USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 940 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 73 ASN : amide:sc= -0.0794 K(o=-0.079,f=-3!) USER MOD Set 1.2: A 74 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 49 GLN : amide:sc= 0.216 K(o=1,f=-2) USER MOD Set 2.2: A 54 HIS : no HE2:sc= 0.819 K(o=1,f=-5.2!) USER MOD Single : A 29 THR OG1 : rot -69:sc= 1.67 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -167:sc= -0.0173 (180deg=-0.17) USER MOD Single : A 48 GLN : amide:sc= -0.313 K(o=-0.31,f=-2.7!) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.676 F(o=-2.4!,f=-0.68) USER MOD Single : A 72 THR OG1 : rot -63:sc= 0.6 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 139:sc= -0.0463 (180deg=-0.306) USER MOD Single : A 80 SER OG : rot 180:sc= 0.0293 USER MOD Single : A 86 THR OG1 : rot 58:sc= 1.26 USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 TYR OH : rot -105:sc= 0.732 USER MOD Single : A 96 THR OG1 : rot -40:sc= -0.559 USER MOD Single : A 99 MET CE :methyl -176:sc= -0.358 (180deg=-0.37) USER MOD Single : A 104 THR OG1 : rot 81:sc= 1.22 USER MOD Single : A 108 SER OG : rot 22:sc= 1.18 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0.0951 USER MOD Single : A 122 ASN : amide:sc= -1.31 K(o=-1.3,f=-3.6!) USER MOD Single : A 130 HIS : no HE2:sc= -0.0168 K(o=-0.0071,f=-0.76) USER MOD Single : A 132 HIS : no HD1:sc= -0.107 X(o=-0.11,f=-0.043) USER MOD Single : A 133 GLN : amide:sc= -0.0116 X(o=-0.012,f=-0.35) USER MOD Single : A 142 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 144 MET CE :methyl -127:sc= 0 (180deg=-1.02) USER MOD Single : A 146 TYR OH : rot 42:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 239 N ALA A 18 -8.536 5.755 -4.310 1.00 42.14 N ATOM 240 CA ALA A 18 -7.324 5.077 -4.654 1.00 62.34 C ATOM 241 C ALA A 18 -6.546 5.999 -5.548 1.00 4.42 C ATOM 242 O ALA A 18 -7.156 6.691 -6.397 1.00 20.34 O ATOM 243 CB ALA A 18 -7.652 3.784 -5.387 1.00 12.32 C ATOM 0 HA ALA A 18 -6.746 4.824 -3.765 1.00 62.34 H new ATOM 0 HB1 ALA A 18 -6.727 3.269 -5.648 1.00 12.32 H new ATOM 0 HB2 ALA A 18 -8.255 3.143 -4.743 1.00 12.32 H new ATOM 0 HB3 ALA A 18 -8.209 4.012 -6.296 1.00 12.32 H new ATOM 249 N GLY A 19 -5.263 6.067 -5.364 1.00 21.12 N ATOM 250 CA GLY A 19 -4.458 6.903 -6.186 1.00 22.31 C ATOM 251 C GLY A 19 -3.972 6.181 -7.413 1.00 12.03 C ATOM 252 O GLY A 19 -4.762 5.532 -8.131 1.00 62.20 O ATOM 0 H GLY A 19 -4.754 5.550 -4.648 1.00 21.12 H new ATOM 0 HA2 GLY A 19 -5.032 7.780 -6.484 1.00 22.31 H new ATOM 0 HA3 GLY A 19 -3.603 7.261 -5.613 1.00 22.31 H new ATOM 256 N ASP A 20 -2.701 6.246 -7.648 1.00 50.11 N ATOM 257 CA ASP A 20 -2.127 5.663 -8.832 1.00 15.14 C ATOM 258 C ASP A 20 -1.306 4.457 -8.455 1.00 51.23 C ATOM 259 O ASP A 20 -0.724 4.414 -7.374 1.00 11.53 O ATOM 260 CB ASP A 20 -1.293 6.694 -9.600 1.00 55.34 C ATOM 261 CG ASP A 20 -0.790 6.172 -10.926 1.00 43.14 C ATOM 262 OD1 ASP A 20 -1.499 5.359 -11.565 1.00 52.51 O ATOM 263 OD2 ASP A 20 0.282 6.622 -11.391 1.00 20.33 O ATOM 0 H ASP A 20 -2.028 6.701 -7.031 1.00 50.11 H new ATOM 0 HA ASP A 20 -2.929 5.341 -9.496 1.00 15.14 H new ATOM 0 HB2 ASP A 20 -1.895 7.586 -9.771 1.00 55.34 H new ATOM 0 HB3 ASP A 20 -0.443 6.995 -8.988 1.00 55.34 H new ATOM 268 N ASP A 21 -1.284 3.477 -9.321 1.00 72.21 N ATOM 269 CA ASP A 21 -0.583 2.239 -9.042 1.00 70.32 C ATOM 270 C ASP A 21 0.903 2.389 -9.245 1.00 52.24 C ATOM 271 O ASP A 21 1.368 2.790 -10.317 1.00 14.12 O ATOM 272 CB ASP A 21 -1.123 1.077 -9.873 1.00 72.42 C ATOM 273 CG ASP A 21 -0.370 -0.219 -9.615 1.00 33.45 C ATOM 274 OD1 ASP A 21 0.030 -0.465 -8.472 1.00 61.43 O ATOM 275 OD2 ASP A 21 -0.144 -0.994 -10.573 1.00 44.01 O ATOM 0 H ASP A 21 -1.744 3.508 -10.231 1.00 72.21 H new ATOM 0 HA ASP A 21 -0.762 2.007 -7.992 1.00 70.32 H new ATOM 0 HB2 ASP A 21 -2.179 0.932 -9.646 1.00 72.42 H new ATOM 0 HB3 ASP A 21 -1.056 1.329 -10.931 1.00 72.42 H new ATOM 280 N VAL A 22 1.633 2.056 -8.220 1.00 52.15 N ATOM 281 CA VAL A 22 3.075 2.152 -8.219 1.00 70.44 C ATOM 282 C VAL A 22 3.666 0.823 -8.708 1.00 11.31 C ATOM 283 O VAL A 22 4.839 0.740 -9.121 1.00 44.11 O ATOM 284 CB VAL A 22 3.600 2.469 -6.777 1.00 34.44 C ATOM 285 CG1 VAL A 22 5.111 2.684 -6.749 1.00 10.43 C ATOM 286 CG2 VAL A 22 2.881 3.682 -6.194 1.00 2.22 C ATOM 0 H VAL A 22 1.243 1.704 -7.346 1.00 52.15 H new ATOM 0 HA VAL A 22 3.382 2.960 -8.884 1.00 70.44 H new ATOM 0 HB VAL A 22 3.382 1.598 -6.160 1.00 34.44 H new ATOM 0 HG11 VAL A 22 5.429 2.901 -5.729 1.00 10.43 H new ATOM 0 HG12 VAL A 22 5.613 1.783 -7.102 1.00 10.43 H new ATOM 0 HG13 VAL A 22 5.371 3.522 -7.396 1.00 10.43 H new ATOM 0 HG21 VAL A 22 3.261 3.884 -5.193 1.00 2.22 H new ATOM 0 HG22 VAL A 22 3.056 4.549 -6.830 1.00 2.22 H new ATOM 0 HG23 VAL A 22 1.811 3.480 -6.142 1.00 2.22 H new ATOM 296 N LEU A 23 2.837 -0.189 -8.724 1.00 33.10 N ATOM 297 CA LEU A 23 3.260 -1.516 -9.056 1.00 23.44 C ATOM 298 C LEU A 23 3.271 -1.833 -10.528 1.00 43.45 C ATOM 299 O LEU A 23 2.882 -1.036 -11.396 1.00 63.51 O ATOM 300 CB LEU A 23 2.422 -2.566 -8.328 1.00 11.24 C ATOM 301 CG LEU A 23 2.753 -2.810 -6.876 1.00 53.34 C ATOM 302 CD1 LEU A 23 1.871 -3.898 -6.330 1.00 34.21 C ATOM 303 CD2 LEU A 23 4.182 -3.227 -6.777 1.00 13.42 C ATOM 0 H LEU A 23 1.844 -0.110 -8.505 1.00 33.10 H new ATOM 0 HA LEU A 23 4.297 -1.552 -8.722 1.00 23.44 H new ATOM 0 HB2 LEU A 23 1.375 -2.271 -8.393 1.00 11.24 H new ATOM 0 HB3 LEU A 23 2.521 -3.511 -8.863 1.00 11.24 H new ATOM 0 HG LEU A 23 2.589 -1.899 -6.300 1.00 53.34 H new ATOM 0 HD11 LEU A 23 2.113 -4.071 -5.281 1.00 34.21 H new ATOM 0 HD12 LEU A 23 0.827 -3.598 -6.416 1.00 34.21 H new ATOM 0 HD13 LEU A 23 2.032 -4.816 -6.896 1.00 34.21 H new ATOM 0 HD21 LEU A 23 4.437 -3.407 -5.733 1.00 13.42 H new ATOM 0 HD22 LEU A 23 4.335 -4.141 -7.351 1.00 13.42 H new ATOM 0 HD23 LEU A 23 4.820 -2.438 -7.175 1.00 13.42 H new ATOM 315 N ASP A 24 3.772 -3.007 -10.778 1.00 32.34 N ATOM 316 CA ASP A 24 3.795 -3.623 -12.060 1.00 31.51 C ATOM 317 C ASP A 24 2.729 -4.708 -12.041 1.00 74.51 C ATOM 318 O ASP A 24 2.537 -5.345 -11.002 1.00 21.21 O ATOM 319 CB ASP A 24 5.174 -4.249 -12.296 1.00 31.35 C ATOM 320 CG ASP A 24 5.278 -4.979 -13.606 1.00 1.33 C ATOM 321 OD1 ASP A 24 5.457 -4.317 -14.651 1.00 44.52 O ATOM 322 OD2 ASP A 24 5.186 -6.225 -13.614 1.00 73.11 O ATOM 0 H ASP A 24 4.196 -3.585 -10.052 1.00 32.34 H new ATOM 0 HA ASP A 24 3.604 -2.902 -12.855 1.00 31.51 H new ATOM 0 HB2 ASP A 24 5.932 -3.466 -12.263 1.00 31.35 H new ATOM 0 HB3 ASP A 24 5.395 -4.941 -11.483 1.00 31.35 H new ATOM 327 N PRO A 25 1.994 -4.917 -13.141 1.00 65.22 N ATOM 328 CA PRO A 25 0.942 -5.952 -13.220 1.00 21.21 C ATOM 329 C PRO A 25 1.423 -7.378 -12.877 1.00 51.33 C ATOM 330 O PRO A 25 0.636 -8.206 -12.397 1.00 14.21 O ATOM 331 CB PRO A 25 0.499 -5.890 -14.681 1.00 4.41 C ATOM 332 CG PRO A 25 0.811 -4.500 -15.106 1.00 45.43 C ATOM 333 CD PRO A 25 2.069 -4.126 -14.391 1.00 11.42 C ATOM 0 HA PRO A 25 0.156 -5.756 -12.491 1.00 21.21 H new ATOM 0 HB2 PRO A 25 1.033 -6.620 -15.289 1.00 4.41 H new ATOM 0 HB3 PRO A 25 -0.564 -6.107 -14.783 1.00 4.41 H new ATOM 0 HG2 PRO A 25 0.944 -4.442 -16.186 1.00 45.43 H new ATOM 0 HG3 PRO A 25 -0.002 -3.821 -14.848 1.00 45.43 H new ATOM 0 HD2 PRO A 25 2.954 -4.378 -14.975 1.00 11.42 H new ATOM 0 HD3 PRO A 25 2.115 -3.056 -14.189 1.00 11.42 H new ATOM 341 N ASP A 26 2.706 -7.649 -13.093 1.00 51.35 N ATOM 342 CA ASP A 26 3.257 -8.990 -12.865 1.00 13.52 C ATOM 343 C ASP A 26 3.799 -9.119 -11.437 1.00 70.52 C ATOM 344 O ASP A 26 4.076 -10.228 -10.947 1.00 23.30 O ATOM 345 CB ASP A 26 4.349 -9.289 -13.898 1.00 22.43 C ATOM 346 CG ASP A 26 4.870 -10.710 -13.864 1.00 1.14 C ATOM 347 OD1 ASP A 26 4.206 -11.608 -14.423 1.00 11.14 O ATOM 348 OD2 ASP A 26 5.999 -10.949 -13.347 1.00 73.33 O ATOM 0 H ASP A 26 3.385 -6.964 -13.424 1.00 51.35 H new ATOM 0 HA ASP A 26 2.459 -9.723 -12.983 1.00 13.52 H new ATOM 0 HB2 ASP A 26 3.956 -9.083 -14.894 1.00 22.43 H new ATOM 0 HB3 ASP A 26 5.182 -8.605 -13.736 1.00 22.43 H new ATOM 353 N GLU A 27 3.948 -7.990 -10.761 1.00 30.52 N ATOM 354 CA GLU A 27 4.372 -7.988 -9.377 1.00 73.20 C ATOM 355 C GLU A 27 3.131 -8.368 -8.567 1.00 62.11 C ATOM 356 O GLU A 27 2.051 -7.808 -8.817 1.00 41.35 O ATOM 357 CB GLU A 27 4.883 -6.584 -8.976 1.00 33.20 C ATOM 358 CG GLU A 27 5.445 -6.445 -7.546 1.00 3.25 C ATOM 359 CD GLU A 27 6.794 -7.098 -7.316 1.00 2.22 C ATOM 360 OE1 GLU A 27 7.825 -6.516 -7.719 1.00 32.44 O ATOM 361 OE2 GLU A 27 6.867 -8.149 -6.672 1.00 14.24 O ATOM 0 H GLU A 27 3.780 -7.063 -11.153 1.00 30.52 H new ATOM 0 HA GLU A 27 5.191 -8.685 -9.200 1.00 73.20 H new ATOM 0 HB2 GLU A 27 5.661 -6.289 -9.680 1.00 33.20 H new ATOM 0 HB3 GLU A 27 4.063 -5.875 -9.092 1.00 33.20 H new ATOM 0 HG2 GLU A 27 5.527 -5.385 -7.307 1.00 3.25 H new ATOM 0 HG3 GLU A 27 4.727 -6.875 -6.847 1.00 3.25 H new ATOM 368 N PRO A 28 3.258 -9.367 -7.661 1.00 22.02 N ATOM 369 CA PRO A 28 2.166 -9.910 -6.839 1.00 24.24 C ATOM 370 C PRO A 28 1.058 -8.904 -6.463 1.00 4.24 C ATOM 371 O PRO A 28 1.248 -7.997 -5.622 1.00 32.24 O ATOM 372 CB PRO A 28 2.912 -10.385 -5.602 1.00 3.21 C ATOM 373 CG PRO A 28 4.201 -10.897 -6.134 1.00 35.41 C ATOM 374 CD PRO A 28 4.520 -10.081 -7.365 1.00 1.35 C ATOM 0 HA PRO A 28 1.609 -10.677 -7.378 1.00 24.24 H new ATOM 0 HB2 PRO A 28 3.068 -9.572 -4.893 1.00 3.21 H new ATOM 0 HB3 PRO A 28 2.359 -11.164 -5.077 1.00 3.21 H new ATOM 0 HG2 PRO A 28 4.992 -10.800 -5.390 1.00 35.41 H new ATOM 0 HG3 PRO A 28 4.124 -11.956 -6.381 1.00 35.41 H new ATOM 0 HD2 PRO A 28 5.338 -9.385 -7.181 1.00 1.35 H new ATOM 0 HD3 PRO A 28 4.823 -10.716 -8.197 1.00 1.35 H new ATOM 382 N THR A 29 -0.084 -9.056 -7.089 1.00 3.54 N ATOM 383 CA THR A 29 -1.207 -8.199 -6.849 1.00 41.32 C ATOM 384 C THR A 29 -2.509 -8.985 -6.646 1.00 31.41 C ATOM 385 O THR A 29 -2.633 -10.147 -7.053 1.00 12.20 O ATOM 386 CB THR A 29 -1.363 -7.138 -7.968 1.00 31.12 C ATOM 387 OG1 THR A 29 -0.674 -7.558 -9.177 1.00 33.21 O ATOM 388 CG2 THR A 29 -0.842 -5.788 -7.518 1.00 20.13 C ATOM 0 H THR A 29 -0.256 -9.784 -7.783 1.00 3.54 H new ATOM 0 HA THR A 29 -1.003 -7.674 -5.916 1.00 41.32 H new ATOM 0 HB THR A 29 -2.427 -7.042 -8.185 1.00 31.12 H new ATOM 0 HG1 THR A 29 0.294 -7.538 -9.026 1.00 33.21 H new ATOM 0 HG21 THR A 29 -0.964 -5.064 -8.323 1.00 20.13 H new ATOM 0 HG22 THR A 29 -1.401 -5.456 -6.643 1.00 20.13 H new ATOM 0 HG23 THR A 29 0.214 -5.872 -7.263 1.00 20.13 H new ATOM 396 N TYR A 30 -3.421 -8.358 -5.962 1.00 73.13 N ATOM 397 CA TYR A 30 -4.745 -8.855 -5.676 1.00 54.02 C ATOM 398 C TYR A 30 -5.728 -7.796 -6.050 1.00 43.11 C ATOM 399 O TYR A 30 -5.355 -6.638 -6.192 1.00 51.53 O ATOM 400 CB TYR A 30 -4.950 -9.184 -4.197 1.00 62.33 C ATOM 401 CG TYR A 30 -4.274 -10.428 -3.718 1.00 61.54 C ATOM 402 CD1 TYR A 30 -4.438 -11.625 -4.391 1.00 51.45 C ATOM 403 CD2 TYR A 30 -3.504 -10.420 -2.577 1.00 34.03 C ATOM 404 CE1 TYR A 30 -3.845 -12.774 -3.945 1.00 21.23 C ATOM 405 CE2 TYR A 30 -2.905 -11.566 -2.121 1.00 71.53 C ATOM 406 CZ TYR A 30 -3.079 -12.744 -2.812 1.00 51.20 C ATOM 407 OH TYR A 30 -2.478 -13.892 -2.369 1.00 74.43 O ATOM 0 H TYR A 30 -3.256 -7.433 -5.564 1.00 73.13 H new ATOM 0 HA TYR A 30 -4.882 -9.775 -6.245 1.00 54.02 H new ATOM 0 HB2 TYR A 30 -4.592 -8.344 -3.602 1.00 62.33 H new ATOM 0 HB3 TYR A 30 -6.019 -9.276 -4.007 1.00 62.33 H new ATOM 0 HD1 TYR A 30 -5.045 -11.653 -5.284 1.00 51.45 H new ATOM 0 HD2 TYR A 30 -3.370 -9.497 -2.033 1.00 34.03 H new ATOM 0 HE1 TYR A 30 -3.981 -13.700 -4.484 1.00 21.23 H new ATOM 0 HE2 TYR A 30 -2.301 -11.545 -1.226 1.00 71.53 H new ATOM 0 HH TYR A 30 -1.969 -13.701 -1.553 1.00 74.43 H new ATOM 417 N ASP A 31 -6.946 -8.168 -6.218 1.00 21.34 N ATOM 418 CA ASP A 31 -7.995 -7.223 -6.499 1.00 22.13 C ATOM 419 C ASP A 31 -9.157 -7.602 -5.615 1.00 54.35 C ATOM 420 O ASP A 31 -9.088 -8.645 -4.957 1.00 31.34 O ATOM 421 CB ASP A 31 -8.392 -7.217 -7.994 1.00 71.54 C ATOM 422 CG ASP A 31 -9.197 -8.414 -8.450 1.00 52.33 C ATOM 423 OD1 ASP A 31 -8.674 -9.537 -8.462 1.00 30.50 O ATOM 424 OD2 ASP A 31 -10.368 -8.234 -8.811 1.00 71.11 O ATOM 0 H ASP A 31 -7.257 -9.138 -6.167 1.00 21.34 H new ATOM 0 HA ASP A 31 -7.660 -6.207 -6.291 1.00 22.13 H new ATOM 0 HB2 ASP A 31 -8.967 -6.314 -8.197 1.00 71.54 H new ATOM 0 HB3 ASP A 31 -7.484 -7.159 -8.595 1.00 71.54 H new ATOM 429 N LEU A 32 -10.192 -6.773 -5.580 1.00 55.33 N ATOM 430 CA LEU A 32 -11.307 -6.903 -4.605 1.00 42.11 C ATOM 431 C LEU A 32 -11.834 -8.349 -4.365 1.00 45.54 C ATOM 432 O LEU A 32 -11.745 -8.835 -3.225 1.00 3.40 O ATOM 433 CB LEU A 32 -12.438 -5.891 -4.880 1.00 63.14 C ATOM 434 CG LEU A 32 -12.051 -4.403 -4.783 1.00 41.21 C ATOM 435 CD1 LEU A 32 -13.250 -3.519 -5.077 1.00 31.21 C ATOM 436 CD2 LEU A 32 -11.478 -4.076 -3.405 1.00 31.01 C ATOM 0 H LEU A 32 -10.298 -5.986 -6.220 1.00 55.33 H new ATOM 0 HA LEU A 32 -10.854 -6.643 -3.648 1.00 42.11 H new ATOM 0 HB2 LEU A 32 -12.832 -6.079 -5.879 1.00 63.14 H new ATOM 0 HB3 LEU A 32 -13.248 -6.082 -4.176 1.00 63.14 H new ATOM 0 HG LEU A 32 -11.281 -4.207 -5.529 1.00 41.21 H new ATOM 0 HD11 LEU A 32 -12.957 -2.472 -5.004 1.00 31.21 H new ATOM 0 HD12 LEU A 32 -13.615 -3.724 -6.083 1.00 31.21 H new ATOM 0 HD13 LEU A 32 -14.040 -3.726 -4.355 1.00 31.21 H new ATOM 0 HD21 LEU A 32 -11.213 -3.020 -3.363 1.00 31.01 H new ATOM 0 HD22 LEU A 32 -12.223 -4.294 -2.640 1.00 31.01 H new ATOM 0 HD23 LEU A 32 -10.589 -4.681 -3.228 1.00 31.01 H new ATOM 448 N PRO A 33 -12.370 -9.070 -5.396 1.00 1.32 N ATOM 449 CA PRO A 33 -12.827 -10.454 -5.220 1.00 22.32 C ATOM 450 C PRO A 33 -11.715 -11.388 -4.719 1.00 23.21 C ATOM 451 O PRO A 33 -11.967 -12.269 -3.921 1.00 51.43 O ATOM 452 CB PRO A 33 -13.290 -10.888 -6.616 1.00 14.05 C ATOM 453 CG PRO A 33 -12.765 -9.867 -7.551 1.00 0.21 C ATOM 454 CD PRO A 33 -12.632 -8.599 -6.765 1.00 60.31 C ATOM 0 HA PRO A 33 -13.612 -10.509 -4.466 1.00 22.32 H new ATOM 0 HB2 PRO A 33 -12.908 -11.878 -6.864 1.00 14.05 H new ATOM 0 HB3 PRO A 33 -14.377 -10.943 -6.668 1.00 14.05 H new ATOM 0 HG2 PRO A 33 -11.802 -10.173 -7.959 1.00 0.21 H new ATOM 0 HG3 PRO A 33 -13.440 -9.731 -8.396 1.00 0.21 H new ATOM 0 HD2 PRO A 33 -11.818 -7.979 -7.139 1.00 60.31 H new ATOM 0 HD3 PRO A 33 -13.540 -7.998 -6.816 1.00 60.31 H new ATOM 462 N ARG A 34 -10.477 -11.152 -5.156 1.00 13.05 N ATOM 463 CA ARG A 34 -9.343 -11.991 -4.737 1.00 32.21 C ATOM 464 C ARG A 34 -8.992 -11.778 -3.283 1.00 62.14 C ATOM 465 O ARG A 34 -8.609 -12.709 -2.593 1.00 73.42 O ATOM 466 CB ARG A 34 -8.097 -11.802 -5.615 1.00 33.22 C ATOM 467 CG ARG A 34 -8.053 -12.666 -6.869 1.00 54.41 C ATOM 468 CD ARG A 34 -9.227 -12.415 -7.778 1.00 41.10 C ATOM 469 NE ARG A 34 -9.114 -13.157 -9.027 1.00 34.34 N ATOM 470 CZ ARG A 34 -9.345 -12.647 -10.239 1.00 51.02 C ATOM 471 NH1 ARG A 34 -9.465 -11.318 -10.405 1.00 61.02 N ATOM 472 NH2 ARG A 34 -9.362 -13.452 -11.292 1.00 22.44 N ATOM 0 H ARG A 34 -10.231 -10.395 -5.794 1.00 13.05 H new ATOM 0 HA ARG A 34 -9.680 -13.019 -4.868 1.00 32.21 H new ATOM 0 HB2 ARG A 34 -8.036 -10.755 -5.912 1.00 33.22 H new ATOM 0 HB3 ARG A 34 -7.213 -12.015 -5.014 1.00 33.22 H new ATOM 0 HG2 ARG A 34 -7.128 -12.469 -7.411 1.00 54.41 H new ATOM 0 HG3 ARG A 34 -8.037 -13.718 -6.583 1.00 54.41 H new ATOM 0 HD2 ARG A 34 -10.148 -12.699 -7.269 1.00 41.10 H new ATOM 0 HD3 ARG A 34 -9.298 -11.349 -7.994 1.00 41.10 H new ATOM 0 HE ARG A 34 -8.838 -14.137 -8.971 1.00 34.34 H new ATOM 0 HH11 ARG A 34 -9.380 -10.694 -9.603 1.00 61.02 H new ATOM 0 HH12 ARG A 34 -9.641 -10.934 -11.333 1.00 61.02 H new ATOM 0 HH21 ARG A 34 -9.199 -14.452 -11.172 1.00 22.44 H new ATOM 0 HH22 ARG A 34 -9.538 -13.072 -12.222 1.00 22.44 H new ATOM 486 N VAL A 35 -9.114 -10.558 -2.816 1.00 35.31 N ATOM 487 CA VAL A 35 -8.855 -10.276 -1.418 1.00 71.15 C ATOM 488 C VAL A 35 -9.948 -10.895 -0.560 1.00 74.24 C ATOM 489 O VAL A 35 -9.672 -11.519 0.474 1.00 3.44 O ATOM 490 CB VAL A 35 -8.701 -8.762 -1.124 1.00 41.35 C ATOM 491 CG1 VAL A 35 -8.452 -8.512 0.356 1.00 64.45 C ATOM 492 CG2 VAL A 35 -7.571 -8.180 -1.949 1.00 53.25 C ATOM 0 H VAL A 35 -9.388 -9.750 -3.374 1.00 35.31 H new ATOM 0 HA VAL A 35 -7.896 -10.727 -1.165 1.00 71.15 H new ATOM 0 HB VAL A 35 -9.633 -8.269 -1.399 1.00 41.35 H new ATOM 0 HG11 VAL A 35 -8.348 -7.441 0.532 1.00 64.45 H new ATOM 0 HG12 VAL A 35 -9.292 -8.895 0.936 1.00 64.45 H new ATOM 0 HG13 VAL A 35 -7.538 -9.020 0.662 1.00 64.45 H new ATOM 0 HG21 VAL A 35 -7.473 -7.116 -1.733 1.00 53.25 H new ATOM 0 HG22 VAL A 35 -6.639 -8.688 -1.699 1.00 53.25 H new ATOM 0 HG23 VAL A 35 -7.786 -8.317 -3.009 1.00 53.25 H new ATOM 502 N ALA A 36 -11.175 -10.768 -1.030 1.00 64.44 N ATOM 503 CA ALA A 36 -12.323 -11.355 -0.371 1.00 13.25 C ATOM 504 C ALA A 36 -12.171 -12.880 -0.325 1.00 31.31 C ATOM 505 O ALA A 36 -12.485 -13.525 0.685 1.00 71.15 O ATOM 506 CB ALA A 36 -13.598 -10.962 -1.107 1.00 65.21 C ATOM 0 H ALA A 36 -11.402 -10.254 -1.881 1.00 64.44 H new ATOM 0 HA ALA A 36 -12.385 -10.982 0.651 1.00 13.25 H new ATOM 0 HB1 ALA A 36 -14.459 -11.406 -0.607 1.00 65.21 H new ATOM 0 HB2 ALA A 36 -13.699 -9.877 -1.106 1.00 65.21 H new ATOM 0 HB3 ALA A 36 -13.550 -11.321 -2.135 1.00 65.21 H new ATOM 512 N GLU A 37 -11.660 -13.423 -1.419 1.00 31.10 N ATOM 513 CA GLU A 37 -11.386 -14.847 -1.594 1.00 52.21 C ATOM 514 C GLU A 37 -10.333 -15.299 -0.584 1.00 53.33 C ATOM 515 O GLU A 37 -10.492 -16.301 0.109 1.00 11.41 O ATOM 516 CB GLU A 37 -10.775 -15.001 -2.987 1.00 23.15 C ATOM 517 CG GLU A 37 -10.598 -16.414 -3.504 1.00 71.10 C ATOM 518 CD GLU A 37 -11.896 -17.091 -3.819 1.00 23.22 C ATOM 519 OE1 GLU A 37 -12.650 -16.577 -4.674 1.00 33.54 O ATOM 520 OE2 GLU A 37 -12.154 -18.185 -3.274 1.00 21.10 O ATOM 0 H GLU A 37 -11.415 -12.868 -2.239 1.00 31.10 H new ATOM 0 HA GLU A 37 -12.297 -15.431 -1.463 1.00 52.21 H new ATOM 0 HB2 GLU A 37 -11.401 -14.457 -3.694 1.00 23.15 H new ATOM 0 HB3 GLU A 37 -9.799 -14.515 -2.985 1.00 23.15 H new ATOM 0 HG2 GLU A 37 -9.980 -16.391 -4.401 1.00 71.10 H new ATOM 0 HG3 GLU A 37 -10.060 -17.002 -2.761 1.00 71.10 H new ATOM 527 N LEU A 38 -9.291 -14.504 -0.481 1.00 31.02 N ATOM 528 CA LEU A 38 -8.127 -14.806 0.313 1.00 61.53 C ATOM 529 C LEU A 38 -8.433 -14.733 1.803 1.00 33.13 C ATOM 530 O LEU A 38 -8.060 -15.621 2.565 1.00 51.21 O ATOM 531 CB LEU A 38 -7.019 -13.811 -0.038 1.00 73.41 C ATOM 532 CG LEU A 38 -5.640 -14.074 0.549 1.00 42.14 C ATOM 533 CD1 LEU A 38 -5.006 -15.312 -0.075 1.00 14.12 C ATOM 534 CD2 LEU A 38 -4.758 -12.862 0.362 1.00 54.50 C ATOM 0 H LEU A 38 -9.231 -13.606 -0.961 1.00 31.02 H new ATOM 0 HA LEU A 38 -7.808 -15.824 0.091 1.00 61.53 H new ATOM 0 HB2 LEU A 38 -6.924 -13.779 -1.123 1.00 73.41 H new ATOM 0 HB3 LEU A 38 -7.340 -12.820 0.283 1.00 73.41 H new ATOM 0 HG LEU A 38 -5.749 -14.264 1.617 1.00 42.14 H new ATOM 0 HD11 LEU A 38 -4.021 -15.476 0.363 1.00 14.12 H new ATOM 0 HD12 LEU A 38 -5.638 -16.180 0.116 1.00 14.12 H new ATOM 0 HD13 LEU A 38 -4.905 -15.166 -1.150 1.00 14.12 H new ATOM 0 HD21 LEU A 38 -3.773 -13.060 0.785 1.00 54.50 H new ATOM 0 HD22 LEU A 38 -4.659 -12.645 -0.702 1.00 54.50 H new ATOM 0 HD23 LEU A 38 -5.205 -12.006 0.867 1.00 54.50 H new ATOM 546 N LEU A 39 -9.114 -13.686 2.213 1.00 72.22 N ATOM 547 CA LEU A 39 -9.395 -13.480 3.626 1.00 44.44 C ATOM 548 C LEU A 39 -10.631 -14.234 4.087 1.00 61.44 C ATOM 549 O LEU A 39 -10.786 -14.500 5.291 1.00 5.43 O ATOM 550 CB LEU A 39 -9.535 -11.991 3.935 1.00 70.43 C ATOM 551 CG LEU A 39 -8.296 -11.118 3.705 1.00 11.35 C ATOM 552 CD1 LEU A 39 -8.627 -9.661 3.976 1.00 34.40 C ATOM 553 CD2 LEU A 39 -7.140 -11.572 4.589 1.00 51.21 C ATOM 0 H LEU A 39 -9.484 -12.964 1.595 1.00 72.22 H new ATOM 0 HA LEU A 39 -8.547 -13.882 4.180 1.00 44.44 H new ATOM 0 HB2 LEU A 39 -10.348 -11.593 3.328 1.00 70.43 H new ATOM 0 HB3 LEU A 39 -9.835 -11.887 4.978 1.00 70.43 H new ATOM 0 HG LEU A 39 -7.989 -11.224 2.664 1.00 11.35 H new ATOM 0 HD11 LEU A 39 -7.740 -9.049 3.810 1.00 34.40 H new ATOM 0 HD12 LEU A 39 -9.422 -9.337 3.304 1.00 34.40 H new ATOM 0 HD13 LEU A 39 -8.957 -9.549 5.009 1.00 34.40 H new ATOM 0 HD21 LEU A 39 -6.272 -10.937 4.408 1.00 51.21 H new ATOM 0 HD22 LEU A 39 -7.432 -11.497 5.637 1.00 51.21 H new ATOM 0 HD23 LEU A 39 -6.888 -12.606 4.356 1.00 51.21 H new ATOM 565 N GLY A 40 -11.471 -14.623 3.145 1.00 11.41 N ATOM 566 CA GLY A 40 -12.701 -15.315 3.479 1.00 51.12 C ATOM 567 C GLY A 40 -13.730 -14.349 4.026 1.00 21.22 C ATOM 568 O GLY A 40 -14.579 -14.712 4.858 1.00 12.31 O ATOM 0 H GLY A 40 -11.324 -14.472 2.147 1.00 11.41 H new ATOM 0 HA2 GLY A 40 -13.096 -15.811 2.593 1.00 51.12 H new ATOM 0 HA3 GLY A 40 -12.498 -16.092 4.216 1.00 51.12 H new ATOM 572 N VAL A 41 -13.642 -13.116 3.573 1.00 45.44 N ATOM 573 CA VAL A 41 -14.521 -12.050 4.029 1.00 74.14 C ATOM 574 C VAL A 41 -15.176 -11.386 2.827 1.00 62.35 C ATOM 575 O VAL A 41 -14.739 -11.612 1.710 1.00 10.12 O ATOM 576 CB VAL A 41 -13.753 -10.978 4.871 1.00 22.40 C ATOM 577 CG1 VAL A 41 -13.037 -11.609 6.054 1.00 42.04 C ATOM 578 CG2 VAL A 41 -12.788 -10.159 4.016 1.00 61.12 C ATOM 0 H VAL A 41 -12.958 -12.820 2.876 1.00 45.44 H new ATOM 0 HA VAL A 41 -15.279 -12.494 4.674 1.00 74.14 H new ATOM 0 HB VAL A 41 -14.501 -10.288 5.262 1.00 22.40 H new ATOM 0 HG11 VAL A 41 -12.514 -10.836 6.617 1.00 42.04 H new ATOM 0 HG12 VAL A 41 -13.765 -12.099 6.701 1.00 42.04 H new ATOM 0 HG13 VAL A 41 -12.318 -12.345 5.694 1.00 42.04 H new ATOM 0 HG21 VAL A 41 -12.277 -9.428 4.643 1.00 61.12 H new ATOM 0 HG22 VAL A 41 -12.053 -10.822 3.560 1.00 61.12 H new ATOM 0 HG23 VAL A 41 -13.344 -9.642 3.234 1.00 61.12 H new ATOM 588 N PRO A 42 -16.252 -10.602 3.009 1.00 13.43 N ATOM 589 CA PRO A 42 -16.874 -9.894 1.906 1.00 63.05 C ATOM 590 C PRO A 42 -16.082 -8.648 1.526 1.00 73.33 C ATOM 591 O PRO A 42 -15.252 -8.146 2.317 1.00 31.51 O ATOM 592 CB PRO A 42 -18.256 -9.485 2.431 1.00 31.52 C ATOM 593 CG PRO A 42 -18.347 -9.995 3.832 1.00 30.31 C ATOM 594 CD PRO A 42 -16.958 -10.363 4.270 1.00 23.45 C ATOM 0 HA PRO A 42 -16.923 -10.517 1.013 1.00 63.05 H new ATOM 0 HB2 PRO A 42 -18.376 -8.402 2.404 1.00 31.52 H new ATOM 0 HB3 PRO A 42 -19.047 -9.909 1.812 1.00 31.52 H new ATOM 0 HG2 PRO A 42 -18.768 -9.235 4.490 1.00 30.31 H new ATOM 0 HG3 PRO A 42 -19.007 -10.861 3.883 1.00 30.31 H new ATOM 0 HD2 PRO A 42 -16.493 -9.562 4.844 1.00 23.45 H new ATOM 0 HD3 PRO A 42 -16.959 -11.250 4.903 1.00 23.45 H new ATOM 602 N VAL A 43 -16.377 -8.123 0.356 1.00 33.22 N ATOM 603 CA VAL A 43 -15.717 -6.939 -0.174 1.00 70.34 C ATOM 604 C VAL A 43 -15.994 -5.752 0.741 1.00 14.12 C ATOM 605 O VAL A 43 -15.134 -4.906 0.957 1.00 15.32 O ATOM 606 CB VAL A 43 -16.217 -6.628 -1.607 1.00 73.12 C ATOM 607 CG1 VAL A 43 -15.500 -5.420 -2.207 1.00 24.13 C ATOM 608 CG2 VAL A 43 -16.051 -7.848 -2.498 1.00 75.32 C ATOM 0 H VAL A 43 -17.089 -8.507 -0.265 1.00 33.22 H new ATOM 0 HA VAL A 43 -14.644 -7.125 -0.218 1.00 70.34 H new ATOM 0 HB VAL A 43 -17.276 -6.378 -1.543 1.00 73.12 H new ATOM 0 HG11 VAL A 43 -15.879 -5.234 -3.212 1.00 24.13 H new ATOM 0 HG12 VAL A 43 -15.680 -4.544 -1.584 1.00 24.13 H new ATOM 0 HG13 VAL A 43 -14.429 -5.619 -2.254 1.00 24.13 H new ATOM 0 HG21 VAL A 43 -16.406 -7.616 -3.502 1.00 75.32 H new ATOM 0 HG22 VAL A 43 -14.998 -8.127 -2.541 1.00 75.32 H new ATOM 0 HG23 VAL A 43 -16.630 -8.677 -2.091 1.00 75.32 H new ATOM 618 N SER A 44 -17.185 -5.737 1.311 1.00 11.41 N ATOM 619 CA SER A 44 -17.586 -4.720 2.250 1.00 20.41 C ATOM 620 C SER A 44 -16.648 -4.668 3.477 1.00 12.13 C ATOM 621 O SER A 44 -16.311 -3.590 3.949 1.00 52.13 O ATOM 622 CB SER A 44 -19.020 -4.969 2.660 1.00 4.44 C ATOM 623 OG SER A 44 -19.871 -4.930 1.521 1.00 23.41 O ATOM 0 H SER A 44 -17.903 -6.439 1.130 1.00 11.41 H new ATOM 0 HA SER A 44 -17.512 -3.745 1.768 1.00 20.41 H new ATOM 0 HB2 SER A 44 -19.102 -5.939 3.151 1.00 4.44 H new ATOM 0 HB3 SER A 44 -19.335 -4.217 3.384 1.00 4.44 H new ATOM 0 HG SER A 44 -20.796 -5.094 1.798 1.00 23.41 H new ATOM 629 N LYS A 45 -16.201 -5.832 3.968 1.00 70.24 N ATOM 630 CA LYS A 45 -15.275 -5.853 5.098 1.00 23.15 C ATOM 631 C LYS A 45 -13.912 -5.320 4.674 1.00 20.30 C ATOM 632 O LYS A 45 -13.253 -4.607 5.425 1.00 2.21 O ATOM 633 CB LYS A 45 -15.156 -7.244 5.746 1.00 2.40 C ATOM 634 CG LYS A 45 -14.185 -7.268 6.932 1.00 65.12 C ATOM 635 CD LYS A 45 -14.175 -8.595 7.679 1.00 10.34 C ATOM 636 CE LYS A 45 -15.446 -8.825 8.495 1.00 13.44 C ATOM 637 NZ LYS A 45 -15.625 -7.830 9.586 1.00 5.33 N ATOM 0 H LYS A 45 -16.461 -6.750 3.607 1.00 70.24 H new ATOM 0 HA LYS A 45 -15.686 -5.197 5.865 1.00 23.15 H new ATOM 0 HB2 LYS A 45 -16.141 -7.568 6.083 1.00 2.40 H new ATOM 0 HB3 LYS A 45 -14.823 -7.962 4.996 1.00 2.40 H new ATOM 0 HG2 LYS A 45 -13.178 -7.055 6.572 1.00 65.12 H new ATOM 0 HG3 LYS A 45 -14.451 -6.471 7.626 1.00 65.12 H new ATOM 0 HD2 LYS A 45 -14.056 -9.409 6.963 1.00 10.34 H new ATOM 0 HD3 LYS A 45 -13.312 -8.626 8.344 1.00 10.34 H new ATOM 0 HE2 LYS A 45 -16.309 -8.787 7.831 1.00 13.44 H new ATOM 0 HE3 LYS A 45 -15.419 -9.826 8.925 1.00 13.44 H new ATOM 0 HZ1 LYS A 45 -16.369 -8.156 10.235 1.00 5.33 H new ATOM 0 HZ2 LYS A 45 -14.732 -7.723 10.109 1.00 5.33 H new ATOM 0 HZ3 LYS A 45 -15.899 -6.913 9.178 1.00 5.33 H new ATOM 651 N VAL A 46 -13.512 -5.650 3.457 1.00 10.40 N ATOM 652 CA VAL A 46 -12.250 -5.157 2.902 1.00 12.41 C ATOM 653 C VAL A 46 -12.326 -3.640 2.771 1.00 53.20 C ATOM 654 O VAL A 46 -11.394 -2.929 3.132 1.00 44.54 O ATOM 655 CB VAL A 46 -11.941 -5.789 1.516 1.00 51.12 C ATOM 656 CG1 VAL A 46 -10.615 -5.284 0.966 1.00 54.13 C ATOM 657 CG2 VAL A 46 -11.940 -7.309 1.602 1.00 23.14 C ATOM 0 H VAL A 46 -14.039 -6.257 2.830 1.00 10.40 H new ATOM 0 HA VAL A 46 -11.444 -5.442 3.579 1.00 12.41 H new ATOM 0 HB VAL A 46 -12.730 -5.484 0.828 1.00 51.12 H new ATOM 0 HG11 VAL A 46 -10.425 -5.743 -0.004 1.00 54.13 H new ATOM 0 HG12 VAL A 46 -10.657 -4.201 0.853 1.00 54.13 H new ATOM 0 HG13 VAL A 46 -9.812 -5.546 1.655 1.00 54.13 H new ATOM 0 HG21 VAL A 46 -11.721 -7.729 0.620 1.00 23.14 H new ATOM 0 HG22 VAL A 46 -11.179 -7.633 2.313 1.00 23.14 H new ATOM 0 HG23 VAL A 46 -12.918 -7.655 1.935 1.00 23.14 H new ATOM 667 N ALA A 47 -13.474 -3.168 2.310 1.00 72.33 N ATOM 668 CA ALA A 47 -13.757 -1.755 2.161 1.00 65.13 C ATOM 669 C ALA A 47 -13.630 -1.041 3.498 1.00 11.55 C ATOM 670 O ALA A 47 -13.188 0.100 3.561 1.00 63.10 O ATOM 671 CB ALA A 47 -15.152 -1.565 1.600 1.00 61.21 C ATOM 0 H ALA A 47 -14.247 -3.770 2.025 1.00 72.33 H new ATOM 0 HA ALA A 47 -13.032 -1.325 1.470 1.00 65.13 H new ATOM 0 HB1 ALA A 47 -15.358 -0.500 1.491 1.00 61.21 H new ATOM 0 HB2 ALA A 47 -15.222 -2.050 0.626 1.00 61.21 H new ATOM 0 HB3 ALA A 47 -15.881 -2.008 2.279 1.00 61.21 H new ATOM 677 N GLN A 48 -14.036 -1.712 4.559 1.00 63.03 N ATOM 678 CA GLN A 48 -13.915 -1.175 5.905 1.00 43.11 C ATOM 679 C GLN A 48 -12.459 -1.055 6.301 1.00 33.34 C ATOM 680 O GLN A 48 -12.032 -0.015 6.775 1.00 14.13 O ATOM 681 CB GLN A 48 -14.669 -2.032 6.908 1.00 41.15 C ATOM 682 CG GLN A 48 -16.168 -1.975 6.751 1.00 32.40 C ATOM 683 CD GLN A 48 -16.873 -2.906 7.693 1.00 34.33 C ATOM 684 OE1 GLN A 48 -17.151 -4.060 7.357 1.00 52.02 O ATOM 685 NE2 GLN A 48 -17.162 -2.437 8.873 1.00 62.43 N ATOM 0 H GLN A 48 -14.457 -2.640 4.515 1.00 63.03 H new ATOM 0 HA GLN A 48 -14.361 -0.180 5.910 1.00 43.11 H new ATOM 0 HB2 GLN A 48 -14.341 -3.067 6.807 1.00 41.15 H new ATOM 0 HB3 GLN A 48 -14.406 -1.712 7.916 1.00 41.15 H new ATOM 0 HG2 GLN A 48 -16.511 -0.955 6.926 1.00 32.40 H new ATOM 0 HG3 GLN A 48 -16.434 -2.229 5.725 1.00 32.40 H new ATOM 0 HE21 GLN A 48 -16.916 -1.477 9.115 1.00 62.43 H new ATOM 0 HE22 GLN A 48 -17.634 -3.030 9.556 1.00 62.43 H new ATOM 694 N GLN A 49 -11.692 -2.108 6.044 1.00 5.43 N ATOM 695 CA GLN A 49 -10.262 -2.126 6.357 1.00 2.33 C ATOM 696 C GLN A 49 -9.554 -1.002 5.627 1.00 4.23 C ATOM 697 O GLN A 49 -8.804 -0.215 6.229 1.00 1.34 O ATOM 698 CB GLN A 49 -9.639 -3.470 5.975 1.00 23.40 C ATOM 699 CG GLN A 49 -10.283 -4.638 6.673 1.00 13.42 C ATOM 700 CD GLN A 49 -9.539 -5.946 6.485 1.00 12.34 C ATOM 701 OE1 GLN A 49 -8.312 -5.970 6.318 1.00 53.15 O ATOM 702 NE2 GLN A 49 -10.259 -7.037 6.539 1.00 55.15 N ATOM 0 H GLN A 49 -12.037 -2.968 5.617 1.00 5.43 H new ATOM 0 HA GLN A 49 -10.146 -1.984 7.431 1.00 2.33 H new ATOM 0 HB2 GLN A 49 -9.721 -3.608 4.897 1.00 23.40 H new ATOM 0 HB3 GLN A 49 -8.576 -3.452 6.214 1.00 23.40 H new ATOM 0 HG2 GLN A 49 -10.353 -4.420 7.739 1.00 13.42 H new ATOM 0 HG3 GLN A 49 -11.302 -4.754 6.304 1.00 13.42 H new ATOM 0 HE21 GLN A 49 -11.268 -6.976 6.678 1.00 55.15 H new ATOM 0 HE22 GLN A 49 -9.812 -7.949 6.442 1.00 55.15 H new ATOM 711 N LEU A 50 -9.880 -0.881 4.362 1.00 23.14 N ATOM 712 CA LEU A 50 -9.303 0.134 3.480 1.00 35.24 C ATOM 713 C LEU A 50 -9.630 1.533 3.997 1.00 32.55 C ATOM 714 O LEU A 50 -8.770 2.416 4.044 1.00 23.32 O ATOM 715 CB LEU A 50 -9.865 -0.020 2.054 1.00 52.55 C ATOM 716 CG LEU A 50 -9.546 -1.320 1.303 1.00 41.32 C ATOM 717 CD1 LEU A 50 -10.255 -1.341 -0.040 1.00 13.21 C ATOM 718 CD2 LEU A 50 -8.054 -1.475 1.100 1.00 35.41 C ATOM 0 H LEU A 50 -10.560 -1.486 3.901 1.00 23.14 H new ATOM 0 HA LEU A 50 -8.222 -0.002 3.463 1.00 35.24 H new ATOM 0 HB2 LEU A 50 -10.949 0.080 2.107 1.00 52.55 H new ATOM 0 HB3 LEU A 50 -9.497 0.813 1.456 1.00 52.55 H new ATOM 0 HG LEU A 50 -9.901 -2.155 1.907 1.00 41.32 H new ATOM 0 HD11 LEU A 50 -10.019 -2.269 -0.561 1.00 13.21 H new ATOM 0 HD12 LEU A 50 -11.332 -1.276 0.116 1.00 13.21 H new ATOM 0 HD13 LEU A 50 -9.923 -0.494 -0.640 1.00 13.21 H new ATOM 0 HD21 LEU A 50 -7.854 -2.404 0.566 1.00 35.41 H new ATOM 0 HD22 LEU A 50 -7.677 -0.634 0.519 1.00 35.41 H new ATOM 0 HD23 LEU A 50 -7.556 -1.499 2.069 1.00 35.41 H new ATOM 730 N ARG A 51 -10.856 1.713 4.416 1.00 74.21 N ATOM 731 CA ARG A 51 -11.315 2.972 4.948 1.00 63.23 C ATOM 732 C ARG A 51 -10.730 3.313 6.307 1.00 4.24 C ATOM 733 O ARG A 51 -10.493 4.489 6.603 1.00 24.24 O ATOM 734 CB ARG A 51 -12.833 3.020 4.984 1.00 61.03 C ATOM 735 CG ARG A 51 -13.455 3.391 3.655 1.00 10.34 C ATOM 736 CD ARG A 51 -13.159 4.846 3.342 1.00 14.21 C ATOM 737 NE ARG A 51 -13.707 5.713 4.397 1.00 34.01 N ATOM 738 CZ ARG A 51 -13.225 6.898 4.786 1.00 50.13 C ATOM 739 NH1 ARG A 51 -12.189 7.442 4.175 1.00 64.55 N ATOM 740 NH2 ARG A 51 -13.797 7.532 5.794 1.00 51.31 N ATOM 0 H ARG A 51 -11.570 0.985 4.398 1.00 74.21 H new ATOM 0 HA ARG A 51 -10.948 3.738 4.265 1.00 63.23 H new ATOM 0 HB2 ARG A 51 -13.212 2.047 5.295 1.00 61.03 H new ATOM 0 HB3 ARG A 51 -13.148 3.741 5.738 1.00 61.03 H new ATOM 0 HG2 ARG A 51 -13.060 2.751 2.866 1.00 10.34 H new ATOM 0 HG3 ARG A 51 -14.532 3.228 3.688 1.00 10.34 H new ATOM 0 HD2 ARG A 51 -12.083 4.996 3.260 1.00 14.21 H new ATOM 0 HD3 ARG A 51 -13.593 5.114 2.379 1.00 14.21 H new ATOM 0 HE ARG A 51 -14.539 5.376 4.881 1.00 34.01 H new ATOM 0 HH11 ARG A 51 -11.745 6.958 3.395 1.00 64.55 H new ATOM 0 HH12 ARG A 51 -11.833 8.347 4.483 1.00 64.55 H new ATOM 0 HH21 ARG A 51 -14.599 7.117 6.268 1.00 51.31 H new ATOM 0 HH22 ARG A 51 -13.437 8.436 6.098 1.00 51.31 H new ATOM 754 N GLU A 52 -10.444 2.314 7.106 1.00 30.54 N ATOM 755 CA GLU A 52 -9.994 2.569 8.454 1.00 44.44 C ATOM 756 C GLU A 52 -8.491 2.651 8.548 1.00 73.35 C ATOM 757 O GLU A 52 -7.944 3.102 9.561 1.00 60.23 O ATOM 758 CB GLU A 52 -10.581 1.557 9.428 1.00 31.23 C ATOM 759 CG GLU A 52 -12.090 1.680 9.572 1.00 23.34 C ATOM 760 CD GLU A 52 -12.687 0.634 10.466 1.00 52.32 C ATOM 761 OE1 GLU A 52 -12.527 0.720 11.698 1.00 60.13 O ATOM 762 OE2 GLU A 52 -13.337 -0.304 9.958 1.00 35.43 O ATOM 0 H GLU A 52 -10.513 1.329 6.852 1.00 30.54 H new ATOM 0 HA GLU A 52 -10.368 3.551 8.743 1.00 44.44 H new ATOM 0 HB2 GLU A 52 -10.334 0.550 9.091 1.00 31.23 H new ATOM 0 HB3 GLU A 52 -10.116 1.689 10.405 1.00 31.23 H new ATOM 0 HG2 GLU A 52 -12.331 2.667 9.967 1.00 23.34 H new ATOM 0 HG3 GLU A 52 -12.549 1.611 8.586 1.00 23.34 H new ATOM 769 N GLY A 53 -7.826 2.253 7.495 1.00 73.20 N ATOM 770 CA GLY A 53 -6.394 2.321 7.475 1.00 63.45 C ATOM 771 C GLY A 53 -5.764 1.054 7.981 1.00 30.34 C ATOM 772 O GLY A 53 -4.767 1.092 8.710 1.00 54.32 O ATOM 0 H GLY A 53 -8.253 1.881 6.646 1.00 73.20 H new ATOM 0 HA2 GLY A 53 -6.054 2.514 6.457 1.00 63.45 H new ATOM 0 HA3 GLY A 53 -6.062 3.160 8.086 1.00 63.45 H new ATOM 776 N HIS A 54 -6.379 -0.059 7.668 1.00 40.35 N ATOM 777 CA HIS A 54 -5.803 -1.357 7.989 1.00 30.03 C ATOM 778 C HIS A 54 -5.121 -1.908 6.734 1.00 62.22 C ATOM 779 O HIS A 54 -4.206 -2.723 6.806 1.00 52.02 O ATOM 780 CB HIS A 54 -6.889 -2.333 8.506 1.00 43.25 C ATOM 781 CG HIS A 54 -6.363 -3.680 8.958 1.00 0.03 C ATOM 782 ND1 HIS A 54 -6.590 -4.875 8.297 1.00 12.22 N ATOM 783 CD2 HIS A 54 -5.607 -3.998 10.037 1.00 25.50 C ATOM 784 CE1 HIS A 54 -5.979 -5.847 8.976 1.00 33.34 C ATOM 785 NE2 HIS A 54 -5.363 -5.369 10.044 1.00 33.23 N ATOM 0 H HIS A 54 -7.280 -0.101 7.191 1.00 40.35 H new ATOM 0 HA HIS A 54 -5.068 -1.246 8.786 1.00 30.03 H new ATOM 0 HB2 HIS A 54 -7.413 -1.864 9.339 1.00 43.25 H new ATOM 0 HB3 HIS A 54 -7.623 -2.491 7.716 1.00 43.25 H new ATOM 0 HD1 HIS A 54 -7.130 -4.992 7.440 1.00 12.22 H new ATOM 0 HD2 HIS A 54 -5.249 -3.297 10.777 1.00 25.50 H new ATOM 0 HE1 HIS A 54 -5.986 -6.889 8.691 1.00 33.34 H new ATOM 793 N LEU A 55 -5.557 -1.406 5.595 1.00 31.31 N ATOM 794 CA LEU A 55 -5.070 -1.827 4.306 1.00 73.23 C ATOM 795 C LEU A 55 -5.351 -0.681 3.332 1.00 64.13 C ATOM 796 O LEU A 55 -6.230 0.128 3.603 1.00 60.41 O ATOM 797 CB LEU A 55 -5.836 -3.102 3.892 1.00 62.20 C ATOM 798 CG LEU A 55 -5.403 -3.806 2.606 1.00 11.45 C ATOM 799 CD1 LEU A 55 -3.968 -4.292 2.715 1.00 54.34 C ATOM 800 CD2 LEU A 55 -6.338 -4.968 2.311 1.00 3.14 C ATOM 0 H LEU A 55 -6.273 -0.681 5.544 1.00 31.31 H new ATOM 0 HA LEU A 55 -4.004 -2.053 4.317 1.00 73.23 H new ATOM 0 HB2 LEU A 55 -5.759 -3.819 4.709 1.00 62.20 H new ATOM 0 HB3 LEU A 55 -6.890 -2.843 3.794 1.00 62.20 H new ATOM 0 HG LEU A 55 -5.456 -3.093 1.784 1.00 11.45 H new ATOM 0 HD11 LEU A 55 -3.681 -4.790 1.789 1.00 54.34 H new ATOM 0 HD12 LEU A 55 -3.308 -3.442 2.890 1.00 54.34 H new ATOM 0 HD13 LEU A 55 -3.883 -4.993 3.545 1.00 54.34 H new ATOM 0 HD21 LEU A 55 -6.023 -5.465 1.393 1.00 3.14 H new ATOM 0 HD22 LEU A 55 -6.307 -5.679 3.137 1.00 3.14 H new ATOM 0 HD23 LEU A 55 -7.355 -4.595 2.191 1.00 3.14 H new ATOM 812 N VAL A 56 -4.594 -0.582 2.246 1.00 31.51 N ATOM 813 CA VAL A 56 -4.813 0.462 1.230 1.00 21.45 C ATOM 814 C VAL A 56 -4.801 -0.146 -0.170 1.00 52.44 C ATOM 815 O VAL A 56 -4.291 -1.256 -0.356 1.00 55.31 O ATOM 816 CB VAL A 56 -3.794 1.646 1.316 1.00 72.53 C ATOM 817 CG1 VAL A 56 -4.029 2.485 2.566 1.00 73.44 C ATOM 818 CG2 VAL A 56 -2.359 1.139 1.291 1.00 2.25 C ATOM 0 H VAL A 56 -3.818 -1.211 2.038 1.00 31.51 H new ATOM 0 HA VAL A 56 -5.794 0.887 1.440 1.00 21.45 H new ATOM 0 HB VAL A 56 -3.954 2.276 0.441 1.00 72.53 H new ATOM 0 HG11 VAL A 56 -3.306 3.300 2.598 1.00 73.44 H new ATOM 0 HG12 VAL A 56 -5.038 2.896 2.544 1.00 73.44 H new ATOM 0 HG13 VAL A 56 -3.911 1.860 3.451 1.00 73.44 H new ATOM 0 HG21 VAL A 56 -1.673 1.984 1.352 1.00 2.25 H new ATOM 0 HG22 VAL A 56 -2.193 0.475 2.139 1.00 2.25 H new ATOM 0 HG23 VAL A 56 -2.182 0.594 0.364 1.00 2.25 H new ATOM 828 N ALA A 57 -5.345 0.575 -1.138 1.00 5.14 N ATOM 829 CA ALA A 57 -5.478 0.082 -2.498 1.00 41.04 C ATOM 830 C ALA A 57 -5.132 1.179 -3.490 1.00 32.33 C ATOM 831 O ALA A 57 -5.196 2.351 -3.151 1.00 50.14 O ATOM 832 CB ALA A 57 -6.907 -0.386 -2.737 1.00 44.11 C ATOM 0 H ALA A 57 -5.707 1.519 -1.002 1.00 5.14 H new ATOM 0 HA ALA A 57 -4.792 -0.753 -2.638 1.00 41.04 H new ATOM 0 HB1 ALA A 57 -7.003 -0.755 -3.758 1.00 44.11 H new ATOM 0 HB2 ALA A 57 -7.150 -1.186 -2.038 1.00 44.11 H new ATOM 0 HB3 ALA A 57 -7.593 0.448 -2.587 1.00 44.11 H new ATOM 838 N VAL A 58 -4.788 0.785 -4.698 1.00 43.14 N ATOM 839 CA VAL A 58 -4.448 1.706 -5.774 1.00 34.15 C ATOM 840 C VAL A 58 -5.267 1.388 -7.013 1.00 52.44 C ATOM 841 O VAL A 58 -5.886 0.316 -7.103 1.00 1.31 O ATOM 842 CB VAL A 58 -2.932 1.705 -6.127 1.00 40.31 C ATOM 843 CG1 VAL A 58 -2.134 2.398 -5.044 1.00 2.35 C ATOM 844 CG2 VAL A 58 -2.417 0.281 -6.328 1.00 53.22 C ATOM 0 H VAL A 58 -4.734 -0.197 -4.969 1.00 43.14 H new ATOM 0 HA VAL A 58 -4.687 2.706 -5.413 1.00 34.15 H new ATOM 0 HB VAL A 58 -2.806 2.251 -7.062 1.00 40.31 H new ATOM 0 HG11 VAL A 58 -1.077 2.388 -5.308 1.00 2.35 H new ATOM 0 HG12 VAL A 58 -2.473 3.429 -4.945 1.00 2.35 H new ATOM 0 HG13 VAL A 58 -2.277 1.877 -4.097 1.00 2.35 H new ATOM 0 HG21 VAL A 58 -1.355 0.309 -6.574 1.00 53.22 H new ATOM 0 HG22 VAL A 58 -2.562 -0.291 -5.412 1.00 53.22 H new ATOM 0 HG23 VAL A 58 -2.965 -0.193 -7.142 1.00 53.22 H new ATOM 854 N ARG A 59 -5.281 2.296 -7.959 1.00 44.21 N ATOM 855 CA ARG A 59 -6.086 2.142 -9.150 1.00 0.41 C ATOM 856 C ARG A 59 -5.221 2.179 -10.409 1.00 50.33 C ATOM 857 O ARG A 59 -4.422 3.096 -10.597 1.00 0.41 O ATOM 858 CB ARG A 59 -7.132 3.259 -9.200 1.00 61.24 C ATOM 859 CG ARG A 59 -8.103 3.185 -10.369 1.00 33.21 C ATOM 860 CD ARG A 59 -9.009 4.406 -10.397 1.00 14.20 C ATOM 861 NE ARG A 59 -9.803 4.542 -9.160 1.00 14.33 N ATOM 862 CZ ARG A 59 -10.222 5.706 -8.634 1.00 51.01 C ATOM 863 NH1 ARG A 59 -9.942 6.862 -9.238 1.00 44.21 N ATOM 864 NH2 ARG A 59 -10.933 5.705 -7.506 1.00 45.23 N ATOM 0 H ARG A 59 -4.738 3.159 -7.927 1.00 44.21 H new ATOM 0 HA ARG A 59 -6.582 1.172 -9.113 1.00 0.41 H new ATOM 0 HB2 ARG A 59 -7.704 3.242 -8.272 1.00 61.24 H new ATOM 0 HB3 ARG A 59 -6.615 4.218 -9.238 1.00 61.24 H new ATOM 0 HG2 ARG A 59 -7.548 3.117 -11.305 1.00 33.21 H new ATOM 0 HG3 ARG A 59 -8.706 2.281 -10.290 1.00 33.21 H new ATOM 0 HD2 ARG A 59 -8.404 5.302 -10.538 1.00 14.20 H new ATOM 0 HD3 ARG A 59 -9.681 4.337 -11.252 1.00 14.20 H new ATOM 0 HE ARG A 59 -10.053 3.686 -8.666 1.00 14.33 H new ATOM 0 HH11 ARG A 59 -9.406 6.867 -10.106 1.00 44.21 H new ATOM 0 HH12 ARG A 59 -10.264 7.741 -8.832 1.00 44.21 H new ATOM 0 HH21 ARG A 59 -11.157 4.823 -7.045 1.00 45.23 H new ATOM 0 HH22 ARG A 59 -11.253 6.586 -7.104 1.00 45.23 H new ATOM 878 N ARG A 60 -5.387 1.187 -11.254 1.00 51.43 N ATOM 879 CA ARG A 60 -4.696 1.121 -12.529 1.00 74.10 C ATOM 880 C ARG A 60 -5.675 0.691 -13.613 1.00 13.23 C ATOM 881 O ARG A 60 -6.359 -0.319 -13.462 1.00 61.12 O ATOM 882 CB ARG A 60 -3.472 0.179 -12.478 1.00 42.13 C ATOM 883 CG ARG A 60 -3.756 -1.288 -12.141 1.00 34.13 C ATOM 884 CD ARG A 60 -2.458 -2.071 -12.113 1.00 52.04 C ATOM 885 NE ARG A 60 -2.626 -3.492 -11.790 1.00 35.50 N ATOM 886 CZ ARG A 60 -1.728 -4.228 -11.107 1.00 25.23 C ATOM 887 NH1 ARG A 60 -0.663 -3.638 -10.539 1.00 13.52 N ATOM 888 NH2 ARG A 60 -1.912 -5.557 -10.978 1.00 32.22 N ATOM 0 H ARG A 60 -6.008 0.397 -11.078 1.00 51.43 H new ATOM 0 HA ARG A 60 -4.312 2.114 -12.763 1.00 74.10 H new ATOM 0 HB2 ARG A 60 -2.971 0.217 -13.445 1.00 42.13 H new ATOM 0 HB3 ARG A 60 -2.771 0.569 -11.741 1.00 42.13 H new ATOM 0 HG2 ARG A 60 -4.254 -1.358 -11.174 1.00 34.13 H new ATOM 0 HG3 ARG A 60 -4.433 -1.716 -12.880 1.00 34.13 H new ATOM 0 HD2 ARG A 60 -1.972 -1.985 -13.085 1.00 52.04 H new ATOM 0 HD3 ARG A 60 -1.789 -1.619 -11.381 1.00 52.04 H new ATOM 0 HE ARG A 60 -3.480 -3.954 -12.104 1.00 35.50 H new ATOM 0 HH11 ARG A 60 -0.533 -2.630 -10.624 1.00 13.52 H new ATOM 0 HH12 ARG A 60 0.015 -4.198 -10.022 1.00 13.52 H new ATOM 0 HH21 ARG A 60 -2.729 -6.002 -11.397 1.00 32.22 H new ATOM 0 HH22 ARG A 60 -1.234 -6.118 -10.462 1.00 32.22 H new ATOM 902 N ALA A 61 -5.790 1.505 -14.662 1.00 52.42 N ATOM 903 CA ALA A 61 -6.690 1.259 -15.811 1.00 63.53 C ATOM 904 C ALA A 61 -8.162 1.160 -15.371 1.00 23.13 C ATOM 905 O ALA A 61 -9.005 0.560 -16.058 1.00 15.42 O ATOM 906 CB ALA A 61 -6.255 0.006 -16.575 1.00 31.13 C ATOM 0 H ALA A 61 -5.256 2.370 -14.748 1.00 52.42 H new ATOM 0 HA ALA A 61 -6.614 2.114 -16.483 1.00 63.53 H new ATOM 0 HB1 ALA A 61 -6.928 -0.159 -17.416 1.00 31.13 H new ATOM 0 HB2 ALA A 61 -5.238 0.140 -16.945 1.00 31.13 H new ATOM 0 HB3 ALA A 61 -6.288 -0.856 -15.909 1.00 31.13 H new ATOM 912 N GLY A 62 -8.476 1.796 -14.255 1.00 25.20 N ATOM 913 CA GLY A 62 -9.819 1.747 -13.712 1.00 24.14 C ATOM 914 C GLY A 62 -10.017 0.574 -12.771 1.00 43.33 C ATOM 915 O GLY A 62 -11.082 0.418 -12.175 1.00 60.13 O ATOM 0 H GLY A 62 -7.818 2.352 -13.709 1.00 25.20 H new ATOM 0 HA2 GLY A 62 -10.028 2.675 -13.181 1.00 24.14 H new ATOM 0 HA3 GLY A 62 -10.537 1.679 -14.529 1.00 24.14 H new ATOM 919 N GLY A 63 -8.999 -0.244 -12.642 1.00 41.25 N ATOM 920 CA GLY A 63 -9.057 -1.388 -11.780 1.00 34.35 C ATOM 921 C GLY A 63 -8.457 -1.087 -10.450 1.00 54.41 C ATOM 922 O GLY A 63 -7.424 -0.426 -10.369 1.00 33.15 O ATOM 0 H GLY A 63 -8.112 -0.131 -13.133 1.00 41.25 H new ATOM 0 HA2 GLY A 63 -10.094 -1.699 -11.653 1.00 34.35 H new ATOM 0 HA3 GLY A 63 -8.528 -2.222 -12.241 1.00 34.35 H new ATOM 926 N VAL A 64 -9.089 -1.545 -9.418 1.00 34.34 N ATOM 927 CA VAL A 64 -8.611 -1.342 -8.083 1.00 42.31 C ATOM 928 C VAL A 64 -7.861 -2.585 -7.665 1.00 65.24 C ATOM 929 O VAL A 64 -8.396 -3.702 -7.730 1.00 5.13 O ATOM 930 CB VAL A 64 -9.779 -1.061 -7.090 1.00 1.11 C ATOM 931 CG1 VAL A 64 -9.259 -0.833 -5.674 1.00 5.44 C ATOM 932 CG2 VAL A 64 -10.595 0.140 -7.551 1.00 4.41 C ATOM 0 H VAL A 64 -9.959 -2.075 -9.475 1.00 34.34 H new ATOM 0 HA VAL A 64 -7.958 -0.469 -8.063 1.00 42.31 H new ATOM 0 HB VAL A 64 -10.423 -1.940 -7.077 1.00 1.11 H new ATOM 0 HG11 VAL A 64 -10.098 -0.640 -5.005 1.00 5.44 H new ATOM 0 HG12 VAL A 64 -8.722 -1.720 -5.336 1.00 5.44 H new ATOM 0 HG13 VAL A 64 -8.585 0.023 -5.667 1.00 5.44 H new ATOM 0 HG21 VAL A 64 -11.406 0.321 -6.846 1.00 4.41 H new ATOM 0 HG22 VAL A 64 -9.953 1.019 -7.599 1.00 4.41 H new ATOM 0 HG23 VAL A 64 -11.011 -0.060 -8.538 1.00 4.41 H new ATOM 942 N VAL A 65 -6.631 -2.406 -7.288 1.00 21.41 N ATOM 943 CA VAL A 65 -5.783 -3.501 -6.915 1.00 3.41 C ATOM 944 C VAL A 65 -5.092 -3.225 -5.602 1.00 60.31 C ATOM 945 O VAL A 65 -4.865 -2.067 -5.224 1.00 53.02 O ATOM 946 CB VAL A 65 -4.719 -3.849 -8.005 1.00 12.13 C ATOM 947 CG1 VAL A 65 -5.359 -4.537 -9.196 1.00 4.43 C ATOM 948 CG2 VAL A 65 -4.009 -2.594 -8.472 1.00 72.23 C ATOM 0 H VAL A 65 -6.184 -1.491 -7.230 1.00 21.41 H new ATOM 0 HA VAL A 65 -6.438 -4.366 -6.810 1.00 3.41 H new ATOM 0 HB VAL A 65 -3.996 -4.529 -7.554 1.00 12.13 H new ATOM 0 HG11 VAL A 65 -4.594 -4.767 -9.938 1.00 4.43 H new ATOM 0 HG12 VAL A 65 -5.837 -5.461 -8.869 1.00 4.43 H new ATOM 0 HG13 VAL A 65 -6.107 -3.879 -9.638 1.00 4.43 H new ATOM 0 HG21 VAL A 65 -3.271 -2.854 -9.231 1.00 72.23 H new ATOM 0 HG22 VAL A 65 -4.736 -1.901 -8.895 1.00 72.23 H new ATOM 0 HG23 VAL A 65 -3.508 -2.123 -7.626 1.00 72.23 H new ATOM 958 N ILE A 66 -4.803 -4.277 -4.909 1.00 74.13 N ATOM 959 CA ILE A 66 -4.132 -4.238 -3.651 1.00 54.13 C ATOM 960 C ILE A 66 -2.897 -5.126 -3.764 1.00 0.31 C ATOM 961 O ILE A 66 -2.997 -6.273 -4.214 1.00 64.31 O ATOM 962 CB ILE A 66 -5.059 -4.756 -2.507 1.00 43.14 C ATOM 963 CG1 ILE A 66 -6.323 -3.878 -2.428 1.00 2.33 C ATOM 964 CG2 ILE A 66 -4.317 -4.741 -1.170 1.00 41.00 C ATOM 965 CD1 ILE A 66 -7.359 -4.326 -1.421 1.00 51.15 C ATOM 0 H ILE A 66 -5.036 -5.222 -5.214 1.00 74.13 H new ATOM 0 HA ILE A 66 -3.855 -3.212 -3.408 1.00 54.13 H new ATOM 0 HB ILE A 66 -5.351 -5.783 -2.724 1.00 43.14 H new ATOM 0 HG12 ILE A 66 -6.023 -2.858 -2.187 1.00 2.33 H new ATOM 0 HG13 ILE A 66 -6.787 -3.849 -3.414 1.00 2.33 H new ATOM 0 HG21 ILE A 66 -4.978 -5.105 -0.383 1.00 41.00 H new ATOM 0 HG22 ILE A 66 -3.439 -5.384 -1.234 1.00 41.00 H new ATOM 0 HG23 ILE A 66 -4.004 -3.723 -0.939 1.00 41.00 H new ATOM 0 HD11 ILE A 66 -8.208 -3.643 -1.444 1.00 51.15 H new ATOM 0 HD12 ILE A 66 -7.697 -5.332 -1.669 1.00 51.15 H new ATOM 0 HD13 ILE A 66 -6.920 -4.327 -0.423 1.00 51.15 H new ATOM 977 N PRO A 67 -1.715 -4.593 -3.460 1.00 24.22 N ATOM 978 CA PRO A 67 -0.472 -5.357 -3.493 1.00 34.41 C ATOM 979 C PRO A 67 -0.518 -6.593 -2.595 1.00 30.12 C ATOM 980 O PRO A 67 -0.835 -6.508 -1.410 1.00 35.43 O ATOM 981 CB PRO A 67 0.561 -4.379 -2.957 1.00 63.44 C ATOM 982 CG PRO A 67 0.002 -3.045 -3.258 1.00 61.53 C ATOM 983 CD PRO A 67 -1.479 -3.185 -3.099 1.00 21.31 C ATOM 0 HA PRO A 67 -0.261 -5.730 -4.495 1.00 34.41 H new ATOM 0 HB2 PRO A 67 0.715 -4.512 -1.886 1.00 63.44 H new ATOM 0 HB3 PRO A 67 1.529 -4.521 -3.438 1.00 63.44 H new ATOM 0 HG2 PRO A 67 0.400 -2.291 -2.579 1.00 61.53 H new ATOM 0 HG3 PRO A 67 0.260 -2.731 -4.269 1.00 61.53 H new ATOM 0 HD2 PRO A 67 -1.798 -2.970 -2.079 1.00 21.31 H new ATOM 0 HD3 PRO A 67 -2.022 -2.503 -3.753 1.00 21.31 H new ATOM 991 N GLN A 68 -0.162 -7.729 -3.165 1.00 31.41 N ATOM 992 CA GLN A 68 -0.135 -9.003 -2.464 1.00 71.44 C ATOM 993 C GLN A 68 0.900 -8.997 -1.354 1.00 43.14 C ATOM 994 O GLN A 68 0.793 -9.723 -0.390 1.00 72.43 O ATOM 995 CB GLN A 68 0.124 -10.103 -3.468 1.00 12.31 C ATOM 996 CG GLN A 68 0.332 -11.491 -2.907 1.00 60.43 C ATOM 997 CD GLN A 68 0.384 -12.529 -3.993 1.00 33.22 C ATOM 998 OE1 GLN A 68 -0.335 -12.299 -5.067 1.00 20.14 O flip ATOM 999 NE2 GLN A 68 1.058 -13.542 -3.866 1.00 53.13 N flip ATOM 0 H GLN A 68 0.121 -7.796 -4.143 1.00 31.41 H new ATOM 0 HA GLN A 68 -1.098 -9.179 -1.985 1.00 71.44 H new ATOM 0 HB2 GLN A 68 -0.716 -10.137 -4.161 1.00 12.31 H new ATOM 0 HB3 GLN A 68 1.006 -9.834 -4.049 1.00 12.31 H new ATOM 0 HG2 GLN A 68 1.259 -11.517 -2.335 1.00 60.43 H new ATOM 0 HG3 GLN A 68 -0.476 -11.729 -2.215 1.00 60.43 H new ATOM 0 HE21 GLN A 68 1.605 -13.688 -3.017 1.00 53.13 H new ATOM 0 HE22 GLN A 68 1.073 -14.241 -4.609 1.00 53.13 H new ATOM 1008 N VAL A 69 1.888 -8.154 -1.508 1.00 54.31 N ATOM 1009 CA VAL A 69 2.960 -8.001 -0.532 1.00 52.34 C ATOM 1010 C VAL A 69 2.485 -7.290 0.762 1.00 74.04 C ATOM 1011 O VAL A 69 3.247 -7.118 1.700 1.00 60.12 O ATOM 1012 CB VAL A 69 4.144 -7.249 -1.146 1.00 62.41 C ATOM 1013 CG1 VAL A 69 4.763 -8.055 -2.284 1.00 44.23 C ATOM 1014 CG2 VAL A 69 3.694 -5.896 -1.644 1.00 1.42 C ATOM 0 H VAL A 69 1.981 -7.543 -2.320 1.00 54.31 H new ATOM 0 HA VAL A 69 3.279 -9.005 -0.251 1.00 52.34 H new ATOM 0 HB VAL A 69 4.903 -7.108 -0.377 1.00 62.41 H new ATOM 0 HG11 VAL A 69 5.602 -7.503 -2.706 1.00 44.23 H new ATOM 0 HG12 VAL A 69 5.115 -9.013 -1.902 1.00 44.23 H new ATOM 0 HG13 VAL A 69 4.015 -8.226 -3.058 1.00 44.23 H new ATOM 0 HG21 VAL A 69 4.542 -5.368 -2.079 1.00 1.42 H new ATOM 0 HG22 VAL A 69 2.920 -6.026 -2.401 1.00 1.42 H new ATOM 0 HG23 VAL A 69 3.294 -5.317 -0.812 1.00 1.42 H new ATOM 1024 N PHE A 70 1.226 -6.859 0.779 1.00 64.02 N ATOM 1025 CA PHE A 70 0.609 -6.309 1.985 1.00 2.34 C ATOM 1026 C PHE A 70 0.020 -7.448 2.794 1.00 34.14 C ATOM 1027 O PHE A 70 -0.495 -7.275 3.910 1.00 40.14 O ATOM 1028 CB PHE A 70 -0.472 -5.275 1.636 1.00 71.40 C ATOM 1029 CG PHE A 70 0.058 -3.893 1.343 1.00 73.53 C ATOM 1030 CD1 PHE A 70 1.087 -3.689 0.446 1.00 24.35 C ATOM 1031 CD2 PHE A 70 -0.466 -2.802 2.002 1.00 72.03 C ATOM 1032 CE1 PHE A 70 1.574 -2.419 0.205 1.00 2.02 C ATOM 1033 CE2 PHE A 70 0.014 -1.534 1.772 1.00 2.53 C ATOM 1034 CZ PHE A 70 1.033 -1.339 0.872 1.00 52.23 C ATOM 0 H PHE A 70 0.610 -6.880 -0.033 1.00 64.02 H new ATOM 0 HA PHE A 70 1.369 -5.794 2.573 1.00 2.34 H new ATOM 0 HB2 PHE A 70 -1.029 -5.629 0.768 1.00 71.40 H new ATOM 0 HB3 PHE A 70 -1.178 -5.212 2.464 1.00 71.40 H new ATOM 0 HD1 PHE A 70 1.517 -4.533 -0.074 1.00 24.35 H new ATOM 0 HD2 PHE A 70 -1.268 -2.945 2.711 1.00 72.03 H new ATOM 0 HE1 PHE A 70 2.376 -2.272 -0.503 1.00 2.02 H new ATOM 0 HE2 PHE A 70 -0.410 -0.692 2.299 1.00 2.53 H new ATOM 0 HZ PHE A 70 1.410 -0.344 0.687 1.00 52.23 H new ATOM 1044 N PHE A 71 0.113 -8.611 2.216 1.00 41.11 N ATOM 1045 CA PHE A 71 -0.329 -9.818 2.797 1.00 75.34 C ATOM 1046 C PHE A 71 0.874 -10.700 2.970 1.00 12.14 C ATOM 1047 O PHE A 71 1.841 -10.605 2.216 1.00 4.44 O ATOM 1048 CB PHE A 71 -1.352 -10.529 1.891 1.00 41.23 C ATOM 1049 CG PHE A 71 -2.599 -9.742 1.608 1.00 23.34 C ATOM 1050 CD1 PHE A 71 -2.638 -8.827 0.569 1.00 75.54 C ATOM 1051 CD2 PHE A 71 -3.734 -9.924 2.374 1.00 42.13 C ATOM 1052 CE1 PHE A 71 -3.779 -8.110 0.302 1.00 73.31 C ATOM 1053 CE2 PHE A 71 -4.882 -9.209 2.110 1.00 52.01 C ATOM 1054 CZ PHE A 71 -4.903 -8.300 1.072 1.00 23.45 C ATOM 0 H PHE A 71 0.518 -8.735 1.288 1.00 41.11 H new ATOM 0 HA PHE A 71 -0.814 -9.610 3.751 1.00 75.34 H new ATOM 0 HB2 PHE A 71 -0.870 -10.772 0.944 1.00 41.23 H new ATOM 0 HB3 PHE A 71 -1.634 -11.473 2.357 1.00 41.23 H new ATOM 0 HD1 PHE A 71 -1.759 -8.675 -0.040 1.00 75.54 H new ATOM 0 HD2 PHE A 71 -3.722 -10.634 3.188 1.00 42.13 H new ATOM 0 HE1 PHE A 71 -3.794 -7.399 -0.511 1.00 73.31 H new ATOM 0 HE2 PHE A 71 -5.764 -9.360 2.715 1.00 52.01 H new ATOM 0 HZ PHE A 71 -5.802 -7.738 0.864 1.00 23.45 H new ATOM 1064 N THR A 72 0.826 -11.519 3.943 1.00 2.54 N ATOM 1065 CA THR A 72 1.863 -12.451 4.200 1.00 21.43 C ATOM 1066 C THR A 72 1.654 -13.669 3.310 1.00 24.11 C ATOM 1067 O THR A 72 0.603 -13.800 2.663 1.00 53.00 O ATOM 1068 CB THR A 72 1.840 -12.873 5.690 1.00 41.45 C ATOM 1069 OG1 THR A 72 0.514 -13.339 6.042 1.00 31.01 O ATOM 1070 CG2 THR A 72 2.203 -11.702 6.584 1.00 44.21 C ATOM 0 H THR A 72 0.050 -11.567 4.603 1.00 2.54 H new ATOM 0 HA THR A 72 2.830 -11.997 3.985 1.00 21.43 H new ATOM 0 HB THR A 72 2.569 -13.670 5.833 1.00 41.45 H new ATOM 0 HG1 THR A 72 -0.126 -12.603 5.951 1.00 31.01 H new ATOM 0 HG21 THR A 72 2.181 -12.020 7.626 1.00 44.21 H new ATOM 0 HG22 THR A 72 3.203 -11.349 6.333 1.00 44.21 H new ATOM 0 HG23 THR A 72 1.486 -10.895 6.435 1.00 44.21 H new ATOM 1078 N ASN A 73 2.606 -14.575 3.316 1.00 74.12 N ATOM 1079 CA ASN A 73 2.532 -15.811 2.521 1.00 5.23 C ATOM 1080 C ASN A 73 1.384 -16.704 3.015 1.00 53.21 C ATOM 1081 O ASN A 73 0.940 -17.612 2.325 1.00 32.02 O ATOM 1082 CB ASN A 73 3.867 -16.589 2.583 1.00 60.20 C ATOM 1083 CG ASN A 73 4.220 -17.084 3.984 1.00 55.02 C ATOM 1084 OD1 ASN A 73 3.876 -16.455 4.995 1.00 42.24 O ATOM 1085 ND2 ASN A 73 4.913 -18.184 4.061 1.00 11.45 N ATOM 0 H ASN A 73 3.460 -14.489 3.868 1.00 74.12 H new ATOM 0 HA ASN A 73 2.341 -15.530 1.485 1.00 5.23 H new ATOM 0 HB2 ASN A 73 3.812 -17.443 1.908 1.00 60.20 H new ATOM 0 HB3 ASN A 73 4.670 -15.947 2.220 1.00 60.20 H new ATOM 0 HD21 ASN A 73 5.188 -18.551 4.972 1.00 11.45 H new ATOM 0 HD22 ASN A 73 5.181 -18.679 3.210 1.00 11.45 H new ATOM 1092 N SER A 74 0.918 -16.424 4.219 1.00 54.52 N ATOM 1093 CA SER A 74 -0.176 -17.138 4.822 1.00 21.12 C ATOM 1094 C SER A 74 -1.535 -16.622 4.313 1.00 30.24 C ATOM 1095 O SER A 74 -2.582 -17.147 4.677 1.00 41.51 O ATOM 1096 CB SER A 74 -0.074 -16.990 6.325 1.00 63.22 C ATOM 1097 OG SER A 74 1.226 -17.364 6.768 1.00 50.24 O ATOM 0 H SER A 74 1.299 -15.683 4.807 1.00 54.52 H new ATOM 0 HA SER A 74 -0.114 -18.191 4.546 1.00 21.12 H new ATOM 0 HB2 SER A 74 -0.281 -15.959 6.611 1.00 63.22 H new ATOM 0 HB3 SER A 74 -0.825 -17.613 6.811 1.00 63.22 H new ATOM 0 HG SER A 74 1.282 -17.263 7.741 1.00 50.24 H new ATOM 1103 N GLY A 75 -1.507 -15.582 3.490 1.00 10.54 N ATOM 1104 CA GLY A 75 -2.724 -15.058 2.922 1.00 41.31 C ATOM 1105 C GLY A 75 -3.470 -14.146 3.866 1.00 1.25 C ATOM 1106 O GLY A 75 -4.686 -13.987 3.763 1.00 41.23 O ATOM 0 H GLY A 75 -0.657 -15.093 3.207 1.00 10.54 H new ATOM 0 HA2 GLY A 75 -2.487 -14.512 2.009 1.00 41.31 H new ATOM 0 HA3 GLY A 75 -3.372 -15.887 2.638 1.00 41.31 H new ATOM 1110 N GLN A 76 -2.764 -13.568 4.806 1.00 1.34 N ATOM 1111 CA GLN A 76 -3.375 -12.630 5.732 1.00 13.03 C ATOM 1112 C GLN A 76 -2.574 -11.363 5.715 1.00 25.12 C ATOM 1113 O GLN A 76 -1.387 -11.414 5.412 1.00 63.34 O ATOM 1114 CB GLN A 76 -3.428 -13.187 7.151 1.00 74.33 C ATOM 1115 CG GLN A 76 -4.169 -14.502 7.280 1.00 42.13 C ATOM 1116 CD GLN A 76 -4.402 -14.880 8.717 1.00 55.15 C ATOM 1117 OE1 GLN A 76 -5.427 -14.522 9.294 1.00 12.31 O ATOM 1118 NE2 GLN A 76 -3.473 -15.573 9.317 1.00 32.55 N ATOM 0 H GLN A 76 -1.767 -13.726 4.955 1.00 1.34 H new ATOM 0 HA GLN A 76 -4.402 -12.445 5.418 1.00 13.03 H new ATOM 0 HB2 GLN A 76 -2.409 -13.321 7.514 1.00 74.33 H new ATOM 0 HB3 GLN A 76 -3.903 -12.451 7.800 1.00 74.33 H new ATOM 0 HG2 GLN A 76 -5.127 -14.430 6.764 1.00 42.13 H new ATOM 0 HG3 GLN A 76 -3.599 -15.289 6.786 1.00 42.13 H new ATOM 0 HE21 GLN A 76 -2.635 -15.853 8.806 1.00 32.55 H new ATOM 0 HE22 GLN A 76 -3.585 -15.835 10.296 1.00 32.55 H new ATOM 1127 N VAL A 77 -3.194 -10.249 6.055 1.00 21.52 N ATOM 1128 CA VAL A 77 -2.524 -8.946 6.038 1.00 34.34 C ATOM 1129 C VAL A 77 -1.368 -8.949 7.041 1.00 61.43 C ATOM 1130 O VAL A 77 -1.458 -9.612 8.096 1.00 1.00 O ATOM 1131 CB VAL A 77 -3.531 -7.784 6.372 1.00 44.43 C ATOM 1132 CG1 VAL A 77 -2.852 -6.426 6.382 1.00 24.40 C ATOM 1133 CG2 VAL A 77 -4.669 -7.763 5.376 1.00 65.10 C ATOM 0 H VAL A 77 -4.170 -10.213 6.350 1.00 21.52 H new ATOM 0 HA VAL A 77 -2.134 -8.772 5.035 1.00 34.34 H new ATOM 0 HB VAL A 77 -3.918 -7.980 7.372 1.00 44.43 H new ATOM 0 HG11 VAL A 77 -3.585 -5.654 6.617 1.00 24.40 H new ATOM 0 HG12 VAL A 77 -2.064 -6.419 7.135 1.00 24.40 H new ATOM 0 HG13 VAL A 77 -2.419 -6.228 5.401 1.00 24.40 H new ATOM 0 HG21 VAL A 77 -5.355 -6.953 5.624 1.00 65.10 H new ATOM 0 HG22 VAL A 77 -4.272 -7.608 4.373 1.00 65.10 H new ATOM 0 HG23 VAL A 77 -5.202 -8.713 5.412 1.00 65.10 H new ATOM 1143 N VAL A 78 -0.270 -8.284 6.668 1.00 35.22 N ATOM 1144 CA VAL A 78 0.911 -8.155 7.517 1.00 63.33 C ATOM 1145 C VAL A 78 0.497 -7.602 8.879 1.00 4.01 C ATOM 1146 O VAL A 78 -0.290 -6.653 8.958 1.00 34.41 O ATOM 1147 CB VAL A 78 1.979 -7.229 6.859 1.00 2.43 C ATOM 1148 CG1 VAL A 78 3.209 -7.053 7.746 1.00 1.41 C ATOM 1149 CG2 VAL A 78 2.390 -7.779 5.501 1.00 31.31 C ATOM 0 H VAL A 78 -0.178 -7.819 5.765 1.00 35.22 H new ATOM 0 HA VAL A 78 1.359 -9.140 7.644 1.00 63.33 H new ATOM 0 HB VAL A 78 1.522 -6.248 6.730 1.00 2.43 H new ATOM 0 HG11 VAL A 78 3.926 -6.401 7.248 1.00 1.41 H new ATOM 0 HG12 VAL A 78 2.912 -6.608 8.696 1.00 1.41 H new ATOM 0 HG13 VAL A 78 3.668 -8.025 7.929 1.00 1.41 H new ATOM 0 HG21 VAL A 78 3.136 -7.122 5.053 1.00 31.31 H new ATOM 0 HG22 VAL A 78 2.812 -8.776 5.625 1.00 31.31 H new ATOM 0 HG23 VAL A 78 1.517 -7.833 4.851 1.00 31.31 H new ATOM 1159 N LYS A 79 1.024 -8.202 9.927 1.00 21.35 N ATOM 1160 CA LYS A 79 0.643 -7.883 11.297 1.00 12.01 C ATOM 1161 C LYS A 79 0.797 -6.390 11.611 1.00 20.32 C ATOM 1162 O LYS A 79 -0.102 -5.768 12.175 1.00 23.05 O ATOM 1163 CB LYS A 79 1.466 -8.735 12.273 1.00 31.13 C ATOM 1164 CG LYS A 79 1.115 -8.526 13.730 1.00 54.45 C ATOM 1165 CD LYS A 79 1.915 -9.437 14.636 1.00 40.24 C ATOM 1166 CE LYS A 79 1.569 -9.198 16.095 1.00 54.12 C ATOM 1167 NZ LYS A 79 0.129 -9.379 16.363 1.00 3.13 N ATOM 0 H LYS A 79 1.734 -8.931 9.856 1.00 21.35 H new ATOM 0 HA LYS A 79 -0.415 -8.118 11.414 1.00 12.01 H new ATOM 0 HB2 LYS A 79 1.327 -9.787 12.025 1.00 31.13 H new ATOM 0 HB3 LYS A 79 2.523 -8.511 12.130 1.00 31.13 H new ATOM 0 HG2 LYS A 79 1.300 -7.487 14.003 1.00 54.45 H new ATOM 0 HG3 LYS A 79 0.051 -8.709 13.878 1.00 54.45 H new ATOM 0 HD2 LYS A 79 1.717 -10.477 14.378 1.00 40.24 H new ATOM 0 HD3 LYS A 79 2.980 -9.267 14.479 1.00 40.24 H new ATOM 0 HE2 LYS A 79 2.142 -9.883 16.720 1.00 54.12 H new ATOM 0 HE3 LYS A 79 1.865 -8.187 16.376 1.00 54.12 H new ATOM 0 HZ1 LYS A 79 0.004 -9.881 17.265 1.00 3.13 H new ATOM 0 HZ2 LYS A 79 -0.334 -8.449 16.418 1.00 3.13 H new ATOM 0 HZ3 LYS A 79 -0.300 -9.934 15.595 1.00 3.13 H new ATOM 1181 N SER A 80 1.888 -5.820 11.182 1.00 23.10 N ATOM 1182 CA SER A 80 2.186 -4.433 11.455 1.00 35.31 C ATOM 1183 C SER A 80 1.832 -3.497 10.274 1.00 2.15 C ATOM 1184 O SER A 80 2.287 -2.347 10.225 1.00 40.34 O ATOM 1185 CB SER A 80 3.655 -4.330 11.859 1.00 62.44 C ATOM 1186 OG SER A 80 4.471 -5.146 11.010 1.00 62.23 O ATOM 0 H SER A 80 2.600 -6.301 10.632 1.00 23.10 H new ATOM 0 HA SER A 80 1.557 -4.089 12.276 1.00 35.31 H new ATOM 0 HB2 SER A 80 3.982 -3.292 11.798 1.00 62.44 H new ATOM 0 HB3 SER A 80 3.775 -4.642 12.897 1.00 62.44 H new ATOM 0 HG SER A 80 5.409 -5.066 11.283 1.00 62.23 H new ATOM 1192 N LEU A 81 0.984 -3.982 9.358 1.00 25.24 N ATOM 1193 CA LEU A 81 0.534 -3.189 8.208 1.00 65.53 C ATOM 1194 C LEU A 81 -0.221 -1.907 8.680 1.00 14.04 C ATOM 1195 O LEU A 81 0.144 -0.795 8.274 1.00 4.21 O ATOM 1196 CB LEU A 81 -0.357 -4.037 7.302 1.00 4.01 C ATOM 1197 CG LEU A 81 -0.373 -3.679 5.811 1.00 62.44 C ATOM 1198 CD1 LEU A 81 -0.852 -2.271 5.527 1.00 2.21 C ATOM 1199 CD2 LEU A 81 0.965 -3.959 5.151 1.00 42.22 C ATOM 0 H LEU A 81 0.595 -4.924 9.392 1.00 25.24 H new ATOM 0 HA LEU A 81 1.409 -2.873 7.640 1.00 65.53 H new ATOM 0 HB2 LEU A 81 -0.045 -5.077 7.398 1.00 4.01 H new ATOM 0 HB3 LEU A 81 -1.379 -3.975 7.677 1.00 4.01 H new ATOM 0 HG LEU A 81 -1.114 -4.339 5.360 1.00 62.44 H new ATOM 0 HD11 LEU A 81 -0.836 -2.091 4.452 1.00 2.21 H new ATOM 0 HD12 LEU A 81 -1.869 -2.151 5.900 1.00 2.21 H new ATOM 0 HD13 LEU A 81 -0.196 -1.556 6.024 1.00 2.21 H new ATOM 0 HD21 LEU A 81 0.913 -3.692 4.095 1.00 42.22 H new ATOM 0 HD22 LEU A 81 1.741 -3.368 5.637 1.00 42.22 H new ATOM 0 HD23 LEU A 81 1.203 -5.018 5.246 1.00 42.22 H new ATOM 1211 N PRO A 82 -1.267 -2.020 9.584 1.00 21.25 N ATOM 1212 CA PRO A 82 -1.999 -0.845 10.074 1.00 12.42 C ATOM 1213 C PRO A 82 -1.078 0.137 10.794 1.00 70.13 C ATOM 1214 O PRO A 82 -1.315 1.333 10.788 1.00 4.21 O ATOM 1215 CB PRO A 82 -3.019 -1.428 11.071 1.00 53.55 C ATOM 1216 CG PRO A 82 -2.486 -2.775 11.416 1.00 32.33 C ATOM 1217 CD PRO A 82 -1.827 -3.265 10.170 1.00 41.34 C ATOM 0 HA PRO A 82 -2.457 -0.288 9.257 1.00 12.42 H new ATOM 0 HB2 PRO A 82 -3.110 -0.800 11.957 1.00 53.55 H new ATOM 0 HB3 PRO A 82 -4.012 -1.497 10.626 1.00 53.55 H new ATOM 0 HG2 PRO A 82 -1.776 -2.718 12.241 1.00 32.33 H new ATOM 0 HG3 PRO A 82 -3.285 -3.447 11.729 1.00 32.33 H new ATOM 0 HD2 PRO A 82 -1.048 -3.997 10.385 1.00 41.34 H new ATOM 0 HD3 PRO A 82 -2.538 -3.744 9.498 1.00 41.34 H new ATOM 1225 N GLY A 83 -0.003 -0.387 11.373 1.00 50.43 N ATOM 1226 CA GLY A 83 0.936 0.424 12.113 1.00 12.22 C ATOM 1227 C GLY A 83 1.656 1.413 11.225 1.00 15.41 C ATOM 1228 O GLY A 83 1.765 2.596 11.564 1.00 31.14 O ATOM 0 H GLY A 83 0.234 -1.378 11.339 1.00 50.43 H new ATOM 0 HA2 GLY A 83 0.408 0.962 12.900 1.00 12.22 H new ATOM 0 HA3 GLY A 83 1.666 -0.222 12.602 1.00 12.22 H new ATOM 1232 N LEU A 84 2.107 0.949 10.064 1.00 64.22 N ATOM 1233 CA LEU A 84 2.809 1.819 9.128 1.00 62.34 C ATOM 1234 C LEU A 84 1.838 2.845 8.563 1.00 40.43 C ATOM 1235 O LEU A 84 2.166 4.019 8.414 1.00 65.13 O ATOM 1236 CB LEU A 84 3.546 1.012 8.018 1.00 54.14 C ATOM 1237 CG LEU A 84 2.702 0.310 6.938 1.00 61.24 C ATOM 1238 CD1 LEU A 84 2.409 1.235 5.755 1.00 43.35 C ATOM 1239 CD2 LEU A 84 3.366 -0.968 6.472 1.00 43.54 C ATOM 0 H LEU A 84 2.000 -0.016 9.751 1.00 64.22 H new ATOM 0 HA LEU A 84 3.593 2.353 9.664 1.00 62.34 H new ATOM 0 HB2 LEU A 84 4.231 1.693 7.513 1.00 54.14 H new ATOM 0 HB3 LEU A 84 4.155 0.253 8.509 1.00 54.14 H new ATOM 0 HG LEU A 84 1.747 0.050 7.394 1.00 61.24 H new ATOM 0 HD11 LEU A 84 1.812 0.702 5.015 1.00 43.35 H new ATOM 0 HD12 LEU A 84 1.859 2.109 6.104 1.00 43.35 H new ATOM 0 HD13 LEU A 84 3.347 1.554 5.302 1.00 43.35 H new ATOM 0 HD21 LEU A 84 2.748 -1.442 5.710 1.00 43.54 H new ATOM 0 HD22 LEU A 84 4.345 -0.737 6.053 1.00 43.54 H new ATOM 0 HD23 LEU A 84 3.484 -1.646 7.317 1.00 43.54 H new ATOM 1251 N LEU A 85 0.626 2.395 8.278 1.00 35.12 N ATOM 1252 CA LEU A 85 -0.395 3.272 7.753 1.00 14.52 C ATOM 1253 C LEU A 85 -0.759 4.338 8.766 1.00 21.42 C ATOM 1254 O LEU A 85 -0.983 5.468 8.408 1.00 61.55 O ATOM 1255 CB LEU A 85 -1.636 2.493 7.331 1.00 62.33 C ATOM 1256 CG LEU A 85 -1.458 1.508 6.177 1.00 62.51 C ATOM 1257 CD1 LEU A 85 -2.748 0.770 5.931 1.00 43.11 C ATOM 1258 CD2 LEU A 85 -1.019 2.230 4.908 1.00 0.52 C ATOM 0 H LEU A 85 0.331 1.427 8.403 1.00 35.12 H new ATOM 0 HA LEU A 85 0.013 3.758 6.867 1.00 14.52 H new ATOM 0 HB2 LEU A 85 -2.005 1.943 8.196 1.00 62.33 H new ATOM 0 HB3 LEU A 85 -2.411 3.208 7.054 1.00 62.33 H new ATOM 0 HG LEU A 85 -0.680 0.795 6.450 1.00 62.51 H new ATOM 0 HD11 LEU A 85 -2.615 0.069 5.107 1.00 43.11 H new ATOM 0 HD12 LEU A 85 -3.032 0.223 6.830 1.00 43.11 H new ATOM 0 HD13 LEU A 85 -3.532 1.483 5.678 1.00 43.11 H new ATOM 0 HD21 LEU A 85 -0.899 1.507 4.101 1.00 0.52 H new ATOM 0 HD22 LEU A 85 -1.774 2.965 4.628 1.00 0.52 H new ATOM 0 HD23 LEU A 85 -0.070 2.735 5.087 1.00 0.52 H new ATOM 1270 N THR A 86 -0.761 3.967 10.031 1.00 3.32 N ATOM 1271 CA THR A 86 -1.098 4.889 11.114 1.00 72.30 C ATOM 1272 C THR A 86 -0.127 6.086 11.177 1.00 10.10 C ATOM 1273 O THR A 86 -0.566 7.248 11.222 1.00 60.13 O ATOM 1274 CB THR A 86 -1.166 4.157 12.486 1.00 53.03 C ATOM 1275 OG1 THR A 86 -2.205 3.163 12.441 1.00 2.21 O ATOM 1276 CG2 THR A 86 -1.454 5.130 13.633 1.00 73.04 C ATOM 0 H THR A 86 -0.531 3.024 10.343 1.00 3.32 H new ATOM 0 HA THR A 86 -2.090 5.284 10.894 1.00 72.30 H new ATOM 0 HB THR A 86 -0.197 3.693 12.669 1.00 53.03 H new ATOM 0 HG1 THR A 86 -2.025 2.535 11.711 1.00 2.21 H new ATOM 0 HG21 THR A 86 -1.494 4.581 14.574 1.00 73.04 H new ATOM 0 HG22 THR A 86 -0.663 5.878 13.682 1.00 73.04 H new ATOM 0 HG23 THR A 86 -2.410 5.624 13.460 1.00 73.04 H new ATOM 1284 N ILE A 87 1.171 5.811 11.124 1.00 1.40 N ATOM 1285 CA ILE A 87 2.160 6.877 11.203 1.00 60.54 C ATOM 1286 C ILE A 87 2.097 7.776 9.938 1.00 43.44 C ATOM 1287 O ILE A 87 2.113 9.008 10.035 1.00 23.21 O ATOM 1288 CB ILE A 87 3.616 6.312 11.563 1.00 3.43 C ATOM 1289 CG1 ILE A 87 4.709 7.410 11.717 1.00 10.31 C ATOM 1290 CG2 ILE A 87 4.077 5.218 10.612 1.00 4.10 C ATOM 1291 CD1 ILE A 87 5.246 8.002 10.423 1.00 71.25 C ATOM 0 H ILE A 87 1.559 4.872 11.028 1.00 1.40 H new ATOM 0 HA ILE A 87 1.915 7.533 12.038 1.00 60.54 H new ATOM 0 HB ILE A 87 3.489 5.867 12.550 1.00 3.43 H new ATOM 0 HG12 ILE A 87 4.300 8.220 12.321 1.00 10.31 H new ATOM 0 HG13 ILE A 87 5.545 6.987 12.274 1.00 10.31 H new ATOM 0 HG21 ILE A 87 5.069 4.875 10.906 1.00 4.10 H new ATOM 0 HG22 ILE A 87 3.378 4.383 10.652 1.00 4.10 H new ATOM 0 HG23 ILE A 87 4.115 5.611 9.596 1.00 4.10 H new ATOM 0 HD11 ILE A 87 6.000 8.755 10.653 1.00 71.25 H new ATOM 0 HD12 ILE A 87 5.694 7.212 9.820 1.00 71.25 H new ATOM 0 HD13 ILE A 87 4.430 8.464 9.868 1.00 71.25 H new ATOM 1303 N LEU A 88 1.964 7.160 8.774 1.00 73.54 N ATOM 1304 CA LEU A 88 1.833 7.905 7.517 1.00 24.43 C ATOM 1305 C LEU A 88 0.523 8.688 7.435 1.00 3.54 C ATOM 1306 O LEU A 88 0.474 9.784 6.874 1.00 70.24 O ATOM 1307 CB LEU A 88 1.987 7.005 6.295 1.00 34.31 C ATOM 1308 CG LEU A 88 3.416 6.652 5.823 1.00 11.11 C ATOM 1309 CD1 LEU A 88 4.185 7.890 5.391 1.00 34.54 C ATOM 1310 CD2 LEU A 88 4.192 5.890 6.866 1.00 61.51 C ATOM 0 H LEU A 88 1.943 6.146 8.666 1.00 73.54 H new ATOM 0 HA LEU A 88 2.652 8.624 7.514 1.00 24.43 H new ATOM 0 HB2 LEU A 88 1.464 6.071 6.501 1.00 34.31 H new ATOM 0 HB3 LEU A 88 1.470 7.482 5.463 1.00 34.31 H new ATOM 0 HG LEU A 88 3.299 6.000 4.957 1.00 11.11 H new ATOM 0 HD11 LEU A 88 5.185 7.602 5.066 1.00 34.54 H new ATOM 0 HD12 LEU A 88 3.661 8.375 4.567 1.00 34.54 H new ATOM 0 HD13 LEU A 88 4.261 8.582 6.230 1.00 34.54 H new ATOM 0 HD21 LEU A 88 5.189 5.666 6.486 1.00 61.51 H new ATOM 0 HD22 LEU A 88 4.275 6.493 7.770 1.00 61.51 H new ATOM 0 HD23 LEU A 88 3.674 4.959 7.097 1.00 61.51 H new ATOM 1322 N HIS A 89 -0.536 8.123 7.982 1.00 13.14 N ATOM 1323 CA HIS A 89 -1.849 8.762 7.982 1.00 71.24 C ATOM 1324 C HIS A 89 -1.802 10.052 8.794 1.00 11.23 C ATOM 1325 O HIS A 89 -2.462 11.033 8.451 1.00 73.53 O ATOM 1326 CB HIS A 89 -2.935 7.803 8.522 1.00 43.13 C ATOM 1327 CG HIS A 89 -4.339 8.343 8.460 1.00 2.40 C ATOM 1328 ND1 HIS A 89 -5.213 8.334 9.525 1.00 55.42 N ATOM 1329 CD2 HIS A 89 -5.022 8.889 7.420 1.00 73.41 C ATOM 1330 CE1 HIS A 89 -6.368 8.863 9.114 1.00 72.22 C ATOM 1331 NE2 HIS A 89 -6.305 9.218 7.838 1.00 61.42 N ATOM 0 H HIS A 89 -0.517 7.211 8.439 1.00 13.14 H new ATOM 0 HA HIS A 89 -2.114 9.009 6.954 1.00 71.24 H new ATOM 0 HB2 HIS A 89 -2.893 6.873 7.956 1.00 43.13 H new ATOM 0 HB3 HIS A 89 -2.700 7.557 9.558 1.00 43.13 H new ATOM 0 HD2 HIS A 89 -4.629 9.043 6.426 1.00 73.41 H new ATOM 0 HE1 HIS A 89 -7.240 8.986 9.739 1.00 72.22 H new ATOM 0 HE2 HIS A 89 -7.045 9.644 7.280 1.00 61.42 H new ATOM 1339 N ASP A 90 -0.984 10.054 9.839 1.00 12.51 N ATOM 1340 CA ASP A 90 -0.816 11.239 10.689 1.00 45.11 C ATOM 1341 C ASP A 90 -0.128 12.347 9.914 1.00 73.11 C ATOM 1342 O ASP A 90 -0.410 13.530 10.110 1.00 63.02 O ATOM 1343 CB ASP A 90 0.003 10.897 11.933 1.00 53.31 C ATOM 1344 CG ASP A 90 0.142 12.064 12.896 1.00 40.23 C ATOM 1345 OD1 ASP A 90 1.115 12.853 12.791 1.00 23.12 O ATOM 1346 OD2 ASP A 90 -0.699 12.188 13.812 1.00 11.21 O ATOM 0 H ASP A 90 -0.424 9.251 10.123 1.00 12.51 H new ATOM 0 HA ASP A 90 -1.804 11.578 11.000 1.00 45.11 H new ATOM 0 HB2 ASP A 90 -0.466 10.061 12.451 1.00 53.31 H new ATOM 0 HB3 ASP A 90 0.996 10.566 11.627 1.00 53.31 H new ATOM 1351 N GLY A 91 0.728 11.952 8.985 1.00 15.21 N ATOM 1352 CA GLY A 91 1.426 12.911 8.158 1.00 4.53 C ATOM 1353 C GLY A 91 0.594 13.320 6.961 1.00 43.34 C ATOM 1354 O GLY A 91 0.942 14.252 6.238 1.00 42.45 O ATOM 0 H GLY A 91 0.953 10.977 8.789 1.00 15.21 H new ATOM 0 HA2 GLY A 91 1.672 13.793 8.750 1.00 4.53 H new ATOM 0 HA3 GLY A 91 2.369 12.482 7.818 1.00 4.53 H new ATOM 1358 N GLY A 92 -0.506 12.621 6.765 1.00 45.51 N ATOM 1359 CA GLY A 92 -1.405 12.909 5.681 1.00 14.11 C ATOM 1360 C GLY A 92 -0.904 12.378 4.363 1.00 64.30 C ATOM 1361 O GLY A 92 -0.755 13.135 3.401 1.00 30.31 O ATOM 0 H GLY A 92 -0.796 11.841 7.355 1.00 45.51 H new ATOM 0 HA2 GLY A 92 -2.381 12.475 5.897 1.00 14.11 H new ATOM 0 HA3 GLY A 92 -1.545 13.987 5.606 1.00 14.11 H new ATOM 1365 N TYR A 93 -0.635 11.095 4.313 1.00 21.34 N ATOM 1366 CA TYR A 93 -0.141 10.468 3.103 1.00 72.13 C ATOM 1367 C TYR A 93 -1.131 9.486 2.523 1.00 61.44 C ATOM 1368 O TYR A 93 -1.772 8.724 3.254 1.00 32.15 O ATOM 1369 CB TYR A 93 1.199 9.799 3.352 1.00 3.15 C ATOM 1370 CG TYR A 93 2.298 10.786 3.589 1.00 72.04 C ATOM 1371 CD1 TYR A 93 2.954 11.350 2.525 1.00 44.15 C ATOM 1372 CD2 TYR A 93 2.667 11.173 4.867 1.00 21.01 C ATOM 1373 CE1 TYR A 93 3.950 12.261 2.711 1.00 42.43 C ATOM 1374 CE2 TYR A 93 3.669 12.093 5.064 1.00 74.54 C ATOM 1375 CZ TYR A 93 4.311 12.632 3.975 1.00 43.13 C ATOM 1376 OH TYR A 93 5.321 13.558 4.148 1.00 44.54 O ATOM 0 H TYR A 93 -0.750 10.458 5.101 1.00 21.34 H new ATOM 0 HA TYR A 93 -0.004 11.258 2.365 1.00 72.13 H new ATOM 0 HB2 TYR A 93 1.117 9.138 4.215 1.00 3.15 H new ATOM 0 HB3 TYR A 93 1.454 9.175 2.496 1.00 3.15 H new ATOM 0 HD1 TYR A 93 2.676 11.067 1.521 1.00 44.15 H new ATOM 0 HD2 TYR A 93 2.161 10.746 5.720 1.00 21.01 H new ATOM 0 HE1 TYR A 93 4.455 12.690 1.858 1.00 42.43 H new ATOM 0 HE2 TYR A 93 3.949 12.389 6.064 1.00 74.54 H new ATOM 0 HH TYR A 93 6.136 13.102 4.445 1.00 44.54 H new ATOM 1386 N ARG A 94 -1.266 9.525 1.217 1.00 25.34 N ATOM 1387 CA ARG A 94 -2.174 8.650 0.491 1.00 51.42 C ATOM 1388 C ARG A 94 -1.498 7.341 0.124 1.00 12.20 C ATOM 1389 O ARG A 94 -0.281 7.193 0.271 1.00 5.03 O ATOM 1390 CB ARG A 94 -2.734 9.327 -0.762 1.00 40.44 C ATOM 1391 CG ARG A 94 -1.712 9.607 -1.858 1.00 42.11 C ATOM 1392 CD ARG A 94 -2.343 10.417 -2.969 1.00 62.04 C ATOM 1393 NE ARG A 94 -2.829 11.705 -2.462 1.00 63.31 N ATOM 1394 CZ ARG A 94 -3.960 12.314 -2.838 1.00 55.21 C ATOM 1395 NH1 ARG A 94 -4.711 11.804 -3.800 1.00 25.31 N ATOM 1396 NH2 ARG A 94 -4.323 13.438 -2.252 1.00 13.15 N ATOM 0 H ARG A 94 -0.747 10.168 0.619 1.00 25.34 H new ATOM 0 HA ARG A 94 -3.009 8.434 1.158 1.00 51.42 H new ATOM 0 HB2 ARG A 94 -3.523 8.698 -1.174 1.00 40.44 H new ATOM 0 HB3 ARG A 94 -3.198 10.269 -0.470 1.00 40.44 H new ATOM 0 HG2 ARG A 94 -0.862 10.148 -1.442 1.00 42.11 H new ATOM 0 HG3 ARG A 94 -1.329 8.667 -2.256 1.00 42.11 H new ATOM 0 HD2 ARG A 94 -1.614 10.585 -3.762 1.00 62.04 H new ATOM 0 HD3 ARG A 94 -3.170 9.858 -3.408 1.00 62.04 H new ATOM 0 HE ARG A 94 -2.256 12.177 -1.763 1.00 63.31 H new ATOM 0 HH11 ARG A 94 -4.430 10.939 -4.262 1.00 25.31 H new ATOM 0 HH12 ARG A 94 -5.571 12.275 -4.080 1.00 25.31 H new ATOM 0 HH21 ARG A 94 -3.743 13.840 -1.516 1.00 13.15 H new ATOM 0 HH22 ARG A 94 -5.184 13.906 -2.535 1.00 13.15 H new ATOM 1410 N ASP A 95 -2.293 6.431 -0.392 1.00 13.44 N ATOM 1411 CA ASP A 95 -1.888 5.073 -0.782 1.00 25.51 C ATOM 1412 C ASP A 95 -0.692 5.072 -1.736 1.00 71.43 C ATOM 1413 O ASP A 95 0.266 4.314 -1.532 1.00 62.41 O ATOM 1414 CB ASP A 95 -3.081 4.385 -1.466 1.00 32.11 C ATOM 1415 CG ASP A 95 -3.676 5.246 -2.581 1.00 60.13 C ATOM 1416 OD1 ASP A 95 -4.550 6.070 -2.279 1.00 33.34 O ATOM 1417 OD2 ASP A 95 -3.214 5.180 -3.733 1.00 30.44 O ATOM 0 H ASP A 95 -3.282 6.611 -0.564 1.00 13.44 H new ATOM 0 HA ASP A 95 -1.586 4.539 0.119 1.00 25.51 H new ATOM 0 HB2 ASP A 95 -2.760 3.428 -1.879 1.00 32.11 H new ATOM 0 HB3 ASP A 95 -3.850 4.170 -0.724 1.00 32.11 H new ATOM 1422 N THR A 96 -0.734 5.935 -2.727 1.00 64.44 N ATOM 1423 CA THR A 96 0.307 6.057 -3.708 1.00 25.21 C ATOM 1424 C THR A 96 1.633 6.428 -3.026 1.00 73.01 C ATOM 1425 O THR A 96 2.672 5.873 -3.336 1.00 41.52 O ATOM 1426 CB THR A 96 -0.082 7.117 -4.740 1.00 23.41 C ATOM 1427 OG1 THR A 96 -1.469 6.920 -5.108 1.00 31.13 O ATOM 1428 CG2 THR A 96 0.792 6.997 -5.982 1.00 4.14 C ATOM 0 H THR A 96 -1.510 6.581 -2.871 1.00 64.44 H new ATOM 0 HA THR A 96 0.438 5.102 -4.217 1.00 25.21 H new ATOM 0 HB THR A 96 0.059 8.108 -4.309 1.00 23.41 H new ATOM 0 HG1 THR A 96 -1.653 5.961 -5.187 1.00 31.13 H new ATOM 0 HG21 THR A 96 0.502 7.758 -6.706 1.00 4.14 H new ATOM 0 HG22 THR A 96 1.837 7.138 -5.706 1.00 4.14 H new ATOM 0 HG23 THR A 96 0.663 6.009 -6.424 1.00 4.14 H new ATOM 1436 N GLU A 97 1.556 7.339 -2.055 1.00 33.44 N ATOM 1437 CA GLU A 97 2.723 7.769 -1.291 1.00 4.24 C ATOM 1438 C GLU A 97 3.301 6.604 -0.506 1.00 34.41 C ATOM 1439 O GLU A 97 4.505 6.379 -0.528 1.00 73.55 O ATOM 1440 CB GLU A 97 2.349 8.906 -0.330 1.00 23.24 C ATOM 1441 CG GLU A 97 2.104 10.246 -0.998 1.00 14.31 C ATOM 1442 CD GLU A 97 3.393 10.937 -1.407 1.00 1.34 C ATOM 1443 OE1 GLU A 97 4.108 10.434 -2.285 1.00 0.22 O ATOM 1444 OE2 GLU A 97 3.713 11.990 -0.832 1.00 3.22 O ATOM 0 H GLU A 97 0.687 7.796 -1.779 1.00 33.44 H new ATOM 0 HA GLU A 97 3.474 8.132 -1.993 1.00 4.24 H new ATOM 0 HB2 GLU A 97 1.452 8.619 0.219 1.00 23.24 H new ATOM 0 HB3 GLU A 97 3.147 9.021 0.403 1.00 23.24 H new ATOM 0 HG2 GLU A 97 1.479 10.100 -1.879 1.00 14.31 H new ATOM 0 HG3 GLU A 97 1.550 10.892 -0.317 1.00 14.31 H new ATOM 1451 N ILE A 98 2.424 5.825 0.123 1.00 21.31 N ATOM 1452 CA ILE A 98 2.847 4.707 0.973 1.00 34.41 C ATOM 1453 C ILE A 98 3.626 3.701 0.132 1.00 72.23 C ATOM 1454 O ILE A 98 4.736 3.297 0.475 1.00 44.25 O ATOM 1455 CB ILE A 98 1.624 3.935 1.576 1.00 42.31 C ATOM 1456 CG1 ILE A 98 0.581 4.871 2.198 1.00 14.04 C ATOM 1457 CG2 ILE A 98 2.083 2.916 2.605 1.00 41.23 C ATOM 1458 CD1 ILE A 98 1.111 5.806 3.247 1.00 32.51 C ATOM 0 H ILE A 98 1.413 5.945 0.062 1.00 21.31 H new ATOM 0 HA ILE A 98 3.449 5.128 1.778 1.00 34.41 H new ATOM 0 HB ILE A 98 1.144 3.420 0.744 1.00 42.31 H new ATOM 0 HG12 ILE A 98 0.125 5.462 1.403 1.00 14.04 H new ATOM 0 HG13 ILE A 98 -0.211 4.266 2.639 1.00 14.04 H new ATOM 0 HG21 ILE A 98 1.217 2.392 3.010 1.00 41.23 H new ATOM 0 HG22 ILE A 98 2.753 2.198 2.132 1.00 41.23 H new ATOM 0 HG23 ILE A 98 2.609 3.426 3.412 1.00 41.23 H new ATOM 0 HD11 ILE A 98 0.298 6.426 3.626 1.00 32.51 H new ATOM 0 HD12 ILE A 98 1.539 5.229 4.066 1.00 32.51 H new ATOM 0 HD13 ILE A 98 1.881 6.443 2.811 1.00 32.51 H new ATOM 1470 N MET A 99 3.058 3.364 -1.002 1.00 34.52 N ATOM 1471 CA MET A 99 3.635 2.370 -1.884 1.00 43.12 C ATOM 1472 C MET A 99 4.842 2.914 -2.627 1.00 43.22 C ATOM 1473 O MET A 99 5.690 2.150 -3.075 1.00 65.34 O ATOM 1474 CB MET A 99 2.585 1.839 -2.855 1.00 61.42 C ATOM 1475 CG MET A 99 1.364 1.276 -2.157 1.00 0.44 C ATOM 1476 SD MET A 99 0.180 0.543 -3.281 1.00 71.12 S ATOM 1477 CE MET A 99 -1.190 0.267 -2.162 1.00 54.12 C ATOM 0 H MET A 99 2.185 3.768 -1.341 1.00 34.52 H new ATOM 0 HA MET A 99 3.982 1.540 -1.268 1.00 43.12 H new ATOM 0 HB2 MET A 99 2.276 2.643 -3.523 1.00 61.42 H new ATOM 0 HB3 MET A 99 3.032 1.063 -3.476 1.00 61.42 H new ATOM 0 HG2 MET A 99 1.682 0.524 -1.434 1.00 0.44 H new ATOM 0 HG3 MET A 99 0.876 2.072 -1.595 1.00 0.44 H new ATOM 0 HE1 MET A 99 -1.991 -0.252 -2.688 1.00 54.12 H new ATOM 0 HE2 MET A 99 -0.856 -0.340 -1.320 1.00 54.12 H new ATOM 0 HE3 MET A 99 -1.559 1.225 -1.795 1.00 54.12 H new ATOM 1487 N ARG A 100 4.927 4.231 -2.716 1.00 72.52 N ATOM 1488 CA ARG A 100 6.004 4.908 -3.411 1.00 33.41 C ATOM 1489 C ARG A 100 7.355 4.502 -2.831 1.00 14.21 C ATOM 1490 O ARG A 100 8.140 3.827 -3.494 1.00 32.25 O ATOM 1491 CB ARG A 100 5.776 6.414 -3.318 1.00 55.55 C ATOM 1492 CG ARG A 100 6.873 7.297 -3.846 1.00 30.21 C ATOM 1493 CD ARG A 100 6.486 8.740 -3.629 1.00 51.25 C ATOM 1494 NE ARG A 100 7.582 9.665 -3.880 1.00 14.03 N ATOM 1495 CZ ARG A 100 7.586 10.935 -3.456 1.00 53.10 C ATOM 1496 NH1 ARG A 100 6.516 11.441 -2.838 1.00 74.21 N ATOM 1497 NH2 ARG A 100 8.653 11.698 -3.649 1.00 53.52 N ATOM 0 H ARG A 100 4.242 4.864 -2.303 1.00 72.52 H new ATOM 0 HA ARG A 100 6.012 4.618 -4.462 1.00 33.41 H new ATOM 0 HB2 ARG A 100 4.858 6.653 -3.856 1.00 55.55 H new ATOM 0 HB3 ARG A 100 5.608 6.669 -2.272 1.00 55.55 H new ATOM 0 HG2 ARG A 100 7.811 7.078 -3.337 1.00 30.21 H new ATOM 0 HG3 ARG A 100 7.034 7.105 -4.907 1.00 30.21 H new ATOM 0 HD2 ARG A 100 5.650 8.989 -4.283 1.00 51.25 H new ATOM 0 HD3 ARG A 100 6.138 8.867 -2.604 1.00 51.25 H new ATOM 0 HE ARG A 100 8.388 9.328 -4.406 1.00 14.03 H new ATOM 0 HH11 ARG A 100 5.692 10.860 -2.687 1.00 74.21 H new ATOM 0 HH12 ARG A 100 6.523 12.409 -2.516 1.00 74.21 H new ATOM 0 HH21 ARG A 100 9.473 11.318 -4.121 1.00 53.52 H new ATOM 0 HH22 ARG A 100 8.654 12.665 -3.325 1.00 53.52 H new ATOM 1511 N TRP A 101 7.605 4.865 -1.591 1.00 31.14 N ATOM 1512 CA TRP A 101 8.864 4.516 -0.949 1.00 5.10 C ATOM 1513 C TRP A 101 8.997 3.018 -0.671 1.00 2.34 C ATOM 1514 O TRP A 101 10.087 2.468 -0.765 1.00 62.22 O ATOM 1515 CB TRP A 101 9.148 5.374 0.292 1.00 32.43 C ATOM 1516 CG TRP A 101 7.989 5.536 1.224 1.00 62.10 C ATOM 1517 CD1 TRP A 101 7.131 6.583 1.252 1.00 55.44 C ATOM 1518 CD2 TRP A 101 7.558 4.639 2.254 1.00 1.22 C ATOM 1519 NE1 TRP A 101 6.203 6.411 2.238 1.00 25.34 N ATOM 1520 CE2 TRP A 101 6.442 5.225 2.867 1.00 41.43 C ATOM 1521 CE3 TRP A 101 8.008 3.404 2.724 1.00 61.14 C ATOM 1522 CZ2 TRP A 101 5.772 4.625 3.911 1.00 1.42 C ATOM 1523 CZ3 TRP A 101 7.335 2.808 3.761 1.00 52.01 C ATOM 1524 CH2 TRP A 101 6.230 3.419 4.349 1.00 72.12 C ATOM 0 H TRP A 101 6.961 5.398 -1.007 1.00 31.14 H new ATOM 0 HA TRP A 101 9.644 4.754 -1.672 1.00 5.10 H new ATOM 0 HB2 TRP A 101 9.978 4.929 0.841 1.00 32.43 H new ATOM 0 HB3 TRP A 101 9.474 6.362 -0.034 1.00 32.43 H new ATOM 0 HD1 TRP A 101 7.175 7.434 0.588 1.00 55.44 H new ATOM 0 HE1 TRP A 101 5.453 7.063 2.467 1.00 25.34 H new ATOM 0 HE3 TRP A 101 8.869 2.927 2.280 1.00 61.14 H new ATOM 0 HZ2 TRP A 101 4.913 5.095 4.367 1.00 1.42 H new ATOM 0 HZ3 TRP A 101 7.668 1.848 4.128 1.00 52.01 H new ATOM 0 HH2 TRP A 101 5.726 2.927 5.168 1.00 72.12 H new ATOM 1535 N LEU A 102 7.873 2.365 -0.380 1.00 5.44 N ATOM 1536 CA LEU A 102 7.845 0.929 -0.079 1.00 11.44 C ATOM 1537 C LEU A 102 8.425 0.078 -1.195 1.00 54.33 C ATOM 1538 O LEU A 102 9.153 -0.888 -0.940 1.00 64.33 O ATOM 1539 CB LEU A 102 6.416 0.471 0.218 1.00 45.10 C ATOM 1540 CG LEU A 102 5.963 0.482 1.668 1.00 71.25 C ATOM 1541 CD1 LEU A 102 4.488 0.173 1.746 1.00 50.44 C ATOM 1542 CD2 LEU A 102 6.732 -0.555 2.450 1.00 44.43 C ATOM 0 H LEU A 102 6.957 2.812 -0.345 1.00 5.44 H new ATOM 0 HA LEU A 102 8.474 0.789 0.800 1.00 11.44 H new ATOM 0 HB2 LEU A 102 5.735 1.103 -0.352 1.00 45.10 H new ATOM 0 HB3 LEU A 102 6.302 -0.544 -0.162 1.00 45.10 H new ATOM 0 HG LEU A 102 6.149 1.469 2.090 1.00 71.25 H new ATOM 0 HD11 LEU A 102 4.169 0.182 2.788 1.00 50.44 H new ATOM 0 HD12 LEU A 102 3.929 0.925 1.189 1.00 50.44 H new ATOM 0 HD13 LEU A 102 4.299 -0.811 1.318 1.00 50.44 H new ATOM 0 HD21 LEU A 102 6.404 -0.544 3.489 1.00 44.43 H new ATOM 0 HD22 LEU A 102 6.551 -1.541 2.023 1.00 44.43 H new ATOM 0 HD23 LEU A 102 7.797 -0.330 2.403 1.00 44.43 H new ATOM 1554 N PHE A 103 8.123 0.431 -2.413 1.00 72.11 N ATOM 1555 CA PHE A 103 8.577 -0.349 -3.536 1.00 21.23 C ATOM 1556 C PHE A 103 9.809 0.230 -4.181 1.00 34.25 C ATOM 1557 O PHE A 103 10.297 -0.291 -5.186 1.00 25.53 O ATOM 1558 CB PHE A 103 7.465 -0.538 -4.545 1.00 60.34 C ATOM 1559 CG PHE A 103 6.337 -1.376 -4.025 1.00 0.44 C ATOM 1560 CD1 PHE A 103 6.391 -2.747 -4.118 1.00 23.13 C ATOM 1561 CD2 PHE A 103 5.222 -0.794 -3.457 1.00 1.52 C ATOM 1562 CE1 PHE A 103 5.349 -3.520 -3.666 1.00 13.20 C ATOM 1563 CE2 PHE A 103 4.180 -1.556 -2.999 1.00 61.11 C ATOM 1564 CZ PHE A 103 4.238 -2.915 -3.107 1.00 41.25 C ATOM 0 H PHE A 103 7.566 1.251 -2.656 1.00 72.11 H new ATOM 0 HA PHE A 103 8.861 -1.328 -3.150 1.00 21.23 H new ATOM 0 HB2 PHE A 103 7.079 0.438 -4.839 1.00 60.34 H new ATOM 0 HB3 PHE A 103 7.872 -1.003 -5.443 1.00 60.34 H new ATOM 0 HD1 PHE A 103 7.260 -3.220 -4.550 1.00 23.13 H new ATOM 0 HD2 PHE A 103 5.170 0.281 -3.372 1.00 1.52 H new ATOM 0 HE1 PHE A 103 5.397 -4.596 -3.747 1.00 13.20 H new ATOM 0 HE2 PHE A 103 3.317 -1.083 -2.554 1.00 61.11 H new ATOM 0 HZ PHE A 103 3.415 -3.519 -2.755 1.00 41.25 H new ATOM 1574 N THR A 104 10.320 1.278 -3.613 1.00 31.30 N ATOM 1575 CA THR A 104 11.517 1.873 -4.107 1.00 45.51 C ATOM 1576 C THR A 104 12.728 1.205 -3.476 1.00 33.42 C ATOM 1577 O THR A 104 12.844 1.171 -2.247 1.00 33.11 O ATOM 1578 CB THR A 104 11.533 3.404 -3.847 1.00 41.41 C ATOM 1579 OG1 THR A 104 10.480 4.024 -4.603 1.00 11.24 O ATOM 1580 CG2 THR A 104 12.866 4.037 -4.242 1.00 2.40 C ATOM 0 H THR A 104 9.919 1.741 -2.798 1.00 31.30 H new ATOM 0 HA THR A 104 11.555 1.723 -5.186 1.00 45.51 H new ATOM 0 HB THR A 104 11.388 3.561 -2.778 1.00 41.41 H new ATOM 0 HG1 THR A 104 9.631 3.926 -4.123 1.00 11.24 H new ATOM 0 HG21 THR A 104 12.833 5.108 -4.043 1.00 2.40 H new ATOM 0 HG22 THR A 104 13.670 3.585 -3.661 1.00 2.40 H new ATOM 0 HG23 THR A 104 13.048 3.870 -5.304 1.00 2.40 H new ATOM 1588 N PRO A 105 13.606 0.596 -4.293 1.00 23.40 N ATOM 1589 CA PRO A 105 14.856 0.060 -3.799 1.00 40.01 C ATOM 1590 C PRO A 105 15.685 1.208 -3.251 1.00 22.42 C ATOM 1591 O PRO A 105 15.871 2.236 -3.926 1.00 43.24 O ATOM 1592 CB PRO A 105 15.522 -0.525 -5.055 1.00 31.22 C ATOM 1593 CG PRO A 105 14.404 -0.740 -6.010 1.00 1.11 C ATOM 1594 CD PRO A 105 13.441 0.371 -5.743 1.00 12.13 C ATOM 0 HA PRO A 105 14.741 -0.680 -3.007 1.00 40.01 H new ATOM 0 HB2 PRO A 105 16.266 0.159 -5.464 1.00 31.22 H new ATOM 0 HB3 PRO A 105 16.037 -1.459 -4.831 1.00 31.22 H new ATOM 0 HG2 PRO A 105 14.757 -0.716 -7.041 1.00 1.11 H new ATOM 0 HG3 PRO A 105 13.936 -1.712 -5.856 1.00 1.11 H new ATOM 0 HD2 PRO A 105 13.680 1.263 -6.322 1.00 12.13 H new ATOM 0 HD3 PRO A 105 12.418 0.091 -5.996 1.00 12.13 H new ATOM 1602 N ASP A 106 16.158 1.066 -2.061 1.00 21.35 N ATOM 1603 CA ASP A 106 16.891 2.130 -1.443 1.00 10.24 C ATOM 1604 C ASP A 106 18.377 1.871 -1.549 1.00 72.43 C ATOM 1605 O ASP A 106 18.863 0.830 -1.095 1.00 3.42 O ATOM 1606 CB ASP A 106 16.461 2.322 0.007 1.00 24.40 C ATOM 1607 CG ASP A 106 17.157 3.481 0.675 1.00 13.41 C ATOM 1608 OD1 ASP A 106 16.770 4.638 0.429 1.00 55.33 O ATOM 1609 OD2 ASP A 106 18.089 3.276 1.458 1.00 11.21 O ATOM 0 H ASP A 106 16.053 0.226 -1.492 1.00 21.35 H new ATOM 0 HA ASP A 106 16.669 3.057 -1.972 1.00 10.24 H new ATOM 0 HB2 ASP A 106 15.383 2.482 0.043 1.00 24.40 H new ATOM 0 HB3 ASP A 106 16.667 1.409 0.566 1.00 24.40 H new ATOM 1614 N PRO A 107 19.127 2.813 -2.160 1.00 63.12 N ATOM 1615 CA PRO A 107 20.575 2.670 -2.397 1.00 65.14 C ATOM 1616 C PRO A 107 21.395 2.506 -1.115 1.00 42.31 C ATOM 1617 O PRO A 107 22.524 2.015 -1.147 1.00 64.13 O ATOM 1618 CB PRO A 107 20.961 3.971 -3.117 1.00 43.10 C ATOM 1619 CG PRO A 107 19.862 4.926 -2.812 1.00 35.13 C ATOM 1620 CD PRO A 107 18.621 4.100 -2.685 1.00 60.35 C ATOM 0 HA PRO A 107 20.786 1.766 -2.969 1.00 65.14 H new ATOM 0 HB2 PRO A 107 21.920 4.348 -2.762 1.00 43.10 H new ATOM 0 HB3 PRO A 107 21.059 3.813 -4.191 1.00 43.10 H new ATOM 0 HG2 PRO A 107 20.064 5.471 -1.890 1.00 35.13 H new ATOM 0 HG3 PRO A 107 19.758 5.667 -3.604 1.00 35.13 H new ATOM 0 HD2 PRO A 107 17.900 4.557 -2.007 1.00 60.35 H new ATOM 0 HD3 PRO A 107 18.120 3.975 -3.645 1.00 60.35 H new ATOM 1628 N SER A 108 20.830 2.895 -0.005 1.00 64.03 N ATOM 1629 CA SER A 108 21.508 2.809 1.250 1.00 10.30 C ATOM 1630 C SER A 108 20.937 1.693 2.134 1.00 31.45 C ATOM 1631 O SER A 108 21.392 1.491 3.255 1.00 21.55 O ATOM 1632 CB SER A 108 21.472 4.178 1.941 1.00 2.21 C ATOM 1633 OG SER A 108 20.163 4.777 1.874 1.00 1.44 O ATOM 0 H SER A 108 19.887 3.280 0.050 1.00 64.03 H new ATOM 0 HA SER A 108 22.549 2.540 1.072 1.00 10.30 H new ATOM 0 HB2 SER A 108 21.768 4.066 2.984 1.00 2.21 H new ATOM 0 HB3 SER A 108 22.199 4.841 1.473 1.00 2.21 H new ATOM 0 HG SER A 108 19.491 4.079 1.727 1.00 1.44 H new ATOM 1639 N LEU A 109 19.987 0.939 1.603 1.00 54.21 N ATOM 1640 CA LEU A 109 19.340 -0.099 2.369 1.00 4.14 C ATOM 1641 C LEU A 109 19.875 -1.466 1.991 1.00 71.31 C ATOM 1642 O LEU A 109 20.007 -1.808 0.814 1.00 13.41 O ATOM 1643 CB LEU A 109 17.825 -0.064 2.166 1.00 42.51 C ATOM 1644 CG LEU A 109 16.996 -1.062 2.988 1.00 15.22 C ATOM 1645 CD1 LEU A 109 17.132 -0.789 4.479 1.00 20.55 C ATOM 1646 CD2 LEU A 109 15.538 -1.015 2.566 1.00 1.01 C ATOM 0 H LEU A 109 19.651 1.031 0.644 1.00 54.21 H new ATOM 0 HA LEU A 109 19.559 0.085 3.421 1.00 4.14 H new ATOM 0 HB2 LEU A 109 17.474 0.942 2.397 1.00 42.51 H new ATOM 0 HB3 LEU A 109 17.619 -0.239 1.110 1.00 42.51 H new ATOM 0 HG LEU A 109 17.381 -2.063 2.794 1.00 15.22 H new ATOM 0 HD11 LEU A 109 16.535 -1.510 5.037 1.00 20.55 H new ATOM 0 HD12 LEU A 109 18.178 -0.880 4.772 1.00 20.55 H new ATOM 0 HD13 LEU A 109 16.781 0.219 4.698 1.00 20.55 H new ATOM 0 HD21 LEU A 109 14.965 -1.728 3.158 1.00 1.01 H new ATOM 0 HD22 LEU A 109 15.145 -0.011 2.727 1.00 1.01 H new ATOM 0 HD23 LEU A 109 15.456 -1.272 1.510 1.00 1.01 H new ATOM 1658 N THR A 110 20.225 -2.210 2.984 1.00 1.15 N ATOM 1659 CA THR A 110 20.679 -3.553 2.845 1.00 24.31 C ATOM 1660 C THR A 110 19.897 -4.413 3.857 1.00 41.04 C ATOM 1661 O THR A 110 19.952 -4.159 5.063 1.00 41.43 O ATOM 1662 CB THR A 110 22.195 -3.600 3.110 1.00 33.24 C ATOM 1663 OG1 THR A 110 22.836 -2.618 2.261 1.00 3.33 O ATOM 1664 CG2 THR A 110 22.765 -4.966 2.788 1.00 11.53 C ATOM 0 H THR A 110 20.202 -1.888 3.952 1.00 1.15 H new ATOM 0 HA THR A 110 20.507 -3.937 1.840 1.00 24.31 H new ATOM 0 HB THR A 110 22.375 -3.390 4.164 1.00 33.24 H new ATOM 0 HG1 THR A 110 23.803 -2.632 2.417 1.00 3.33 H new ATOM 0 HG21 THR A 110 23.837 -4.969 2.985 1.00 11.53 H new ATOM 0 HG22 THR A 110 22.280 -5.718 3.410 1.00 11.53 H new ATOM 0 HG23 THR A 110 22.589 -5.195 1.737 1.00 11.53 H new ATOM 1672 N ILE A 111 19.140 -5.382 3.363 1.00 60.33 N ATOM 1673 CA ILE A 111 18.248 -6.187 4.208 1.00 50.34 C ATOM 1674 C ILE A 111 18.306 -7.664 3.895 1.00 62.31 C ATOM 1675 O ILE A 111 18.773 -8.065 2.847 1.00 62.42 O ATOM 1676 CB ILE A 111 16.786 -5.708 4.152 1.00 24.20 C ATOM 1677 CG1 ILE A 111 16.366 -5.450 2.694 1.00 65.42 C ATOM 1678 CG2 ILE A 111 16.586 -4.498 5.047 1.00 33.21 C ATOM 1679 CD1 ILE A 111 14.944 -4.981 2.520 1.00 24.45 C ATOM 0 H ILE A 111 19.121 -5.637 2.375 1.00 60.33 H new ATOM 0 HA ILE A 111 18.624 -6.041 5.221 1.00 50.34 H new ATOM 0 HB ILE A 111 16.133 -6.491 4.537 1.00 24.20 H new ATOM 0 HG12 ILE A 111 17.035 -4.704 2.264 1.00 65.42 H new ATOM 0 HG13 ILE A 111 16.503 -6.368 2.123 1.00 65.42 H new ATOM 0 HG21 ILE A 111 15.547 -4.174 4.994 1.00 33.21 H new ATOM 0 HG22 ILE A 111 16.832 -4.762 6.076 1.00 33.21 H new ATOM 0 HG23 ILE A 111 17.236 -3.688 4.715 1.00 33.21 H new ATOM 0 HD11 ILE A 111 14.739 -4.826 1.461 1.00 24.45 H new ATOM 0 HD12 ILE A 111 14.262 -5.734 2.915 1.00 24.45 H new ATOM 0 HD13 ILE A 111 14.801 -4.044 3.058 1.00 24.45 H new ATOM 1805 N VAL A 120 20.933 -8.334 1.321 1.00 33.23 N ATOM 1806 CA VAL A 120 20.920 -7.872 -0.027 1.00 75.45 C ATOM 1807 C VAL A 120 20.826 -6.357 -0.031 1.00 72.44 C ATOM 1808 O VAL A 120 19.986 -5.762 0.662 1.00 13.20 O ATOM 1809 CB VAL A 120 19.714 -8.478 -0.810 1.00 50.32 C ATOM 1810 CG1 VAL A 120 19.713 -8.029 -2.267 1.00 75.42 C ATOM 1811 CG2 VAL A 120 19.725 -9.999 -0.721 1.00 61.53 C ATOM 0 HA VAL A 120 21.839 -8.190 -0.519 1.00 75.45 H new ATOM 0 HB VAL A 120 18.800 -8.108 -0.346 1.00 50.32 H new ATOM 0 HG11 VAL A 120 18.860 -8.469 -2.783 1.00 75.42 H new ATOM 0 HG12 VAL A 120 19.643 -6.942 -2.313 1.00 75.42 H new ATOM 0 HG13 VAL A 120 20.635 -8.354 -2.748 1.00 75.42 H new ATOM 0 HG21 VAL A 120 18.876 -10.402 -1.273 1.00 61.53 H new ATOM 0 HG22 VAL A 120 20.651 -10.382 -1.149 1.00 61.53 H new ATOM 0 HG23 VAL A 120 19.655 -10.303 0.323 1.00 61.53 H new ATOM 1821 N SER A 121 21.707 -5.759 -0.750 1.00 34.10 N ATOM 1822 CA SER A 121 21.792 -4.337 -0.891 1.00 12.43 C ATOM 1823 C SER A 121 20.818 -3.822 -1.963 1.00 11.44 C ATOM 1824 O SER A 121 20.416 -4.582 -2.862 1.00 70.23 O ATOM 1825 CB SER A 121 23.233 -4.019 -1.256 1.00 14.24 C ATOM 1826 OG SER A 121 23.705 -4.962 -2.226 1.00 11.43 O ATOM 0 H SER A 121 22.420 -6.260 -1.280 1.00 34.10 H new ATOM 0 HA SER A 121 21.510 -3.840 0.037 1.00 12.43 H new ATOM 0 HB2 SER A 121 23.302 -3.007 -1.655 1.00 14.24 H new ATOM 0 HB3 SER A 121 23.860 -4.054 -0.365 1.00 14.24 H new ATOM 0 HG SER A 121 24.633 -4.753 -2.460 1.00 11.43 H new ATOM 1832 N ASN A 122 20.415 -2.552 -1.832 1.00 43.42 N ATOM 1833 CA ASN A 122 19.551 -1.847 -2.796 1.00 74.12 C ATOM 1834 C ASN A 122 18.194 -2.513 -2.895 1.00 14.42 C ATOM 1835 O ASN A 122 17.616 -2.630 -3.977 1.00 33.35 O ATOM 1836 CB ASN A 122 20.214 -1.776 -4.184 1.00 31.11 C ATOM 1837 CG ASN A 122 21.541 -1.045 -4.180 1.00 61.32 C ATOM 1838 OD1 ASN A 122 21.764 -0.137 -3.384 1.00 51.03 O ATOM 1839 ND2 ASN A 122 22.430 -1.432 -5.060 1.00 3.24 N ATOM 0 H ASN A 122 20.684 -1.971 -1.038 1.00 43.42 H new ATOM 0 HA ASN A 122 19.410 -0.830 -2.431 1.00 74.12 H new ATOM 0 HB2 ASN A 122 20.366 -2.788 -4.558 1.00 31.11 H new ATOM 0 HB3 ASN A 122 19.536 -1.279 -4.877 1.00 31.11 H new ATOM 0 HD21 ASN A 122 23.341 -0.976 -5.099 1.00 3.24 H new ATOM 0 HD22 ASN A 122 22.211 -2.190 -5.707 1.00 3.24 H new ATOM 1846 N ALA A 123 17.669 -2.921 -1.770 1.00 42.44 N ATOM 1847 CA ALA A 123 16.396 -3.603 -1.747 1.00 43.01 C ATOM 1848 C ALA A 123 15.277 -2.651 -1.335 1.00 55.20 C ATOM 1849 O ALA A 123 15.537 -1.490 -0.982 1.00 62.11 O ATOM 1850 CB ALA A 123 16.459 -4.817 -0.843 1.00 1.10 C ATOM 0 H ALA A 123 18.101 -2.794 -0.855 1.00 42.44 H new ATOM 0 HA ALA A 123 16.171 -3.952 -2.755 1.00 43.01 H new ATOM 0 HB1 ALA A 123 15.491 -5.318 -0.838 1.00 1.10 H new ATOM 0 HB2 ALA A 123 17.221 -5.504 -1.209 1.00 1.10 H new ATOM 0 HB3 ALA A 123 16.710 -4.503 0.170 1.00 1.10 H new ATOM 1856 N ARG A 124 14.053 -3.130 -1.388 1.00 75.34 N ATOM 1857 CA ARG A 124 12.888 -2.319 -1.078 1.00 74.02 C ATOM 1858 C ARG A 124 12.348 -2.640 0.328 1.00 23.15 C ATOM 1859 O ARG A 124 12.385 -3.797 0.759 1.00 4.13 O ATOM 1860 CB ARG A 124 11.790 -2.537 -2.139 1.00 33.11 C ATOM 1861 CG ARG A 124 11.311 -3.977 -2.259 1.00 42.25 C ATOM 1862 CD ARG A 124 10.247 -4.126 -3.324 1.00 54.12 C ATOM 1863 NE ARG A 124 9.786 -5.517 -3.468 1.00 2.41 N ATOM 1864 CZ ARG A 124 9.081 -5.983 -4.526 1.00 3.41 C ATOM 1865 NH1 ARG A 124 8.899 -5.214 -5.599 1.00 40.15 N ATOM 1866 NH2 ARG A 124 8.612 -7.228 -4.533 1.00 71.52 N ATOM 0 H ARG A 124 13.834 -4.092 -1.647 1.00 75.34 H new ATOM 0 HA ARG A 124 13.189 -1.271 -1.092 1.00 74.02 H new ATOM 0 HB2 ARG A 124 10.938 -1.902 -1.898 1.00 33.11 H new ATOM 0 HB3 ARG A 124 12.168 -2.210 -3.108 1.00 33.11 H new ATOM 0 HG2 ARG A 124 12.156 -4.623 -2.496 1.00 42.25 H new ATOM 0 HG3 ARG A 124 10.915 -4.310 -1.300 1.00 42.25 H new ATOM 0 HD2 ARG A 124 9.398 -3.489 -3.077 1.00 54.12 H new ATOM 0 HD3 ARG A 124 10.641 -3.776 -4.278 1.00 54.12 H new ATOM 0 HE ARG A 124 10.013 -6.173 -2.721 1.00 2.41 H new ATOM 0 HH11 ARG A 124 9.291 -4.273 -5.624 1.00 40.15 H new ATOM 0 HH12 ARG A 124 8.368 -5.567 -6.395 1.00 40.15 H new ATOM 0 HH21 ARG A 124 8.782 -7.842 -3.736 1.00 71.52 H new ATOM 0 HH22 ARG A 124 8.082 -7.569 -5.335 1.00 71.52 H new ATOM 1880 N PRO A 125 11.846 -1.614 1.064 1.00 33.01 N ATOM 1881 CA PRO A 125 11.284 -1.773 2.430 1.00 70.41 C ATOM 1882 C PRO A 125 10.172 -2.855 2.551 1.00 63.13 C ATOM 1883 O PRO A 125 9.955 -3.409 3.634 1.00 11.51 O ATOM 1884 CB PRO A 125 10.720 -0.384 2.742 1.00 14.33 C ATOM 1885 CG PRO A 125 11.539 0.544 1.922 1.00 54.32 C ATOM 1886 CD PRO A 125 11.838 -0.188 0.647 1.00 24.33 C ATOM 0 HA PRO A 125 12.050 -2.120 3.124 1.00 70.41 H new ATOM 0 HB2 PRO A 125 9.664 -0.317 2.481 1.00 14.33 H new ATOM 0 HB3 PRO A 125 10.801 -0.152 3.804 1.00 14.33 H new ATOM 0 HG2 PRO A 125 10.999 1.470 1.723 1.00 54.32 H new ATOM 0 HG3 PRO A 125 12.458 0.816 2.441 1.00 54.32 H new ATOM 0 HD2 PRO A 125 11.081 0.004 -0.114 1.00 24.33 H new ATOM 0 HD3 PRO A 125 12.797 0.113 0.226 1.00 24.33 H new ATOM 1894 N VAL A 126 9.491 -3.161 1.444 1.00 24.13 N ATOM 1895 CA VAL A 126 8.460 -4.226 1.423 1.00 61.01 C ATOM 1896 C VAL A 126 9.079 -5.576 1.798 1.00 33.51 C ATOM 1897 O VAL A 126 8.507 -6.377 2.545 1.00 60.13 O ATOM 1898 CB VAL A 126 7.799 -4.355 0.020 1.00 41.24 C ATOM 1899 CG1 VAL A 126 6.871 -5.547 -0.034 1.00 31.54 C ATOM 1900 CG2 VAL A 126 7.025 -3.111 -0.320 1.00 65.11 C ATOM 0 H VAL A 126 9.627 -2.693 0.548 1.00 24.13 H new ATOM 0 HA VAL A 126 7.697 -3.948 2.150 1.00 61.01 H new ATOM 0 HB VAL A 126 8.599 -4.493 -0.707 1.00 41.24 H new ATOM 0 HG11 VAL A 126 6.422 -5.614 -1.025 1.00 31.54 H new ATOM 0 HG12 VAL A 126 7.435 -6.457 0.171 1.00 31.54 H new ATOM 0 HG13 VAL A 126 6.086 -5.431 0.713 1.00 31.54 H new ATOM 0 HG21 VAL A 126 6.571 -3.223 -1.305 1.00 65.11 H new ATOM 0 HG22 VAL A 126 6.244 -2.954 0.424 1.00 65.11 H new ATOM 0 HG23 VAL A 126 7.698 -2.254 -0.326 1.00 65.11 H new ATOM 1910 N ASP A 127 10.250 -5.795 1.306 1.00 74.21 N ATOM 1911 CA ASP A 127 10.972 -7.018 1.564 1.00 23.14 C ATOM 1912 C ASP A 127 11.429 -7.067 3.011 1.00 2.00 C ATOM 1913 O ASP A 127 11.530 -8.137 3.611 1.00 42.13 O ATOM 1914 CB ASP A 127 12.151 -7.156 0.610 1.00 31.01 C ATOM 1915 CG ASP A 127 11.757 -7.488 -0.818 1.00 11.40 C ATOM 1916 OD1 ASP A 127 10.726 -6.971 -1.323 1.00 21.41 O ATOM 1917 OD2 ASP A 127 12.505 -8.240 -1.477 1.00 43.33 O ATOM 0 H ASP A 127 10.746 -5.134 0.708 1.00 74.21 H new ATOM 0 HA ASP A 127 10.303 -7.861 1.392 1.00 23.14 H new ATOM 0 HB2 ASP A 127 12.717 -6.225 0.612 1.00 31.01 H new ATOM 0 HB3 ASP A 127 12.817 -7.935 0.982 1.00 31.01 H new ATOM 1922 N ALA A 128 11.685 -5.898 3.571 1.00 55.13 N ATOM 1923 CA ALA A 128 12.121 -5.773 4.946 1.00 24.41 C ATOM 1924 C ALA A 128 11.005 -6.131 5.918 1.00 71.34 C ATOM 1925 O ALA A 128 11.247 -6.782 6.919 1.00 64.44 O ATOM 1926 CB ALA A 128 12.628 -4.368 5.229 1.00 35.41 C ATOM 0 H ALA A 128 11.595 -5.008 3.082 1.00 55.13 H new ATOM 0 HA ALA A 128 12.940 -6.477 5.092 1.00 24.41 H new ATOM 0 HB1 ALA A 128 12.950 -4.300 6.268 1.00 35.41 H new ATOM 0 HB2 ALA A 128 13.470 -4.146 4.573 1.00 35.41 H new ATOM 0 HB3 ALA A 128 11.828 -3.649 5.049 1.00 35.41 H new ATOM 1932 N LEU A 129 9.779 -5.734 5.611 1.00 32.43 N ATOM 1933 CA LEU A 129 8.656 -5.994 6.513 1.00 24.14 C ATOM 1934 C LEU A 129 8.354 -7.488 6.619 1.00 53.41 C ATOM 1935 O LEU A 129 8.056 -7.985 7.701 1.00 23.03 O ATOM 1936 CB LEU A 129 7.423 -5.137 6.147 1.00 23.02 C ATOM 1937 CG LEU A 129 6.794 -5.374 4.778 1.00 64.44 C ATOM 1938 CD1 LEU A 129 5.824 -6.539 4.806 1.00 62.41 C ATOM 1939 CD2 LEU A 129 6.140 -4.115 4.239 1.00 24.21 C ATOM 0 H LEU A 129 9.533 -5.236 4.756 1.00 32.43 H new ATOM 0 HA LEU A 129 8.948 -5.680 7.515 1.00 24.14 H new ATOM 0 HB2 LEU A 129 6.658 -5.305 6.905 1.00 23.02 H new ATOM 0 HB3 LEU A 129 7.710 -4.087 6.210 1.00 23.02 H new ATOM 0 HG LEU A 129 7.599 -5.639 4.092 1.00 64.44 H new ATOM 0 HD11 LEU A 129 5.395 -6.679 3.814 1.00 62.41 H new ATOM 0 HD12 LEU A 129 6.352 -7.445 5.104 1.00 62.41 H new ATOM 0 HD13 LEU A 129 5.027 -6.332 5.520 1.00 62.41 H new ATOM 0 HD21 LEU A 129 5.703 -4.322 3.262 1.00 24.21 H new ATOM 0 HD22 LEU A 129 5.358 -3.789 4.925 1.00 24.21 H new ATOM 0 HD23 LEU A 129 6.889 -3.329 4.142 1.00 24.21 H new ATOM 1951 N HIS A 130 8.507 -8.208 5.504 1.00 73.12 N ATOM 1952 CA HIS A 130 8.329 -9.662 5.489 1.00 65.45 C ATOM 1953 C HIS A 130 9.410 -10.322 6.310 1.00 50.35 C ATOM 1954 O HIS A 130 9.208 -11.377 6.921 1.00 14.51 O ATOM 1955 CB HIS A 130 8.377 -10.212 4.056 1.00 32.13 C ATOM 1956 CG HIS A 130 7.137 -9.987 3.256 1.00 14.43 C ATOM 1957 ND1 HIS A 130 6.993 -9.016 2.289 1.00 72.11 N ATOM 1958 CD2 HIS A 130 5.975 -10.681 3.260 1.00 11.41 C ATOM 1959 CE1 HIS A 130 5.783 -9.150 1.750 1.00 42.20 C ATOM 1960 NE2 HIS A 130 5.124 -10.153 2.305 1.00 50.12 N ATOM 0 H HIS A 130 8.754 -7.807 4.599 1.00 73.12 H new ATOM 0 HA HIS A 130 7.351 -9.884 5.916 1.00 65.45 H new ATOM 0 HB2 HIS A 130 9.217 -9.754 3.534 1.00 32.13 H new ATOM 0 HB3 HIS A 130 8.575 -11.283 4.100 1.00 32.13 H new ATOM 0 HD1 HIS A 130 7.690 -8.318 2.032 1.00 72.11 H new ATOM 0 HD2 HIS A 130 5.748 -11.516 3.907 1.00 11.41 H new ATOM 0 HE1 HIS A 130 5.391 -8.522 0.963 1.00 42.20 H new ATOM 1968 N ALA A 131 10.542 -9.669 6.356 1.00 11.45 N ATOM 1969 CA ALA A 131 11.713 -10.168 7.069 1.00 12.25 C ATOM 1970 C ALA A 131 11.681 -9.780 8.539 1.00 32.14 C ATOM 1971 O ALA A 131 12.595 -10.111 9.295 1.00 44.43 O ATOM 1972 CB ALA A 131 12.969 -9.634 6.425 1.00 41.11 C ATOM 0 H ALA A 131 10.689 -8.769 5.900 1.00 11.45 H new ATOM 0 HA ALA A 131 11.703 -11.256 7.010 1.00 12.25 H new ATOM 0 HB1 ALA A 131 13.841 -10.009 6.961 1.00 41.11 H new ATOM 0 HB2 ALA A 131 13.013 -9.962 5.386 1.00 41.11 H new ATOM 0 HB3 ALA A 131 12.962 -8.545 6.462 1.00 41.11 H new ATOM 1978 N HIS A 132 10.620 -9.078 8.925 1.00 33.00 N ATOM 1979 CA HIS A 132 10.417 -8.550 10.281 1.00 3.32 C ATOM 1980 C HIS A 132 11.501 -7.501 10.594 1.00 11.00 C ATOM 1981 O HIS A 132 11.849 -7.229 11.728 1.00 1.23 O ATOM 1982 CB HIS A 132 10.352 -9.681 11.342 1.00 30.01 C ATOM 1983 CG HIS A 132 9.790 -9.246 12.681 1.00 40.41 C ATOM 1984 ND1 HIS A 132 8.442 -9.130 12.940 1.00 41.44 N ATOM 1985 CD2 HIS A 132 10.419 -8.871 13.827 1.00 30.32 C ATOM 1986 CE1 HIS A 132 8.293 -8.694 14.189 1.00 3.13 C ATOM 1987 NE2 HIS A 132 9.464 -8.518 14.779 1.00 51.42 N ATOM 0 H HIS A 132 9.854 -8.852 8.291 1.00 33.00 H new ATOM 0 HA HIS A 132 9.446 -8.056 10.325 1.00 3.32 H new ATOM 0 HB2 HIS A 132 9.741 -10.495 10.952 1.00 30.01 H new ATOM 0 HB3 HIS A 132 11.355 -10.079 11.494 1.00 30.01 H new ATOM 0 HD2 HIS A 132 11.488 -8.850 13.976 1.00 30.32 H new ATOM 0 HE1 HIS A 132 7.339 -8.508 14.660 1.00 3.13 H new ATOM 0 HE2 HIS A 132 9.633 -8.192 15.731 1.00 51.42 H new ATOM 1995 N GLN A 133 11.959 -6.868 9.551 1.00 30.34 N ATOM 1996 CA GLN A 133 12.879 -5.759 9.626 1.00 62.52 C ATOM 1997 C GLN A 133 12.071 -4.463 9.593 1.00 64.12 C ATOM 1998 O GLN A 133 12.527 -3.410 9.176 1.00 64.22 O ATOM 1999 CB GLN A 133 13.969 -5.837 8.548 1.00 51.21 C ATOM 2000 CG GLN A 133 14.938 -6.993 8.792 1.00 73.12 C ATOM 2001 CD GLN A 133 16.140 -6.994 7.873 1.00 71.23 C ATOM 2002 OE1 GLN A 133 16.130 -7.603 6.810 1.00 55.15 O ATOM 2003 NE2 GLN A 133 17.182 -6.325 8.276 1.00 30.13 N ATOM 0 H GLN A 133 11.697 -7.113 8.596 1.00 30.34 H new ATOM 0 HA GLN A 133 13.431 -5.794 10.565 1.00 62.52 H new ATOM 0 HB2 GLN A 133 13.503 -5.956 7.570 1.00 51.21 H new ATOM 0 HB3 GLN A 133 14.523 -4.899 8.525 1.00 51.21 H new ATOM 0 HG2 GLN A 133 15.284 -6.952 9.825 1.00 73.12 H new ATOM 0 HG3 GLN A 133 14.402 -7.934 8.673 1.00 73.12 H new ATOM 0 HE21 GLN A 133 17.156 -5.829 9.167 1.00 30.13 H new ATOM 0 HE22 GLN A 133 18.024 -6.297 7.701 1.00 30.13 H new ATOM 2012 N ALA A 134 10.829 -4.604 10.028 1.00 54.44 N ATOM 2013 CA ALA A 134 9.832 -3.555 10.096 1.00 1.32 C ATOM 2014 C ALA A 134 10.300 -2.315 10.872 1.00 11.53 C ATOM 2015 O ALA A 134 9.855 -1.226 10.576 1.00 42.23 O ATOM 2016 CB ALA A 134 8.541 -4.099 10.693 1.00 13.43 C ATOM 0 H ALA A 134 10.474 -5.501 10.360 1.00 54.44 H new ATOM 0 HA ALA A 134 9.657 -3.225 9.072 1.00 1.32 H new ATOM 0 HB1 ALA A 134 7.798 -3.303 10.740 1.00 13.43 H new ATOM 0 HB2 ALA A 134 8.165 -4.910 10.069 1.00 13.43 H new ATOM 0 HB3 ALA A 134 8.735 -4.474 11.698 1.00 13.43 H new ATOM 2022 N ARG A 135 11.196 -2.478 11.859 1.00 22.52 N ATOM 2023 CA ARG A 135 11.695 -1.317 12.637 1.00 2.52 C ATOM 2024 C ARG A 135 12.458 -0.379 11.696 1.00 3.53 C ATOM 2025 O ARG A 135 12.356 0.852 11.796 1.00 71.14 O ATOM 2026 CB ARG A 135 12.621 -1.765 13.778 1.00 40.31 C ATOM 2027 CG ARG A 135 12.022 -2.789 14.756 1.00 1.03 C ATOM 2028 CD ARG A 135 11.092 -2.190 15.813 1.00 2.50 C ATOM 2029 NE ARG A 135 9.917 -1.487 15.277 1.00 40.31 N ATOM 2030 CZ ARG A 135 8.643 -1.895 15.427 1.00 71.12 C ATOM 2031 NH1 ARG A 135 8.369 -3.150 15.789 1.00 32.21 N ATOM 2032 NH2 ARG A 135 7.644 -1.050 15.161 1.00 50.13 N ATOM 0 H ARG A 135 11.586 -3.378 12.138 1.00 22.52 H new ATOM 0 HA ARG A 135 10.842 -0.802 13.079 1.00 2.52 H new ATOM 0 HB2 ARG A 135 13.525 -2.191 13.342 1.00 40.31 H new ATOM 0 HB3 ARG A 135 12.924 -0.884 14.343 1.00 40.31 H new ATOM 0 HG2 ARG A 135 11.470 -3.536 14.186 1.00 1.03 H new ATOM 0 HG3 ARG A 135 12.836 -3.310 15.260 1.00 1.03 H new ATOM 0 HD2 ARG A 135 10.750 -2.990 16.470 1.00 2.50 H new ATOM 0 HD3 ARG A 135 11.664 -1.495 16.427 1.00 2.50 H new ATOM 0 HE ARG A 135 10.079 -0.627 14.753 1.00 40.31 H new ATOM 0 HH11 ARG A 135 9.129 -3.810 15.955 1.00 32.21 H new ATOM 0 HH12 ARG A 135 7.400 -3.449 15.900 1.00 32.21 H new ATOM 0 HH21 ARG A 135 7.848 -0.102 14.846 1.00 50.13 H new ATOM 0 HH22 ARG A 135 6.676 -1.353 15.273 1.00 50.13 H new ATOM 2046 N GLU A 136 13.189 -0.986 10.756 1.00 4.51 N ATOM 2047 CA GLU A 136 13.914 -0.262 9.717 1.00 64.54 C ATOM 2048 C GLU A 136 12.916 0.489 8.840 1.00 70.13 C ATOM 2049 O GLU A 136 13.119 1.653 8.491 1.00 2.55 O ATOM 2050 CB GLU A 136 14.736 -1.233 8.833 1.00 11.11 C ATOM 2051 CG GLU A 136 16.015 -1.831 9.447 1.00 51.54 C ATOM 2052 CD GLU A 136 15.836 -2.537 10.775 1.00 42.50 C ATOM 2053 OE1 GLU A 136 15.068 -3.504 10.869 1.00 11.53 O ATOM 2054 OE2 GLU A 136 16.482 -2.123 11.762 1.00 10.40 O ATOM 0 H GLU A 136 13.292 -1.999 10.698 1.00 4.51 H new ATOM 0 HA GLU A 136 14.600 0.436 10.196 1.00 64.54 H new ATOM 0 HB2 GLU A 136 14.085 -2.057 8.540 1.00 11.11 H new ATOM 0 HB3 GLU A 136 15.014 -0.706 7.920 1.00 11.11 H new ATOM 0 HG2 GLU A 136 16.442 -2.537 8.735 1.00 51.54 H new ATOM 0 HG3 GLU A 136 16.743 -1.030 9.577 1.00 51.54 H new ATOM 2061 N VAL A 137 11.826 -0.182 8.513 1.00 61.14 N ATOM 2062 CA VAL A 137 10.774 0.394 7.688 1.00 21.14 C ATOM 2063 C VAL A 137 10.119 1.576 8.409 1.00 1.03 C ATOM 2064 O VAL A 137 9.982 2.652 7.835 1.00 63.22 O ATOM 2065 CB VAL A 137 9.690 -0.660 7.309 1.00 33.24 C ATOM 2066 CG1 VAL A 137 8.597 -0.045 6.435 1.00 13.14 C ATOM 2067 CG2 VAL A 137 10.320 -1.847 6.599 1.00 71.30 C ATOM 0 H VAL A 137 11.643 -1.140 8.810 1.00 61.14 H new ATOM 0 HA VAL A 137 11.239 0.743 6.766 1.00 21.14 H new ATOM 0 HB VAL A 137 9.231 -1.006 8.235 1.00 33.24 H new ATOM 0 HG11 VAL A 137 7.857 -0.806 6.188 1.00 13.14 H new ATOM 0 HG12 VAL A 137 8.114 0.769 6.975 1.00 13.14 H new ATOM 0 HG13 VAL A 137 9.040 0.341 5.517 1.00 13.14 H new ATOM 0 HG21 VAL A 137 9.546 -2.571 6.343 1.00 71.30 H new ATOM 0 HG22 VAL A 137 10.813 -1.506 5.689 1.00 71.30 H new ATOM 0 HG23 VAL A 137 11.053 -2.316 7.255 1.00 71.30 H new ATOM 2077 N VAL A 138 9.766 1.375 9.677 1.00 21.13 N ATOM 2078 CA VAL A 138 9.114 2.407 10.481 1.00 23.23 C ATOM 2079 C VAL A 138 9.979 3.654 10.592 1.00 62.44 C ATOM 2080 O VAL A 138 9.486 4.761 10.417 1.00 62.22 O ATOM 2081 CB VAL A 138 8.725 1.909 11.909 1.00 44.22 C ATOM 2082 CG1 VAL A 138 8.079 3.030 12.728 1.00 73.30 C ATOM 2083 CG2 VAL A 138 7.772 0.727 11.830 1.00 14.13 C ATOM 0 H VAL A 138 9.923 0.498 10.174 1.00 21.13 H new ATOM 0 HA VAL A 138 8.192 2.654 9.954 1.00 23.23 H new ATOM 0 HB VAL A 138 9.643 1.595 12.405 1.00 44.22 H new ATOM 0 HG11 VAL A 138 7.819 2.654 13.717 1.00 73.30 H new ATOM 0 HG12 VAL A 138 8.780 3.858 12.827 1.00 73.30 H new ATOM 0 HG13 VAL A 138 7.177 3.377 12.223 1.00 73.30 H new ATOM 0 HG21 VAL A 138 7.516 0.398 12.837 1.00 14.13 H new ATOM 0 HG22 VAL A 138 6.865 1.025 11.304 1.00 14.13 H new ATOM 0 HG23 VAL A 138 8.251 -0.091 11.292 1.00 14.13 H new ATOM 2093 N ARG A 139 11.270 3.480 10.850 1.00 35.33 N ATOM 2094 CA ARG A 139 12.145 4.635 10.991 1.00 1.15 C ATOM 2095 C ARG A 139 12.236 5.431 9.681 1.00 31.42 C ATOM 2096 O ARG A 139 12.245 6.659 9.692 1.00 21.54 O ATOM 2097 CB ARG A 139 13.523 4.266 11.543 1.00 12.42 C ATOM 2098 CG ARG A 139 14.448 3.535 10.601 1.00 33.14 C ATOM 2099 CD ARG A 139 15.763 3.216 11.276 1.00 74.14 C ATOM 2100 NE ARG A 139 15.578 2.340 12.432 1.00 42.40 N ATOM 2101 CZ ARG A 139 16.021 1.085 12.514 1.00 53.14 C ATOM 2102 NH1 ARG A 139 16.748 0.565 11.535 1.00 72.30 N ATOM 2103 NH2 ARG A 139 15.751 0.361 13.587 1.00 34.23 N ATOM 0 H ARG A 139 11.725 2.574 10.963 1.00 35.33 H new ATOM 0 HA ARG A 139 11.691 5.288 11.736 1.00 1.15 H new ATOM 0 HB2 ARG A 139 14.018 5.182 11.866 1.00 12.42 H new ATOM 0 HB3 ARG A 139 13.382 3.649 12.431 1.00 12.42 H new ATOM 0 HG2 ARG A 139 13.975 2.613 10.263 1.00 33.14 H new ATOM 0 HG3 ARG A 139 14.628 4.144 9.715 1.00 33.14 H new ATOM 0 HD2 ARG A 139 16.433 2.739 10.561 1.00 74.14 H new ATOM 0 HD3 ARG A 139 16.243 4.142 11.594 1.00 74.14 H new ATOM 0 HE ARG A 139 15.073 2.716 13.234 1.00 42.40 H new ATOM 0 HH11 ARG A 139 16.972 1.126 10.713 1.00 72.30 H new ATOM 0 HH12 ARG A 139 17.084 -0.396 11.604 1.00 72.30 H new ATOM 0 HH21 ARG A 139 15.205 0.763 14.349 1.00 34.23 H new ATOM 0 HH22 ARG A 139 16.089 -0.599 13.652 1.00 34.23 H new ATOM 2117 N ARG A 140 12.268 4.721 8.554 1.00 53.15 N ATOM 2118 CA ARG A 140 12.297 5.371 7.249 1.00 4.45 C ATOM 2119 C ARG A 140 10.957 6.056 6.981 1.00 32.54 C ATOM 2120 O ARG A 140 10.907 7.141 6.406 1.00 23.03 O ATOM 2121 CB ARG A 140 12.625 4.369 6.135 1.00 52.34 C ATOM 2122 CG ARG A 140 14.004 3.719 6.249 1.00 62.42 C ATOM 2123 CD ARG A 140 15.144 4.733 6.116 1.00 41.33 C ATOM 2124 NE ARG A 140 15.109 5.430 4.821 1.00 43.14 N ATOM 2125 CZ ARG A 140 15.844 5.104 3.743 1.00 62.40 C ATOM 2126 NH1 ARG A 140 16.719 4.087 3.791 1.00 14.13 N ATOM 2127 NH2 ARG A 140 15.707 5.801 2.620 1.00 72.11 N ATOM 0 H ARG A 140 12.274 3.702 8.520 1.00 53.15 H new ATOM 0 HA ARG A 140 13.086 6.123 7.257 1.00 4.45 H new ATOM 0 HB2 ARG A 140 11.867 3.585 6.135 1.00 52.34 H new ATOM 0 HB3 ARG A 140 12.557 4.879 5.174 1.00 52.34 H new ATOM 0 HG2 ARG A 140 14.084 3.211 7.210 1.00 62.42 H new ATOM 0 HG3 ARG A 140 14.108 2.957 5.476 1.00 62.42 H new ATOM 0 HD2 ARG A 140 15.077 5.463 6.923 1.00 41.33 H new ATOM 0 HD3 ARG A 140 16.100 4.221 6.227 1.00 41.33 H new ATOM 0 HE ARG A 140 14.476 6.225 4.734 1.00 43.14 H new ATOM 0 HH11 ARG A 140 16.832 3.552 4.652 1.00 14.13 H new ATOM 0 HH12 ARG A 140 17.271 3.850 2.967 1.00 14.13 H new ATOM 0 HH21 ARG A 140 15.047 6.578 2.579 1.00 72.11 H new ATOM 0 HH22 ARG A 140 16.261 5.559 1.799 1.00 72.11 H new ATOM 2141 N ALA A 141 9.884 5.418 7.431 1.00 71.22 N ATOM 2142 CA ALA A 141 8.533 5.954 7.321 1.00 31.21 C ATOM 2143 C ALA A 141 8.426 7.259 8.109 1.00 73.10 C ATOM 2144 O ALA A 141 7.861 8.241 7.630 1.00 62.43 O ATOM 2145 CB ALA A 141 7.532 4.939 7.853 1.00 0.44 C ATOM 0 H ALA A 141 9.927 4.506 7.886 1.00 71.22 H new ATOM 0 HA ALA A 141 8.311 6.155 6.273 1.00 31.21 H new ATOM 0 HB1 ALA A 141 6.524 5.344 7.769 1.00 0.44 H new ATOM 0 HB2 ALA A 141 7.603 4.019 7.273 1.00 0.44 H new ATOM 0 HB3 ALA A 141 7.751 4.726 8.899 1.00 0.44 H new ATOM 2151 N GLN A 142 8.991 7.259 9.317 1.00 52.23 N ATOM 2152 CA GLN A 142 9.035 8.444 10.173 1.00 52.23 C ATOM 2153 C GLN A 142 9.773 9.578 9.493 1.00 12.13 C ATOM 2154 O GLN A 142 9.328 10.710 9.522 1.00 43.04 O ATOM 2155 CB GLN A 142 9.711 8.143 11.505 1.00 14.51 C ATOM 2156 CG GLN A 142 8.956 7.192 12.407 1.00 24.53 C ATOM 2157 CD GLN A 142 9.732 6.879 13.668 1.00 45.43 C ATOM 2158 OE1 GLN A 142 10.962 6.868 13.672 1.00 3.32 O ATOM 2159 NE2 GLN A 142 9.043 6.643 14.742 1.00 52.45 N ATOM 0 H GLN A 142 9.431 6.436 9.729 1.00 52.23 H new ATOM 0 HA GLN A 142 8.002 8.741 10.357 1.00 52.23 H new ATOM 0 HB2 GLN A 142 10.698 7.725 11.308 1.00 14.51 H new ATOM 0 HB3 GLN A 142 9.863 9.082 12.038 1.00 14.51 H new ATOM 0 HG2 GLN A 142 7.993 7.629 12.672 1.00 24.53 H new ATOM 0 HG3 GLN A 142 8.749 6.267 11.868 1.00 24.53 H new ATOM 0 HE21 GLN A 142 8.024 6.659 14.708 1.00 52.45 H new ATOM 0 HE22 GLN A 142 9.521 6.441 15.620 1.00 52.45 H new ATOM 2168 N ALA A 143 10.883 9.256 8.859 1.00 23.45 N ATOM 2169 CA ALA A 143 11.690 10.245 8.156 1.00 40.40 C ATOM 2170 C ALA A 143 10.959 10.795 6.928 1.00 43.43 C ATOM 2171 O ALA A 143 11.218 11.910 6.478 1.00 52.12 O ATOM 2172 CB ALA A 143 13.022 9.636 7.755 1.00 44.31 C ATOM 0 H ALA A 143 11.253 8.307 8.814 1.00 23.45 H new ATOM 0 HA ALA A 143 11.869 11.081 8.833 1.00 40.40 H new ATOM 0 HB1 ALA A 143 13.620 10.381 7.230 1.00 44.31 H new ATOM 0 HB2 ALA A 143 13.555 9.307 8.647 1.00 44.31 H new ATOM 0 HB3 ALA A 143 12.849 8.782 7.100 1.00 44.31 H new ATOM 2178 N MET A 144 10.059 10.005 6.390 1.00 52.41 N ATOM 2179 CA MET A 144 9.288 10.392 5.224 1.00 52.13 C ATOM 2180 C MET A 144 8.104 11.267 5.662 1.00 22.35 C ATOM 2181 O MET A 144 7.782 12.281 5.030 1.00 22.31 O ATOM 2182 CB MET A 144 8.817 9.110 4.487 1.00 13.21 C ATOM 2183 CG MET A 144 8.219 9.300 3.086 1.00 23.00 C ATOM 2184 SD MET A 144 6.593 10.082 3.045 1.00 3.42 S ATOM 2185 CE MET A 144 6.330 10.193 1.270 1.00 61.11 C ATOM 0 H MET A 144 9.838 9.075 6.746 1.00 52.41 H new ATOM 0 HA MET A 144 9.896 10.979 4.536 1.00 52.13 H new ATOM 0 HB2 MET A 144 9.667 8.433 4.405 1.00 13.21 H new ATOM 0 HB3 MET A 144 8.073 8.613 5.110 1.00 13.21 H new ATOM 0 HG2 MET A 144 8.908 9.900 2.492 1.00 23.00 H new ATOM 0 HG3 MET A 144 8.148 8.325 2.603 1.00 23.00 H new ATOM 0 HE1 MET A 144 6.083 11.220 1.002 1.00 61.11 H new ATOM 0 HE2 MET A 144 7.238 9.890 0.748 1.00 61.11 H new ATOM 0 HE3 MET A 144 5.510 9.536 0.982 1.00 61.11 H new ATOM 2195 N ALA A 145 7.494 10.906 6.770 1.00 75.42 N ATOM 2196 CA ALA A 145 6.329 11.618 7.259 1.00 41.24 C ATOM 2197 C ALA A 145 6.690 12.883 8.026 1.00 65.20 C ATOM 2198 O ALA A 145 6.036 13.915 7.879 1.00 11.13 O ATOM 2199 CB ALA A 145 5.458 10.712 8.104 1.00 50.24 C ATOM 0 H ALA A 145 7.785 10.121 7.352 1.00 75.42 H new ATOM 0 HA ALA A 145 5.765 11.931 6.381 1.00 41.24 H new ATOM 0 HB1 ALA A 145 4.591 11.269 8.459 1.00 50.24 H new ATOM 0 HB2 ALA A 145 5.125 9.865 7.504 1.00 50.24 H new ATOM 0 HB3 ALA A 145 6.031 10.349 8.958 1.00 50.24 H new ATOM 2205 N TYR A 146 7.710 12.810 8.830 1.00 24.31 N ATOM 2206 CA TYR A 146 8.110 13.926 9.634 1.00 34.25 C ATOM 2207 C TYR A 146 9.436 14.459 9.133 1.00 55.31 C ATOM 2208 O TYR A 146 10.495 14.056 9.654 1.00 37.05 O ATOM 2209 CB TYR A 146 8.214 13.526 11.115 1.00 74.24 C ATOM 2210 CG TYR A 146 6.922 13.011 11.731 1.00 32.31 C ATOM 2211 CD1 TYR A 146 5.998 13.885 12.291 1.00 24.34 C ATOM 2212 CD2 TYR A 146 6.636 11.653 11.761 1.00 35.30 C ATOM 2213 CE1 TYR A 146 4.828 13.419 12.860 1.00 50.11 C ATOM 2214 CE2 TYR A 146 5.468 11.184 12.325 1.00 14.12 C ATOM 2215 CZ TYR A 146 4.569 12.069 12.873 1.00 33.24 C ATOM 2216 OH TYR A 146 3.405 11.597 13.448 1.00 42.21 O ATOM 2217 OXT TYR A 146 9.432 15.278 8.188 1.00 37.05 O ATOM 0 H TYR A 146 8.287 11.977 8.946 1.00 24.31 H new ATOM 0 HA TYR A 146 7.355 14.708 9.553 1.00 34.25 H new ATOM 0 HB2 TYR A 146 8.979 12.757 11.216 1.00 74.24 H new ATOM 0 HB3 TYR A 146 8.553 14.390 11.687 1.00 74.24 H new ATOM 0 HD1 TYR A 146 6.198 14.946 12.281 1.00 24.34 H new ATOM 0 HD2 TYR A 146 7.339 10.952 11.336 1.00 35.30 H new ATOM 0 HE1 TYR A 146 4.121 14.112 13.292 1.00 50.11 H new ATOM 0 HE2 TYR A 146 5.260 10.124 12.336 1.00 14.12 H new ATOM 0 HH TYR A 146 2.657 12.179 13.199 1.00 42.21 H new