 -6.826 1.00 55.43 C ATOM 858 CE2 PHE A 61 3.179 0.959 -6.021 1.00 23.21 C ATOM 859 CZ PHE A 61 4.327 0.992 -6.786 1.00 71.34 C ATOM 0 H PHE A 61 0.616 -3.089 -5.036 1.00 52.34 H new ATOM 0 HA PHE A 61 3.212 -3.848 -6.206 1.00 14.25 H new ATOM 0 HB2 PHE A 61 2.741 -2.239 -3.682 1.00 34.51 H new ATOM 0 HB3 PHE A 61 4.275 -2.952 -4.138 1.00 34.51 H new ATOM 0 HD1 PHE A 61 5.499 -2.097 -6.134 1.00 51.32 H new ATOM 0 HD2 PHE A 61 1.965 -0.195 -4.706 1.00 33.32 H new ATOM 0 HE1 PHE A 61 6.060 -0.084 -7.424 1.00 55.43 H new ATOM 0 HE2 PHE A 61 2.527 1.819 -5.986 1.00 23.21 H new ATOM 0 HZ PHE A 61 4.573 1.878 -7.353 1.00 71.34 H new ATOM 869 N LEU A 62 2.994 -5.955 -4.952 1.00 54.35 N ATOM 870 CA LEU A 62 2.929 -7.215 -4.240 1.00 54.45 C ATOM 871 C LEU A 62 4.052 -7.253 -3.219 1.00 50.03 C ATOM 872 O LEU A 62 5.227 -7.182 -3.575 1.00 53.43 O ATOM 873 CB LEU A 62 3.052 -8.398 -5.218 1.00 44.35 C ATOM 874 CG LEU A 62 2.889 -9.805 -4.613 1.00 41.42 C ATOM 875 CD1 LEU A 62 1.483 -10.006 -4.072 1.00 35.21 C ATOM 876 CD2 LEU A 62 3.221 -10.875 -5.639 1.00 42.42 C ATOM 0 H LEU A 62 3.494 -6.003 -5.840 1.00 54.35 H new ATOM 0 HA LEU A 62 1.967 -7.300 -3.735 1.00 54.45 H new ATOM 0 HB2 LEU A 62 2.304 -8.274 -6.001 1.00 44.35 H new ATOM 0 HB3 LEU A 62 4.029 -8.344 -5.699 1.00 44.35 H new ATOM 0 HG LEU A 62 3.589 -9.895 -3.783 1.00 41.42 H new ATOM 0 HD11 LEU A 62 1.395 -11.007 -3.651 1.00 35.21 H new ATOM 0 HD12 LEU A 62 1.283 -9.267 -3.296 1.00 35.21 H new ATOM 0 HD13 LEU A 62 0.762 -9.888 -4.881 1.00 35.21 H new ATOM 0 HD21 LEU A 62 3.099 -11.860 -5.189 1.00 42.42 H new ATOM 0 HD22 LEU A 62 2.551 -10.780 -6.493 1.00 42.42 H new ATOM 0 HD23 LEU A 62 4.252 -10.753 -5.971 1.00 42.42 H new ATOM 888 N LEU A 63 3.698 -7.347 -1.969 1.00 55.10 N ATOM 889 CA LEU A 63 4.672 -7.308 -0.913 1.00 34.30 C ATOM 890 C LEU A 63 5.217 -8.697 -0.627 1.00 65.53 C ATOM 891 O LEU A 63 4.450 -9.644 -0.379 1.00 71.05 O ATOM 892 CB LEU A 63 4.075 -6.694 0.354 1.00 3.50 C ATOM 893 CG LEU A 63 3.446 -5.301 0.212 1.00 14.34 C ATOM 894 CD1 LEU A 63 3.010 -4.772 1.565 1.00 10.43 C ATOM 895 CD2 LEU A 63 4.403 -4.332 -0.458 1.00 74.41 C ATOM 0 H LEU A 63 2.734 -7.452 -1.653 1.00 55.10 H new ATOM 0 HA LEU A 63 5.499 -6.679 -1.242 1.00 34.30 H new ATOM 0 HB2 LEU A 63 3.314 -7.374 0.736 1.00 3.50 H new ATOM 0 HB3 LEU A 63 4.860 -6.638 1.108 1.00 3.50 H new ATOM 0 HG LEU A 63 2.565 -5.394 -0.423 1.00 14.34 H new ATOM 0 HD11 LEU A 63 2.567 -3.784 1.444 1.00 10.43 H new ATOM 0 HD12 LEU A 63 2.275 -5.449 2.000 1.00 10.43 H new ATOM 0 HD13 LEU A 63 3.875 -4.703 2.225 1.00 10.43 H new ATOM 0 HD21 LEU A 63 3.929 -3.354 -0.545 1.00 74.41 H new ATOM 0 HD22 LEU A 63 5.310 -4.244 0.140 1.00 74.41 H new ATOM 0 HD23 LEU A 63 4.658 -4.701 -1.452 1.00 74.41 H new ATOM 907 N ASP A 64 6.531 -8.811 -0.686 1.00 31.41 N ATOM 908 CA ASP A 64 7.237 -10.076 -0.422 1.00 63.12 C ATOM 909 C ASP A 64 8.492 -9.806 0.428 1.00 23.53 C ATOM 910 O ASP A 64 9.207 -10.722 0.839 1.00 4.11 O ATOM 911 CB ASP A 64 7.627 -10.765 -1.764 1.00 3.35 C ATOM 912 CG ASP A 64 8.296 -12.135 -1.602 1.00 61.10 C ATOM 913 OD1 ASP A 64 7.587 -13.131 -1.326 1.00 52.44 O ATOM 914 OD2 ASP A 64 9.537 -12.249 -1.755 1.00 54.31 O ATOM 0 H ASP A 64 7.150 -8.034 -0.918 1.00 31.41 H new ATOM 0 HA ASP A 64 6.576 -10.744 0.129 1.00 63.12 H new ATOM 0 HB2 ASP A 64 6.730 -10.882 -2.372 1.00 3.35 H new ATOM 0 HB3 ASP A 64 8.301 -10.108 -2.313 1.00 3.35 H new ATOM 919 N GLN A 65 8.716 -8.551 0.747 1.00 52.13 N ATOM 920 CA GLN A 65 9.908 -8.163 1.467 1.00 32.23 C ATOM 921 C GLN A 65 9.580 -7.789 2.913 1.00 61.53 C ATOM 922 O GLN A 65 8.472 -7.333 3.203 1.00 40.04 O ATOM 923 CB GLN A 65 10.687 -7.011 0.756 1.00 53.43 C ATOM 924 CG GLN A 65 9.910 -5.713 0.500 1.00 15.33 C ATOM 925 CD GLN A 65 8.867 -5.818 -0.601 1.00 2.42 C ATOM 926 OE1 GLN A 65 7.711 -6.167 -0.356 1.00 13.45 O ATOM 927 NE2 GLN A 65 9.250 -5.489 -1.802 1.00 0.24 N ATOM 0 H GLN A 65 8.088 -7.781 0.519 1.00 52.13 H new ATOM 0 HA GLN A 65 10.566 -9.032 1.476 1.00 32.23 H new ATOM 0 HB2 GLN A 65 11.564 -6.770 1.358 1.00 53.43 H new ATOM 0 HB3 GLN A 65 11.050 -7.385 -0.201 1.00 53.43 H new ATOM 0 HG2 GLN A 65 9.418 -5.409 1.424 1.00 15.33 H new ATOM 0 HG3 GLN A 65 10.617 -4.925 0.241 1.00 15.33 H new ATOM 0 HE21 GLN A 65 10.215 -5.205 -1.970 1.00 0.24 H new ATOM 0 HE22 GLN A 65 8.585 -5.516 -2.575 1.00 0.24 H new ATOM 936 N PRO A 66 10.543 -8.000 3.850 1.00 32.04 N ATOM 937 CA PRO A 66 10.358 -7.706 5.285 1.00 13.21 C ATOM 938 C PRO A 66 10.171 -6.219 5.599 1.00 51.23 C ATOM 939 O PRO A 66 9.664 -5.859 6.659 1.00 61.13 O ATOM 940 CB PRO A 66 11.648 -8.227 5.934 1.00 11.31 C ATOM 941 CG PRO A 66 12.209 -9.177 4.944 1.00 52.21 C ATOM 942 CD PRO A 66 11.874 -8.597 3.608 1.00 35.22 C ATOM 0 HA PRO A 66 9.446 -8.174 5.657 1.00 13.21 H new ATOM 0 HB2 PRO A 66 12.344 -7.414 6.141 1.00 11.31 H new ATOM 0 HB3 PRO A 66 11.442 -8.720 6.884 1.00 11.31 H new ATOM 0 HG2 PRO A 66 13.287 -9.283 5.068 1.00 52.21 H new ATOM 0 HG3 PRO A 66 11.775 -10.170 5.062 1.00 52.21 H new ATOM 0 HD2 PRO A 66 12.604 -7.851 3.294 1.00 35.22 H new ATOM 0 HD3 PRO A 66 11.843 -9.359 2.830 1.00 35.22 H new ATOM 950 N THR A 67 10.596 -5.365 4.712 1.00 41.03 N ATOM 951 CA THR A 67 10.427 -3.944 4.891 1.00 55.41 C ATOM 952 C THR A 67 10.191 -3.269 3.547 1.00 34.52 C ATOM 953 O THR A 67 10.992 -3.396 2.617 1.00 21.43 O ATOM 954 CB THR A 67 11.634 -3.293 5.615 1.00 22.23 C ATOM 955 OG1 THR A 67 11.752 -3.831 6.948 1.00 34.24 O ATOM 956 CG2 THR A 67 11.476 -1.774 5.696 1.00 51.33 C ATOM 0 H THR A 67 11.068 -5.628 3.847 1.00 41.03 H new ATOM 0 HA THR A 67 9.554 -3.800 5.528 1.00 55.41 H new ATOM 0 HB THR A 67 12.533 -3.518 5.041 1.00 22.23 H new ATOM 0 HG1 THR A 67 12.517 -3.418 7.401 1.00 34.24 H new ATOM 0 HG21 THR A 67 12.337 -1.345 6.209 1.00 51.33 H new ATOM 0 HG22 THR A 67 11.410 -1.361 4.689 1.00 51.33 H new ATOM 0 HG23 THR A 67 10.568 -1.532 6.248 1.00 51.33 H new ATOM 964 N THR A 68 9.099 -2.597 3.446 1.00 43.23 N ATOM 965 CA THR A 68 8.737 -1.901 2.264 1.00 73.12 C ATOM 966 C THR A 68 8.507 -0.432 2.638 1.00 15.33 C ATOM 967 O THR A 68 7.591 -0.133 3.374 1.00 73.24 O ATOM 968 CB THR A 68 7.422 -2.510 1.755 1.00 14.20 C ATOM 969 OG1 THR A 68 7.520 -3.943 1.801 1.00 61.24 O ATOM 970 CG2 THR A 68 7.161 -2.088 0.347 1.00 53.22 C ATOM 0 H THR A 68 8.418 -2.514 4.200 1.00 43.23 H new ATOM 0 HA THR A 68 9.509 -1.974 1.498 1.00 73.12 H new ATOM 0 HB THR A 68 6.605 -2.163 2.387 1.00 14.20 H new ATOM 0 HG1 THR A 68 6.631 -4.327 1.954 1.00 61.24 H new ATOM 0 HG21 THR A 68 6.225 -2.529 0.003 1.00 53.22 H new ATOM 0 HG22 THR A 68 7.089 -1.001 0.300 1.00 53.22 H new ATOM 0 HG23 THR A 68 7.978 -2.425 -0.291 1.00 53.22 H new ATOM 978 N THR A 69 9.330 0.470 2.166 1.00 61.01 N ATOM 979 CA THR A 69 9.174 1.856 2.540 1.00 13.21 C ATOM 980 C THR A 69 8.328 2.615 1.505 1.00 44.42 C ATOM 981 O THR A 69 8.464 2.392 0.277 1.00 20.53 O ATOM 982 CB THR A 69 10.551 2.519 2.741 1.00 71.10 C ATOM 983 OG1 THR A 69 11.346 1.670 3.596 1.00 10.04 O ATOM 984 CG2 THR A 69 10.404 3.874 3.418 1.00 51.52 C ATOM 0 H THR A 69 10.105 0.276 1.531 1.00 61.01 H new ATOM 0 HA THR A 69 8.640 1.899 3.489 1.00 13.21 H new ATOM 0 HB THR A 69 11.022 2.656 1.768 1.00 71.10 H new ATOM 0 HG1 THR A 69 12.227 2.077 3.733 1.00 10.04 H new ATOM 0 HG21 THR A 69 11.388 4.324 3.550 1.00 51.52 H new ATOM 0 HG22 THR A 69 9.788 4.525 2.798 1.00 51.52 H new ATOM 0 HG23 THR A 69 9.931 3.745 4.391 1.00 51.52 H new ATOM 992 N ALA A 70 7.444 3.470 2.001 1.00 24.20 N ATOM 993 CA ALA A 70 6.559 4.236 1.177 1.00 32.23 C ATOM 994 C ALA A 70 6.799 5.726 1.366 1.00 64.11 C ATOM 995 O ALA A 70 6.945 6.233 2.512 1.00 32.54 O ATOM 996 CB ALA A 70 5.115 3.884 1.491 1.00 22.14 C ATOM 0 H ALA A 70 7.331 3.643 3.000 1.00 24.20 H new ATOM 0 HA ALA A 70 6.760 3.991 0.134 1.00 32.23 H new ATOM 0 HB1 ALA A 70 4.451 4.473 0.858 1.00 22.14 H new ATOM 0 HB2 ALA A 70 4.950 2.823 1.302 1.00 22.14 H new ATOM 0 HB3 ALA A 70 4.907 4.103 2.538 1.00 22.14 H new ATOM 1002 N GLY A 71 6.835 6.399 0.259 1.00 31.43 N ATOM 1003 CA GLY A 71 7.078 7.801 0.181 1.00 10.42 C ATOM 1004 C GLY A 71 7.765 8.020 -1.116 1.00 43.41 C ATOM 1005 O GLY A 71 7.714 7.129 -1.969 1.00 53.31 O ATOM 0 H GLY A 71 6.689 5.966 -0.653 1.00 31.43 H new ATOM 0 HA2 GLY A 71 6.145 8.363 0.229 1.00 10.42 H new ATOM 0 HA3 GLY A 71 7.696 8.138 1.013 1.00 10.42 H new ATOM 1009 N ARG A 72 8.374 9.140 -1.328 1.00 24.25 N ATOM 1010 CA ARG A 72 9.140 9.262 -2.524 1.00 53.30 C ATOM 1011 C ARG A 72 10.579 9.521 -2.169 1.00 23.12 C ATOM 1012 O ARG A 72 10.913 10.489 -1.460 1.00 2.15 O ATOM 1013 CB ARG A 72 8.584 10.270 -3.548 1.00 62.21 C ATOM 1014 CG ARG A 72 8.818 11.728 -3.253 1.00 64.35 C ATOM 1015 CD ARG A 72 8.300 12.567 -4.394 1.00 1.30 C ATOM 1016 NE ARG A 72 8.758 13.948 -4.334 1.00 25.33 N ATOM 1017 CZ ARG A 72 9.031 14.690 -5.413 1.00 54.21 C ATOM 1018 NH1 ARG A 72 8.878 14.179 -6.635 1.00 24.25 N ATOM 1019 NH2 ARG A 72 9.466 15.934 -5.273 1.00 41.02 N ATOM 0 H ARG A 72 8.360 9.955 -0.715 1.00 24.25 H new ATOM 0 HA ARG A 72 9.065 8.311 -3.051 1.00 53.30 H new ATOM 0 HB2 ARG A 72 9.022 10.044 -4.520 1.00 62.21 H new ATOM 0 HB3 ARG A 72 7.510 10.108 -3.637 1.00 62.21 H new ATOM 0 HG2 ARG A 72 8.316 12.007 -2.327 1.00 64.35 H new ATOM 0 HG3 ARG A 72 9.882 11.913 -3.107 1.00 64.35 H new ATOM 0 HD2 ARG A 72 8.618 12.124 -5.338 1.00 1.30 H new ATOM 0 HD3 ARG A 72 7.210 12.550 -4.386 1.00 1.30 H new ATOM 0 HE ARG A 72 8.878 14.375 -3.415 1.00 25.33 H new ATOM 0 HH11 ARG A 72 8.552 13.219 -6.749 1.00 24.25 H new ATOM 0 HH12 ARG A 72 9.087 14.748 -7.455 1.00 24.25 H new ATOM 0 HH21 ARG A 72 9.593 16.328 -4.341 1.00 41.02 H new ATOM 0 HH22 ARG A 72 9.673 16.498 -6.097 1.00 41.02 H new ATOM 1033 N HIS A 73 11.401 8.644 -2.618 1.00 0.21 N ATOM 1034 CA HIS A 73 12.807 8.639 -2.375 1.00 74.01 C ATOM 1035 C HIS A 73 13.396 7.635 -3.348 1.00 52.33 C ATOM 1036 O HIS A 73 12.636 6.878 -3.935 1.00 32.14 O ATOM 1037 CB HIS A 73 13.125 8.291 -0.876 1.00 31.34 C ATOM 1038 CG HIS A 73 12.624 6.960 -0.355 1.00 74.21 C ATOM 1039 ND1 HIS A 73 13.447 5.972 0.106 1.00 10.44 N ATOM 1040 CD2 HIS A 73 11.363 6.511 -0.143 1.00 24.12 C ATOM 1041 CE1 HIS A 73 12.693 4.984 0.583 1.00 2.01 C ATOM 1042 NE2 HIS A 73 11.416 5.258 0.453 1.00 31.51 N ATOM 0 H HIS A 73 11.098 7.863 -3.199 1.00 0.21 H new ATOM 0 HA HIS A 73 13.248 9.623 -2.534 1.00 74.01 H new ATOM 0 HB2 HIS A 73 14.207 8.320 -0.744 1.00 31.34 H new ATOM 0 HB3 HIS A 73 12.706 9.079 -0.250 1.00 31.34 H new ATOM 0 HD1 HIS A 73 14.467 5.988 0.088 1.00 10.44 H new ATOM 0 HD2 HIS A 73 10.459 7.044 -0.398 1.00 24.12 H new ATOM 0 HE1 HIS A 73 13.081 4.076 1.020 1.00 2.01 H new ATOM 1050 N PRO A 74 14.704 7.641 -3.598 1.00 4.21 N ATOM 1051 CA PRO A 74 15.337 6.713 -4.554 1.00 70.31 C ATOM 1052 C PRO A 74 15.002 5.232 -4.299 1.00 23.23 C ATOM 1053 O PRO A 74 14.632 4.512 -5.214 1.00 11.21 O ATOM 1054 CB PRO A 74 16.823 6.980 -4.367 1.00 50.52 C ATOM 1055 CG PRO A 74 16.875 8.394 -3.923 1.00 60.13 C ATOM 1056 CD PRO A 74 15.688 8.579 -3.031 1.00 43.53 C ATOM 0 HA PRO A 74 14.979 6.883 -5.569 1.00 70.31 H new ATOM 0 HB2 PRO A 74 17.259 6.311 -3.625 1.00 50.52 H new ATOM 0 HB3 PRO A 74 17.376 6.831 -5.294 1.00 50.52 H new ATOM 0 HG2 PRO A 74 17.802 8.604 -3.390 1.00 60.13 H new ATOM 0 HG3 PRO A 74 16.836 9.074 -4.774 1.00 60.13 H new ATOM 0 HD2 PRO A 74 15.921 8.342 -1.993 1.00 43.53 H new ATOM 0 HD3 PRO A 74 15.325 9.606 -3.049 1.00 43.53 H new ATOM 1064 N GLU A 75 15.083 4.796 -3.062 1.00 3.33 N ATOM 1065 CA GLU A 75 14.804 3.412 -2.729 1.00 5.43 C ATOM 1066 C GLU A 75 13.335 3.179 -2.348 1.00 71.23 C ATOM 1067 O GLU A 75 13.018 2.195 -1.675 1.00 72.33 O ATOM 1068 CB GLU A 75 15.782 2.816 -1.668 1.00 34.32 C ATOM 1069 CG GLU A 75 15.856 3.521 -0.314 1.00 63.22 C ATOM 1070 CD GLU A 75 16.595 4.833 -0.352 1.00 42.03 C ATOM 1071 OE1 GLU A 75 15.998 5.852 -0.746 1.00 60.31 O ATOM 1072 OE2 GLU A 75 17.788 4.869 0.009 1.00 24.12 O ATOM 0 H GLU A 75 15.340 5.380 -2.266 1.00 3.33 H new ATOM 0 HA GLU A 75 14.986 2.857 -3.650 1.00 5.43 H new ATOM 0 HB2 GLU A 75 15.500 1.778 -1.494 1.00 34.32 H new ATOM 0 HB3 GLU A 75 16.783 2.806 -2.099 1.00 34.32 H new ATOM 0 HG2 GLU A 75 14.844 3.695 0.050 1.00 63.22 H new ATOM 0 HG3 GLU A 75 16.344 2.861 0.403 1.00 63.22 H new ATOM 1079 N SER A 76 12.444 4.089 -2.756 1.00 43.35 N ATOM 1080 CA SER A 76 11.012 3.934 -2.488 1.00 52.24 C ATOM 1081 C SER A 76 10.520 2.640 -3.105 1.00 64.45 C ATOM 1082 O SER A 76 10.619 2.449 -4.335 1.00 54.31 O ATOM 1083 CB SER A 76 10.225 5.107 -3.082 1.00 20.12 C ATOM 1084 OG SER A 76 10.447 5.192 -4.481 1.00 0.23 O ATOM 0 H SER A 76 12.688 4.936 -3.270 1.00 43.35 H new ATOM 0 HA SER A 76 10.858 3.915 -1.409 1.00 52.24 H new ATOM 0 HB2 SER A 76 9.161 4.978 -2.883 1.00 20.12 H new ATOM 0 HB3 SER A 76 10.528 6.037 -2.602 1.00 20.12 H new ATOM 0 HG SER A 76 11.211 5.781 -4.656 1.00 0.23 H new ATOM 1090 N ASP A 77 10.076 1.733 -2.285 1.00 32.14 N ATOM 1091 CA ASP A 77 9.552 0.488 -2.792 1.00 22.12 C ATOM 1092 C ASP A 77 8.142 0.751 -3.298 1.00 44.53 C ATOM 1093 O ASP A 77 7.730 0.257 -4.340 1.00 70.34 O ATOM 1094 CB ASP A 77 9.557 -0.585 -1.710 1.00 20.03 C ATOM 1095 CG ASP A 77 9.521 -1.993 -2.272 1.00 61.31 C ATOM 1096 OD1 ASP A 77 8.470 -2.445 -2.737 1.00 35.05 O ATOM 1097 OD2 ASP A 77 10.580 -2.677 -2.230 1.00 15.22 O ATOM 0 H ASP A 77 10.064 1.825 -1.269 1.00 32.14 H new ATOM 0 HA ASP A 77 10.177 0.118 -3.605 1.00 22.12 H new ATOM 0 HB2 ASP A 77 10.449 -0.468 -1.094 1.00 20.03 H new ATOM 0 HB3 ASP A 77 8.697 -0.438 -1.057 1.00 20.03 H new ATOM 1102 N ILE A 78 7.428 1.580 -2.558 1.00 4.54 N ATOM 1103 CA ILE A 78 6.085 1.979 -2.921 1.00 32.54 C ATOM 1104 C ILE A 78 6.140 3.404 -3.441 1.00 74.43 C ATOM 1105 O ILE A 78 6.596 4.302 -2.735 1.00 50.45 O ATOM 1106 CB ILE A 78 5.113 1.938 -1.702 1.00 10.31 C ATOM 1107 CG1 ILE A 78 5.150 0.574 -1.005 1.00 52.23 C ATOM 1108 CG2 ILE A 78 3.682 2.283 -2.124 1.00 51.13 C ATOM 1109 CD1 ILE A 78 4.817 -0.598 -1.904 1.00 71.24 C ATOM 0 H ILE A 78 7.765 1.994 -1.689 1.00 4.54 H new ATOM 0 HA ILE A 78 5.713 1.284 -3.674 1.00 32.54 H new ATOM 0 HB ILE A 78 5.452 2.692 -0.991 1.00 10.31 H new ATOM 0 HG12 ILE A 78 6.144 0.422 -0.584 1.00 52.23 H new ATOM 0 HG13 ILE A 78 4.449 0.587 -0.171 1.00 52.23 H new ATOM 0 HG21 ILE A 78 3.027 2.246 -1.253 1.00 51.13 H new ATOM 0 HG22 ILE A 78 3.661 3.285 -2.552 1.00 51.13 H new ATOM 0 HG23 ILE A 78 3.338 1.563 -2.867 1.00 51.13 H new ATOM 0 HD11 ILE A 78 4.867 -1.523 -1.329 1.00 71.24 H new ATOM 0 HD12 ILE A 78 3.811 -0.474 -2.306 1.00 71.24 H new ATOM 0 HD13 ILE A 78 5.533 -0.642 -2.725 1.00 71.24 H new ATOM 1121 N PHE A 79 5.700 3.605 -4.655 1.00 1.44 N ATOM 1122 CA PHE A 79 5.701 4.924 -5.247 1.00 62.23 C ATOM 1123 C PHE A 79 4.406 5.653 -4.903 1.00 11.31 C ATOM 1124 O PHE A 79 3.312 5.140 -5.152 1.00 73.35 O ATOM 1125 CB PHE A 79 5.885 4.837 -6.773 1.00 1.43 C ATOM 1126 CG PHE A 79 5.874 6.176 -7.462 1.00 33.32 C ATOM 1127 CD1 PHE A 79 6.996 6.987 -7.442 1.00 21.12 C ATOM 1128 CD2 PHE A 79 4.736 6.631 -8.114 1.00 3.24 C ATOM 1129 CE1 PHE A 79 6.987 8.219 -8.059 1.00 40.13 C ATOM 1130 CE2 PHE A 79 4.721 7.862 -8.728 1.00 42.31 C ATOM 1131 CZ PHE A 79 5.847 8.657 -8.702 1.00 73.51 C ATOM 0 H PHE A 79 5.333 2.870 -5.259 1.00 1.44 H new ATOM 0 HA PHE A 79 6.539 5.488 -4.838 1.00 62.23 H new ATOM 0 HB2 PHE A 79 6.829 4.335 -6.988 1.00 1.43 H new ATOM 0 HB3 PHE A 79 5.092 4.217 -7.191 1.00 1.43 H new ATOM 0 HD1 PHE A 79 7.889 6.650 -6.937 1.00 21.12 H new ATOM 0 HD2 PHE A 79 3.852 6.011 -8.140 1.00 3.24 H new ATOM 0 HE1 PHE A 79 7.870 8.841 -8.039 1.00 40.13 H new ATOM 0 HE2 PHE A 79 3.828 8.205 -9.230 1.00 42.31 H new ATOM 0 HZ PHE A 79 5.837 9.623 -9.185 1.00 73.51 H new ATOM 1141 N LEU A 80 4.544 6.825 -4.321 1.00 31.12 N ATOM 1142 CA LEU A 80 3.421 7.670 -3.934 1.00 35.23 C ATOM 1143 C LEU A 80 3.635 9.045 -4.525 1.00 4.54 C ATOM 1144 O LEU A 80 4.774 9.527 -4.585 1.00 31.41 O ATOM 1145 CB LEU A 80 3.348 7.812 -2.403 1.00 43.11 C ATOM 1146 CG LEU A 80 3.248 6.530 -1.569 1.00 23.43 C ATOM 1147 CD1 LEU A 80 3.257 6.880 -0.094 1.00 73.14 C ATOM 1148 CD2 LEU A 80 1.990 5.749 -1.907 1.00 34.01 C ATOM 0 H LEU A 80 5.453 7.230 -4.097 1.00 31.12 H new ATOM 0 HA LEU A 80 2.497 7.219 -4.296 1.00 35.23 H new ATOM 0 HB2 LEU A 80 4.233 8.356 -2.075 1.00 43.11 H new ATOM 0 HB3 LEU A 80 2.485 8.434 -2.165 1.00 43.11 H new ATOM 0 HG LEU A 80 4.108 5.902 -1.803 1.00 23.43 H new ATOM 0 HD11 LEU A 80 3.186 5.967 0.497 1.00 73.14 H new ATOM 0 HD12 LEU A 80 4.183 7.400 0.151 1.00 73.14 H new ATOM 0 HD13 LEU A 80 2.408 7.526 0.132 1.00 73.14 H new ATOM 0 HD21 LEU A 80 1.948 4.845 -1.299 1.00 34.01 H new ATOM 0 HD22 LEU A 80 1.114 6.364 -1.703 1.00 34.01 H new ATOM 0 HD23 LEU A 80 2.004 5.476 -2.962 1.00 34.01 H new ATOM 1160 N ASP A 81 2.585 9.661 -4.992 1.00 3.22 N ATOM 1161 CA ASP A 81 2.699 10.996 -5.531 1.00 74.11 C ATOM 1162 C ASP A 81 1.635 11.878 -4.919 1.00 32.33 C ATOM 1163 O ASP A 81 0.514 11.430 -4.682 1.00 74.13 O ATOM 1164 CB ASP A 81 2.627 11.012 -7.062 1.00 4.14 C ATOM 1165 CG ASP A 81 2.918 12.391 -7.633 1.00 40.15 C ATOM 1166 OD1 ASP A 81 4.105 12.789 -7.672 1.00 63.43 O ATOM 1167 OD2 ASP A 81 1.981 13.104 -8.032 1.00 33.31 O ATOM 0 H ASP A 81 1.644 9.267 -5.013 1.00 3.22 H new ATOM 0 HA ASP A 81 3.682 11.387 -5.270 1.00 74.11 H new ATOM 0 HB2 ASP A 81 3.341 10.295 -7.466 1.00 4.14 H new ATOM 0 HB3 ASP A 81 1.636 10.689 -7.381 1.00 4.14 H new ATOM 1172 N ASP A 82 2.002 13.090 -4.629 1.00 22.34 N ATOM 1173 CA ASP A 82 1.147 14.083 -4.006 1.00 32.02 C ATOM 1174 C ASP A 82 1.815 15.427 -4.234 1.00 73.41 C ATOM 1175 O ASP A 82 2.912 15.470 -4.831 1.00 20.32 O ATOM 1176 CB ASP A 82 1.002 13.799 -2.477 1.00 75.33 C ATOM 1177 CG ASP A 82 0.061 14.760 -1.763 1.00 24.43 C ATOM 1178 OD1 ASP A 82 -1.167 14.599 -1.896 1.00 65.11 O ATOM 1179 OD2 ASP A 82 0.549 15.725 -1.127 1.00 3.04 O ATOM 0 H ASP A 82 2.941 13.438 -4.824 1.00 22.34 H new ATOM 0 HA ASP A 82 0.145 14.063 -4.434 1.00 32.02 H new ATOM 0 HB2 ASP A 82 0.641 12.780 -2.338 1.00 75.33 H new ATOM 0 HB3 ASP A 82 1.986 13.854 -2.011 1.00 75.33 H new ATOM 1184 N VAL A 83 1.196 16.494 -3.780 1.00 44.00 N ATOM 1185 CA VAL A 83 1.740 17.823 -3.890 1.00 20.05 C ATOM 1186 C VAL A 83 2.964 17.907 -2.981 1.00 3.42 C ATOM 1187 O VAL A 83 3.950 18.587 -3.277 1.00 32.55 O ATOM 1188 CB VAL A 83 0.700 18.890 -3.451 1.00 13.31 C ATOM 1189 CG1 VAL A 83 1.211 20.300 -3.719 1.00 23.01 C ATOM 1190 CG2 VAL A 83 -0.638 18.660 -4.140 1.00 33.10 C ATOM 0 H VAL A 83 0.287 16.459 -3.318 1.00 44.00 H new ATOM 0 HA VAL A 83 2.007 18.020 -4.928 1.00 20.05 H new ATOM 0 HB VAL A 83 0.551 18.787 -2.376 1.00 13.31 H new ATOM 0 HG11 VAL A 83 0.462 21.025 -3.402 1.00 23.01 H new ATOM 0 HG12 VAL A 83 2.134 20.464 -3.163 1.00 23.01 H new ATOM 0 HG13 VAL A 83 1.404 20.421 -4.785 1.00 23.01 H new ATOM 0 HG21 VAL A 83 -1.349 19.420 -3.816 1.00 33.10 H new ATOM 0 HG22 VAL A 83 -0.507 18.723 -5.220 1.00 33.10 H new ATOM 0 HG23 VAL A 83 -1.017 17.672 -3.877 1.00 33.10 H new ATOM 1200 N THR A 84 2.901 17.228 -1.863 1.00 43.12 N ATOM 1201 CA THR A 84 4.016 17.151 -0.972 1.00 45.03 C ATOM 1202 C THR A 84 4.105 15.749 -0.368 1.00 22.23 C ATOM 1203 O THR A 84 3.363 15.391 0.549 1.00 43.12 O ATOM 1204 CB THR A 84 3.948 18.244 0.119 1.00 12.45 C ATOM 1205 OG1 THR A 84 3.825 19.529 -0.536 1.00 4.41 O ATOM 1206 CG2 THR A 84 5.222 18.250 0.960 1.00 20.55 C ATOM 0 H THR A 84 2.075 16.717 -1.552 1.00 43.12 H new ATOM 0 HA THR A 84 4.928 17.337 -1.540 1.00 45.03 H new ATOM 0 HB THR A 84 3.097 18.046 0.770 1.00 12.45 H new ATOM 0 HG1 THR A 84 3.779 20.237 0.140 1.00 4.41 H new ATOM 0 HG21 THR A 84 5.152 19.027 1.721 1.00 20.55 H new ATOM 0 HG22 THR A 84 5.344 17.280 1.442 1.00 20.55 H new ATOM 0 HG23 THR A 84 6.081 18.447 0.318 1.00 20.55 H new ATOM 1214 N VAL A 85 4.982 14.958 -0.925 1.00 64.43 N ATOM 1215 CA VAL A 85 5.176 13.608 -0.488 1.00 2.31 C ATOM 1216 C VAL A 85 6.370 13.596 0.422 1.00 14.13 C ATOM 1217 O VAL A 85 7.376 14.245 0.131 1.00 0.33 O ATOM 1218 CB VAL A 85 5.499 12.658 -1.673 1.00 54.24 C ATOM 1219 CG1 VAL A 85 5.402 11.196 -1.260 1.00 5.30 C ATOM 1220 CG2 VAL A 85 4.639 12.938 -2.876 1.00 54.12 C ATOM 0 H VAL A 85 5.584 15.237 -1.699 1.00 64.43 H new ATOM 0 HA VAL A 85 4.262 13.268 -0.001 1.00 2.31 H new ATOM 0 HB VAL A 85 6.531 12.857 -1.961 1.00 54.24 H new ATOM 0 HG11 VAL A 85 5.634 10.560 -2.114 1.00 5.30 H new ATOM 0 HG12 VAL A 85 6.111 10.997 -0.456 1.00 5.30 H new ATOM 0 HG13 VAL A 85 4.391 10.982 -0.913 1.00 5.30 H new ATOM 0 HG21 VAL A 85 4.901 12.249 -3.679 1.00 54.12 H new ATOM 0 HG22 VAL A 85 3.590 12.805 -2.612 1.00 54.12 H new ATOM 0 HG23 VAL A 85 4.802 13.963 -3.209 1.00 54.12 H new ATOM 1230 N SER A 86 6.281 12.886 1.502 1.00 24.41 N ATOM 1231 CA SER A 86 7.401 12.757 2.376 1.00 31.30 C ATOM 1232 C SER A 86 8.407 11.837 1.719 1.00 62.01 C ATOM 1233 O SER A 86 8.036 10.993 0.879 1.00 4.33 O ATOM 1234 CB SER A 86 6.959 12.189 3.727 1.00 30.34 C ATOM 1235 OG SER A 86 8.020 12.196 4.676 1.00 21.42 O ATOM 0 H SER A 86 5.443 12.387 1.799 1.00 24.41 H new ATOM 0 HA SER A 86 7.851 13.733 2.557 1.00 31.30 H new ATOM 0 HB2 SER A 86 6.124 12.774 4.111 1.00 30.34 H new ATOM 0 HB3 SER A 86 6.599 11.169 3.592 1.00 30.34 H new ATOM 0 HG SER A 86 8.131 11.297 5.049 1.00 21.42 H new ATOM 1241 N ARG A 87 9.665 12.044 2.022 1.00 14.23 N ATOM 1242 CA ARG A 87 10.689 11.156 1.557 1.00 65.34 C ATOM 1243 C ARG A 87 10.447 9.776 2.111 1.00 33.42 C ATOM 1244 O ARG A 87 10.439 8.813 1.392 1.00 73.22 O ATOM 1245 CB ARG A 87 12.094 11.685 1.857 1.00 60.04 C ATOM 1246 CG ARG A 87 12.247 12.534 3.127 1.00 32.42 C ATOM 1247 CD ARG A 87 13.702 12.865 3.309 1.00 40.22 C ATOM 1248 NE ARG A 87 14.001 14.006 4.205 1.00 4.24 N ATOM 1249 CZ ARG A 87 15.260 14.247 4.541 1.00 15.04 C ATOM 1250 NH1 ARG A 87 16.021 13.238 4.902 1.00 24.23 N ATOM 1251 NH2 ARG A 87 15.714 15.479 4.670 1.00 13.14 N ATOM 0 H ARG A 87 10.000 12.822 2.590 1.00 14.23 H new ATOM 0 HA ARG A 87 10.637 11.096 0.470 1.00 65.34 H new ATOM 0 HB2 ARG A 87 12.771 10.834 1.931 1.00 60.04 H new ATOM 0 HB3 ARG A 87 12.424 12.281 1.006 1.00 60.04 H new ATOM 0 HG2 ARG A 87 11.658 13.448 3.045 1.00 32.42 H new ATOM 0 HG3 ARG A 87 11.871 11.990 3.994 1.00 32.42 H new ATOM 0 HD2 ARG A 87 14.209 11.982 3.697 1.00 40.22 H new ATOM 0 HD3 ARG A 87 14.132 13.075 2.330 1.00 40.22 H new ATOM 0 HE ARG A 87 13.249 14.598 4.558 1.00 4.24 H new ATOM 0 HH11 ARG A 87 15.639 12.292 4.920 1.00 24.23 H new ATOM 0 HH12 ARG A 87 16.993 13.401 5.165 1.00 24.23 H new ATOM 0 HH21 ARG A 87 15.092 16.271 4.510 1.00 13.14 H new ATOM 0 HH22 ARG A 87 16.687 15.639 4.930 1.00 13.14 H new ATOM 1265 N ARG A 88 10.164 9.719 3.368 1.00 2.32 N ATOM 1266 CA ARG A 88 9.760 8.509 4.011 1.00 41.03 C ATOM 1267 C ARG A 88 8.590 8.836 4.887 1.00 53.13 C ATOM 1268 O ARG A 88 8.700 9.652 5.804 1.00 61.41 O ATOM 1269 CB ARG A 88 10.902 7.852 4.797 1.00 15.52 C ATOM 1270 CG ARG A 88 11.969 7.207 3.911 1.00 75.14 C ATOM 1271 CD ARG A 88 13.112 6.617 4.725 1.00 14.13 C ATOM 1272 NE ARG A 88 12.669 5.620 5.722 1.00 64.51 N ATOM 1273 CZ ARG A 88 12.854 5.741 7.047 1.00 21.13 C ATOM 1274 NH1 ARG A 88 13.354 6.877 7.555 1.00 45.53 N ATOM 1275 NH2 ARG A 88 12.514 4.742 7.860 1.00 22.44 N ATOM 0 H ARG A 88 10.207 10.525 3.991 1.00 2.32 H new ATOM 0 HA ARG A 88 9.475 7.771 3.261 1.00 41.03 H new ATOM 0 HB2 ARG A 88 11.374 8.603 5.430 1.00 15.52 H new ATOM 0 HB3 ARG A 88 10.485 7.093 5.459 1.00 15.52 H new ATOM 0 HG2 ARG A 88 11.512 6.423 3.308 1.00 75.14 H new ATOM 0 HG3 ARG A 88 12.364 7.952 3.220 1.00 75.14 H new ATOM 0 HD2 ARG A 88 13.827 6.150 4.048 1.00 14.13 H new ATOM 0 HD3 ARG A 88 13.638 7.423 5.237 1.00 14.13 H new ATOM 0 HE ARG A 88 12.192 4.785 5.382 1.00 64.51 H new ATOM 0 HH11 ARG A 88 13.594 7.651 6.935 1.00 45.53 H new ATOM 0 HH12 ARG A 88 13.494 6.967 8.561 1.00 45.53 H new ATOM 0 HH21 ARG A 88 12.114 3.886 7.476 1.00 22.44 H new ATOM 0 HH22 ARG A 88 12.654 4.833 8.866 1.00 22.44 H new ATOM 1289 N HIS A 89 7.459 8.299 4.544 1.00 33.14 N ATOM 1290 CA HIS A 89 6.249 8.560 5.282 1.00 65.14 C ATOM 1291 C HIS A 89 5.995 7.399 6.227 1.00 44.35 C ATOM 1292 O HIS A 89 5.852 7.574 7.436 1.00 33.35 O ATOM 1293 CB HIS A 89 5.078 8.752 4.283 1.00 62.03 C ATOM 1294 CG HIS A 89 3.744 9.109 4.890 1.00 63.33 C ATOM 1295 ND1 HIS A 89 3.197 10.370 4.762 1.00 32.01 N ATOM 1296 CD2 HIS A 89 2.865 8.325 5.536 1.00 74.24 C ATOM 1297 CE1 HIS A 89 2.011 10.280 5.326 1.00 63.33 C ATOM 1298 NE2 HIS A 89 1.778 9.073 5.802 1.00 31.14 N ATOM 0 H HIS A 89 7.343 7.670 3.750 1.00 33.14 H new ATOM 0 HA HIS A 89 6.341 9.471 5.874 1.00 65.14 H new ATOM 0 HB2 HIS A 89 5.354 9.534 3.576 1.00 62.03 H new ATOM 0 HB3 HIS A 89 4.960 7.832 3.711 1.00 62.03 H new ATOM 0 HD1 HIS A 89 3.619 11.190 4.327 1.00 32.01 H new ATOM 0 HD2 HIS A 89 3.005 7.286 5.794 1.00 74.24 H new ATOM 0 HE1 HIS A 89 1.311 11.099 5.391 1.00 63.33 H new ATOM 1306 N ALA A 90 6.011 6.209 5.684 1.00 20.15 N ATOM 1307 CA ALA A 90 5.761 5.023 6.464 1.00 55.00 C ATOM 1308 C ALA A 90 6.443 3.853 5.817 1.00 41.14 C ATOM 1309 O ALA A 90 6.853 3.936 4.654 1.00 62.51 O ATOM 1310 CB ALA A 90 4.259 4.761 6.570 1.00 33.53 C ATOM 0 H ALA A 90 6.196 6.034 4.696 1.00 20.15 H new ATOM 0 HA ALA A 90 6.156 5.166 7.470 1.00 55.00 H new ATOM 0 HB1 ALA A 90 4.087 3.862 7.162 1.00 33.53 H new ATOM 0 HB2 ALA A 90 3.775 5.611 7.051 1.00 33.53 H new ATOM 0 HB3 ALA A 90 3.842 4.623 5.572 1.00 33.53 H new ATOM 1316 N GLU A 91 6.595 2.794 6.545 1.00 14.12 N ATOM 1317 CA GLU A 91 7.135 1.591 6.013 1.00 44.25 C ATOM 1318 C GLU A 91 6.351 0.407 6.523 1.00 53.33 C ATOM 1319 O GLU A 91 5.814 0.419 7.637 1.00 60.13 O ATOM 1320 CB GLU A 91 8.662 1.450 6.241 1.00 1.24 C ATOM 1321 CG GLU A 91 9.132 1.561 7.677 1.00 51.51 C ATOM 1322 CD GLU A 91 10.637 1.425 7.805 1.00 1.23 C ATOM 1323 OE1 GLU A 91 11.372 2.372 7.441 1.00 22.25 O ATOM 1324 OE2 GLU A 91 11.113 0.376 8.287 1.00 64.35 O ATOM 0 H GLU A 91 6.345 2.742 7.533 1.00 14.12 H new ATOM 0 HA GLU A 91 7.027 1.628 4.929 1.00 44.25 H new ATOM 0 HB2 GLU A 91 8.980 0.484 5.849 1.00 1.24 H new ATOM 0 HB3 GLU A 91 9.169 2.215 5.653 1.00 1.24 H new ATOM 0 HG2 GLU A 91 8.821 2.523 8.085 1.00 51.51 H new ATOM 0 HG3 GLU A 91 8.648 0.789 8.276 1.00 51.51 H new ATOM 1331 N PHE A 92 6.272 -0.581 5.710 1.00 12.14 N ATOM 1332 CA PHE A 92 5.536 -1.761 5.993 1.00 52.01 C ATOM 1333 C PHE A 92 6.524 -2.826 6.332 1.00 62.14 C ATOM 1334 O PHE A 92 7.544 -2.967 5.671 1.00 32.11 O ATOM 1335 CB PHE A 92 4.718 -2.190 4.765 1.00 15.41 C ATOM 1336 CG PHE A 92 3.813 -1.115 4.224 1.00 51.41 C ATOM 1337 CD1 PHE A 92 2.577 -0.894 4.788 1.00 20.04 C ATOM 1338 CD2 PHE A 92 4.202 -0.330 3.151 1.00 22.23 C ATOM 1339 CE1 PHE A 92 1.740 0.090 4.302 1.00 35.24 C ATOM 1340 CE2 PHE A 92 3.371 0.654 2.660 1.00 33.33 C ATOM 1341 CZ PHE A 92 2.137 0.865 3.236 1.00 52.32 C ATOM 0 H PHE A 92 6.732 -0.593 4.800 1.00 12.14 H new ATOM 0 HA PHE A 92 4.843 -1.588 6.817 1.00 52.01 H new ATOM 0 HB2 PHE A 92 5.403 -2.504 3.977 1.00 15.41 H new ATOM 0 HB3 PHE A 92 4.115 -3.059 5.029 1.00 15.41 H new ATOM 0 HD1 PHE A 92 2.257 -1.500 5.623 1.00 20.04 H new ATOM 0 HD2 PHE A 92 5.167 -0.491 2.694 1.00 22.23 H new ATOM 0 HE1 PHE A 92 0.774 0.252 4.758 1.00 35.24 H new ATOM 0 HE2 PHE A 92 3.687 1.260 1.824 1.00 33.33 H new ATOM 0 HZ PHE A 92 1.484 1.635 2.853 1.00 52.32 H new ATOM 1351 N ARG A 93 6.260 -3.509 7.367 1.00 31.14 N ATOM 1352 CA ARG A 93 7.117 -4.533 7.861 1.00 52.23 C ATOM 1353 C ARG A 93 6.397 -5.843 7.827 1.00 41.13 C ATOM 1354 O ARG A 93 5.330 -5.977 8.408 1.00 70.24 O ATOM 1355 CB ARG A 93 7.510 -4.206 9.291 1.00 4.13 C ATOM 1356 CG ARG A 93 8.580 -3.146 9.430 1.00 63.33 C ATOM 1357 CD ARG A 93 8.600 -2.573 10.838 1.00 64.50 C ATOM 1358 NE ARG A 93 8.375 -3.590 11.882 1.00 21.13 N ATOM 1359 CZ ARG A 93 8.968 -3.622 13.076 1.00 4.24 C ATOM 1360 NH1 ARG A 93 10.041 -2.874 13.322 1.00 71.44 N ATOM 1361 NH2 ARG A 93 8.504 -4.436 14.003 1.00 21.11 N ATOM 0 H ARG A 93 5.415 -3.377 7.923 1.00 31.14 H new ATOM 0 HA ARG A 93 8.011 -4.596 7.241 1.00 52.23 H new ATOM 0 HB2 ARG A 93 6.622 -3.878 9.831 1.00 4.13 H new ATOM 0 HB3 ARG A 93 7.858 -5.119 9.775 1.00 4.13 H new ATOM 0 HG2 ARG A 93 9.554 -3.574 9.194 1.00 63.33 H new ATOM 0 HG3 ARG A 93 8.401 -2.347 8.711 1.00 63.33 H new ATOM 0 HD2 ARG A 93 9.561 -2.089 11.013 1.00 64.50 H new ATOM 0 HD3 ARG A 93 7.834 -1.801 10.920 1.00 64.50 H new ATOM 0 HE ARG A 93 7.708 -4.333 11.673 1.00 21.13 H new ATOM 0 HH11 ARG A 93 10.418 -2.268 12.593 1.00 71.44 H new ATOM 0 HH12 ARG A 93 10.486 -2.907 14.239 1.00 71.44 H new ATOM 0 HH21 ARG A 93 7.701 -5.032 13.803 1.00 21.11 H new ATOM 0 HH22 ARG A 93 8.948 -4.470 14.920 1.00 21.11 H new ATOM 1375 N ILE A 94 6.938 -6.784 7.137 1.00 31.35 N ATOM 1376 CA ILE A 94 6.363 -8.093 7.109 1.00 22.14 C ATOM 1377 C ILE A 94 7.417 -9.038 7.619 1.00 14.32 C ATOM 1378 O ILE A 94 8.432 -9.262 6.959 1.00 24.34 O ATOM 1379 CB ILE A 94 5.954 -8.508 5.669 1.00 54.14 C ATOM 1380 CG1 ILE A 94 4.989 -7.477 5.070 1.00 20.11 C ATOM 1381 CG2 ILE A 94 5.316 -9.896 5.676 1.00 75.12 C ATOM 1382 CD1 ILE A 94 4.564 -7.784 3.653 1.00 63.34 C ATOM 0 H ILE A 94 7.785 -6.676 6.578 1.00 31.35 H new ATOM 0 HA ILE A 94 5.461 -8.115 7.720 1.00 22.14 H new ATOM 0 HB ILE A 94 6.850 -8.543 5.050 1.00 54.14 H new ATOM 0 HG12 ILE A 94 4.101 -7.417 5.700 1.00 20.11 H new ATOM 0 HG13 ILE A 94 5.463 -6.496 5.092 1.00 20.11 H new ATOM 0 HG21 ILE A 94 5.035 -10.172 4.660 1.00 75.12 H new ATOM 0 HG22 ILE A 94 6.029 -10.622 6.065 1.00 75.12 H new ATOM 0 HG23 ILE A 94 4.428 -9.885 6.308 1.00 75.12 H new ATOM 0 HD11 ILE A 94 3.883 -7.009 3.301 1.00 63.34 H new ATOM 0 HD12 ILE A 94 5.442 -7.815 3.008 1.00 63.34 H new ATOM 0 HD13 ILE A 94 4.060 -8.750 3.626 1.00 63.34 H new ATOM 1394 N ASN A 95 7.199 -9.590 8.768 1.00 32.35 N ATOM 1395 CA ASN A 95 8.190 -10.441 9.373 1.00 54.15 C ATOM 1396 C ASN A 95 7.542 -11.627 10.004 1.00 71.41 C ATOM 1397 O ASN A 95 6.618 -11.471 10.789 1.00 12.10 O ATOM 1398 CB ASN A 95 9.026 -9.693 10.435 1.00 2.33 C ATOM 1399 CG ASN A 95 9.783 -8.483 9.902 1.00 4.43 C ATOM 1400 OD1 ASN A 95 9.291 -7.347 9.959 1.00 63.15 O ATOM 1401 ND2 ASN A 95 10.961 -8.704 9.376 1.00 0.34 N ATOM 0 H ASN A 95 6.345 -9.471 9.313 1.00 32.35 H new ATOM 0 HA ASN A 95 8.861 -10.764 8.577 1.00 54.15 H new ATOM 0 HB2 ASN A 95 8.364 -9.368 11.238 1.00 2.33 H new ATOM 0 HB3 ASN A 95 9.741 -10.389 10.874 1.00 2.33 H new ATOM 0 HD21 ASN A 95 11.504 -7.928 8.997 1.00 0.34 H new ATOM 0 HD22 ASN A 95 11.336 -9.652 9.345 1.00 0.34 H new ATOM 1408 N GLU A 96 7.998 -12.806 9.623 1.00 34.22 N ATOM 1409 CA GLU A 96 7.588 -14.074 10.223 1.00 31.53 C ATOM 1410 C GLU A 96 6.055 -14.254 10.233 1.00 32.51 C ATOM 1411 O GLU A 96 5.477 -14.772 11.194 1.00 52.13 O ATOM 1412 CB GLU A 96 8.189 -14.210 11.655 1.00 55.12 C ATOM 1413 CG GLU A 96 9.732 -14.363 11.728 1.00 21.40 C ATOM 1414 CD GLU A 96 10.528 -13.161 11.216 1.00 55.35 C ATOM 1415 OE1 GLU A 96 10.824 -12.241 12.008 1.00 40.11 O ATOM 1416 OE2 GLU A 96 10.869 -13.120 10.010 1.00 22.44 O ATOM 0 H GLU A 96 8.679 -12.917 8.872 1.00 34.22 H new ATOM 0 HA GLU A 96 7.984 -14.877 9.601 1.00 31.53 H new ATOM 0 HB2 GLU A 96 7.902 -13.332 12.234 1.00 55.12 H new ATOM 0 HB3 GLU A 96 7.734 -15.074 12.139 1.00 55.12 H new ATOM 0 HG2 GLU A 96 10.014 -14.552 12.764 1.00 21.40 H new ATOM 0 HG3 GLU A 96 10.022 -15.243 11.153 1.00 21.40 H new ATOM 1423 N GLY A 97 5.416 -13.851 9.147 1.00 1.20 N ATOM 1424 CA GLY A 97 3.976 -13.986 9.024 1.00 3.12 C ATOM 1425 C GLY A 97 3.196 -12.821 9.620 1.00 32.14 C ATOM 1426 O GLY A 97 1.972 -12.788 9.533 1.00 12.34 O ATOM 0 H GLY A 97 5.872 -13.428 8.339 1.00 1.20 H new ATOM 0 HA2 GLY A 97 3.718 -14.082 7.969 1.00 3.12 H new ATOM 0 HA3 GLY A 97 3.664 -14.908 9.514 1.00 3.12 H new ATOM 1430 N GLU A 98 3.885 -11.862 10.196 1.00 32.24 N ATOM 1431 CA GLU A 98 3.245 -10.707 10.771 1.00 44.34 C ATOM 1432 C GLU A 98 3.367 -9.544 9.816 1.00 44.22 C ATOM 1433 O GLU A 98 4.399 -9.371 9.171 1.00 13.22 O ATOM 1434 CB GLU A 98 3.953 -10.343 12.057 1.00 35.34 C ATOM 1435 CG GLU A 98 3.948 -11.442 13.087 1.00 41.44 C ATOM 1436 CD GLU A 98 2.578 -11.695 13.652 1.00 41.23 C ATOM 1437 OE1 GLU A 98 2.061 -10.830 14.400 1.00 5.11 O ATOM 1438 OE2 GLU A 98 2.000 -12.759 13.376 1.00 40.14 O ATOM 0 H GLU A 98 4.902 -11.863 10.278 1.00 32.24 H new ATOM 0 HA GLU A 98 2.195 -10.928 10.963 1.00 44.34 H new ATOM 0 HB2 GLU A 98 4.985 -10.076 11.829 1.00 35.34 H new ATOM 0 HB3 GLU A 98 3.481 -9.457 12.482 1.00 35.34 H new ATOM 0 HG2 GLU A 98 4.327 -12.359 12.637 1.00 41.44 H new ATOM 0 HG3 GLU A 98 4.629 -11.180 13.897 1.00 41.44 H new ATOM 1445 N PHE A 99 2.320 -8.768 9.722 1.00 22.14 N ATOM 1446 CA PHE A 99 2.273 -7.622 8.845 1.00 42.12 C ATOM 1447 C PHE A 99 2.051 -6.374 9.704 1.00 34.25 C ATOM 1448 O PHE A 99 1.030 -6.261 10.380 1.00 41.52 O ATOM 1449 CB PHE A 99 1.100 -7.751 7.853 1.00 40.21 C ATOM 1450 CG PHE A 99 1.055 -9.023 7.034 1.00 3.52 C ATOM 1451 CD1 PHE A 99 0.400 -10.151 7.510 1.00 62.24 C ATOM 1452 CD2 PHE A 99 1.645 -9.079 5.785 1.00 51.01 C ATOM 1453 CE1 PHE A 99 0.339 -11.306 6.757 1.00 61.42 C ATOM 1454 CE2 PHE A 99 1.590 -10.235 5.025 1.00 32.12 C ATOM 1455 CZ PHE A 99 0.936 -11.349 5.513 1.00 53.24 C ATOM 0 H PHE A 99 1.464 -8.913 10.258 1.00 22.14 H new ATOM 0 HA PHE A 99 3.205 -7.555 8.285 1.00 42.12 H new ATOM 0 HB2 PHE A 99 0.168 -7.670 8.412 1.00 40.21 H new ATOM 0 HB3 PHE A 99 1.135 -6.904 7.168 1.00 40.21 H new ATOM 0 HD1 PHE A 99 -0.068 -10.124 8.483 1.00 62.24 H new ATOM 0 HD2 PHE A 99 2.155 -8.210 5.397 1.00 51.01 H new ATOM 0 HE1 PHE A 99 -0.175 -12.175 7.140 1.00 61.42 H new ATOM 0 HE2 PHE A 99 2.058 -10.265 4.052 1.00 32.12 H new ATOM 0 HZ PHE A 99 0.892 -12.252 4.923 1.00 53.24 H new ATOM 1465 N GLU A 100 2.983 -5.466 9.691 1.00 3.55 N ATOM 1466 CA GLU A 100 2.893 -4.245 10.476 1.00 54.33 C ATOM 1467 C GLU A 100 3.090 -3.040 9.578 1.00 22.01 C ATOM 1468 O GLU A 100 3.848 -3.099 8.619 1.00 23.00 O ATOM 1469 CB GLU A 100 3.996 -4.205 11.546 1.00 43.53 C ATOM 1470 CG GLU A 100 4.009 -5.358 12.531 1.00 23.15 C ATOM 1471 CD GLU A 100 5.172 -5.249 13.493 1.00 2.51 C ATOM 1472 OE1 GLU A 100 6.301 -5.642 13.129 1.00 23.10 O ATOM 1473 OE2 GLU A 100 4.985 -4.774 14.637 1.00 14.44 O ATOM 0 H GLU A 100 3.836 -5.541 9.136 1.00 3.55 H new ATOM 0 HA GLU A 100 1.910 -4.225 10.947 1.00 54.33 H new ATOM 0 HB2 GLU A 100 4.962 -4.173 11.042 1.00 43.53 H new ATOM 0 HB3 GLU A 100 3.897 -3.275 12.107 1.00 43.53 H new ATOM 0 HG2 GLU A 100 3.073 -5.372 13.089 1.00 23.15 H new ATOM 0 HG3 GLU A 100 4.071 -6.301 11.988 1.00 23.15 H new ATOM 1480 N VAL A 101 2.403 -1.978 9.866 1.00 61.55 N ATOM 1481 CA VAL A 101 2.628 -0.721 9.203 1.00 72.55 C ATOM 1482 C VAL A 101 3.180 0.191 10.262 1.00 12.23 C ATOM 1483 O VAL A 101 2.539 0.376 11.304 1.00 63.50 O ATOM 1484 CB VAL A 101 1.301 -0.069 8.704 1.00 0.05 C ATOM 1485 CG1 VAL A 101 1.568 1.173 7.862 1.00 32.31 C ATOM 1486 CG2 VAL A 101 0.417 -1.054 7.964 1.00 72.01 C ATOM 0 H VAL A 101 1.666 -1.954 10.570 1.00 61.55 H new ATOM 0 HA VAL A 101 3.279 -0.875 8.342 1.00 72.55 H new ATOM 0 HB VAL A 101 0.754 0.243 9.594 1.00 0.05 H new ATOM 0 HG11 VAL A 101 0.621 1.600 7.532 1.00 32.31 H new ATOM 0 HG12 VAL A 101 2.109 1.908 8.459 1.00 32.31 H new ATOM 0 HG13 VAL A 101 2.166 0.901 6.992 1.00 32.31 H new ATOM 0 HG21 VAL A 101 -0.494 -0.552 7.637 1.00 72.01 H new ATOM 0 HG22 VAL A 101 0.950 -1.440 7.095 1.00 72.01 H new ATOM 0 HG23 VAL A 101 0.158 -1.880 8.627 1.00 72.01 H new ATOM 1496 N VAL A 102 4.339 0.725 10.049 1.00 35.22 N ATOM 1497 CA VAL A 102 4.889 1.666 10.974 1.00 50.01 C ATOM 1498 C VAL A 102 5.146 2.996 10.279 1.00 34.21 C ATOM 1499 O VAL A 102 5.702 3.040 9.172 1.00 61.41 O ATOM 1500 CB VAL A 102 6.174 1.156 11.702 1.00 32.22 C ATOM 1501 CG1 VAL A 102 5.869 -0.049 12.584 1.00 73.03 C ATOM 1502 CG2 VAL A 102 7.286 0.821 10.717 1.00 31.13 C ATOM 0 H VAL A 102 4.926 0.525 9.239 1.00 35.22 H new ATOM 0 HA VAL A 102 4.144 1.803 11.758 1.00 50.01 H new ATOM 0 HB VAL A 102 6.522 1.970 12.338 1.00 32.22 H new ATOM 0 HG11 VAL A 102 6.783 -0.380 13.077 1.00 73.03 H new ATOM 0 HG12 VAL A 102 5.131 0.229 13.337 1.00 73.03 H new ATOM 0 HG13 VAL A 102 5.474 -0.859 11.970 1.00 73.03 H new ATOM 0 HG21 VAL A 102 8.162 0.470 11.263 1.00 31.13 H new ATOM 0 HG22 VAL A 102 6.946 0.041 10.036 1.00 31.13 H new ATOM 0 HG23 VAL A 102 7.547 1.712 10.146 1.00 31.13 H new ATOM 1512 N ASP A 103 4.717 4.039 10.888 1.00 11.14 N ATOM 1513 CA ASP A 103 4.928 5.378 10.389 1.00 51.44 C ATOM 1514 C ASP A 103 6.334 5.808 10.752 1.00 52.03 C ATOM 1515 O ASP A 103 6.836 5.468 11.838 1.00 51.01 O ATOM 1516 CB ASP A 103 3.913 6.330 11.018 1.00 21.45 C ATOM 1517 CG ASP A 103 4.018 7.745 10.516 1.00 55.11 C ATOM 1518 OD1 ASP A 103 4.930 8.482 10.931 1.00 61.33 O ATOM 1519 OD2 ASP A 103 3.162 8.165 9.723 1.00 30.44 O ATOM 0 H ASP A 103 4.198 4.003 11.765 1.00 11.14 H new ATOM 0 HA ASP A 103 4.800 5.399 9.307 1.00 51.44 H new ATOM 0 HB2 ASP A 103 2.908 5.957 10.820 1.00 21.45 H new ATOM 0 HB3 ASP A 103 4.047 6.327 12.100 1.00 21.45 H new ATOM 1524 N VAL A 104 6.990 6.501 9.855 1.00 52.51 N ATOM 1525 CA VAL A 104 8.341 6.966 10.096 1.00 14.21 C ATOM 1526 C VAL A 104 8.465 8.448 9.778 1.00 34.40 C ATOM 1527 O VAL A 104 9.572 9.011 9.806 1.00 52.34 O ATOM 1528 CB VAL A 104 9.415 6.158 9.296 1.00 23.32 C ATOM 1529 CG1 VAL A 104 9.480 4.711 9.765 1.00 51.43 C ATOM 1530 CG2 VAL A 104 9.150 6.215 7.794 1.00 64.31 C ATOM 0 H VAL A 104 6.611 6.759 8.944 1.00 52.51 H new ATOM 0 HA VAL A 104 8.537 6.802 11.156 1.00 14.21 H new ATOM 0 HB VAL A 104 10.380 6.626 9.490 1.00 23.32 H new ATOM 0 HG11 VAL A 104 10.236 4.176 9.190 1.00 51.43 H new ATOM 0 HG12 VAL A 104 9.742 4.683 10.823 1.00 51.43 H new ATOM 0 HG13 VAL A 104 8.509 4.237 9.619 1.00 51.43 H new ATOM 0 HG21 VAL A 104 9.915 5.643 7.268 1.00 64.31 H new ATOM 0 HG22 VAL A 104 8.169 5.791 7.581 1.00 64.31 H new ATOM 0 HG23 VAL A 104 9.177 7.252 7.459 1.00 64.31 H new ATOM 1540 N GLY A 105 7.342 9.086 9.550 1.00 11.50 N ATOM 1541 CA GLY A 105 7.341 10.467 9.188 1.00 15.43 C ATOM 1542 C GLY A 105 6.013 10.905 8.637 1.00 54.54 C ATOM 1543 O GLY A 105 5.853 11.033 7.414 1.00 13.53 O ATOM 0 H GLY A 105 6.417 8.661 9.611 1.00 11.50 H new ATOM 0 HA2 GLY A 105 7.588 11.071 10.061 1.00 15.43 H new ATOM 0 HA3 GLY A 105 8.119 10.648 8.446 1.00 15.43 H new ATOM 1547 N SER A 106 5.056 11.124 9.528 1.00 62.03 N ATOM 1548 CA SER A 106 3.727 11.574 9.160 1.00 31.31 C ATOM 1549 C SER A 106 3.770 12.972 8.542 1.00 2.32 C ATOM 1550 O SER A 106 3.680 13.976 9.249 1.00 11.51 O ATOM 1551 CB SER A 106 2.806 11.619 10.391 1.00 54.35 C ATOM 1552 OG SER A 106 2.753 10.381 11.068 1.00 13.43 O ATOM 0 H SER A 106 5.184 10.993 10.531 1.00 62.03 H new ATOM 0 HA SER A 106 3.339 10.863 8.430 1.00 31.31 H new ATOM 0 HB2 SER A 106 3.157 12.390 11.076 1.00 54.35 H new ATOM 0 HB3 SER A 106 1.801 11.903 10.079 1.00 54.35 H new ATOM 0 HG SER A 106 2.540 9.668 10.430 1.00 13.43 H new ATOM 1558 N LEU A 107 3.984 13.052 7.258 1.00 20.44 N ATOM 1559 CA LEU A 107 3.944 14.333 6.624 1.00 10.34 C ATOM 1560 C LEU A 107 2.546 14.580 6.142 1.00 75.12 C ATOM 1561 O LEU A 107 1.950 15.580 6.480 1.00 53.55 O ATOM 1562 CB LEU A 107 4.971 14.398 5.479 1.00 72.32 C ATOM 1563 CG LEU A 107 5.129 15.738 4.718 1.00 42.14 C ATOM 1564 CD1 LEU A 107 6.508 15.826 4.094 1.00 21.31 C ATOM 1565 CD2 LEU A 107 4.104 15.850 3.611 1.00 74.11 C ATOM 0 H LEU A 107 4.183 12.262 6.644 1.00 20.44 H new ATOM 0 HA LEU A 107 4.214 15.117 7.332 1.00 10.34 H new ATOM 0 HB2 LEU A 107 5.945 14.130 5.889 1.00 72.32 H new ATOM 0 HB3 LEU A 107 4.709 13.630 4.751 1.00 72.32 H new ATOM 0 HG LEU A 107 4.986 16.545 5.436 1.00 42.14 H new ATOM 0 HD11 LEU A 107 6.607 16.772 3.562 1.00 21.31 H new ATOM 0 HD12 LEU A 107 7.265 15.768 4.876 1.00 21.31 H new ATOM 0 HD13 LEU A 107 6.644 15.001 3.395 1.00 21.31 H new ATOM 0 HD21 LEU A 107 4.233 16.799 3.090 1.00 74.11 H new ATOM 0 HD22 LEU A 107 4.237 15.028 2.907 1.00 74.11 H new ATOM 0 HD23 LEU A 107 3.102 15.804 4.037 1.00 74.11 H new ATOM 1577 N ASN A 108 1.988 13.616 5.436 1.00 1.43 N ATOM 1578 CA ASN A 108 0.640 13.779 4.894 1.00 33.00 C ATOM 1579 C ASN A 108 -0.379 13.203 5.893 1.00 4.15 C ATOM 1580 O ASN A 108 -1.547 13.549 5.875 1.00 5.21 O ATOM 1581 CB ASN A 108 0.528 13.065 3.522 1.00 55.12 C ATOM 1582 CG ASN A 108 -0.198 13.887 2.439 1.00 34.43 C ATOM 1583 OD1 ASN A 108 -1.414 13.863 2.323 1.00 11.15 O ATOM 1584 ND2 ASN A 108 0.562 14.578 1.613 1.00 10.01 N ATOM 0 H ASN A 108 2.433 12.723 5.223 1.00 1.43 H new ATOM 0 HA ASN A 108 0.430 14.838 4.743 1.00 33.00 H new ATOM 0 HB2 ASN A 108 1.530 12.823 3.168 1.00 55.12 H new ATOM 0 HB3 ASN A 108 0.002 12.120 3.659 1.00 55.12 H new ATOM 0 HD21 ASN A 108 0.137 15.110 0.854 1.00 10.01 H new ATOM 0 HD22 ASN A 108 1.575 14.580 1.733 1.00 10.01 H new ATOM 1591 N GLY A 109 0.114 12.348 6.805 1.00 71.21 N ATOM 1592 CA GLY A 109 -0.742 11.752 7.823 1.00 65.23 C ATOM 1593 C GLY A 109 -1.147 10.327 7.477 1.00 11.42 C ATOM 1594 O GLY A 109 -1.800 10.094 6.470 1.00 74.35 O ATOM 0 H GLY A 109 1.092 12.062 6.852 1.00 71.21 H new ATOM 0 HA2 GLY A 109 -0.221 11.757 8.780 1.00 65.23 H new ATOM 0 HA3 GLY A 109 -1.637 12.362 7.944 1.00 65.23 H new ATOM 1598 N THR A 110 -0.709 9.373 8.262 1.00 74.54 N ATOM 1599 CA THR A 110 -1.073 7.992 8.046 1.00 54.31 C ATOM 1600 C THR A 110 -2.397 7.666 8.761 1.00 45.30 C ATOM 1601 O THR A 110 -2.571 7.976 9.958 1.00 62.33 O ATOM 1602 CB THR A 110 0.047 7.094 8.585 1.00 53.52 C ATOM 1603 OG1 THR A 110 1.277 7.584 8.060 1.00 43.35 O ATOM 1604 CG2 THR A 110 -0.142 5.650 8.133 1.00 31.14 C ATOM 0 H THR A 110 -0.096 9.528 9.062 1.00 74.54 H new ATOM 0 HA THR A 110 -1.208 7.817 6.979 1.00 54.31 H new ATOM 0 HB THR A 110 0.037 7.113 9.675 1.00 53.52 H new ATOM 0 HG1 THR A 110 1.102 8.109 7.251 1.00 43.35 H new ATOM 0 HG21 THR A 110 0.666 5.036 8.530 1.00 31.14 H new ATOM 0 HG22 THR A 110 -1.097 5.275 8.502 1.00 31.14 H new ATOM 0 HG23 THR A 110 -0.131 5.605 7.044 1.00 31.14 H new ATOM 1612 N TYR A 111 -3.324 7.072 8.041 1.00 41.12 N ATOM 1613 CA TYR A 111 -4.586 6.665 8.603 1.00 22.13 C ATOM 1614 C TYR A 111 -4.887 5.258 8.116 1.00 1.13 C ATOM 1615 O TYR A 111 -4.879 5.006 6.928 1.00 53.43 O ATOM 1616 CB TYR A 111 -5.723 7.626 8.161 1.00 34.23 C ATOM 1617 CG TYR A 111 -5.519 9.088 8.521 1.00 2.14 C ATOM 1618 CD1 TYR A 111 -5.960 9.595 9.731 1.00 71.55 C ATOM 1619 CD2 TYR A 111 -4.880 9.958 7.643 1.00 43.12 C ATOM 1620 CE1 TYR A 111 -5.770 10.920 10.061 1.00 3.43 C ATOM 1621 CE2 TYR A 111 -4.689 11.285 7.967 1.00 74.05 C ATOM 1622 CZ TYR A 111 -5.135 11.761 9.177 1.00 12.54 C ATOM 1623 OH TYR A 111 -4.933 13.085 9.512 1.00 22.14 O ATOM 0 H TYR A 111 -3.220 6.859 7.049 1.00 41.12 H new ATOM 0 HA TYR A 111 -4.527 6.692 9.691 1.00 22.13 H new ATOM 0 HB2 TYR A 111 -5.841 7.549 7.080 1.00 34.23 H new ATOM 0 HB3 TYR A 111 -6.657 7.286 8.609 1.00 34.23 H new ATOM 0 HD1 TYR A 111 -6.462 8.941 10.429 1.00 71.55 H new ATOM 0 HD2 TYR A 111 -4.528 9.588 6.692 1.00 43.12 H new ATOM 0 HE1 TYR A 111 -6.119 11.297 11.011 1.00 3.43 H new ATOM 0 HE2 TYR A 111 -4.192 11.947 7.273 1.00 74.05 H new ATOM 0 HH TYR A 111 -4.470 13.541 8.778 1.00 22.14 H new ATOM 1633 N VAL A 112 -5.143 4.355 9.015 1.00 3.14 N ATOM 1634 CA VAL A 112 -5.448 2.973 8.655 1.00 72.52 C ATOM 1635 C VAL A 112 -6.691 2.589 9.412 1.00 32.02 C ATOM 1636 O VAL A 112 -6.787 2.907 10.596 1.00 33.50 O ATOM 1637 CB VAL A 112 -4.300 1.983 9.048 1.00 1.12 C ATOM 1638 CG1 VAL A 112 -4.603 0.571 8.551 1.00 33.23 C ATOM 1639 CG2 VAL A 112 -2.947 2.450 8.527 1.00 45.00 C ATOM 0 H VAL A 112 -5.150 4.539 10.018 1.00 3.14 H new ATOM 0 HA VAL A 112 -5.573 2.909 7.574 1.00 72.52 H new ATOM 0 HB VAL A 112 -4.249 1.966 10.137 1.00 1.12 H new ATOM 0 HG11 VAL A 112 -3.791 -0.097 8.837 1.00 33.23 H new ATOM 0 HG12 VAL A 112 -5.534 0.221 8.996 1.00 33.23 H new ATOM 0 HG13 VAL A 112 -4.700 0.580 7.465 1.00 33.23 H new ATOM 0 HG21 VAL A 112 -2.178 1.736 8.821 1.00 45.00 H new ATOM 0 HG22 VAL A 112 -2.980 2.520 7.440 1.00 45.00 H new ATOM 0 HG23 VAL A 112 -2.713 3.428 8.947 1.00 45.00 H new ATOM 1649 N ASN A 113 -7.654 1.956 8.734 1.00 30.42 N ATOM 1650 CA ASN A 113 -8.948 1.555 9.340 1.00 12.22 C ATOM 1651 C ASN A 113 -9.614 2.788 9.991 1.00 12.43 C ATOM 1652 O ASN A 113 -10.185 2.728 11.062 1.00 73.42 O ATOM 1653 CB ASN A 113 -8.749 0.389 10.356 1.00 12.45 C ATOM 1654 CG ASN A 113 -10.058 -0.320 10.735 1.00 34.21 C ATOM 1655 OD1 ASN A 113 -10.723 0.024 11.724 1.00 31.41 O ATOM 1656 ND2 ASN A 113 -10.419 -1.325 9.965 1.00 42.22 N ATOM 0 H ASN A 113 -7.568 1.703 7.750 1.00 30.42 H new ATOM 0 HA ASN A 113 -9.613 1.180 8.562 1.00 12.22 H new ATOM 0 HB2 ASN A 113 -8.060 -0.340 9.930 1.00 12.45 H new ATOM 0 HB3 ASN A 113 -8.281 0.780 11.260 1.00 12.45 H new ATOM 0 HD21 ASN A 113 -11.270 -1.848 10.174 1.00 42.22 H new ATOM 0 HD22 ASN A 113 -9.848 -1.581 9.159 1.00 42.22 H new ATOM 1663 N ARG A 114 -9.510 3.922 9.275 1.00 71.40 N ATOM 1664 CA ARG A 114 -10.054 5.249 9.660 1.00 42.13 C ATOM 1665 C ARG A 114 -9.344 5.841 10.909 1.00 65.25 C ATOM 1666 O ARG A 114 -9.774 6.861 11.439 1.00 13.21 O ATOM 1667 CB ARG A 114 -11.567 5.182 9.942 1.00 62.53 C ATOM 1668 CG ARG A 114 -12.413 4.395 8.943 1.00 15.44 C ATOM 1669 CD ARG A 114 -12.357 4.915 7.517 1.00 12.15 C ATOM 1670 NE ARG A 114 -13.440 4.310 6.723 1.00 71.22 N ATOM 1671 CZ ARG A 114 -13.353 3.727 5.520 1.00 41.02 C ATOM 1672 NH1 ARG A 114 -12.180 3.594 4.906 1.00 64.30 N ATOM 1673 NH2 ARG A 114 -14.455 3.267 4.949 1.00 60.34 N ATOM 0 H ARG A 114 -9.027 3.947 8.377 1.00 71.40 H new ATOM 0 HA ARG A 114 -9.868 5.901 8.807 1.00 42.13 H new ATOM 0 HB2 ARG A 114 -11.711 4.744 10.930 1.00 62.53 H new ATOM 0 HB3 ARG A 114 -11.951 6.201 9.986 1.00 62.53 H new ATOM 0 HG2 ARG A 114 -12.085 3.355 8.950 1.00 15.44 H new ATOM 0 HG3 ARG A 114 -13.450 4.405 9.279 1.00 15.44 H new ATOM 0 HD2 ARG A 114 -12.453 6.001 7.512 1.00 12.15 H new ATOM 0 HD3 ARG A 114 -11.391 4.678 7.071 1.00 12.15 H new ATOM 0 HE ARG A 114 -14.370 4.338 7.140 1.00 71.22 H new ATOM 0 HH11 ARG A 114 -11.329 3.938 5.351 1.00 64.30 H new ATOM 0 HH12 ARG A 114 -12.131 3.148 3.990 1.00 64.30 H new ATOM 0 HH21 ARG A 114 -15.353 3.359 5.425 1.00 60.34 H new ATOM 0 HH22 ARG A 114 -14.407 2.820 4.033 1.00 60.34 H new ATOM 1687 N GLU A 115 -8.269 5.225 11.345 1.00 75.42 N ATOM 1688 CA GLU A 115 -7.549 5.668 12.530 1.00 53.14 C ATOM 1689 C GLU A 115 -6.254 6.388 12.188 1.00 30.21 C ATOM 1690 O GLU A 115 -5.448 5.856 11.417 1.00 31.22 O ATOM 1691 CB GLU A 115 -7.192 4.463 13.407 1.00 1.52 C ATOM 1692 CG GLU A 115 -8.318 3.922 14.251 1.00 42.31 C ATOM 1693 CD GLU A 115 -8.705 4.891 15.329 1.00 13.21 C ATOM 1694 OE1 GLU A 115 -7.871 5.171 16.232 1.00 52.23 O ATOM 1695 OE2 GLU A 115 -9.845 5.387 15.328 1.00 34.44 O ATOM 0 H GLU A 115 -7.865 4.404 10.894 1.00 75.42 H new ATOM 0 HA GLU A 115 -8.210 6.359 13.053 1.00 53.14 H new ATOM 0 HB2 GLU A 115 -6.826 3.663 12.764 1.00 1.52 H new ATOM 0 HB3 GLU A 115 -6.370 4.745 14.065 1.00 1.52 H new ATOM 0 HG2 GLU A 115 -9.181 3.714 13.619 1.00 42.31 H new ATOM 0 HG3 GLU A 115 -8.016 2.976 14.701 1.00 42.31 H new ATOM 1702 N PRO A 116 -6.035 7.616 12.729 1.00 40.25 N ATOM 1703 CA PRO A 116 -4.723 8.261 12.662 1.00 60.30 C ATOM 1704 C PRO A 116 -3.778 7.382 13.454 1.00 24.44 C ATOM 1705 O PRO A 116 -4.040 7.081 14.632 1.00 2.12 O ATOM 1706 CB PRO A 116 -4.926 9.612 13.374 1.00 44.22 C ATOM 1707 CG PRO A 116 -6.209 9.487 14.128 1.00 74.21 C ATOM 1708 CD PRO A 116 -7.036 8.457 13.413 1.00 10.44 C ATOM 0 HA PRO A 116 -4.329 8.402 11.656 1.00 60.30 H new ATOM 0 HB2 PRO A 116 -4.096 9.827 14.047 1.00 44.22 H new ATOM 0 HB3 PRO A 116 -4.973 10.430 12.655 1.00 44.22 H new ATOM 0 HG2 PRO A 116 -6.023 9.186 15.159 1.00 74.21 H new ATOM 0 HG3 PRO A 116 -6.730 10.444 14.165 1.00 74.21 H new ATOM 0 HD2 PRO A 116 -7.639 7.875 14.109 1.00 10.44 H new ATOM 0 HD3 PRO A 116 -7.723 8.918 12.704 1.00 10.44 H new ATOM 1716 N ARG A 117 -2.721 6.930 12.855 1.00 4.31 N ATOM 1717 CA ARG A 117 -1.977 5.902 13.505 1.00 53.23 C ATOM 1718 C ARG A 117 -0.502 6.010 13.215 1.00 33.12 C ATOM 1719 O ARG A 117 -0.106 6.600 12.206 1.00 51.11 O ATOM 1720 CB ARG A 117 -2.535 4.566 13.007 1.00 72.41 C ATOM 1721 CG ARG A 117 -2.168 3.363 13.829 1.00 1.14 C ATOM 1722 CD ARG A 117 -2.641 3.518 15.252 1.00 3.01 C ATOM 1723 NE ARG A 117 -2.482 2.300 16.017 1.00 41.54 N ATOM 1724 CZ ARG A 117 -3.204 1.962 17.074 1.00 31.52 C ATOM 1725 NH1 ARG A 117 -4.200 2.744 17.491 1.00 12.33 N ATOM 1726 NH2 ARG A 117 -2.952 0.828 17.696 1.00 32.35 N ATOM 0 H ARG A 117 -2.365 7.242 11.952 1.00 4.31 H new ATOM 0 HA ARG A 117 -2.080 5.991 14.587 1.00 53.23 H new ATOM 0 HB2 ARG A 117 -3.622 4.639 12.967 1.00 72.41 H new ATOM 0 HB3 ARG A 117 -2.188 4.406 11.986 1.00 72.41 H new ATOM 0 HG2 ARG A 117 -2.611 2.469 13.390 1.00 1.14 H new ATOM 0 HG3 ARG A 117 -1.087 3.224 13.814 1.00 1.14 H new ATOM 0 HD2 ARG A 117 -2.084 4.322 15.733 1.00 3.01 H new ATOM 0 HD3 ARG A 117 -3.691 3.812 15.254 1.00 3.01 H new ATOM 0 HE ARG A 117 -1.755 1.650 15.718 1.00 41.54 H new ATOM 0 HH11 ARG A 117 -4.411 3.610 16.995 1.00 12.33 H new ATOM 0 HH12 ARG A 117 -4.751 2.476 18.306 1.00 12.33 H new ATOM 0 HH21 ARG A 117 -2.205 0.218 17.362 1.00 32.35 H new ATOM 0 HH22 ARG A 117 -3.503 0.560 18.511 1.00 32.35 H new ATOM 1740 N ASN A 118 0.301 5.479 14.124 1.00 2.22 N ATOM 1741 CA ASN A 118 1.734 5.417 13.936 1.00 0.32 C ATOM 1742 C ASN A 118 2.129 3.980 13.662 1.00 11.35 C ATOM 1743 O ASN A 118 2.977 3.710 12.852 1.00 73.23 O ATOM 1744 CB ASN A 118 2.471 5.929 15.165 1.00 25.11 C ATOM 1745 CG ASN A 118 3.974 6.110 14.925 1.00 61.11 C ATOM 1746 OD1 ASN A 118 4.772 5.203 15.162 1.00 33.51 O ATOM 1747 ND2 ASN A 118 4.364 7.274 14.458 1.00 14.34 N ATOM 0 H ASN A 118 -0.024 5.082 15.006 1.00 2.22 H new ATOM 0 HA ASN A 118 2.008 6.051 13.093 1.00 0.32 H new ATOM 0 HB2 ASN A 118 2.039 6.882 15.471 1.00 25.11 H new ATOM 0 HB3 ASN A 118 2.321 5.232 15.989 1.00 25.11 H new ATOM 0 HD21 ASN A 118 5.354 7.447 14.281 1.00 14.34 H new ATOM 0 HD22 ASN A 118 3.677 8.005 14.272 1.00 14.34 H new ATOM 1754 N ALA A 119 1.488 3.056 14.329 1.00 64.44 N ATOM 1755 CA ALA A 119 1.773 1.648 14.091 1.00 44.43 C ATOM 1756 C ALA A 119 0.492 0.862 14.112 1.00 0.41 C ATOM 1757 O ALA A 119 -0.340 1.046 14.996 1.00 34.11 O ATOM 1758 CB ALA A 119 2.767 1.105 15.111 1.00 12.45 C ATOM 0 H ALA A 119 0.773 3.239 15.033 1.00 64.44 H new ATOM 0 HA ALA A 119 2.233 1.546 13.108 1.00 44.43 H new ATOM 0 HB1 ALA A 119 2.959 0.052 14.907 1.00 12.45 H new ATOM 0 HB2 ALA A 119 3.700 1.664 15.043 1.00 12.45 H new ATOM 0 HB3 ALA A 119 2.353 1.210 16.114 1.00 12.45 H new ATOM 1764 N GLN A 120 0.341 -0.013 13.165 1.00 42.11 N ATOM 1765 CA GLN A 120 -0.897 -0.778 13.001 1.00 12.24 C ATOM 1766 C GLN A 120 -0.607 -2.109 12.350 1.00 10.43 C ATOM 1767 O GLN A 120 0.275 -2.195 11.517 1.00 13.42 O ATOM 1768 CB GLN A 120 -1.867 0.030 12.107 1.00 63.12 C ATOM 1769 CG GLN A 120 -3.170 -0.673 11.712 1.00 42.31 C ATOM 1770 CD GLN A 120 -4.091 -1.007 12.874 1.00 41.51 C ATOM 1771 OE1 GLN A 120 -4.136 -0.310 13.882 1.00 22.22 O ATOM 1772 NE2 GLN A 120 -4.813 -2.088 12.739 1.00 72.15 N ATOM 0 H GLN A 120 1.061 -0.230 12.475 1.00 42.11 H new ATOM 0 HA GLN A 120 -1.344 -0.956 13.979 1.00 12.24 H new ATOM 0 HB2 GLN A 120 -2.121 0.955 12.626 1.00 63.12 H new ATOM 0 HB3 GLN A 120 -1.339 0.310 11.195 1.00 63.12 H new ATOM 0 HG2 GLN A 120 -3.710 -0.039 11.009 1.00 42.31 H new ATOM 0 HG3 GLN A 120 -2.924 -1.595 11.185 1.00 42.31 H new ATOM 0 HE21 GLN A 120 -4.748 -2.642 11.885 1.00 72.15 H new ATOM 0 HE22 GLN A 120 -5.442 -2.378 13.488 1.00 72.15 H new ATOM 1781 N VAL A 121 -1.312 -3.144 12.750 1.00 15.42 N ATOM 1782 CA VAL A 121 -1.201 -4.418 12.077 1.00 43.20 C ATOM 1783 C VAL A 121 -1.867 -4.281 10.710 1.00 1.30 C ATOM 1784 O VAL A 121 -2.991 -3.758 10.606 1.00 0.03 O ATOM 1785 CB VAL A 121 -1.870 -5.564 12.889 1.00 34.34 C ATOM 1786 CG1 VAL A 121 -1.800 -6.898 12.146 1.00 23.20 C ATOM 1787 CG2 VAL A 121 -1.205 -5.696 14.244 1.00 71.23 C ATOM 0 H VAL A 121 -1.965 -3.129 13.534 1.00 15.42 H new ATOM 0 HA VAL A 121 -0.148 -4.680 11.974 1.00 43.20 H new ATOM 0 HB VAL A 121 -2.921 -5.307 13.020 1.00 34.34 H new ATOM 0 HG11 VAL A 121 -2.278 -7.674 12.745 1.00 23.20 H new ATOM 0 HG12 VAL A 121 -2.315 -6.809 11.190 1.00 23.20 H new ATOM 0 HG13 VAL A 121 -0.757 -7.164 11.973 1.00 23.20 H new ATOM 0 HG21 VAL A 121 -1.680 -6.501 14.805 1.00 71.23 H new ATOM 0 HG22 VAL A 121 -0.147 -5.922 14.110 1.00 71.23 H new ATOM 0 HG23 VAL A 121 -1.309 -4.760 14.793 1.00 71.23 H new ATOM 1797 N MET A 122 -1.190 -4.719 9.682 1.00 55.32 N ATOM 1798 CA MET A 122 -1.702 -4.566 8.350 1.00 60.32 C ATOM 1799 C MET A 122 -2.544 -5.774 8.023 1.00 2.32 C ATOM 1800 O MET A 122 -2.116 -6.911 8.182 1.00 20.02 O ATOM 1801 CB MET A 122 -0.535 -4.400 7.368 1.00 11.51 C ATOM 1802 CG MET A 122 -0.933 -4.175 5.922 1.00 33.03 C ATOM 1803 SD MET A 122 0.474 -3.730 4.868 1.00 13.00 S ATOM 1804 CE MET A 122 1.593 -5.102 5.148 1.00 13.41 C ATOM 0 H MET A 122 -0.284 -5.184 9.743 1.00 55.32 H new ATOM 0 HA MET A 122 -2.325 -3.675 8.271 1.00 60.32 H new ATOM 0 HB2 MET A 122 0.076 -3.559 7.695 1.00 11.51 H new ATOM 0 HB3 MET A 122 0.092 -5.290 7.421 1.00 11.51 H new ATOM 0 HG2 MET A 122 -1.401 -5.080 5.533 1.00 33.03 H new ATOM 0 HG3 MET A 122 -1.681 -3.384 5.875 1.00 33.03 H new ATOM 0 HE1 MET A 122 2.396 -5.072 4.412 1.00 13.41 H new ATOM 0 HE2 MET A 122 2.016 -5.028 6.150 1.00 13.41 H new ATOM 0 HE3 MET A 122 1.048 -6.041 5.053 1.00 13.41 H new ATOM 1814 N GLN A 123 -3.732 -5.516 7.575 1.00 15.21 N ATOM 1815 CA GLN A 123 -4.705 -6.534 7.353 1.00 25.11 C ATOM 1816 C GLN A 123 -5.327 -6.415 5.968 1.00 13.34 C ATOM 1817 O GLN A 123 -5.523 -5.309 5.467 1.00 42.00 O ATOM 1818 CB GLN A 123 -5.722 -6.490 8.505 1.00 33.34 C ATOM 1819 CG GLN A 123 -6.250 -5.088 8.815 1.00 71.35 C ATOM 1820 CD GLN A 123 -6.959 -4.988 10.156 1.00 21.03 C ATOM 1821 OE1 GLN A 123 -6.643 -5.718 11.103 1.00 63.34 O ATOM 1822 NE2 GLN A 123 -7.899 -4.081 10.264 1.00 42.31 N ATOM 0 H GLN A 123 -4.057 -4.576 7.350 1.00 15.21 H new ATOM 0 HA GLN A 123 -4.240 -7.520 7.358 1.00 25.11 H new ATOM 0 HB2 GLN A 123 -6.563 -7.138 8.258 1.00 33.34 H new ATOM 0 HB3 GLN A 123 -5.257 -6.899 9.402 1.00 33.34 H new ATOM 0 HG2 GLN A 123 -5.418 -4.384 8.800 1.00 71.35 H new ATOM 0 HG3 GLN A 123 -6.938 -4.785 8.026 1.00 71.35 H new ATOM 0 HE21 GLN A 123 -8.136 -3.494 9.464 1.00 42.31 H new ATOM 0 HE22 GLN A 123 -8.393 -3.962 11.148 1.00 42.31 H new ATOM 1831 N THR A 124 -5.600 -7.545 5.344 1.00 23.40 N ATOM 1832 CA THR A 124 -6.145 -7.571 3.999 1.00 54.12 C ATOM 1833 C THR A 124 -7.624 -7.172 3.992 1.00 62.42 C ATOM 1834 O THR A 124 -8.408 -7.608 4.840 1.00 42.52 O ATOM 1835 CB THR A 124 -5.903 -8.949 3.285 1.00 14.45 C ATOM 1836 OG1 THR A 124 -6.437 -8.948 1.955 1.00 50.30 O ATOM 1837 CG2 THR A 124 -6.500 -10.103 4.068 1.00 24.22 C ATOM 0 H THR A 124 -5.451 -8.468 5.753 1.00 23.40 H new ATOM 0 HA THR A 124 -5.603 -6.826 3.417 1.00 54.12 H new ATOM 0 HB THR A 124 -4.823 -9.087 3.235 1.00 14.45 H new ATOM 0 HG1 THR A 124 -6.712 -9.857 1.712 1.00 50.30 H new ATOM 0 HG21 THR A 124 -6.311 -11.038 3.540 1.00 24.22 H new ATOM 0 HG22 THR A 124 -6.044 -10.146 5.057 1.00 24.22 H new ATOM 0 HG23 THR A 124 -7.575 -9.956 4.170 1.00 24.22 H new ATOM 1845 N GLY A 125 -7.968 -6.309 3.060 1.00 42.34 N ATOM 1846 CA GLY A 125 -9.305 -5.794 2.925 1.00 54.50 C ATOM 1847 C GLY A 125 -9.425 -4.422 3.541 1.00 31.53 C ATOM 1848 O GLY A 125 -10.439 -3.741 3.387 1.00 3.11 O ATOM 0 H GLY A 125 -7.314 -5.943 2.368 1.00 42.34 H new ATOM 0 HA2 GLY A 125 -9.575 -5.747 1.870 1.00 54.50 H new ATOM 0 HA3 GLY A 125 -10.010 -6.474 3.404 1.00 54.50 H new ATOM 1852 N ASP A 126 -8.384 -4.015 4.219 1.00 74.02 N ATOM 1853 CA ASP A 126 -8.368 -2.748 4.922 1.00 52.33 C ATOM 1854 C ASP A 126 -7.867 -1.635 4.031 1.00 54.21 C ATOM 1855 O ASP A 126 -7.101 -1.884 3.074 1.00 20.00 O ATOM 1856 CB ASP A 126 -7.548 -2.822 6.187 1.00 64.53 C ATOM 1857 CG ASP A 126 -8.196 -2.043 7.303 1.00 71.30 C ATOM 1858 OD1 ASP A 126 -8.080 -0.815 7.332 1.00 32.13 O ATOM 1859 OD2 ASP A 126 -8.881 -2.684 8.157 1.00 23.35 O ATOM 0 H ASP A 126 -7.519 -4.550 4.303 1.00 74.02 H new ATOM 0 HA ASP A 126 -9.397 -2.525 5.204 1.00 52.33 H new ATOM 0 HB2 ASP A 126 -7.431 -3.863 6.487 1.00 64.53 H new ATOM 0 HB3 ASP A 126 -6.548 -2.430 5.999 1.00 64.53 H new ATOM 1864 N GLU A 127 -8.269 -0.424 4.332 1.00 72.01 N ATOM 1865 CA GLU A 127 -7.904 0.708 3.528 1.00 74.10 C ATOM 1866 C GLU A 127 -6.943 1.579 4.283 1.00 33.14 C ATOM 1867 O GLU A 127 -7.206 2.008 5.424 1.00 55.41 O ATOM 1868 CB GLU A 127 -9.110 1.558 3.144 1.00 22.21 C ATOM 1869 CG GLU A 127 -10.175 0.844 2.352 1.00 52.32 C ATOM 1870 CD GLU A 127 -11.214 1.797 1.833 1.00 32.50 C ATOM 1871 OE1 GLU A 127 -12.036 2.295 2.625 1.00 10.43 O ATOM 1872 OE2 GLU A 127 -11.227 2.071 0.626 1.00 13.45 O ATOM 0 H GLU A 127 -8.855 -0.200 5.137 1.00 72.01 H new ATOM 0 HA GLU A 127 -7.450 0.316 2.618 1.00 74.10 H new ATOM 0 HB2 GLU A 127 -9.561 1.952 4.055 1.00 22.21 H new ATOM 0 HB3 GLU A 127 -8.762 2.413 2.565 1.00 22.21 H new ATOM 0 HG2 GLU A 127 -9.715 0.317 1.516 1.00 52.32 H new ATOM 0 HG3 GLU A 127 -10.652 0.092 2.980 1.00 52.32 H new ATOM 1879 N ILE A 128 -5.860 1.864 3.641 1.00 52.13 N ATOM 1880 CA ILE A 128 -4.823 2.669 4.181 1.00 43.15 C ATOM 1881 C ILE A 128 -4.872 4.002 3.473 1.00 33.52 C ATOM 1882 O ILE A 128 -4.754 4.092 2.248 1.00 42.43 O ATOM 1883 CB ILE A 128 -3.433 2.005 3.965 1.00 73.41 C ATOM 1884 CG1 ILE A 128 -3.399 0.615 4.634 1.00 53.05 C ATOM 1885 CG2 ILE A 128 -2.309 2.901 4.500 1.00 33.44 C ATOM 1886 CD1 ILE A 128 -2.113 -0.157 4.416 1.00 42.41 C ATOM 0 H ILE A 128 -5.669 1.531 2.696 1.00 52.13 H new ATOM 0 HA ILE A 128 -4.965 2.790 5.255 1.00 43.15 H new ATOM 0 HB ILE A 128 -3.272 1.877 2.895 1.00 73.41 H new ATOM 0 HG12 ILE A 128 -3.557 0.738 5.706 1.00 53.05 H new ATOM 0 HG13 ILE A 128 -4.232 0.023 4.255 1.00 53.05 H new ATOM 0 HG21 ILE A 128 -1.347 2.415 4.337 1.00 33.44 H new ATOM 0 HG22 ILE A 128 -2.325 3.857 3.977 1.00 33.44 H new ATOM 0 HG23 ILE A 128 -2.454 3.069 5.567 1.00 33.44 H new ATOM 0 HD11 ILE A 128 -2.177 -1.121 4.921 1.00 42.41 H new ATOM 0 HD12 ILE A 128 -1.961 -0.316 3.348 1.00 42.41 H new ATOM 0 HD13 ILE A 128 -1.275 0.410 4.822 1.00 42.41 H new ATOM 1898 N GLN A 129 -5.075 5.004 4.225 1.00 43.54 N ATOM 1899 CA GLN A 129 -5.170 6.320 3.732 1.00 51.20 C ATOM 1900 C GLN A 129 -3.899 7.044 4.062 1.00 34.23 C ATOM 1901 O GLN A 129 -3.502 7.140 5.227 1.00 42.35 O ATOM 1902 CB GLN A 129 -6.383 7.018 4.354 1.00 72.21 C ATOM 1903 CG GLN A 129 -6.518 8.495 4.017 1.00 71.02 C ATOM 1904 CD GLN A 129 -7.714 9.131 4.693 1.00 43.32 C ATOM 1905 OE1 GLN A 129 -8.737 8.474 4.925 1.00 52.11 O ATOM 1906 NE2 GLN A 129 -7.609 10.391 4.997 1.00 74.10 N ATOM 0 H GLN A 129 -5.184 4.933 5.237 1.00 43.54 H new ATOM 0 HA GLN A 129 -5.306 6.315 2.651 1.00 51.20 H new ATOM 0 HB2 GLN A 129 -7.286 6.502 4.028 1.00 72.21 H new ATOM 0 HB3 GLN A 129 -6.328 6.912 5.437 1.00 72.21 H new ATOM 0 HG2 GLN A 129 -5.611 9.019 4.319 1.00 71.02 H new ATOM 0 HG3 GLN A 129 -6.609 8.612 2.937 1.00 71.02 H new ATOM 0 HE21 GLN A 129 -6.748 10.896 4.788 1.00 74.10 H new ATOM 0 HE22 GLN A 129 -8.388 10.874 5.444 1.00 74.10 H new ATOM 1915 N ILE A 130 -3.250 7.505 3.059 1.00 42.33 N ATOM 1916 CA ILE A 130 -2.064 8.249 3.226 1.00 13.40 C ATOM 1917 C ILE A 130 -2.407 9.653 2.859 1.00 62.52 C ATOM 1918 O ILE A 130 -2.601 9.981 1.681 1.00 11.13 O ATOM 1919 CB ILE A 130 -0.903 7.699 2.346 1.00 35.11 C ATOM 1920 CG1 ILE A 130 -0.595 6.240 2.749 1.00 11.41 C ATOM 1921 CG2 ILE A 130 0.345 8.576 2.481 1.00 72.24 C ATOM 1922 CD1 ILE A 130 0.511 5.579 1.952 1.00 11.43 C ATOM 0 H ILE A 130 -3.533 7.374 2.088 1.00 42.33 H new ATOM 0 HA ILE A 130 -1.704 8.182 4.253 1.00 13.40 H new ATOM 0 HB ILE A 130 -1.210 7.720 1.300 1.00 35.11 H new ATOM 0 HG12 ILE A 130 -0.325 6.219 3.805 1.00 11.41 H new ATOM 0 HG13 ILE A 130 -1.504 5.649 2.641 1.00 11.41 H new ATOM 0 HG21 ILE A 130 1.143 8.172 1.857 1.00 72.24 H new ATOM 0 HG22 ILE A 130 0.112 9.592 2.160 1.00 72.24 H new ATOM 0 HG23 ILE A 130 0.669 8.589 3.521 1.00 72.24 H new ATOM 0 HD11 ILE A 130 0.655 4.558 2.307 1.00 11.43 H new ATOM 0 HD12 ILE A 130 0.239 5.562 0.897 1.00 11.43 H new ATOM 0 HD13 ILE A 130 1.436 6.141 2.079 1.00 11.43 H new ATOM 1934 N GLY A 131 -2.570 10.448 3.870 1.00 22.34 N ATOM 1935 CA GLY A 131 -2.967 11.792 3.707 1.00 55.30 C ATOM 1936 C GLY A 131 -4.370 11.895 3.194 1.00 2.52 C ATOM 1937 O GLY A 131 -5.335 11.602 3.913 1.00 4.22 O ATOM 0 H GLY A 131 -2.427 10.168 4.840 1.00 22.34 H new ATOM 0 HA2 GLY A 131 -2.889 12.313 4.661 1.00 55.30 H new ATOM 0 HA3 GLY A 131 -2.289 12.291 3.015 1.00 55.30 H new ATOM 1941 N LYS A 132 -4.493 12.272 1.955 1.00 62.01 N ATOM 1942 CA LYS A 132 -5.780 12.451 1.349 1.00 75.33 C ATOM 1943 C LYS A 132 -6.003 11.510 0.168 1.00 40.25 C ATOM 1944 O LYS A 132 -6.979 11.643 -0.576 1.00 23.12 O ATOM 1945 CB LYS A 132 -6.016 13.936 1.008 1.00 50.23 C ATOM 1946 CG LYS A 132 -4.891 14.613 0.224 1.00 44.20 C ATOM 1947 CD LYS A 132 -5.068 16.137 0.195 1.00 13.22 C ATOM 1948 CE LYS A 132 -6.331 16.584 -0.549 1.00 74.12 C ATOM 1949 NZ LYS A 132 -6.262 16.303 -1.996 1.00 22.23 N ATOM 0 H LYS A 132 -3.705 12.464 1.337 1.00 62.01 H new ATOM 0 HA LYS A 132 -6.541 12.169 2.077 1.00 75.33 H new ATOM 0 HB2 LYS A 132 -6.938 14.018 0.432 1.00 50.23 H new ATOM 0 HB3 LYS A 132 -6.171 14.485 1.937 1.00 50.23 H new ATOM 0 HG2 LYS A 132 -3.930 14.365 0.676 1.00 44.20 H new ATOM 0 HG3 LYS A 132 -4.873 14.228 -0.795 1.00 44.20 H new ATOM 0 HD2 LYS A 132 -5.105 16.512 1.218 1.00 13.22 H new ATOM 0 HD3 LYS A 132 -4.196 16.589 -0.278 1.00 13.22 H new ATOM 0 HE2 LYS A 132 -7.198 16.077 -0.124 1.00 74.12 H new ATOM 0 HE3 LYS A 132 -6.480 17.653 -0.396 1.00 74.12 H new ATOM 0 HZ1 LYS A 132 -7.117 16.669 -2.462 1.00 22.23 H new ATOM 0 HZ2 LYS A 132 -5.422 16.765 -2.400 1.00 22.23 H new ATOM 0 HZ3 LYS A 132 -6.198 15.276 -2.148 1.00 22.23 H new ATOM 1963 N PHE A 133 -5.128 10.543 0.006 1.00 0.03 N ATOM 1964 CA PHE A 133 -5.303 9.547 -1.016 1.00 2.04 C ATOM 1965 C PHE A 133 -5.265 8.152 -0.394 1.00 64.25 C ATOM 1966 O PHE A 133 -4.739 7.976 0.705 1.00 25.33 O ATOM 1967 CB PHE A 133 -4.346 9.739 -2.212 1.00 10.32 C ATOM 1968 CG PHE A 133 -2.862 9.730 -1.942 1.00 70.11 C ATOM 1969 CD1 PHE A 133 -2.228 10.839 -1.405 1.00 14.34 C ATOM 1970 CD2 PHE A 133 -2.095 8.628 -2.286 1.00 52.04 C ATOM 1971 CE1 PHE A 133 -0.861 10.850 -1.216 1.00 61.11 C ATOM 1972 CE2 PHE A 133 -0.732 8.631 -2.091 1.00 23.31 C ATOM 1973 CZ PHE A 133 -0.111 9.744 -1.558 1.00 50.14 C ATOM 0 H PHE A 133 -4.288 10.429 0.573 1.00 0.03 H new ATOM 0 HA PHE A 133 -6.291 9.671 -1.459 1.00 2.04 H new ATOM 0 HB2 PHE A 133 -4.558 8.954 -2.938 1.00 10.32 H new ATOM 0 HB3 PHE A 133 -4.593 10.688 -2.688 1.00 10.32 H new ATOM 0 HD1 PHE A 133 -2.811 11.706 -1.131 1.00 14.34 H new ATOM 0 HD2 PHE A 133 -2.572 7.757 -2.712 1.00 52.04 H new ATOM 0 HE1 PHE A 133 -0.379 11.723 -0.801 1.00 61.11 H new ATOM 0 HE2 PHE A 133 -0.148 7.762 -2.355 1.00 23.31 H new ATOM 0 HZ PHE A 133 0.959 9.748 -1.410 1.00 50.14 H new ATOM 1983 N ARG A 134 -5.835 7.164 -1.060 1.00 14.22 N ATOM 1984 CA ARG A 134 -6.022 5.864 -0.420 1.00 75.22 C ATOM 1985 C ARG A 134 -5.522 4.696 -1.223 1.00 24.22 C ATOM 1986 O ARG A 134 -5.669 4.639 -2.455 1.00 35.03 O ATOM 1987 CB ARG A 134 -7.484 5.629 -0.038 1.00 73.23 C ATOM 1988 CG ARG A 134 -7.978 6.526 1.069 1.00 40.24 C ATOM 1989 CD ARG A 134 -9.395 6.194 1.462 1.00 13.31 C ATOM 1990 NE ARG A 134 -9.831 6.983 2.617 1.00 43.11 N ATOM 1991 CZ ARG A 134 -11.091 7.096 3.037 1.00 60.23 C ATOM 1992 NH1 ARG A 134 -12.074 6.481 2.383 1.00 54.30 N ATOM 1993 NH2 ARG A 134 -11.349 7.820 4.118 1.00 23.13 N ATOM 0 H ARG A 134 -6.171 7.227 -2.021 1.00 14.22 H new ATOM 0 HA ARG A 134 -5.406 5.915 0.478 1.00 75.22 H new ATOM 0 HB2 ARG A 134 -8.108 5.778 -0.919 1.00 73.23 H new ATOM 0 HB3 ARG A 134 -7.607 4.590 0.267 1.00 73.23 H new ATOM 0 HG2 ARG A 134 -7.326 6.426 1.937 1.00 40.24 H new ATOM 0 HG3 ARG A 134 -7.923 7.566 0.747 1.00 40.24 H new ATOM 0 HD2 ARG A 134 -10.061 6.382 0.620 1.00 13.31 H new ATOM 0 HD3 ARG A 134 -9.469 5.132 1.697 1.00 13.31 H new ATOM 0 HE ARG A 134 -9.114 7.485 3.141 1.00 43.11 H new ATOM 0 HH11 ARG A 134 -11.864 5.921 1.557 1.00 54.30 H new ATOM 0 HH12 ARG A 134 -13.037 6.570 2.708 1.00 54.30 H new ATOM 0 HH21 ARG A 134 -10.588 8.281 4.616 1.00 23.13 H new ATOM 0 HH22 ARG A 134 -12.308 7.915 4.451 1.00 23.13 H new ATOM 2007 N LEU A 135 -4.964 3.761 -0.505 1.00 73.30 N ATOM 2008 CA LEU A 135 -4.465 2.531 -1.028 1.00 15.44 C ATOM 2009 C LEU A 135 -5.157 1.423 -0.262 1.00 75.11 C ATOM 2010 O LEU A 135 -5.346 1.533 0.945 1.00 61.04 O ATOM 2011 CB LEU A 135 -2.928 2.403 -0.835 1.00 41.12 C ATOM 2012 CG LEU A 135 -2.008 3.471 -1.488 1.00 12.31 C ATOM 2013 CD1 LEU A 135 -2.075 4.824 -0.785 1.00 13.34 C ATOM 2014 CD2 LEU A 135 -0.579 2.973 -1.553 1.00 1.33 C ATOM 0 H LEU A 135 -4.842 3.845 0.504 1.00 73.30 H new ATOM 0 HA LEU A 135 -4.661 2.479 -2.099 1.00 15.44 H new ATOM 0 HB2 LEU A 135 -2.727 2.403 0.236 1.00 41.12 H new ATOM 0 HB3 LEU A 135 -2.626 1.427 -1.216 1.00 41.12 H new ATOM 0 HG LEU A 135 -2.379 3.628 -2.501 1.00 12.31 H new ATOM 0 HD11 LEU A 135 -1.411 5.528 -1.287 1.00 13.34 H new ATOM 0 HD12 LEU A 135 -3.097 5.202 -0.819 1.00 13.34 H new ATOM 0 HD13 LEU A 135 -1.765 4.710 0.254 1.00 13.34 H new ATOM 0 HD21 LEU A 135 0.051 3.734 -2.013 1.00 1.33 H new ATOM 0 HD22 LEU A 135 -0.220 2.766 -0.545 1.00 1.33 H new ATOM 0 HD23 LEU A 135 -0.538 2.060 -2.148 1.00 1.33 H new ATOM 2026 N VAL A 136 -5.556 0.398 -0.928 1.00 54.30 N ATOM 2027 CA VAL A 136 -6.228 -0.688 -0.261 1.00 61.23 C ATOM 2028 C VAL A 136 -5.317 -1.901 -0.314 1.00 72.12 C ATOM 2029 O VAL A 136 -4.657 -2.140 -1.334 1.00 63.31 O ATOM 2030 CB VAL A 136 -7.614 -1.007 -0.905 1.00 50.22 C ATOM 2031 CG1 VAL A 136 -8.411 -1.983 -0.045 1.00 33.14 C ATOM 2032 CG2 VAL A 136 -8.416 0.268 -1.136 1.00 23.41 C ATOM 0 H VAL A 136 -5.435 0.277 -1.934 1.00 54.30 H new ATOM 0 HA VAL A 136 -6.431 -0.405 0.772 1.00 61.23 H new ATOM 0 HB VAL A 136 -7.426 -1.477 -1.870 1.00 50.22 H new ATOM 0 HG11 VAL A 136 -9.371 -2.186 -0.519 1.00 33.14 H new ATOM 0 HG12 VAL A 136 -7.854 -2.914 0.060 1.00 33.14 H new ATOM 0 HG13 VAL A 136 -8.578 -1.547 0.940 1.00 33.14 H new ATOM 0 HG21 VAL A 136 -9.377 0.017 -1.585 1.00 23.41 H new ATOM 0 HG22 VAL A 136 -8.581 0.771 -0.183 1.00 23.41 H new ATOM 0 HG23 VAL A 136 -7.864 0.929 -1.805 1.00 23.41 H new ATOM 2042 N PHE A 137 -5.239 -2.620 0.769 1.00 50.33 N ATOM 2043 CA PHE A 137 -4.367 -3.773 0.869 1.00 55.31 C ATOM 2044 C PHE A 137 -5.192 -5.039 0.702 1.00 21.52 C ATOM 2045 O PHE A 137 -6.062 -5.312 1.508 1.00 43.05 O ATOM 2046 CB PHE A 137 -3.660 -3.739 2.234 1.00 34.32 C ATOM 2047 CG PHE A 137 -2.693 -4.860 2.498 1.00 50.22 C ATOM 2048 CD1 PHE A 137 -1.490 -4.933 1.820 1.00 72.33 C ATOM 2049 CD2 PHE A 137 -2.974 -5.820 3.450 1.00 51.41 C ATOM 2050 CE1 PHE A 137 -0.592 -5.939 2.086 1.00 43.24 C ATOM 2051 CE2 PHE A 137 -2.083 -6.835 3.720 1.00 64.12 C ATOM 2052 CZ PHE A 137 -0.890 -6.893 3.039 1.00 42.43 C ATOM 0 H PHE A 137 -5.777 -2.429 1.614 1.00 50.33 H new ATOM 0 HA PHE A 137 -3.610 -3.756 0.085 1.00 55.31 H new ATOM 0 HB2 PHE A 137 -3.124 -2.794 2.321 1.00 34.32 H new ATOM 0 HB3 PHE A 137 -4.420 -3.748 3.016 1.00 34.32 H new ATOM 0 HD1 PHE A 137 -1.253 -4.190 1.072 1.00 72.33 H new ATOM 0 HD2 PHE A 137 -3.907 -5.774 3.991 1.00 51.41 H new ATOM 0 HE1 PHE A 137 0.345 -5.983 1.551 1.00 43.24 H new ATOM 0 HE2 PHE A 137 -2.320 -7.582 4.463 1.00 64.12 H new ATOM 0 HZ PHE A 137 -0.186 -7.685 3.249 1.00 42.43 H new ATOM 2062 N LEU A 138 -4.932 -5.794 -0.345 1.00 33.24 N ATOM 2063 CA LEU A 138 -5.704 -7.000 -0.633 1.00 33.53 C ATOM 2064 C LEU A 138 -4.786 -8.162 -0.909 1.00 22.32 C ATOM 2065 O LEU A 138 -3.642 -7.990 -1.320 1.00 71.13 O ATOM 2066 CB LEU A 138 -6.613 -6.869 -1.900 1.00 64.52 C ATOM 2067 CG LEU A 138 -7.727 -5.814 -1.949 1.00 24.20 C ATOM 2068 CD1 LEU A 138 -8.610 -5.842 -0.714 1.00 64.41 C ATOM 2069 CD2 LEU A 138 -7.185 -4.432 -2.248 1.00 20.51 C ATOM 0 H LEU A 138 -4.190 -5.599 -1.017 1.00 33.24 H new ATOM 0 HA LEU A 138 -6.323 -7.153 0.251 1.00 33.53 H new ATOM 0 HB2 LEU A 138 -5.956 -6.685 -2.750 1.00 64.52 H new ATOM 0 HB3 LEU A 138 -7.081 -7.840 -2.063 1.00 64.52 H new ATOM 0 HG LEU A 138 -8.374 -6.081 -2.784 1.00 24.20 H new ATOM 0 HD11 LEU A 138 -9.381 -5.076 -0.800 1.00 64.41 H new ATOM 0 HD12 LEU A 138 -9.080 -6.821 -0.625 1.00 64.41 H new ATOM 0 HD13 LEU A 138 -8.004 -5.648 0.171 1.00 64.41 H new ATOM 0 HD21 LEU A 138 -8.007 -3.717 -2.273 1.00 20.51 H new ATOM 0 HD22 LEU A 138 -6.476 -4.143 -1.472 1.00 20.51 H new ATOM 0 HD23 LEU A 138 -6.681 -4.440 -3.214 1.00 20.51 H new ATOM 2081 N ALA A 139 -5.279 -9.332 -0.676 1.00 50.10 N ATOM 2082 CA ALA A 139 -4.620 -10.514 -1.122 1.00 14.32 C ATOM 2083 C ALA A 139 -4.911 -10.637 -2.604 1.00 53.41 C ATOM 2084 O ALA A 139 -6.082 -10.566 -3.008 1.00 0.41 O ATOM 2085 CB ALA A 139 -5.149 -11.719 -0.379 1.00 43.54 C ATOM 0 H ALA A 139 -6.150 -9.496 -0.171 1.00 50.10 H new ATOM 0 HA ALA A 139 -3.547 -10.462 -0.937 1.00 14.32 H new ATOM 0 HB1 ALA A 139 -4.637 -12.616 -0.729 1.00 43.54 H new ATOM 0 HB2 ALA A 139 -4.972 -11.594 0.689 1.00 43.54 H new ATOM 0 HB3 ALA A 139 -6.219 -11.818 -0.561 1.00 43.54 H new ATOM 2091 N GLY A 140 -3.891 -10.765 -3.400 1.00 20.54 N ATOM 2092 CA GLY A 140 -4.077 -10.828 -4.818 1.00 53.44 C ATOM 2093 C GLY A 140 -3.931 -12.234 -5.331 1.00 33.43 C ATOM 2094 O GLY A 140 -4.774 -13.088 -5.034 1.00 2.03 O ATOM 0 H GLY A 140 -2.921 -10.828 -3.091 1.00 20.54 H new ATOM 0 HA2 GLY A 140 -5.066 -10.447 -5.074 1.00 53.44 H new ATOM 0 HA3 GLY A 140 -3.350 -10.183 -5.310 1.00 53.44 H new ATOM 2098 N PRO A 141 -2.873 -12.529 -6.097 1.00 35.24 N ATOM 2099 CA PRO A 141 -2.645 -13.863 -6.615 1.00 62.44 C ATOM 2100 C PRO A 141 -2.278 -14.842 -5.511 1.00 43.30 C ATOM 2101 O PRO A 141 -1.568 -14.497 -4.545 1.00 34.21 O ATOM 2102 CB PRO A 141 -1.461 -13.715 -7.574 1.00 31.52 C ATOM 2103 CG PRO A 141 -1.245 -12.248 -7.740 1.00 1.32 C ATOM 2104 CD PRO A 141 -1.818 -11.591 -6.523 1.00 33.12 C ATOM 0 HA PRO A 141 -3.543 -14.254 -7.094 1.00 62.44 H new ATOM 0 HB2 PRO A 141 -0.570 -14.197 -7.171 1.00 31.52 H new ATOM 0 HB3 PRO A 141 -1.674 -14.189 -8.532 1.00 31.52 H new ATOM 0 HG2 PRO A 141 -0.183 -12.021 -7.839 1.00 1.32 H new ATOM 0 HG3 PRO A 141 -1.734 -11.884 -8.643 1.00 1.32 H new ATOM 0 HD2 PRO A 141 -1.065 -11.454 -5.747 1.00 33.12 H new ATOM 0 HD3 PRO A 141 -2.224 -10.605 -6.751 1.00 33.12 H new ATOM 2112 N ALA A 142 -2.760 -16.040 -5.645 1.00 53.03 N ATOM 2113 CA ALA A 142 -2.455 -17.103 -4.720 1.00 4.20 C ATOM 2114 C ALA A 142 -1.592 -18.129 -5.428 1.00 14.21 C ATOM 2115 O ALA A 142 -1.444 -19.265 -4.978 1.00 43.11 O ATOM 2116 CB ALA A 142 -3.736 -17.732 -4.193 1.00 33.55 C ATOM 0 H ALA A 142 -3.382 -16.316 -6.405 1.00 53.03 H new ATOM 0 HA ALA A 142 -1.910 -16.706 -3.863 1.00 4.20 H new ATOM 0 HB1 ALA A 142 -3.488 -18.533 -3.496 1.00 33.55 H new ATOM 0 HB2 ALA A 142 -4.329 -16.975 -3.680 1.00 33.55 H new ATOM 0 HB3 ALA A 142 -4.310 -18.140 -5.025 1.00 33.55 H new ATOM 2122 N GLU A 143 -1.015 -17.688 -6.521 1.00 10.10 N ATOM 2123 CA GLU A 143 -0.172 -18.456 -7.374 1.00 73.11 C ATOM 2124 C GLU A 143 1.149 -18.745 -6.677 1.00 11.23 C ATOM 2125 O GLU A 143 2.032 -17.867 -6.660 1.00 37.03 O ATOM 2126 CB GLU A 143 0.061 -17.650 -8.635 1.00 13.44 C ATOM 2127 CG GLU A 143 -1.198 -17.392 -9.448 1.00 60.15 C ATOM 2128 CD GLU A 143 -0.971 -16.401 -10.555 1.00 3.43 C ATOM 2129 OE1 GLU A 143 -0.181 -16.682 -11.474 1.00 34.45 O ATOM 2130 OE2 GLU A 143 -1.539 -15.300 -10.503 1.00 14.05 O ATOM 2131 OXT GLU A 143 1.311 -19.836 -6.128 1.00 37.03 O ATOM 0 H GLU A 143 -1.135 -16.729 -6.847 1.00 10.10 H new ATOM 0 HA GLU A 143 -0.638 -19.411 -7.617 1.00 73.11 H new ATOM 0 HB2 GLU A 143 0.508 -16.694 -8.365 1.00 13.44 H new ATOM 0 HB3 GLU A 143 0.783 -18.174 -9.260 1.00 13.44 H new ATOM 0 HG2 GLU A 143 -1.553 -18.332 -9.872 1.00 60.15 H new ATOM 0 HG3 GLU A 143 -1.984 -17.023 -8.789 1.00 60.15 H new