USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=20 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 K(o=-0.49,f=-1.3) USER MOD Set 1.2: A 130 HIS :FLIP no HD1:sc= -0.489 F(o=-1.3,f=-0.49) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -1.56 K(o=-1.6,f=-5.4!) USER MOD Single : A 49 GLN : amide:sc= -0.608 X(o=-0.61,f=-0.55) USER MOD Single : A 54 HIS : no HE2:sc= -0.0809 X(o=-0.081,f=-0.075) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.175 F(o=-2!,f=-0.18) USER MOD Single : A 72 THR OG1 : rot -84:sc= 1.31 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 71:sc= 1.23 USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 TYR OH : rot 73:sc= 0.959 USER MOD Single : A 96 THR OG1 : rot 160:sc= 0.717 USER MOD Single : A 99 MET CE :methyl 160:sc= -1.1 (180deg=-1.56) USER MOD Single : A 104 THR OG1 : rot 101:sc= 1.27 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 ASN :FLIP amide:sc= -0.303 F(o=-1!,f=-0.3) USER MOD Single : A 132 HIS : no HD1:sc= -0.189 X(o=-0.19,f=-0.25) USER MOD Single : A 133 GLN : amide:sc= -1.11 K(o=-1.1,f=-2.7!) USER MOD Single : A 142 GLN : amide:sc= -0.134 K(o=-0.13,f=-2) USER MOD Single : A 144 MET CE :methyl -166:sc= 0 (180deg=-0.126) USER MOD Single : A 146 TYR OH : rot -159:sc= 0.926 USER MOD ----------------------------------------------------------------- ATOM 239 N ALA A 18 -7.788 5.375 -3.633 1.00 73.12 N ATOM 240 CA ALA A 18 -6.749 4.899 -4.518 1.00 34.30 C ATOM 241 C ALA A 18 -6.387 5.983 -5.523 1.00 62.30 C ATOM 242 O ALA A 18 -7.280 6.654 -6.063 1.00 2.41 O ATOM 243 CB ALA A 18 -7.216 3.649 -5.225 1.00 61.41 C ATOM 0 HA ALA A 18 -5.859 4.658 -3.937 1.00 34.30 H new ATOM 0 HB1 ALA A 18 -6.430 3.293 -5.891 1.00 61.41 H new ATOM 0 HB2 ALA A 18 -7.444 2.878 -4.489 1.00 61.41 H new ATOM 0 HB3 ALA A 18 -8.111 3.872 -5.806 1.00 61.41 H new ATOM 249 N GLY A 19 -5.104 6.189 -5.739 1.00 33.43 N ATOM 250 CA GLY A 19 -4.670 7.217 -6.653 1.00 5.04 C ATOM 251 C GLY A 19 -3.876 6.696 -7.835 1.00 75.14 C ATOM 252 O GLY A 19 -4.403 6.579 -8.952 1.00 13.01 O ATOM 0 H GLY A 19 -4.351 5.661 -5.297 1.00 33.43 H new ATOM 0 HA2 GLY A 19 -5.544 7.752 -7.023 1.00 5.04 H new ATOM 0 HA3 GLY A 19 -4.061 7.939 -6.109 1.00 5.04 H new ATOM 256 N ASP A 20 -2.621 6.403 -7.622 1.00 53.34 N ATOM 257 CA ASP A 20 -1.750 5.947 -8.699 1.00 44.23 C ATOM 258 C ASP A 20 -0.911 4.771 -8.245 1.00 14.42 C ATOM 259 O ASP A 20 -0.320 4.807 -7.174 1.00 41.04 O ATOM 260 CB ASP A 20 -0.860 7.111 -9.182 1.00 3.11 C ATOM 261 CG ASP A 20 0.111 6.731 -10.283 1.00 24.31 C ATOM 262 OD1 ASP A 20 -0.325 6.251 -11.341 1.00 45.40 O ATOM 263 OD2 ASP A 20 1.325 6.953 -10.132 1.00 31.54 O ATOM 0 H ASP A 20 -2.167 6.469 -6.711 1.00 53.34 H new ATOM 0 HA ASP A 20 -2.365 5.612 -9.535 1.00 44.23 H new ATOM 0 HB2 ASP A 20 -1.499 7.919 -9.538 1.00 3.11 H new ATOM 0 HB3 ASP A 20 -0.297 7.500 -8.334 1.00 3.11 H new ATOM 268 N ASP A 21 -0.909 3.719 -9.037 1.00 25.42 N ATOM 269 CA ASP A 21 -0.145 2.499 -8.723 1.00 0.52 C ATOM 270 C ASP A 21 1.349 2.732 -8.824 1.00 44.03 C ATOM 271 O ASP A 21 1.825 3.411 -9.741 1.00 51.34 O ATOM 272 CB ASP A 21 -0.575 1.336 -9.619 1.00 65.42 C ATOM 273 CG ASP A 21 0.275 0.084 -9.449 1.00 13.33 C ATOM 274 OD1 ASP A 21 0.712 -0.206 -8.321 1.00 10.35 O ATOM 275 OD2 ASP A 21 0.482 -0.643 -10.459 1.00 2.42 O ATOM 0 H ASP A 21 -1.428 3.671 -9.914 1.00 25.42 H new ATOM 0 HA ASP A 21 -0.367 2.234 -7.689 1.00 0.52 H new ATOM 0 HB2 ASP A 21 -1.615 1.090 -9.405 1.00 65.42 H new ATOM 0 HB3 ASP A 21 -0.531 1.656 -10.660 1.00 65.42 H new ATOM 280 N VAL A 22 2.074 2.168 -7.894 1.00 11.32 N ATOM 281 CA VAL A 22 3.499 2.352 -7.795 1.00 20.13 C ATOM 282 C VAL A 22 4.250 1.088 -8.244 1.00 43.42 C ATOM 283 O VAL A 22 5.441 1.143 -8.595 1.00 10.20 O ATOM 284 CB VAL A 22 3.908 2.741 -6.343 1.00 35.32 C ATOM 285 CG1 VAL A 22 5.407 2.985 -6.221 1.00 34.51 C ATOM 286 CG2 VAL A 22 3.142 3.974 -5.898 1.00 1.51 C ATOM 0 H VAL A 22 1.686 1.559 -7.173 1.00 11.32 H new ATOM 0 HA VAL A 22 3.777 3.169 -8.461 1.00 20.13 H new ATOM 0 HB VAL A 22 3.656 1.902 -5.694 1.00 35.32 H new ATOM 0 HG11 VAL A 22 5.649 3.254 -5.193 1.00 34.51 H new ATOM 0 HG12 VAL A 22 5.947 2.079 -6.496 1.00 34.51 H new ATOM 0 HG13 VAL A 22 5.699 3.797 -6.887 1.00 34.51 H new ATOM 0 HG21 VAL A 22 3.435 4.237 -4.882 1.00 1.51 H new ATOM 0 HG22 VAL A 22 3.368 4.804 -6.568 1.00 1.51 H new ATOM 0 HG23 VAL A 22 2.072 3.767 -5.925 1.00 1.51 H new ATOM 296 N LEU A 23 3.582 -0.044 -8.282 1.00 23.11 N ATOM 297 CA LEU A 23 4.276 -1.233 -8.693 1.00 13.52 C ATOM 298 C LEU A 23 4.204 -1.450 -10.197 1.00 64.34 C ATOM 299 O LEU A 23 3.649 -0.622 -10.937 1.00 14.42 O ATOM 300 CB LEU A 23 3.958 -2.507 -7.834 1.00 31.22 C ATOM 301 CG LEU A 23 2.495 -2.920 -7.562 1.00 60.42 C ATOM 302 CD1 LEU A 23 1.743 -3.216 -8.832 1.00 45.32 C ATOM 303 CD2 LEU A 23 2.469 -4.151 -6.685 1.00 51.31 C ATOM 0 H LEU A 23 2.597 -0.162 -8.043 1.00 23.11 H new ATOM 0 HA LEU A 23 5.327 -1.051 -8.470 1.00 13.52 H new ATOM 0 HB2 LEU A 23 4.447 -3.352 -8.318 1.00 31.22 H new ATOM 0 HB3 LEU A 23 4.440 -2.372 -6.866 1.00 31.22 H new ATOM 0 HG LEU A 23 2.009 -2.080 -7.065 1.00 60.42 H new ATOM 0 HD11 LEU A 23 0.719 -3.502 -8.590 1.00 45.32 H new ATOM 0 HD12 LEU A 23 1.732 -2.328 -9.464 1.00 45.32 H new ATOM 0 HD13 LEU A 23 2.232 -4.033 -9.363 1.00 45.32 H new ATOM 0 HD21 LEU A 23 1.435 -4.440 -6.495 1.00 51.31 H new ATOM 0 HD22 LEU A 23 2.987 -4.967 -7.188 1.00 51.31 H new ATOM 0 HD23 LEU A 23 2.965 -3.934 -5.739 1.00 51.31 H new ATOM 315 N ASP A 24 4.818 -2.498 -10.652 1.00 51.22 N ATOM 316 CA ASP A 24 4.858 -2.805 -12.068 1.00 71.52 C ATOM 317 C ASP A 24 3.788 -3.828 -12.383 1.00 13.43 C ATOM 318 O ASP A 24 3.407 -4.593 -11.505 1.00 22.44 O ATOM 319 CB ASP A 24 6.221 -3.377 -12.489 1.00 62.44 C ATOM 320 CG ASP A 24 7.400 -2.493 -12.193 1.00 22.03 C ATOM 321 OD1 ASP A 24 7.511 -1.392 -12.757 1.00 35.13 O ATOM 322 OD2 ASP A 24 8.256 -2.893 -11.377 1.00 52.11 O ATOM 0 H ASP A 24 5.308 -3.170 -10.062 1.00 51.22 H new ATOM 0 HA ASP A 24 4.689 -1.878 -12.616 1.00 71.52 H new ATOM 0 HB2 ASP A 24 6.368 -4.333 -11.987 1.00 62.44 H new ATOM 0 HB3 ASP A 24 6.198 -3.580 -13.560 1.00 62.44 H new ATOM 327 N PRO A 25 3.254 -3.853 -13.621 1.00 63.02 N ATOM 328 CA PRO A 25 2.263 -4.864 -14.051 1.00 12.24 C ATOM 329 C PRO A 25 2.751 -6.315 -13.844 1.00 43.25 C ATOM 330 O PRO A 25 1.953 -7.242 -13.754 1.00 42.35 O ATOM 331 CB PRO A 25 2.091 -4.581 -15.545 1.00 4.40 C ATOM 332 CG PRO A 25 2.448 -3.150 -15.700 1.00 22.20 C ATOM 333 CD PRO A 25 3.530 -2.875 -14.698 1.00 65.41 C ATOM 0 HA PRO A 25 1.344 -4.789 -13.470 1.00 12.24 H new ATOM 0 HB2 PRO A 25 2.739 -5.218 -16.146 1.00 4.40 H new ATOM 0 HB3 PRO A 25 1.068 -4.771 -15.869 1.00 4.40 H new ATOM 0 HG2 PRO A 25 2.794 -2.943 -16.713 1.00 22.20 H new ATOM 0 HG3 PRO A 25 1.582 -2.512 -15.522 1.00 22.20 H new ATOM 0 HD2 PRO A 25 4.522 -3.019 -15.127 1.00 65.41 H new ATOM 0 HD3 PRO A 25 3.487 -1.850 -14.331 1.00 65.41 H new ATOM 341 N ASP A 26 4.059 -6.500 -13.781 1.00 4.34 N ATOM 342 CA ASP A 26 4.645 -7.825 -13.546 1.00 11.24 C ATOM 343 C ASP A 26 4.515 -8.246 -12.081 1.00 44.43 C ATOM 344 O ASP A 26 4.470 -9.439 -11.772 1.00 64.30 O ATOM 345 CB ASP A 26 6.107 -7.846 -13.972 1.00 12.14 C ATOM 346 CG ASP A 26 6.771 -9.201 -13.829 1.00 23.41 C ATOM 347 OD1 ASP A 26 6.535 -10.088 -14.683 1.00 62.35 O ATOM 348 OD2 ASP A 26 7.591 -9.386 -12.902 1.00 50.32 O ATOM 0 H ASP A 26 4.744 -5.752 -13.889 1.00 4.34 H new ATOM 0 HA ASP A 26 4.089 -8.542 -14.151 1.00 11.24 H new ATOM 0 HB2 ASP A 26 6.176 -7.527 -15.012 1.00 12.14 H new ATOM 0 HB3 ASP A 26 6.659 -7.118 -13.377 1.00 12.14 H new ATOM 353 N GLU A 27 4.409 -7.269 -11.192 1.00 43.21 N ATOM 354 CA GLU A 27 4.306 -7.543 -9.770 1.00 1.41 C ATOM 355 C GLU A 27 2.924 -8.120 -9.447 1.00 53.34 C ATOM 356 O GLU A 27 1.912 -7.654 -9.988 1.00 54.32 O ATOM 357 CB GLU A 27 4.548 -6.275 -8.943 1.00 42.25 C ATOM 358 CG GLU A 27 5.918 -5.639 -9.131 1.00 42.11 C ATOM 359 CD GLU A 27 7.058 -6.547 -8.743 1.00 75.53 C ATOM 360 OE1 GLU A 27 7.402 -6.621 -7.547 1.00 44.30 O ATOM 361 OE2 GLU A 27 7.651 -7.182 -9.632 1.00 11.23 O ATOM 0 H GLU A 27 4.392 -6.278 -11.433 1.00 43.21 H new ATOM 0 HA GLU A 27 5.073 -8.272 -9.509 1.00 1.41 H new ATOM 0 HB2 GLU A 27 3.784 -5.541 -9.199 1.00 42.25 H new ATOM 0 HB3 GLU A 27 4.417 -6.516 -7.888 1.00 42.25 H new ATOM 0 HG2 GLU A 27 6.035 -5.347 -10.175 1.00 42.11 H new ATOM 0 HG3 GLU A 27 5.972 -4.727 -8.537 1.00 42.11 H new ATOM 368 N PRO A 28 2.862 -9.158 -8.596 1.00 41.44 N ATOM 369 CA PRO A 28 1.601 -9.801 -8.206 1.00 13.31 C ATOM 370 C PRO A 28 0.653 -8.847 -7.450 1.00 25.23 C ATOM 371 O PRO A 28 1.073 -8.097 -6.534 1.00 20.35 O ATOM 372 CB PRO A 28 2.046 -10.949 -7.287 1.00 52.43 C ATOM 373 CG PRO A 28 3.483 -11.153 -7.587 1.00 53.23 C ATOM 374 CD PRO A 28 4.018 -9.811 -7.956 1.00 24.13 C ATOM 0 HA PRO A 28 1.035 -10.129 -9.078 1.00 13.31 H new ATOM 0 HB2 PRO A 28 1.895 -10.694 -6.238 1.00 52.43 H new ATOM 0 HB3 PRO A 28 1.471 -11.854 -7.481 1.00 52.43 H new ATOM 0 HG2 PRO A 28 4.009 -11.559 -6.723 1.00 53.23 H new ATOM 0 HG3 PRO A 28 3.615 -11.864 -8.403 1.00 53.23 H new ATOM 0 HD2 PRO A 28 4.360 -9.258 -7.081 1.00 24.13 H new ATOM 0 HD3 PRO A 28 4.866 -9.888 -8.636 1.00 24.13 H new ATOM 382 N THR A 29 -0.611 -8.894 -7.797 1.00 22.32 N ATOM 383 CA THR A 29 -1.603 -8.024 -7.219 1.00 53.12 C ATOM 384 C THR A 29 -2.828 -8.812 -6.744 1.00 74.03 C ATOM 385 O THR A 29 -2.952 -10.021 -6.992 1.00 13.12 O ATOM 386 CB THR A 29 -2.044 -6.932 -8.234 1.00 73.30 C ATOM 387 OG1 THR A 29 -2.357 -7.536 -9.503 1.00 70.00 O ATOM 388 CG2 THR A 29 -0.970 -5.868 -8.416 1.00 11.33 C ATOM 0 H THR A 29 -0.981 -9.542 -8.493 1.00 22.32 H new ATOM 0 HA THR A 29 -1.145 -7.541 -6.356 1.00 53.12 H new ATOM 0 HB THR A 29 -2.933 -6.445 -7.833 1.00 73.30 H new ATOM 0 HG1 THR A 29 -2.635 -6.842 -10.136 1.00 70.00 H new ATOM 0 HG21 THR A 29 -1.314 -5.122 -9.132 1.00 11.33 H new ATOM 0 HG22 THR A 29 -0.769 -5.386 -7.459 1.00 11.33 H new ATOM 0 HG23 THR A 29 -0.057 -6.333 -8.787 1.00 11.33 H new ATOM 396 N TYR A 30 -3.677 -8.138 -6.027 1.00 44.25 N ATOM 397 CA TYR A 30 -4.932 -8.636 -5.570 1.00 2.10 C ATOM 398 C TYR A 30 -5.979 -7.632 -5.911 1.00 33.25 C ATOM 399 O TYR A 30 -5.675 -6.460 -6.091 1.00 41.44 O ATOM 400 CB TYR A 30 -4.964 -8.904 -4.066 1.00 53.12 C ATOM 401 CG TYR A 30 -4.262 -10.156 -3.629 1.00 2.34 C ATOM 402 CD1 TYR A 30 -4.555 -11.374 -4.219 1.00 23.14 C ATOM 403 CD2 TYR A 30 -3.346 -10.134 -2.608 1.00 22.20 C ATOM 404 CE1 TYR A 30 -3.947 -12.532 -3.806 1.00 24.12 C ATOM 405 CE2 TYR A 30 -2.725 -11.284 -2.186 1.00 22.33 C ATOM 406 CZ TYR A 30 -3.032 -12.482 -2.788 1.00 44.03 C ATOM 407 OH TYR A 30 -2.414 -13.634 -2.367 1.00 10.20 O ATOM 0 H TYR A 30 -3.500 -7.178 -5.732 1.00 44.25 H new ATOM 0 HA TYR A 30 -5.109 -9.593 -6.061 1.00 2.10 H new ATOM 0 HB2 TYR A 30 -4.514 -8.055 -3.551 1.00 53.12 H new ATOM 0 HB3 TYR A 30 -6.004 -8.957 -3.744 1.00 53.12 H new ATOM 0 HD1 TYR A 30 -5.277 -11.413 -5.021 1.00 23.14 H new ATOM 0 HD2 TYR A 30 -3.109 -9.196 -2.128 1.00 22.20 H new ATOM 0 HE1 TYR A 30 -4.187 -13.473 -4.278 1.00 24.12 H new ATOM 0 HE2 TYR A 30 -2.000 -11.248 -1.386 1.00 22.33 H new ATOM 0 HH TYR A 30 -1.793 -13.425 -1.638 1.00 10.20 H new ATOM 417 N ASP A 31 -7.179 -8.060 -5.938 1.00 34.11 N ATOM 418 CA ASP A 31 -8.302 -7.237 -6.288 1.00 43.10 C ATOM 419 C ASP A 31 -9.318 -7.562 -5.228 1.00 5.33 C ATOM 420 O ASP A 31 -9.157 -8.583 -4.551 1.00 72.14 O ATOM 421 CB ASP A 31 -8.829 -7.673 -7.668 1.00 10.42 C ATOM 422 CG ASP A 31 -9.753 -6.680 -8.342 1.00 31.03 C ATOM 423 OD1 ASP A 31 -10.733 -6.227 -7.729 1.00 35.52 O ATOM 424 OD2 ASP A 31 -9.504 -6.337 -9.517 1.00 61.53 O ATOM 0 H ASP A 31 -7.432 -9.022 -5.712 1.00 34.11 H new ATOM 0 HA ASP A 31 -8.068 -6.174 -6.340 1.00 43.10 H new ATOM 0 HB2 ASP A 31 -7.978 -7.858 -8.324 1.00 10.42 H new ATOM 0 HB3 ASP A 31 -9.357 -8.620 -7.556 1.00 10.42 H new ATOM 429 N LEU A 32 -10.333 -6.749 -5.076 1.00 2.52 N ATOM 430 CA LEU A 32 -11.278 -6.861 -3.955 1.00 23.53 C ATOM 431 C LEU A 32 -11.853 -8.286 -3.727 1.00 11.03 C ATOM 432 O LEU A 32 -11.757 -8.802 -2.606 1.00 41.33 O ATOM 433 CB LEU A 32 -12.377 -5.789 -4.018 1.00 75.25 C ATOM 434 CG LEU A 32 -11.908 -4.332 -3.890 1.00 32.43 C ATOM 435 CD1 LEU A 32 -13.094 -3.395 -3.937 1.00 73.21 C ATOM 436 CD2 LEU A 32 -11.126 -4.120 -2.599 1.00 53.44 C ATOM 0 H LEU A 32 -10.542 -5.984 -5.718 1.00 2.52 H new ATOM 0 HA LEU A 32 -10.678 -6.667 -3.066 1.00 23.53 H new ATOM 0 HB2 LEU A 32 -12.908 -5.897 -4.964 1.00 75.25 H new ATOM 0 HB3 LEU A 32 -13.097 -5.989 -3.224 1.00 75.25 H new ATOM 0 HG LEU A 32 -11.247 -4.114 -4.729 1.00 32.43 H new ATOM 0 HD11 LEU A 32 -12.748 -2.365 -3.845 1.00 73.21 H new ATOM 0 HD12 LEU A 32 -13.618 -3.519 -4.885 1.00 73.21 H new ATOM 0 HD13 LEU A 32 -13.772 -3.625 -3.115 1.00 73.21 H new ATOM 0 HD21 LEU A 32 -10.806 -3.080 -2.534 1.00 53.44 H new ATOM 0 HD22 LEU A 32 -11.761 -4.358 -1.746 1.00 53.44 H new ATOM 0 HD23 LEU A 32 -10.251 -4.770 -2.593 1.00 53.44 H new ATOM 448 N PRO A 33 -12.428 -8.969 -4.764 1.00 71.14 N ATOM 449 CA PRO A 33 -12.922 -10.341 -4.601 1.00 62.51 C ATOM 450 C PRO A 33 -11.799 -11.306 -4.203 1.00 41.33 C ATOM 451 O PRO A 33 -11.994 -12.183 -3.369 1.00 10.34 O ATOM 452 CB PRO A 33 -13.478 -10.707 -5.985 1.00 63.42 C ATOM 453 CG PRO A 33 -12.868 -9.723 -6.919 1.00 34.21 C ATOM 454 CD PRO A 33 -12.686 -8.466 -6.134 1.00 52.12 C ATOM 0 HA PRO A 33 -13.667 -10.412 -3.808 1.00 62.51 H new ATOM 0 HB2 PRO A 33 -13.213 -11.728 -6.259 1.00 63.42 H new ATOM 0 HB3 PRO A 33 -14.566 -10.645 -6.002 1.00 63.42 H new ATOM 0 HG2 PRO A 33 -11.914 -10.087 -7.300 1.00 34.21 H new ATOM 0 HG3 PRO A 33 -13.512 -9.554 -7.782 1.00 34.21 H new ATOM 0 HD2 PRO A 33 -11.854 -7.871 -6.510 1.00 52.12 H new ATOM 0 HD3 PRO A 33 -13.573 -7.833 -6.172 1.00 52.12 H new ATOM 462 N ARG A 34 -10.623 -11.114 -4.777 1.00 24.44 N ATOM 463 CA ARG A 34 -9.490 -11.954 -4.504 1.00 53.42 C ATOM 464 C ARG A 34 -8.960 -11.731 -3.079 1.00 62.42 C ATOM 465 O ARG A 34 -8.446 -12.658 -2.454 1.00 40.02 O ATOM 466 CB ARG A 34 -8.397 -11.719 -5.524 1.00 73.23 C ATOM 467 CG ARG A 34 -7.370 -12.825 -5.577 1.00 23.23 C ATOM 468 CD ARG A 34 -8.024 -14.114 -6.016 1.00 70.21 C ATOM 469 NE ARG A 34 -7.071 -15.212 -6.149 1.00 44.31 N ATOM 470 CZ ARG A 34 -7.096 -16.140 -7.117 1.00 51.41 C ATOM 471 NH1 ARG A 34 -7.974 -16.050 -8.118 1.00 55.22 N ATOM 472 NH2 ARG A 34 -6.233 -17.152 -7.079 1.00 42.21 N ATOM 0 H ARG A 34 -10.436 -10.367 -5.446 1.00 24.44 H new ATOM 0 HA ARG A 34 -9.816 -12.991 -4.578 1.00 53.42 H new ATOM 0 HB2 ARG A 34 -8.849 -11.607 -6.509 1.00 73.23 H new ATOM 0 HB3 ARG A 34 -7.895 -10.779 -5.296 1.00 73.23 H new ATOM 0 HG2 ARG A 34 -6.571 -12.558 -6.269 1.00 23.23 H new ATOM 0 HG3 ARG A 34 -6.912 -12.955 -4.596 1.00 23.23 H new ATOM 0 HD2 ARG A 34 -8.793 -14.391 -5.294 1.00 70.21 H new ATOM 0 HD3 ARG A 34 -8.525 -13.956 -6.971 1.00 70.21 H new ATOM 0 HE ARG A 34 -6.329 -15.278 -5.452 1.00 44.31 H new ATOM 0 HH11 ARG A 34 -8.632 -15.271 -8.151 1.00 55.22 H new ATOM 0 HH12 ARG A 34 -7.987 -16.760 -8.850 1.00 55.22 H new ATOM 0 HH21 ARG A 34 -5.558 -17.218 -6.317 1.00 42.21 H new ATOM 0 HH22 ARG A 34 -6.246 -17.861 -7.812 1.00 42.21 H new ATOM 486 N VAL A 35 -9.044 -10.503 -2.586 1.00 42.54 N ATOM 487 CA VAL A 35 -8.646 -10.212 -1.211 1.00 42.42 C ATOM 488 C VAL A 35 -9.625 -10.879 -0.263 1.00 4.21 C ATOM 489 O VAL A 35 -9.228 -11.492 0.732 1.00 4.44 O ATOM 490 CB VAL A 35 -8.562 -8.687 -0.908 1.00 3.10 C ATOM 491 CG1 VAL A 35 -8.187 -8.438 0.545 1.00 70.42 C ATOM 492 CG2 VAL A 35 -7.555 -8.012 -1.811 1.00 34.33 C ATOM 0 H VAL A 35 -9.381 -9.696 -3.111 1.00 42.54 H new ATOM 0 HA VAL A 35 -7.641 -10.608 -1.069 1.00 42.42 H new ATOM 0 HB VAL A 35 -9.548 -8.263 -1.096 1.00 3.10 H new ATOM 0 HG11 VAL A 35 -8.135 -7.365 0.729 1.00 70.42 H new ATOM 0 HG12 VAL A 35 -8.940 -8.882 1.196 1.00 70.42 H new ATOM 0 HG13 VAL A 35 -7.216 -8.889 0.753 1.00 70.42 H new ATOM 0 HG21 VAL A 35 -7.515 -6.948 -1.580 1.00 34.33 H new ATOM 0 HG22 VAL A 35 -6.571 -8.455 -1.654 1.00 34.33 H new ATOM 0 HG23 VAL A 35 -7.852 -8.146 -2.851 1.00 34.33 H new ATOM 502 N ALA A 36 -10.901 -10.791 -0.609 1.00 53.50 N ATOM 503 CA ALA A 36 -11.955 -11.448 0.143 1.00 63.44 C ATOM 504 C ALA A 36 -11.701 -12.956 0.172 1.00 3.23 C ATOM 505 O ALA A 36 -11.854 -13.610 1.201 1.00 33.33 O ATOM 506 CB ALA A 36 -13.299 -11.144 -0.499 1.00 34.44 C ATOM 0 H ALA A 36 -11.232 -10.263 -1.417 1.00 53.50 H new ATOM 0 HA ALA A 36 -11.964 -11.077 1.168 1.00 63.44 H new ATOM 0 HB1 ALA A 36 -14.091 -11.637 0.065 1.00 34.44 H new ATOM 0 HB2 ALA A 36 -13.468 -10.067 -0.497 1.00 34.44 H new ATOM 0 HB3 ALA A 36 -13.303 -11.510 -1.526 1.00 34.44 H new ATOM 512 N GLU A 37 -11.258 -13.464 -0.968 1.00 52.12 N ATOM 513 CA GLU A 37 -10.907 -14.858 -1.165 1.00 34.53 C ATOM 514 C GLU A 37 -9.755 -15.232 -0.233 1.00 32.05 C ATOM 515 O GLU A 37 -9.781 -16.254 0.437 1.00 24.20 O ATOM 516 CB GLU A 37 -10.423 -15.022 -2.611 1.00 32.13 C ATOM 517 CG GLU A 37 -10.251 -16.452 -3.091 1.00 55.24 C ATOM 518 CD GLU A 37 -11.558 -17.164 -3.232 1.00 34.31 C ATOM 519 OE1 GLU A 37 -12.066 -17.707 -2.235 1.00 51.13 O ATOM 520 OE2 GLU A 37 -12.120 -17.170 -4.340 1.00 51.44 O ATOM 0 H GLU A 37 -11.130 -12.898 -1.807 1.00 52.12 H new ATOM 0 HA GLU A 37 -11.769 -15.493 -0.960 1.00 34.53 H new ATOM 0 HB2 GLU A 37 -11.131 -14.520 -3.270 1.00 32.13 H new ATOM 0 HB3 GLU A 37 -9.469 -14.506 -2.716 1.00 32.13 H new ATOM 0 HG2 GLU A 37 -9.735 -16.451 -4.051 1.00 55.24 H new ATOM 0 HG3 GLU A 37 -9.618 -16.995 -2.389 1.00 55.24 H new ATOM 527 N LEU A 38 -8.772 -14.361 -0.181 1.00 43.45 N ATOM 528 CA LEU A 38 -7.554 -14.588 0.561 1.00 20.53 C ATOM 529 C LEU A 38 -7.797 -14.561 2.068 1.00 22.30 C ATOM 530 O LEU A 38 -7.348 -15.453 2.793 1.00 53.11 O ATOM 531 CB LEU A 38 -6.532 -13.526 0.184 1.00 1.32 C ATOM 532 CG LEU A 38 -5.130 -13.728 0.724 1.00 71.04 C ATOM 533 CD1 LEU A 38 -4.452 -14.912 0.047 1.00 4.32 C ATOM 534 CD2 LEU A 38 -4.321 -12.472 0.555 1.00 72.23 C ATOM 0 H LEU A 38 -8.798 -13.461 -0.661 1.00 43.45 H new ATOM 0 HA LEU A 38 -7.179 -15.579 0.305 1.00 20.53 H new ATOM 0 HB2 LEU A 38 -6.477 -13.474 -0.903 1.00 1.32 H new ATOM 0 HB3 LEU A 38 -6.897 -12.560 0.531 1.00 1.32 H new ATOM 0 HG LEU A 38 -5.198 -13.951 1.789 1.00 71.04 H new ATOM 0 HD11 LEU A 38 -3.448 -15.036 0.452 1.00 4.32 H new ATOM 0 HD12 LEU A 38 -5.032 -15.817 0.230 1.00 4.32 H new ATOM 0 HD13 LEU A 38 -4.391 -14.732 -1.026 1.00 4.32 H new ATOM 0 HD21 LEU A 38 -3.316 -12.631 0.947 1.00 72.23 H new ATOM 0 HD22 LEU A 38 -4.262 -12.217 -0.503 1.00 72.23 H new ATOM 0 HD23 LEU A 38 -4.798 -11.656 1.099 1.00 72.23 H new ATOM 546 N LEU A 39 -8.530 -13.567 2.520 1.00 64.03 N ATOM 547 CA LEU A 39 -8.790 -13.388 3.943 1.00 22.13 C ATOM 548 C LEU A 39 -9.918 -14.286 4.423 1.00 15.13 C ATOM 549 O LEU A 39 -10.056 -14.530 5.615 1.00 32.23 O ATOM 550 CB LEU A 39 -9.135 -11.920 4.237 1.00 62.15 C ATOM 551 CG LEU A 39 -8.030 -10.879 4.005 1.00 35.42 C ATOM 552 CD1 LEU A 39 -8.588 -9.478 4.180 1.00 41.44 C ATOM 553 CD2 LEU A 39 -6.881 -11.090 4.975 1.00 1.10 C ATOM 0 H LEU A 39 -8.962 -12.862 1.922 1.00 64.03 H new ATOM 0 HA LEU A 39 -7.884 -13.666 4.482 1.00 22.13 H new ATOM 0 HB2 LEU A 39 -9.992 -11.645 3.623 1.00 62.15 H new ATOM 0 HB3 LEU A 39 -9.452 -11.849 5.277 1.00 62.15 H new ATOM 0 HG LEU A 39 -7.659 -10.998 2.987 1.00 35.42 H new ATOM 0 HD11 LEU A 39 -7.796 -8.748 4.013 1.00 41.44 H new ATOM 0 HD12 LEU A 39 -9.391 -9.314 3.461 1.00 41.44 H new ATOM 0 HD13 LEU A 39 -8.978 -9.366 5.191 1.00 41.44 H new ATOM 0 HD21 LEU A 39 -6.109 -10.342 4.793 1.00 1.10 H new ATOM 0 HD22 LEU A 39 -7.246 -10.994 5.998 1.00 1.10 H new ATOM 0 HD23 LEU A 39 -6.462 -12.086 4.831 1.00 1.10 H new ATOM 565 N GLY A 40 -10.718 -14.777 3.498 1.00 70.13 N ATOM 566 CA GLY A 40 -11.833 -15.627 3.855 1.00 2.04 C ATOM 567 C GLY A 40 -12.967 -14.817 4.446 1.00 25.52 C ATOM 568 O GLY A 40 -13.746 -15.306 5.266 1.00 10.15 O ATOM 0 H GLY A 40 -10.617 -14.602 2.498 1.00 70.13 H new ATOM 0 HA2 GLY A 40 -12.185 -16.161 2.972 1.00 2.04 H new ATOM 0 HA3 GLY A 40 -11.506 -16.379 4.573 1.00 2.04 H new ATOM 572 N VAL A 41 -13.049 -13.577 4.040 1.00 45.22 N ATOM 573 CA VAL A 41 -14.061 -12.656 4.525 1.00 33.55 C ATOM 574 C VAL A 41 -14.800 -12.077 3.321 1.00 73.12 C ATOM 575 O VAL A 41 -14.335 -12.230 2.204 1.00 41.31 O ATOM 576 CB VAL A 41 -13.423 -11.487 5.369 1.00 3.12 C ATOM 577 CG1 VAL A 41 -12.612 -12.021 6.538 1.00 4.33 C ATOM 578 CG2 VAL A 41 -12.573 -10.564 4.506 1.00 64.12 C ATOM 0 H VAL A 41 -12.412 -13.167 3.357 1.00 45.22 H new ATOM 0 HA VAL A 41 -14.747 -13.196 5.177 1.00 33.55 H new ATOM 0 HB VAL A 41 -14.250 -10.901 5.770 1.00 3.12 H new ATOM 0 HG11 VAL A 41 -12.187 -11.187 7.097 1.00 4.33 H new ATOM 0 HG12 VAL A 41 -13.259 -12.605 7.193 1.00 4.33 H new ATOM 0 HG13 VAL A 41 -11.808 -12.654 6.164 1.00 4.33 H new ATOM 0 HG21 VAL A 41 -12.152 -9.772 5.126 1.00 64.12 H new ATOM 0 HG22 VAL A 41 -11.765 -11.135 4.048 1.00 64.12 H new ATOM 0 HG23 VAL A 41 -13.193 -10.123 3.725 1.00 64.12 H new ATOM 588 N PRO A 42 -15.977 -11.470 3.500 1.00 30.33 N ATOM 589 CA PRO A 42 -16.664 -10.807 2.398 1.00 50.45 C ATOM 590 C PRO A 42 -15.936 -9.518 1.983 1.00 24.11 C ATOM 591 O PRO A 42 -15.194 -8.910 2.791 1.00 44.13 O ATOM 592 CB PRO A 42 -18.038 -10.469 2.984 1.00 22.10 C ATOM 593 CG PRO A 42 -17.816 -10.398 4.445 1.00 34.11 C ATOM 594 CD PRO A 42 -16.766 -11.424 4.746 1.00 43.22 C ATOM 0 HA PRO A 42 -16.713 -11.429 1.504 1.00 50.45 H new ATOM 0 HB2 PRO A 42 -18.413 -9.523 2.594 1.00 22.10 H new ATOM 0 HB3 PRO A 42 -18.775 -11.232 2.732 1.00 22.10 H new ATOM 0 HG2 PRO A 42 -17.487 -9.402 4.743 1.00 34.11 H new ATOM 0 HG3 PRO A 42 -18.736 -10.607 4.991 1.00 34.11 H new ATOM 0 HD2 PRO A 42 -16.154 -11.136 5.601 1.00 43.22 H new ATOM 0 HD3 PRO A 42 -17.205 -12.393 4.981 1.00 43.22 H new ATOM 602 N VAL A 43 -16.179 -9.089 0.749 1.00 54.15 N ATOM 603 CA VAL A 43 -15.583 -7.873 0.177 1.00 74.15 C ATOM 604 C VAL A 43 -15.938 -6.670 1.040 1.00 15.43 C ATOM 605 O VAL A 43 -15.130 -5.757 1.225 1.00 54.41 O ATOM 606 CB VAL A 43 -16.098 -7.622 -1.270 1.00 34.33 C ATOM 607 CG1 VAL A 43 -15.462 -6.384 -1.880 1.00 12.25 C ATOM 608 CG2 VAL A 43 -15.850 -8.829 -2.148 1.00 62.21 C ATOM 0 H VAL A 43 -16.802 -9.577 0.105 1.00 54.15 H new ATOM 0 HA VAL A 43 -14.502 -8.012 0.148 1.00 74.15 H new ATOM 0 HB VAL A 43 -17.173 -7.452 -1.209 1.00 34.33 H new ATOM 0 HG11 VAL A 43 -15.844 -6.239 -2.890 1.00 12.25 H new ATOM 0 HG12 VAL A 43 -15.705 -5.513 -1.272 1.00 12.25 H new ATOM 0 HG13 VAL A 43 -14.380 -6.511 -1.916 1.00 12.25 H new ATOM 0 HG21 VAL A 43 -16.219 -8.629 -3.154 1.00 62.21 H new ATOM 0 HG22 VAL A 43 -14.781 -9.036 -2.188 1.00 62.21 H new ATOM 0 HG23 VAL A 43 -16.372 -9.692 -1.735 1.00 62.21 H new ATOM 618 N SER A 44 -17.128 -6.714 1.598 1.00 10.30 N ATOM 619 CA SER A 44 -17.620 -5.686 2.471 1.00 33.52 C ATOM 620 C SER A 44 -16.688 -5.483 3.677 1.00 12.33 C ATOM 621 O SER A 44 -16.365 -4.347 4.019 1.00 10.51 O ATOM 622 CB SER A 44 -19.018 -6.059 2.911 1.00 41.33 C ATOM 623 OG SER A 44 -19.858 -6.222 1.774 1.00 13.44 O ATOM 0 H SER A 44 -17.786 -7.479 1.452 1.00 10.30 H new ATOM 0 HA SER A 44 -17.648 -4.736 1.937 1.00 33.52 H new ATOM 0 HB2 SER A 44 -18.992 -6.982 3.490 1.00 41.33 H new ATOM 0 HB3 SER A 44 -19.422 -5.285 3.564 1.00 41.33 H new ATOM 0 HG SER A 44 -20.761 -6.465 2.067 1.00 13.44 H new ATOM 629 N LYS A 45 -16.202 -6.582 4.280 1.00 2.12 N ATOM 630 CA LYS A 45 -15.278 -6.461 5.401 1.00 35.03 C ATOM 631 C LYS A 45 -13.942 -5.930 4.951 1.00 13.42 C ATOM 632 O LYS A 45 -13.288 -5.203 5.682 1.00 14.32 O ATOM 633 CB LYS A 45 -15.093 -7.756 6.194 1.00 22.40 C ATOM 634 CG LYS A 45 -16.288 -8.161 7.047 1.00 75.14 C ATOM 635 CD LYS A 45 -15.949 -9.330 7.973 1.00 35.23 C ATOM 636 CE LYS A 45 -14.892 -8.938 9.003 1.00 23.50 C ATOM 637 NZ LYS A 45 -14.527 -10.058 9.888 1.00 20.44 N ATOM 0 H LYS A 45 -16.432 -7.539 4.012 1.00 2.12 H new ATOM 0 HA LYS A 45 -15.741 -5.746 6.081 1.00 35.03 H new ATOM 0 HB2 LYS A 45 -14.872 -8.564 5.496 1.00 22.40 H new ATOM 0 HB3 LYS A 45 -14.223 -7.647 6.841 1.00 22.40 H new ATOM 0 HG2 LYS A 45 -16.617 -7.309 7.642 1.00 75.14 H new ATOM 0 HG3 LYS A 45 -17.120 -8.438 6.400 1.00 75.14 H new ATOM 0 HD2 LYS A 45 -16.852 -9.664 8.485 1.00 35.23 H new ATOM 0 HD3 LYS A 45 -15.588 -10.172 7.382 1.00 35.23 H new ATOM 0 HE2 LYS A 45 -14.001 -8.581 8.487 1.00 23.50 H new ATOM 0 HE3 LYS A 45 -15.265 -8.110 9.605 1.00 23.50 H new ATOM 0 HZ1 LYS A 45 -13.807 -9.742 10.569 1.00 20.44 H new ATOM 0 HZ2 LYS A 45 -15.371 -10.383 10.402 1.00 20.44 H new ATOM 0 HZ3 LYS A 45 -14.145 -10.840 9.319 1.00 20.44 H new ATOM 651 N VAL A 46 -13.547 -6.288 3.740 1.00 32.54 N ATOM 652 CA VAL A 46 -12.299 -5.796 3.156 1.00 73.33 C ATOM 653 C VAL A 46 -12.376 -4.274 3.015 1.00 32.10 C ATOM 654 O VAL A 46 -11.446 -3.548 3.389 1.00 50.21 O ATOM 655 CB VAL A 46 -12.027 -6.427 1.763 1.00 51.21 C ATOM 656 CG1 VAL A 46 -10.752 -5.866 1.149 1.00 21.32 C ATOM 657 CG2 VAL A 46 -11.946 -7.942 1.861 1.00 71.21 C ATOM 0 H VAL A 46 -14.072 -6.920 3.136 1.00 32.54 H new ATOM 0 HA VAL A 46 -11.481 -6.079 3.819 1.00 73.33 H new ATOM 0 HB VAL A 46 -12.862 -6.168 1.112 1.00 51.21 H new ATOM 0 HG11 VAL A 46 -10.585 -6.325 0.174 1.00 21.32 H new ATOM 0 HG12 VAL A 46 -10.850 -4.787 1.030 1.00 21.32 H new ATOM 0 HG13 VAL A 46 -9.907 -6.084 1.802 1.00 21.32 H new ATOM 0 HG21 VAL A 46 -11.755 -8.361 0.873 1.00 71.21 H new ATOM 0 HG22 VAL A 46 -11.136 -8.220 2.536 1.00 71.21 H new ATOM 0 HG23 VAL A 46 -12.888 -8.333 2.245 1.00 71.21 H new ATOM 667 N ALA A 47 -13.510 -3.807 2.520 1.00 22.45 N ATOM 668 CA ALA A 47 -13.760 -2.391 2.359 1.00 22.14 C ATOM 669 C ALA A 47 -13.758 -1.693 3.714 1.00 53.41 C ATOM 670 O ALA A 47 -13.270 -0.581 3.841 1.00 40.33 O ATOM 671 CB ALA A 47 -15.068 -2.164 1.631 1.00 70.54 C ATOM 0 H ALA A 47 -14.282 -4.402 2.219 1.00 22.45 H new ATOM 0 HA ALA A 47 -12.960 -1.961 1.757 1.00 22.14 H new ATOM 0 HB1 ALA A 47 -15.241 -1.094 1.518 1.00 70.54 H new ATOM 0 HB2 ALA A 47 -15.022 -2.630 0.647 1.00 70.54 H new ATOM 0 HB3 ALA A 47 -15.884 -2.605 2.203 1.00 70.54 H new ATOM 677 N GLN A 48 -14.278 -2.376 4.727 1.00 61.14 N ATOM 678 CA GLN A 48 -14.279 -1.857 6.095 1.00 2.44 C ATOM 679 C GLN A 48 -12.849 -1.691 6.602 1.00 24.24 C ATOM 680 O GLN A 48 -12.534 -0.719 7.257 1.00 43.15 O ATOM 681 CB GLN A 48 -15.057 -2.773 7.041 1.00 22.55 C ATOM 682 CG GLN A 48 -16.548 -2.843 6.773 1.00 13.24 C ATOM 683 CD GLN A 48 -17.235 -3.849 7.667 1.00 23.32 C ATOM 684 OE1 GLN A 48 -17.365 -5.021 7.321 1.00 60.01 O ATOM 685 NE2 GLN A 48 -17.666 -3.416 8.815 1.00 60.23 N ATOM 0 H GLN A 48 -14.707 -3.296 4.629 1.00 61.14 H new ATOM 0 HA GLN A 48 -14.772 -0.885 6.077 1.00 2.44 H new ATOM 0 HB2 GLN A 48 -14.642 -3.779 6.974 1.00 22.55 H new ATOM 0 HB3 GLN A 48 -14.901 -2.432 8.064 1.00 22.55 H new ATOM 0 HG2 GLN A 48 -16.991 -1.859 6.927 1.00 13.24 H new ATOM 0 HG3 GLN A 48 -16.717 -3.109 5.730 1.00 13.24 H new ATOM 0 HE21 GLN A 48 -17.541 -2.436 9.070 1.00 60.23 H new ATOM 0 HE22 GLN A 48 -18.129 -4.056 9.460 1.00 60.23 H new ATOM 694 N GLN A 49 -11.987 -2.649 6.269 1.00 51.45 N ATOM 695 CA GLN A 49 -10.569 -2.602 6.654 1.00 55.43 C ATOM 696 C GLN A 49 -9.900 -1.420 5.991 1.00 40.43 C ATOM 697 O GLN A 49 -9.133 -0.686 6.612 1.00 2.23 O ATOM 698 CB GLN A 49 -9.860 -3.896 6.260 1.00 31.04 C ATOM 699 CG GLN A 49 -10.493 -5.105 6.881 1.00 22.30 C ATOM 700 CD GLN A 49 -9.760 -6.397 6.609 1.00 34.33 C ATOM 701 OE1 GLN A 49 -8.545 -6.427 6.452 1.00 65.43 O ATOM 702 NE2 GLN A 49 -10.493 -7.481 6.563 1.00 45.41 N ATOM 0 H GLN A 49 -12.244 -3.475 5.729 1.00 51.45 H new ATOM 0 HA GLN A 49 -10.504 -2.492 7.737 1.00 55.43 H new ATOM 0 HB2 GLN A 49 -9.873 -3.999 5.175 1.00 31.04 H new ATOM 0 HB3 GLN A 49 -8.814 -3.841 6.562 1.00 31.04 H new ATOM 0 HG2 GLN A 49 -10.555 -4.956 7.959 1.00 22.30 H new ATOM 0 HG3 GLN A 49 -11.515 -5.196 6.513 1.00 22.30 H new ATOM 0 HE21 GLN A 49 -11.502 -7.420 6.698 1.00 45.41 H new ATOM 0 HE22 GLN A 49 -10.055 -8.386 6.392 1.00 45.41 H new ATOM 711 N LEU A 50 -10.229 -1.232 4.740 1.00 42.32 N ATOM 712 CA LEU A 50 -9.740 -0.094 3.958 1.00 5.35 C ATOM 713 C LEU A 50 -10.239 1.212 4.596 1.00 71.04 C ATOM 714 O LEU A 50 -9.498 2.179 4.731 1.00 63.33 O ATOM 715 CB LEU A 50 -10.239 -0.203 2.501 1.00 52.12 C ATOM 716 CG LEU A 50 -9.835 0.929 1.539 1.00 54.05 C ATOM 717 CD1 LEU A 50 -8.327 0.981 1.345 1.00 45.10 C ATOM 718 CD2 LEU A 50 -10.543 0.769 0.203 1.00 51.34 C ATOM 0 H LEU A 50 -10.845 -1.858 4.220 1.00 42.32 H new ATOM 0 HA LEU A 50 -8.650 -0.097 3.952 1.00 5.35 H new ATOM 0 HB2 LEU A 50 -9.877 -1.144 2.088 1.00 52.12 H new ATOM 0 HB3 LEU A 50 -11.327 -0.261 2.519 1.00 52.12 H new ATOM 0 HG LEU A 50 -10.143 1.874 1.986 1.00 54.05 H new ATOM 0 HD11 LEU A 50 -8.076 1.791 0.660 1.00 45.10 H new ATOM 0 HD12 LEU A 50 -7.842 1.155 2.306 1.00 45.10 H new ATOM 0 HD13 LEU A 50 -7.981 0.035 0.930 1.00 45.10 H new ATOM 0 HD21 LEU A 50 -10.246 1.577 -0.465 1.00 51.34 H new ATOM 0 HD22 LEU A 50 -10.270 -0.188 -0.241 1.00 51.34 H new ATOM 0 HD23 LEU A 50 -11.622 0.803 0.356 1.00 51.34 H new ATOM 730 N ARG A 51 -11.489 1.192 5.033 1.00 32.41 N ATOM 731 CA ARG A 51 -12.111 2.320 5.709 1.00 62.04 C ATOM 732 C ARG A 51 -11.528 2.578 7.082 1.00 41.33 C ATOM 733 O ARG A 51 -11.673 3.670 7.610 1.00 10.25 O ATOM 734 CB ARG A 51 -13.629 2.150 5.823 1.00 10.14 C ATOM 735 CG ARG A 51 -14.394 2.364 4.535 1.00 60.42 C ATOM 736 CD ARG A 51 -14.189 3.773 4.032 1.00 5.15 C ATOM 737 NE ARG A 51 -15.067 4.102 2.925 1.00 23.21 N ATOM 738 CZ ARG A 51 -14.955 5.202 2.180 1.00 34.13 C ATOM 739 NH1 ARG A 51 -13.918 6.028 2.342 1.00 22.22 N ATOM 740 NH2 ARG A 51 -15.872 5.467 1.264 1.00 51.34 N ATOM 0 H ARG A 51 -12.105 0.386 4.928 1.00 32.41 H new ATOM 0 HA ARG A 51 -11.895 3.186 5.084 1.00 62.04 H new ATOM 0 HB2 ARG A 51 -13.841 1.146 6.191 1.00 10.14 H new ATOM 0 HB3 ARG A 51 -14.003 2.849 6.571 1.00 10.14 H new ATOM 0 HG2 ARG A 51 -14.060 1.650 3.783 1.00 60.42 H new ATOM 0 HG3 ARG A 51 -15.456 2.180 4.700 1.00 60.42 H new ATOM 0 HD2 ARG A 51 -14.360 4.475 4.848 1.00 5.15 H new ATOM 0 HD3 ARG A 51 -13.152 3.896 3.718 1.00 5.15 H new ATOM 0 HE ARG A 51 -15.819 3.450 2.702 1.00 23.21 H new ATOM 0 HH11 ARG A 51 -13.204 5.819 3.040 1.00 22.22 H new ATOM 0 HH12 ARG A 51 -13.840 6.867 1.768 1.00 22.22 H new ATOM 0 HH21 ARG A 51 -16.659 4.831 1.131 1.00 51.34 H new ATOM 0 HH22 ARG A 51 -15.792 6.307 0.691 1.00 51.34 H new ATOM 754 N GLU A 52 -10.915 1.580 7.685 1.00 74.21 N ATOM 755 CA GLU A 52 -10.317 1.771 8.989 1.00 44.54 C ATOM 756 C GLU A 52 -8.858 2.147 8.875 1.00 24.55 C ATOM 757 O GLU A 52 -8.283 2.631 9.829 1.00 43.31 O ATOM 758 CB GLU A 52 -10.446 0.526 9.866 1.00 73.25 C ATOM 759 CG GLU A 52 -11.867 0.140 10.225 1.00 43.13 C ATOM 760 CD GLU A 52 -11.902 -1.009 11.194 1.00 44.14 C ATOM 761 OE1 GLU A 52 -11.582 -2.153 10.797 1.00 72.02 O ATOM 762 OE2 GLU A 52 -12.232 -0.796 12.374 1.00 2.21 O ATOM 0 H GLU A 52 -10.819 0.641 7.299 1.00 74.21 H new ATOM 0 HA GLU A 52 -10.865 2.587 9.460 1.00 44.54 H new ATOM 0 HB2 GLU A 52 -9.977 -0.313 9.352 1.00 73.25 H new ATOM 0 HB3 GLU A 52 -9.886 0.689 10.787 1.00 73.25 H new ATOM 0 HG2 GLU A 52 -12.379 0.999 10.660 1.00 43.13 H new ATOM 0 HG3 GLU A 52 -12.411 -0.130 9.320 1.00 43.13 H new ATOM 769 N GLY A 53 -8.295 1.990 7.693 1.00 71.32 N ATOM 770 CA GLY A 53 -6.884 2.268 7.498 1.00 73.42 C ATOM 771 C GLY A 53 -6.034 1.078 7.880 1.00 60.13 C ATOM 772 O GLY A 53 -4.890 1.216 8.304 1.00 64.00 O ATOM 0 H GLY A 53 -8.788 1.674 6.858 1.00 71.32 H new ATOM 0 HA2 GLY A 53 -6.703 2.528 6.455 1.00 73.42 H new ATOM 0 HA3 GLY A 53 -6.595 3.132 8.097 1.00 73.42 H new ATOM 776 N HIS A 54 -6.613 -0.091 7.734 1.00 71.31 N ATOM 777 CA HIS A 54 -5.943 -1.339 8.038 1.00 30.31 C ATOM 778 C HIS A 54 -5.187 -1.794 6.791 1.00 21.21 C ATOM 779 O HIS A 54 -4.151 -2.439 6.871 1.00 50.22 O ATOM 780 CB HIS A 54 -7.010 -2.377 8.450 1.00 73.35 C ATOM 781 CG HIS A 54 -6.497 -3.702 8.963 1.00 33.23 C ATOM 782 ND1 HIS A 54 -6.743 -4.170 10.233 1.00 63.25 N ATOM 783 CD2 HIS A 54 -5.804 -4.681 8.338 1.00 51.04 C ATOM 784 CE1 HIS A 54 -6.209 -5.386 10.337 1.00 72.13 C ATOM 785 NE2 HIS A 54 -5.625 -5.751 9.213 1.00 42.34 N ATOM 0 H HIS A 54 -7.569 -0.206 7.399 1.00 71.31 H new ATOM 0 HA HIS A 54 -5.233 -1.222 8.857 1.00 30.31 H new ATOM 0 HB2 HIS A 54 -7.639 -1.932 9.222 1.00 73.35 H new ATOM 0 HB3 HIS A 54 -7.650 -2.569 7.589 1.00 73.35 H new ATOM 0 HD1 HIS A 54 -7.247 -3.672 10.967 1.00 63.25 H new ATOM 0 HD2 HIS A 54 -5.445 -4.640 7.320 1.00 51.04 H new ATOM 0 HE1 HIS A 54 -6.249 -5.995 11.228 1.00 72.13 H new ATOM 793 N LEU A 55 -5.700 -1.404 5.652 1.00 23.45 N ATOM 794 CA LEU A 55 -5.149 -1.781 4.382 1.00 20.35 C ATOM 795 C LEU A 55 -5.356 -0.613 3.431 1.00 60.12 C ATOM 796 O LEU A 55 -6.214 0.235 3.691 1.00 43.31 O ATOM 797 CB LEU A 55 -5.888 -3.031 3.868 1.00 54.41 C ATOM 798 CG LEU A 55 -5.363 -3.675 2.584 1.00 65.54 C ATOM 799 CD1 LEU A 55 -3.953 -4.216 2.788 1.00 63.13 C ATOM 800 CD2 LEU A 55 -6.304 -4.777 2.125 1.00 4.25 C ATOM 0 H LEU A 55 -6.524 -0.807 5.583 1.00 23.45 H new ATOM 0 HA LEU A 55 -4.087 -2.014 4.461 1.00 20.35 H new ATOM 0 HB2 LEU A 55 -5.867 -3.784 4.656 1.00 54.41 H new ATOM 0 HB3 LEU A 55 -6.933 -2.764 3.709 1.00 54.41 H new ATOM 0 HG LEU A 55 -5.320 -2.912 1.807 1.00 65.54 H new ATOM 0 HD11 LEU A 55 -3.600 -4.670 1.862 1.00 63.13 H new ATOM 0 HD12 LEU A 55 -3.287 -3.400 3.069 1.00 63.13 H new ATOM 0 HD13 LEU A 55 -3.962 -4.966 3.579 1.00 63.13 H new ATOM 0 HD21 LEU A 55 -5.918 -5.227 1.210 1.00 4.25 H new ATOM 0 HD22 LEU A 55 -6.378 -5.539 2.901 1.00 4.25 H new ATOM 0 HD23 LEU A 55 -7.291 -4.356 1.934 1.00 4.25 H new ATOM 812 N VAL A 56 -4.577 -0.543 2.367 1.00 31.20 N ATOM 813 CA VAL A 56 -4.713 0.510 1.392 1.00 2.14 C ATOM 814 C VAL A 56 -4.585 -0.105 -0.009 1.00 5.43 C ATOM 815 O VAL A 56 -4.009 -1.190 -0.160 1.00 41.14 O ATOM 816 CB VAL A 56 -3.670 1.651 1.624 1.00 34.00 C ATOM 817 CG1 VAL A 56 -2.245 1.200 1.359 1.00 5.02 C ATOM 818 CG2 VAL A 56 -4.015 2.912 0.844 1.00 21.20 C ATOM 0 H VAL A 56 -3.837 -1.214 2.160 1.00 31.20 H new ATOM 0 HA VAL A 56 -5.693 0.975 1.494 1.00 2.14 H new ATOM 0 HB VAL A 56 -3.727 1.903 2.683 1.00 34.00 H new ATOM 0 HG11 VAL A 56 -1.562 2.031 1.535 1.00 5.02 H new ATOM 0 HG12 VAL A 56 -1.994 0.376 2.027 1.00 5.02 H new ATOM 0 HG13 VAL A 56 -2.155 0.869 0.324 1.00 5.02 H new ATOM 0 HG21 VAL A 56 -3.262 3.676 1.037 1.00 21.20 H new ATOM 0 HG22 VAL A 56 -4.038 2.686 -0.222 1.00 21.20 H new ATOM 0 HG23 VAL A 56 -4.993 3.278 1.158 1.00 21.20 H new ATOM 828 N ALA A 57 -5.114 0.568 -0.997 1.00 71.14 N ATOM 829 CA ALA A 57 -5.178 0.065 -2.350 1.00 45.02 C ATOM 830 C ALA A 57 -4.820 1.163 -3.328 1.00 52.30 C ATOM 831 O ALA A 57 -4.849 2.334 -2.965 1.00 23.20 O ATOM 832 CB ALA A 57 -6.576 -0.447 -2.632 1.00 1.15 C ATOM 0 H ALA A 57 -5.520 1.497 -0.885 1.00 71.14 H new ATOM 0 HA ALA A 57 -4.466 -0.752 -2.466 1.00 45.02 H new ATOM 0 HB1 ALA A 57 -6.625 -0.827 -3.653 1.00 1.15 H new ATOM 0 HB2 ALA A 57 -6.817 -1.249 -1.934 1.00 1.15 H new ATOM 0 HB3 ALA A 57 -7.292 0.366 -2.512 1.00 1.15 H new ATOM 838 N VAL A 58 -4.495 0.787 -4.552 1.00 20.21 N ATOM 839 CA VAL A 58 -4.127 1.742 -5.586 1.00 44.25 C ATOM 840 C VAL A 58 -4.969 1.570 -6.832 1.00 41.24 C ATOM 841 O VAL A 58 -5.667 0.564 -7.001 1.00 52.01 O ATOM 842 CB VAL A 58 -2.627 1.702 -5.970 1.00 64.32 C ATOM 843 CG1 VAL A 58 -1.787 2.337 -4.889 1.00 60.01 C ATOM 844 CG2 VAL A 58 -2.163 0.269 -6.236 1.00 55.02 C ATOM 0 H VAL A 58 -4.478 -0.186 -4.858 1.00 20.21 H new ATOM 0 HA VAL A 58 -4.322 2.719 -5.144 1.00 44.25 H new ATOM 0 HB VAL A 58 -2.501 2.273 -6.890 1.00 64.32 H new ATOM 0 HG11 VAL A 58 -0.736 2.300 -5.176 1.00 60.01 H new ATOM 0 HG12 VAL A 58 -2.090 3.375 -4.755 1.00 60.01 H new ATOM 0 HG13 VAL A 58 -1.927 1.795 -3.954 1.00 60.01 H new ATOM 0 HG21 VAL A 58 -1.106 0.272 -6.503 1.00 55.02 H new ATOM 0 HG22 VAL A 58 -2.308 -0.333 -5.339 1.00 55.02 H new ATOM 0 HG23 VAL A 58 -2.743 -0.155 -7.056 1.00 55.02 H new ATOM 854 N ARG A 59 -4.902 2.554 -7.689 1.00 12.31 N ATOM 855 CA ARG A 59 -5.688 2.610 -8.900 1.00 2.44 C ATOM 856 C ARG A 59 -4.767 2.419 -10.089 1.00 45.24 C ATOM 857 O ARG A 59 -3.762 3.119 -10.220 1.00 74.13 O ATOM 858 CB ARG A 59 -6.381 3.985 -8.977 1.00 73.42 C ATOM 859 CG ARG A 59 -7.187 4.271 -10.245 1.00 31.54 C ATOM 860 CD ARG A 59 -8.422 3.402 -10.372 1.00 45.24 C ATOM 861 NE ARG A 59 -9.209 3.765 -11.563 1.00 24.11 N ATOM 862 CZ ARG A 59 -10.553 3.786 -11.638 1.00 21.41 C ATOM 863 NH1 ARG A 59 -11.304 3.519 -10.559 1.00 44.01 N ATOM 864 NH2 ARG A 59 -11.138 4.118 -12.783 1.00 61.24 N ATOM 0 H ARG A 59 -4.287 3.358 -7.565 1.00 12.31 H new ATOM 0 HA ARG A 59 -6.445 1.826 -8.904 1.00 2.44 H new ATOM 0 HB2 ARG A 59 -7.048 4.080 -8.120 1.00 73.42 H new ATOM 0 HB3 ARG A 59 -5.619 4.758 -8.875 1.00 73.42 H new ATOM 0 HG2 ARG A 59 -7.485 5.319 -10.250 1.00 31.54 H new ATOM 0 HG3 ARG A 59 -6.550 4.117 -11.116 1.00 31.54 H new ATOM 0 HD2 ARG A 59 -8.128 2.354 -10.433 1.00 45.24 H new ATOM 0 HD3 ARG A 59 -9.038 3.509 -9.479 1.00 45.24 H new ATOM 0 HE ARG A 59 -8.691 4.023 -12.403 1.00 24.11 H new ATOM 0 HH11 ARG A 59 -10.858 3.297 -9.669 1.00 44.01 H new ATOM 0 HH12 ARG A 59 -12.321 3.538 -10.628 1.00 44.01 H new ATOM 0 HH21 ARG A 59 -10.570 4.354 -13.596 1.00 61.24 H new ATOM 0 HH22 ARG A 59 -12.156 4.137 -12.849 1.00 61.24 H new ATOM 878 N ARG A 60 -5.089 1.444 -10.903 1.00 22.40 N ATOM 879 CA ARG A 60 -4.338 1.129 -12.112 1.00 52.20 C ATOM 880 C ARG A 60 -5.236 0.523 -13.128 1.00 21.02 C ATOM 881 O ARG A 60 -6.133 -0.254 -12.769 1.00 64.33 O ATOM 882 CB ARG A 60 -3.155 0.211 -11.824 1.00 42.33 C ATOM 883 CG ARG A 60 -3.492 -0.916 -10.878 1.00 5.33 C ATOM 884 CD ARG A 60 -2.328 -1.844 -10.667 1.00 74.41 C ATOM 885 NE ARG A 60 -2.244 -2.885 -11.679 1.00 64.25 N ATOM 886 CZ ARG A 60 -1.149 -3.585 -11.938 1.00 41.31 C ATOM 887 NH1 ARG A 60 0.046 -3.133 -11.540 1.00 52.01 N ATOM 888 NH2 ARG A 60 -1.245 -4.702 -12.644 1.00 53.31 N ATOM 0 H ARG A 60 -5.891 0.833 -10.749 1.00 22.40 H new ATOM 0 HA ARG A 60 -3.934 2.062 -12.505 1.00 52.20 H new ATOM 0 HB2 ARG A 60 -2.792 -0.208 -12.763 1.00 42.33 H new ATOM 0 HB3 ARG A 60 -2.341 0.800 -11.401 1.00 42.33 H new ATOM 0 HG2 ARG A 60 -3.804 -0.503 -9.919 1.00 5.33 H new ATOM 0 HG3 ARG A 60 -4.338 -1.479 -11.273 1.00 5.33 H new ATOM 0 HD2 ARG A 60 -1.404 -1.266 -10.670 1.00 74.41 H new ATOM 0 HD3 ARG A 60 -2.412 -2.306 -9.683 1.00 74.41 H new ATOM 0 HE ARG A 60 -3.081 -3.089 -12.224 1.00 64.25 H new ATOM 0 HH11 ARG A 60 0.115 -2.249 -11.037 1.00 52.01 H new ATOM 0 HH12 ARG A 60 0.888 -3.673 -11.740 1.00 52.01 H new ATOM 0 HH21 ARG A 60 -2.155 -5.015 -12.982 1.00 53.31 H new ATOM 0 HH22 ARG A 60 -0.409 -5.249 -12.849 1.00 53.31 H new ATOM 902 N ALA A 61 -5.041 0.953 -14.377 1.00 71.52 N ATOM 903 CA ALA A 61 -5.780 0.516 -15.572 1.00 74.22 C ATOM 904 C ALA A 61 -7.204 1.046 -15.541 1.00 22.53 C ATOM 905 O ALA A 61 -7.630 1.808 -16.405 1.00 51.22 O ATOM 906 CB ALA A 61 -5.748 -1.009 -15.734 1.00 32.13 C ATOM 0 H ALA A 61 -4.329 1.650 -14.597 1.00 71.52 H new ATOM 0 HA ALA A 61 -5.282 0.935 -16.446 1.00 74.22 H new ATOM 0 HB1 ALA A 61 -6.305 -1.292 -16.628 1.00 32.13 H new ATOM 0 HB2 ALA A 61 -4.715 -1.343 -15.829 1.00 32.13 H new ATOM 0 HB3 ALA A 61 -6.202 -1.477 -14.861 1.00 32.13 H new ATOM 912 N GLY A 62 -7.891 0.678 -14.526 1.00 51.33 N ATOM 913 CA GLY A 62 -9.245 1.077 -14.319 1.00 43.21 C ATOM 914 C GLY A 62 -9.835 0.368 -13.136 1.00 3.44 C ATOM 915 O GLY A 62 -11.048 0.216 -13.037 1.00 50.13 O ATOM 0 H GLY A 62 -7.523 0.074 -13.791 1.00 51.33 H new ATOM 0 HA2 GLY A 62 -9.291 2.155 -14.163 1.00 43.21 H new ATOM 0 HA3 GLY A 62 -9.833 0.858 -15.210 1.00 43.21 H new ATOM 919 N GLY A 63 -8.989 -0.057 -12.223 1.00 12.21 N ATOM 920 CA GLY A 63 -9.456 -0.792 -11.092 1.00 51.14 C ATOM 921 C GLY A 63 -8.686 -0.464 -9.860 1.00 65.02 C ATOM 922 O GLY A 63 -7.575 0.098 -9.940 1.00 23.12 O ATOM 0 H GLY A 63 -7.981 0.098 -12.250 1.00 12.21 H new ATOM 0 HA2 GLY A 63 -10.512 -0.575 -10.929 1.00 51.14 H new ATOM 0 HA3 GLY A 63 -9.378 -1.860 -11.296 1.00 51.14 H new ATOM 926 N VAL A 64 -9.269 -0.772 -8.733 1.00 0.13 N ATOM 927 CA VAL A 64 -8.646 -0.560 -7.457 1.00 4.41 C ATOM 928 C VAL A 64 -8.128 -1.905 -6.990 1.00 52.42 C ATOM 929 O VAL A 64 -8.899 -2.851 -6.829 1.00 44.23 O ATOM 930 CB VAL A 64 -9.672 0.007 -6.433 1.00 35.41 C ATOM 931 CG1 VAL A 64 -9.038 0.218 -5.071 1.00 64.41 C ATOM 932 CG2 VAL A 64 -10.269 1.311 -6.942 1.00 22.54 C ATOM 0 H VAL A 64 -10.201 -1.182 -8.676 1.00 0.13 H new ATOM 0 HA VAL A 64 -7.836 0.164 -7.540 1.00 4.41 H new ATOM 0 HB VAL A 64 -10.469 -0.728 -6.323 1.00 35.41 H new ATOM 0 HG11 VAL A 64 -9.782 0.615 -4.381 1.00 64.41 H new ATOM 0 HG12 VAL A 64 -8.663 -0.733 -4.693 1.00 64.41 H new ATOM 0 HG13 VAL A 64 -8.213 0.924 -5.159 1.00 64.41 H new ATOM 0 HG21 VAL A 64 -10.984 1.693 -6.213 1.00 22.54 H new ATOM 0 HG22 VAL A 64 -9.474 2.042 -7.088 1.00 22.54 H new ATOM 0 HG23 VAL A 64 -10.777 1.133 -7.890 1.00 22.54 H new ATOM 942 N VAL A 65 -6.852 -1.995 -6.787 1.00 22.23 N ATOM 943 CA VAL A 65 -6.220 -3.250 -6.449 1.00 14.31 C ATOM 944 C VAL A 65 -5.228 -3.067 -5.331 1.00 31.21 C ATOM 945 O VAL A 65 -4.751 -1.955 -5.081 1.00 1.40 O ATOM 946 CB VAL A 65 -5.511 -3.894 -7.672 1.00 14.44 C ATOM 947 CG1 VAL A 65 -6.518 -4.400 -8.700 1.00 13.41 C ATOM 948 CG2 VAL A 65 -4.587 -2.904 -8.317 1.00 42.42 C ATOM 0 H VAL A 65 -6.210 -1.205 -6.849 1.00 22.23 H new ATOM 0 HA VAL A 65 -7.013 -3.923 -6.123 1.00 14.31 H new ATOM 0 HB VAL A 65 -4.937 -4.746 -7.309 1.00 14.44 H new ATOM 0 HG11 VAL A 65 -5.987 -4.844 -9.542 1.00 13.41 H new ATOM 0 HG12 VAL A 65 -7.161 -5.150 -8.240 1.00 13.41 H new ATOM 0 HG13 VAL A 65 -7.127 -3.568 -9.054 1.00 13.41 H new ATOM 0 HG21 VAL A 65 -4.096 -3.368 -9.173 1.00 42.42 H new ATOM 0 HG22 VAL A 65 -5.158 -2.038 -8.652 1.00 42.42 H new ATOM 0 HG23 VAL A 65 -3.834 -2.586 -7.596 1.00 42.42 H new ATOM 958 N ILE A 66 -4.931 -4.140 -4.666 1.00 52.45 N ATOM 959 CA ILE A 66 -4.031 -4.134 -3.548 1.00 0.30 C ATOM 960 C ILE A 66 -2.837 -5.003 -3.917 1.00 11.54 C ATOM 961 O ILE A 66 -3.025 -6.115 -4.382 1.00 40.53 O ATOM 962 CB ILE A 66 -4.683 -4.720 -2.227 1.00 43.53 C ATOM 963 CG1 ILE A 66 -5.955 -3.956 -1.767 1.00 31.00 C ATOM 964 CG2 ILE A 66 -3.671 -4.731 -1.088 1.00 13.30 C ATOM 965 CD1 ILE A 66 -7.208 -4.180 -2.607 1.00 1.21 C ATOM 0 H ILE A 66 -5.311 -5.061 -4.886 1.00 52.45 H new ATOM 0 HA ILE A 66 -3.753 -3.100 -3.342 1.00 0.30 H new ATOM 0 HB ILE A 66 -4.988 -5.736 -2.477 1.00 43.53 H new ATOM 0 HG12 ILE A 66 -6.175 -4.242 -0.738 1.00 31.00 H new ATOM 0 HG13 ILE A 66 -5.732 -2.889 -1.760 1.00 31.00 H new ATOM 0 HG21 ILE A 66 -4.138 -5.137 -0.190 1.00 13.30 H new ATOM 0 HG22 ILE A 66 -2.818 -5.351 -1.365 1.00 13.30 H new ATOM 0 HG23 ILE A 66 -3.332 -3.714 -0.893 1.00 13.30 H new ATOM 0 HD11 ILE A 66 -8.032 -3.598 -2.194 1.00 1.21 H new ATOM 0 HD12 ILE A 66 -7.019 -3.864 -3.633 1.00 1.21 H new ATOM 0 HD13 ILE A 66 -7.469 -5.238 -2.595 1.00 1.21 H new ATOM 977 N PRO A 67 -1.612 -4.494 -3.800 1.00 55.31 N ATOM 978 CA PRO A 67 -0.405 -5.290 -4.040 1.00 45.44 C ATOM 979 C PRO A 67 -0.381 -6.554 -3.169 1.00 34.52 C ATOM 980 O PRO A 67 -0.600 -6.488 -1.963 1.00 52.41 O ATOM 981 CB PRO A 67 0.715 -4.355 -3.613 1.00 13.52 C ATOM 982 CG PRO A 67 0.161 -2.997 -3.821 1.00 40.54 C ATOM 983 CD PRO A 67 -1.291 -3.096 -3.472 1.00 44.24 C ATOM 0 HA PRO A 67 -0.332 -5.632 -5.073 1.00 45.44 H new ATOM 0 HB2 PRO A 67 0.991 -4.516 -2.571 1.00 13.52 H new ATOM 0 HB3 PRO A 67 1.614 -4.513 -4.209 1.00 13.52 H new ATOM 0 HG2 PRO A 67 0.667 -2.267 -3.190 1.00 40.54 H new ATOM 0 HG3 PRO A 67 0.295 -2.673 -4.853 1.00 40.54 H new ATOM 0 HD2 PRO A 67 -1.470 -2.877 -2.419 1.00 44.24 H new ATOM 0 HD3 PRO A 67 -1.894 -2.396 -4.050 1.00 44.24 H new ATOM 991 N GLN A 68 -0.087 -7.695 -3.785 1.00 32.14 N ATOM 992 CA GLN A 68 -0.070 -8.985 -3.098 1.00 70.10 C ATOM 993 C GLN A 68 0.972 -9.037 -1.990 1.00 55.10 C ATOM 994 O GLN A 68 0.816 -9.742 -1.000 1.00 30.42 O ATOM 995 CB GLN A 68 0.150 -10.073 -4.130 1.00 1.33 C ATOM 996 CG GLN A 68 0.321 -11.479 -3.588 1.00 61.24 C ATOM 997 CD GLN A 68 0.147 -12.524 -4.658 1.00 1.42 C ATOM 998 OE1 GLN A 68 -0.732 -12.264 -5.592 1.00 11.41 O flip ATOM 999 NE2 GLN A 68 0.762 -13.583 -4.617 1.00 52.11 N flip ATOM 0 H GLN A 68 0.147 -7.753 -4.776 1.00 32.14 H new ATOM 0 HA GLN A 68 -1.029 -9.138 -2.602 1.00 70.10 H new ATOM 0 HB2 GLN A 68 -0.696 -10.070 -4.818 1.00 1.33 H new ATOM 0 HB3 GLN A 68 1.035 -9.820 -4.713 1.00 1.33 H new ATOM 0 HG2 GLN A 68 1.311 -11.578 -3.143 1.00 61.24 H new ATOM 0 HG3 GLN A 68 -0.404 -11.651 -2.793 1.00 61.24 H new ATOM 0 HE21 GLN A 68 1.440 -13.751 -3.874 1.00 52.11 H new ATOM 0 HE22 GLN A 68 0.596 -14.297 -5.326 1.00 52.11 H new ATOM 1008 N VAL A 69 1.985 -8.231 -2.144 1.00 41.22 N ATOM 1009 CA VAL A 69 3.084 -8.156 -1.201 1.00 1.31 C ATOM 1010 C VAL A 69 2.674 -7.474 0.131 1.00 53.13 C ATOM 1011 O VAL A 69 3.465 -7.397 1.062 1.00 54.14 O ATOM 1012 CB VAL A 69 4.285 -7.428 -1.830 1.00 42.14 C ATOM 1013 CG1 VAL A 69 4.815 -8.207 -3.031 1.00 10.33 C ATOM 1014 CG2 VAL A 69 3.900 -6.012 -2.240 1.00 31.53 C ATOM 0 H VAL A 69 2.079 -7.596 -2.936 1.00 41.22 H new ATOM 0 HA VAL A 69 3.371 -9.180 -0.962 1.00 1.31 H new ATOM 0 HB VAL A 69 5.077 -7.366 -1.083 1.00 42.14 H new ATOM 0 HG11 VAL A 69 5.664 -7.677 -3.463 1.00 10.33 H new ATOM 0 HG12 VAL A 69 5.132 -9.199 -2.710 1.00 10.33 H new ATOM 0 HG13 VAL A 69 4.028 -8.302 -3.779 1.00 10.33 H new ATOM 0 HG21 VAL A 69 4.763 -5.514 -2.683 1.00 31.53 H new ATOM 0 HG22 VAL A 69 3.091 -6.052 -2.969 1.00 31.53 H new ATOM 0 HG23 VAL A 69 3.571 -5.456 -1.362 1.00 31.53 H new ATOM 1024 N PHE A 70 1.438 -6.983 0.193 1.00 30.24 N ATOM 1025 CA PHE A 70 0.878 -6.404 1.416 1.00 73.44 C ATOM 1026 C PHE A 70 0.342 -7.503 2.321 1.00 52.03 C ATOM 1027 O PHE A 70 -0.073 -7.267 3.463 1.00 70.14 O ATOM 1028 CB PHE A 70 -0.246 -5.402 1.081 1.00 25.52 C ATOM 1029 CG PHE A 70 0.210 -3.977 0.898 1.00 51.30 C ATOM 1030 CD1 PHE A 70 1.194 -3.641 -0.009 1.00 20.42 C ATOM 1031 CD2 PHE A 70 -0.363 -2.968 1.657 1.00 51.43 C ATOM 1032 CE1 PHE A 70 1.602 -2.328 -0.147 1.00 22.40 C ATOM 1033 CE2 PHE A 70 0.039 -1.663 1.528 1.00 25.14 C ATOM 1034 CZ PHE A 70 1.018 -1.339 0.629 1.00 53.44 C ATOM 0 H PHE A 70 0.797 -6.974 -0.600 1.00 30.24 H new ATOM 0 HA PHE A 70 1.673 -5.871 1.937 1.00 73.44 H new ATOM 0 HB2 PHE A 70 -0.745 -5.729 0.169 1.00 25.52 H new ATOM 0 HB3 PHE A 70 -0.989 -5.431 1.878 1.00 25.52 H new ATOM 0 HD1 PHE A 70 1.649 -4.410 -0.616 1.00 20.42 H new ATOM 0 HD2 PHE A 70 -1.141 -3.215 2.364 1.00 51.43 H new ATOM 0 HE1 PHE A 70 2.374 -2.073 -0.858 1.00 22.40 H new ATOM 0 HE2 PHE A 70 -0.416 -0.894 2.134 1.00 25.14 H new ATOM 0 HZ PHE A 70 1.336 -0.312 0.524 1.00 53.44 H new ATOM 1044 N PHE A 71 0.355 -8.699 1.818 1.00 74.32 N ATOM 1045 CA PHE A 71 -0.147 -9.810 2.546 1.00 5.13 C ATOM 1046 C PHE A 71 0.941 -10.804 2.802 1.00 51.14 C ATOM 1047 O PHE A 71 1.990 -10.793 2.151 1.00 42.54 O ATOM 1048 CB PHE A 71 -1.303 -10.478 1.805 1.00 41.13 C ATOM 1049 CG PHE A 71 -2.503 -9.598 1.627 1.00 1.54 C ATOM 1050 CD1 PHE A 71 -3.505 -9.573 2.579 1.00 52.52 C ATOM 1051 CD2 PHE A 71 -2.634 -8.803 0.503 1.00 1.21 C ATOM 1052 CE1 PHE A 71 -4.612 -8.772 2.411 1.00 24.44 C ATOM 1053 CE2 PHE A 71 -3.738 -8.003 0.332 1.00 1.11 C ATOM 1054 CZ PHE A 71 -4.728 -7.988 1.288 1.00 25.11 C ATOM 0 H PHE A 71 0.715 -8.926 0.891 1.00 74.32 H new ATOM 0 HA PHE A 71 -0.521 -9.441 3.501 1.00 5.13 H new ATOM 0 HB2 PHE A 71 -0.954 -10.801 0.824 1.00 41.13 H new ATOM 0 HB3 PHE A 71 -1.600 -11.374 2.349 1.00 41.13 H new ATOM 0 HD1 PHE A 71 -3.419 -10.188 3.463 1.00 52.52 H new ATOM 0 HD2 PHE A 71 -1.859 -8.811 -0.249 1.00 1.21 H new ATOM 0 HE1 PHE A 71 -5.389 -8.760 3.161 1.00 24.44 H new ATOM 0 HE2 PHE A 71 -3.829 -7.387 -0.551 1.00 1.11 H new ATOM 0 HZ PHE A 71 -5.597 -7.360 1.156 1.00 25.11 H new ATOM 1064 N THR A 72 0.705 -11.634 3.755 1.00 32.14 N ATOM 1065 CA THR A 72 1.602 -12.678 4.091 1.00 41.03 C ATOM 1066 C THR A 72 1.182 -13.930 3.321 1.00 71.13 C ATOM 1067 O THR A 72 0.071 -13.971 2.766 1.00 34.04 O ATOM 1068 CB THR A 72 1.529 -12.944 5.605 1.00 53.00 C ATOM 1069 OG1 THR A 72 0.167 -13.221 5.964 1.00 12.50 O ATOM 1070 CG2 THR A 72 2.012 -11.727 6.389 1.00 11.55 C ATOM 0 H THR A 72 -0.134 -11.604 4.334 1.00 32.14 H new ATOM 0 HA THR A 72 2.625 -12.405 3.831 1.00 41.03 H new ATOM 0 HB THR A 72 2.168 -13.794 5.845 1.00 53.00 H new ATOM 0 HG1 THR A 72 -0.313 -12.378 6.102 1.00 12.50 H new ATOM 0 HG21 THR A 72 1.953 -11.935 7.457 1.00 11.55 H new ATOM 0 HG22 THR A 72 3.045 -11.507 6.119 1.00 11.55 H new ATOM 0 HG23 THR A 72 1.384 -10.868 6.151 1.00 11.55 H new ATOM 1078 N ASN A 73 2.019 -14.949 3.312 1.00 15.04 N ATOM 1079 CA ASN A 73 1.686 -16.211 2.638 1.00 73.44 C ATOM 1080 C ASN A 73 0.580 -16.947 3.350 1.00 21.34 C ATOM 1081 O ASN A 73 -0.029 -17.861 2.810 1.00 54.03 O ATOM 1082 CB ASN A 73 2.899 -17.108 2.389 1.00 4.04 C ATOM 1083 CG ASN A 73 3.781 -16.565 1.288 1.00 14.51 C ATOM 1084 OD1 ASN A 73 4.704 -15.802 1.538 1.00 63.45 O ATOM 1085 ND2 ASN A 73 3.485 -16.931 0.059 1.00 74.22 N ATOM 0 H ASN A 73 2.935 -14.938 3.760 1.00 15.04 H new ATOM 0 HA ASN A 73 1.318 -15.934 1.650 1.00 73.44 H new ATOM 0 HB2 ASN A 73 3.479 -17.199 3.308 1.00 4.04 H new ATOM 0 HB3 ASN A 73 2.562 -18.110 2.124 1.00 4.04 H new ATOM 0 HD21 ASN A 73 4.033 -16.576 -0.725 1.00 74.22 H new ATOM 0 HD22 ASN A 73 2.708 -17.569 -0.110 1.00 74.22 H new ATOM 1092 N SER A 74 0.319 -16.541 4.573 1.00 0.32 N ATOM 1093 CA SER A 74 -0.757 -17.090 5.348 1.00 61.33 C ATOM 1094 C SER A 74 -2.091 -16.463 4.887 1.00 50.21 C ATOM 1095 O SER A 74 -3.172 -16.924 5.247 1.00 13.32 O ATOM 1096 CB SER A 74 -0.505 -16.754 6.811 1.00 5.03 C ATOM 1097 OG SER A 74 0.829 -17.102 7.173 1.00 13.35 O ATOM 0 H SER A 74 0.853 -15.817 5.054 1.00 0.32 H new ATOM 0 HA SER A 74 -0.812 -18.171 5.217 1.00 61.33 H new ATOM 0 HB2 SER A 74 -0.670 -15.690 6.981 1.00 5.03 H new ATOM 0 HB3 SER A 74 -1.213 -17.291 7.442 1.00 5.03 H new ATOM 0 HG SER A 74 0.981 -16.880 8.115 1.00 13.35 H new ATOM 1103 N GLY A 75 -2.000 -15.432 4.054 1.00 72.10 N ATOM 1104 CA GLY A 75 -3.182 -14.765 3.559 1.00 11.44 C ATOM 1105 C GLY A 75 -3.707 -13.785 4.565 1.00 2.01 C ATOM 1106 O GLY A 75 -4.879 -13.478 4.589 1.00 52.43 O ATOM 0 H GLY A 75 -1.120 -15.047 3.713 1.00 72.10 H new ATOM 0 HA2 GLY A 75 -2.949 -14.247 2.629 1.00 11.44 H new ATOM 0 HA3 GLY A 75 -3.951 -15.503 3.329 1.00 11.44 H new ATOM 1110 N GLN A 76 -2.822 -13.313 5.395 1.00 75.02 N ATOM 1111 CA GLN A 76 -3.160 -12.394 6.448 1.00 64.20 C ATOM 1112 C GLN A 76 -2.476 -11.070 6.156 1.00 14.14 C ATOM 1113 O GLN A 76 -1.392 -11.060 5.552 1.00 23.33 O ATOM 1114 CB GLN A 76 -2.644 -12.971 7.773 1.00 23.20 C ATOM 1115 CG GLN A 76 -2.983 -12.172 9.018 1.00 43.41 C ATOM 1116 CD GLN A 76 -2.326 -12.754 10.249 1.00 35.41 C ATOM 1117 OE1 GLN A 76 -1.206 -12.375 10.615 1.00 74.44 O ATOM 1118 NE2 GLN A 76 -2.980 -13.690 10.878 1.00 73.11 N ATOM 0 H GLN A 76 -1.832 -13.557 5.361 1.00 75.02 H new ATOM 0 HA GLN A 76 -4.238 -12.243 6.512 1.00 64.20 H new ATOM 0 HB2 GLN A 76 -3.045 -13.978 7.890 1.00 23.20 H new ATOM 0 HB3 GLN A 76 -1.560 -13.065 7.709 1.00 23.20 H new ATOM 0 HG2 GLN A 76 -2.661 -11.139 8.887 1.00 43.41 H new ATOM 0 HG3 GLN A 76 -4.064 -12.154 9.156 1.00 43.41 H new ATOM 0 HE21 GLN A 76 -3.901 -13.978 10.549 1.00 73.11 H new ATOM 0 HE22 GLN A 76 -2.570 -14.135 11.700 1.00 73.11 H new ATOM 1127 N VAL A 77 -3.096 -9.976 6.532 1.00 30.21 N ATOM 1128 CA VAL A 77 -2.480 -8.671 6.382 1.00 14.32 C ATOM 1129 C VAL A 77 -1.349 -8.599 7.394 1.00 54.31 C ATOM 1130 O VAL A 77 -1.516 -9.086 8.529 1.00 2.12 O ATOM 1131 CB VAL A 77 -3.491 -7.519 6.670 1.00 62.20 C ATOM 1132 CG1 VAL A 77 -2.865 -6.154 6.408 1.00 53.24 C ATOM 1133 CG2 VAL A 77 -4.764 -7.685 5.854 1.00 5.41 C ATOM 0 H VAL A 77 -4.028 -9.960 6.945 1.00 30.21 H new ATOM 0 HA VAL A 77 -2.127 -8.549 5.358 1.00 14.32 H new ATOM 0 HB VAL A 77 -3.754 -7.575 7.726 1.00 62.20 H new ATOM 0 HG11 VAL A 77 -3.595 -5.372 6.618 1.00 53.24 H new ATOM 0 HG12 VAL A 77 -1.997 -6.022 7.053 1.00 53.24 H new ATOM 0 HG13 VAL A 77 -2.555 -6.090 5.365 1.00 53.24 H new ATOM 0 HG21 VAL A 77 -5.448 -6.867 6.077 1.00 5.41 H new ATOM 0 HG22 VAL A 77 -4.519 -7.674 4.792 1.00 5.41 H new ATOM 0 HG23 VAL A 77 -5.238 -8.633 6.108 1.00 5.41 H new ATOM 1143 N VAL A 78 -0.201 -8.061 6.996 1.00 70.23 N ATOM 1144 CA VAL A 78 0.936 -7.963 7.905 1.00 2.54 C ATOM 1145 C VAL A 78 0.535 -7.097 9.098 1.00 32.40 C ATOM 1146 O VAL A 78 0.043 -5.992 8.918 1.00 14.40 O ATOM 1147 CB VAL A 78 2.187 -7.330 7.234 1.00 33.24 C ATOM 1148 CG1 VAL A 78 3.414 -7.475 8.126 1.00 43.33 C ATOM 1149 CG2 VAL A 78 2.446 -7.908 5.854 1.00 51.41 C ATOM 0 H VAL A 78 -0.033 -7.690 6.061 1.00 70.23 H new ATOM 0 HA VAL A 78 1.200 -8.975 8.211 1.00 2.54 H new ATOM 0 HB VAL A 78 1.981 -6.268 7.104 1.00 33.24 H new ATOM 0 HG11 VAL A 78 4.276 -7.024 7.635 1.00 43.33 H new ATOM 0 HG12 VAL A 78 3.234 -6.972 9.076 1.00 43.33 H new ATOM 0 HG13 VAL A 78 3.610 -8.532 8.306 1.00 43.33 H new ATOM 0 HG21 VAL A 78 3.329 -7.437 5.422 1.00 51.41 H new ATOM 0 HG22 VAL A 78 2.610 -8.983 5.935 1.00 51.41 H new ATOM 0 HG23 VAL A 78 1.585 -7.720 5.213 1.00 51.41 H new ATOM 1159 N LYS A 79 0.730 -7.606 10.294 1.00 25.42 N ATOM 1160 CA LYS A 79 0.343 -6.899 11.522 1.00 4.34 C ATOM 1161 C LYS A 79 0.944 -5.491 11.651 1.00 23.44 C ATOM 1162 O LYS A 79 0.315 -4.595 12.197 1.00 70.13 O ATOM 1163 CB LYS A 79 0.672 -7.723 12.755 1.00 23.15 C ATOM 1164 CG LYS A 79 2.122 -8.111 12.839 1.00 73.02 C ATOM 1165 CD LYS A 79 2.460 -8.769 14.167 1.00 53.53 C ATOM 1166 CE LYS A 79 1.664 -10.039 14.394 1.00 10.52 C ATOM 1167 NZ LYS A 79 1.922 -10.618 15.722 1.00 61.22 N ATOM 0 H LYS A 79 1.159 -8.517 10.456 1.00 25.42 H new ATOM 0 HA LYS A 79 -0.736 -6.766 11.448 1.00 4.34 H new ATOM 0 HB2 LYS A 79 0.402 -7.156 13.646 1.00 23.15 H new ATOM 0 HB3 LYS A 79 0.061 -8.625 12.755 1.00 23.15 H new ATOM 0 HG2 LYS A 79 2.362 -8.794 12.024 1.00 73.02 H new ATOM 0 HG3 LYS A 79 2.743 -7.225 12.705 1.00 73.02 H new ATOM 0 HD2 LYS A 79 3.525 -8.999 14.196 1.00 53.53 H new ATOM 0 HD3 LYS A 79 2.263 -8.068 14.979 1.00 53.53 H new ATOM 0 HE2 LYS A 79 0.600 -9.824 14.292 1.00 10.52 H new ATOM 0 HE3 LYS A 79 1.917 -10.768 13.625 1.00 10.52 H new ATOM 0 HZ1 LYS A 79 1.359 -11.485 15.838 1.00 61.22 H new ATOM 0 HZ2 LYS A 79 2.933 -10.847 15.810 1.00 61.22 H new ATOM 0 HZ3 LYS A 79 1.657 -9.932 16.457 1.00 61.22 H new ATOM 1181 N SER A 80 2.131 -5.296 11.125 1.00 14.15 N ATOM 1182 CA SER A 80 2.817 -4.025 11.240 1.00 44.24 C ATOM 1183 C SER A 80 2.379 -3.044 10.130 1.00 1.04 C ATOM 1184 O SER A 80 2.746 -1.864 10.140 1.00 24.51 O ATOM 1185 CB SER A 80 4.310 -4.300 11.151 1.00 12.14 C ATOM 1186 OG SER A 80 4.650 -5.392 12.002 1.00 32.33 O ATOM 0 H SER A 80 2.648 -6.007 10.608 1.00 14.15 H new ATOM 0 HA SER A 80 2.567 -3.555 12.191 1.00 44.24 H new ATOM 0 HB2 SER A 80 4.586 -4.529 10.122 1.00 12.14 H new ATOM 0 HB3 SER A 80 4.871 -3.412 11.442 1.00 12.14 H new ATOM 0 HG SER A 80 5.612 -5.567 11.941 1.00 32.33 H new ATOM 1192 N LEU A 81 1.579 -3.536 9.199 1.00 12.21 N ATOM 1193 CA LEU A 81 1.146 -2.763 8.049 1.00 40.42 C ATOM 1194 C LEU A 81 0.227 -1.568 8.442 1.00 55.42 C ATOM 1195 O LEU A 81 0.492 -0.441 8.018 1.00 73.11 O ATOM 1196 CB LEU A 81 0.540 -3.699 6.991 1.00 62.30 C ATOM 1197 CG LEU A 81 0.294 -3.172 5.584 1.00 5.11 C ATOM 1198 CD1 LEU A 81 0.147 -4.354 4.675 1.00 52.31 C ATOM 1199 CD2 LEU A 81 -0.971 -2.329 5.507 1.00 5.12 C ATOM 0 H LEU A 81 1.211 -4.487 9.220 1.00 12.21 H new ATOM 0 HA LEU A 81 2.017 -2.288 7.597 1.00 40.42 H new ATOM 0 HB2 LEU A 81 1.195 -4.566 6.906 1.00 62.30 H new ATOM 0 HB3 LEU A 81 -0.414 -4.057 7.378 1.00 62.30 H new ATOM 0 HG LEU A 81 1.131 -2.538 5.293 1.00 5.11 H new ATOM 0 HD11 LEU A 81 -0.031 -4.010 3.656 1.00 52.31 H new ATOM 0 HD12 LEU A 81 1.059 -4.950 4.703 1.00 52.31 H new ATOM 0 HD13 LEU A 81 -0.695 -4.964 5.004 1.00 52.31 H new ATOM 0 HD21 LEU A 81 -1.109 -1.973 4.486 1.00 5.12 H new ATOM 0 HD22 LEU A 81 -1.829 -2.934 5.800 1.00 5.12 H new ATOM 0 HD23 LEU A 81 -0.881 -1.476 6.180 1.00 5.12 H new ATOM 1211 N PRO A 82 -0.861 -1.768 9.271 1.00 33.33 N ATOM 1212 CA PRO A 82 -1.708 -0.646 9.717 1.00 62.55 C ATOM 1213 C PRO A 82 -0.877 0.434 10.427 1.00 22.31 C ATOM 1214 O PRO A 82 -1.173 1.625 10.326 1.00 34.34 O ATOM 1215 CB PRO A 82 -2.686 -1.296 10.707 1.00 22.21 C ATOM 1216 CG PRO A 82 -2.757 -2.715 10.279 1.00 60.14 C ATOM 1217 CD PRO A 82 -1.385 -3.062 9.786 1.00 35.23 C ATOM 0 HA PRO A 82 -2.204 -0.148 8.884 1.00 62.55 H new ATOM 0 HB2 PRO A 82 -2.329 -1.208 11.733 1.00 22.21 H new ATOM 0 HB3 PRO A 82 -3.666 -0.820 10.668 1.00 22.21 H new ATOM 0 HG2 PRO A 82 -3.049 -3.359 11.108 1.00 60.14 H new ATOM 0 HG3 PRO A 82 -3.500 -2.850 9.493 1.00 60.14 H new ATOM 0 HD2 PRO A 82 -0.760 -3.458 10.586 1.00 35.23 H new ATOM 0 HD3 PRO A 82 -1.420 -3.820 9.004 1.00 35.23 H new ATOM 1225 N GLY A 83 0.192 0.000 11.095 1.00 31.24 N ATOM 1226 CA GLY A 83 1.077 0.895 11.820 1.00 53.24 C ATOM 1227 C GLY A 83 1.758 1.904 10.915 1.00 0.35 C ATOM 1228 O GLY A 83 1.833 3.105 11.252 1.00 53.43 O ATOM 0 H GLY A 83 0.464 -0.982 11.145 1.00 31.24 H new ATOM 0 HA2 GLY A 83 0.506 1.424 12.583 1.00 53.24 H new ATOM 0 HA3 GLY A 83 1.835 0.308 12.339 1.00 53.24 H new ATOM 1232 N LEU A 84 2.229 1.444 9.756 1.00 74.10 N ATOM 1233 CA LEU A 84 2.883 2.327 8.800 1.00 74.45 C ATOM 1234 C LEU A 84 1.859 3.298 8.229 1.00 51.45 C ATOM 1235 O LEU A 84 2.131 4.486 8.052 1.00 43.23 O ATOM 1236 CB LEU A 84 3.650 1.539 7.690 1.00 2.25 C ATOM 1237 CG LEU A 84 2.831 0.793 6.617 1.00 52.11 C ATOM 1238 CD1 LEU A 84 2.483 1.696 5.436 1.00 14.34 C ATOM 1239 CD2 LEU A 84 3.548 -0.455 6.150 1.00 23.03 C ATOM 0 H LEU A 84 2.169 0.470 9.461 1.00 74.10 H new ATOM 0 HA LEU A 84 3.649 2.901 9.321 1.00 74.45 H new ATOM 0 HB2 LEU A 84 4.305 2.243 7.177 1.00 2.25 H new ATOM 0 HB3 LEU A 84 4.291 0.809 8.185 1.00 2.25 H new ATOM 0 HG LEU A 84 1.893 0.491 7.083 1.00 52.11 H new ATOM 0 HD11 LEU A 84 1.906 1.131 4.704 1.00 14.34 H new ATOM 0 HD12 LEU A 84 1.894 2.543 5.787 1.00 14.34 H new ATOM 0 HD13 LEU A 84 3.400 2.059 4.973 1.00 14.34 H new ATOM 0 HD21 LEU A 84 2.946 -0.959 5.394 1.00 23.03 H new ATOM 0 HD22 LEU A 84 4.513 -0.182 5.723 1.00 23.03 H new ATOM 0 HD23 LEU A 84 3.702 -1.124 6.996 1.00 23.03 H new ATOM 1251 N LEU A 85 0.663 2.786 7.968 1.00 65.01 N ATOM 1252 CA LEU A 85 -0.414 3.603 7.448 1.00 73.14 C ATOM 1253 C LEU A 85 -0.803 4.672 8.451 1.00 20.40 C ATOM 1254 O LEU A 85 -1.083 5.796 8.076 1.00 71.32 O ATOM 1255 CB LEU A 85 -1.632 2.752 7.085 1.00 13.24 C ATOM 1256 CG LEU A 85 -1.442 1.741 5.956 1.00 62.12 C ATOM 1257 CD1 LEU A 85 -2.707 0.936 5.761 1.00 72.42 C ATOM 1258 CD2 LEU A 85 -1.067 2.444 4.658 1.00 63.50 C ATOM 0 H LEU A 85 0.419 1.806 8.110 1.00 65.01 H new ATOM 0 HA LEU A 85 -0.055 4.085 6.539 1.00 73.14 H new ATOM 0 HB2 LEU A 85 -1.950 2.212 7.977 1.00 13.24 H new ATOM 0 HB3 LEU A 85 -2.447 3.422 6.810 1.00 13.24 H new ATOM 0 HG LEU A 85 -0.629 1.069 6.231 1.00 62.12 H new ATOM 0 HD11 LEU A 85 -2.561 0.218 4.954 1.00 72.42 H new ATOM 0 HD12 LEU A 85 -2.945 0.403 6.682 1.00 72.42 H new ATOM 0 HD13 LEU A 85 -3.529 1.605 5.507 1.00 72.42 H new ATOM 0 HD21 LEU A 85 -0.937 1.704 3.868 1.00 63.50 H new ATOM 0 HD22 LEU A 85 -1.859 3.138 4.378 1.00 63.50 H new ATOM 0 HD23 LEU A 85 -0.136 2.993 4.798 1.00 63.50 H new ATOM 1270 N THR A 86 -0.754 4.316 9.732 1.00 32.44 N ATOM 1271 CA THR A 86 -1.114 5.242 10.809 1.00 14.43 C ATOM 1272 C THR A 86 -0.211 6.485 10.770 1.00 61.43 C ATOM 1273 O THR A 86 -0.695 7.617 10.739 1.00 22.21 O ATOM 1274 CB THR A 86 -0.976 4.571 12.213 1.00 60.32 C ATOM 1275 OG1 THR A 86 -1.712 3.337 12.260 1.00 34.10 O ATOM 1276 CG2 THR A 86 -1.491 5.490 13.315 1.00 23.34 C ATOM 0 H THR A 86 -0.468 3.391 10.053 1.00 32.44 H new ATOM 0 HA THR A 86 -2.154 5.527 10.653 1.00 14.43 H new ATOM 0 HB THR A 86 0.084 4.374 12.375 1.00 60.32 H new ATOM 0 HG1 THR A 86 -1.263 2.667 11.703 1.00 34.10 H new ATOM 0 HG21 THR A 86 -1.382 4.996 14.281 1.00 23.34 H new ATOM 0 HG22 THR A 86 -0.917 6.416 13.314 1.00 23.34 H new ATOM 0 HG23 THR A 86 -2.543 5.715 13.139 1.00 23.34 H new ATOM 1284 N ILE A 87 1.091 6.258 10.708 1.00 15.24 N ATOM 1285 CA ILE A 87 2.047 7.348 10.738 1.00 43.34 C ATOM 1286 C ILE A 87 1.971 8.206 9.448 1.00 63.43 C ATOM 1287 O ILE A 87 1.952 9.437 9.508 1.00 2.52 O ATOM 1288 CB ILE A 87 3.511 6.829 11.118 1.00 51.42 C ATOM 1289 CG1 ILE A 87 4.570 7.956 11.274 1.00 1.34 C ATOM 1290 CG2 ILE A 87 4.010 5.729 10.198 1.00 62.10 C ATOM 1291 CD1 ILE A 87 5.077 8.565 9.989 1.00 2.32 C ATOM 0 H ILE A 87 1.508 5.330 10.637 1.00 15.24 H new ATOM 0 HA ILE A 87 1.776 8.032 11.542 1.00 43.34 H new ATOM 0 HB ILE A 87 3.385 6.395 12.110 1.00 51.42 H new ATOM 0 HG12 ILE A 87 4.141 8.750 11.885 1.00 1.34 H new ATOM 0 HG13 ILE A 87 5.421 7.555 11.824 1.00 1.34 H new ATOM 0 HG21 ILE A 87 5.008 5.420 10.508 1.00 62.10 H new ATOM 0 HG22 ILE A 87 3.333 4.876 10.251 1.00 62.10 H new ATOM 0 HG23 ILE A 87 4.047 6.100 9.174 1.00 62.10 H new ATOM 0 HD11 ILE A 87 5.810 9.339 10.217 1.00 2.32 H new ATOM 0 HD12 ILE A 87 5.544 7.792 9.379 1.00 2.32 H new ATOM 0 HD13 ILE A 87 4.244 9.005 9.441 1.00 2.32 H new ATOM 1303 N LEU A 88 1.888 7.562 8.298 1.00 14.31 N ATOM 1304 CA LEU A 88 1.792 8.290 7.034 1.00 41.25 C ATOM 1305 C LEU A 88 0.484 9.048 6.884 1.00 32.02 C ATOM 1306 O LEU A 88 0.470 10.151 6.335 1.00 0.43 O ATOM 1307 CB LEU A 88 2.035 7.404 5.822 1.00 21.14 C ATOM 1308 CG LEU A 88 3.493 7.108 5.417 1.00 62.32 C ATOM 1309 CD1 LEU A 88 4.236 8.377 5.037 1.00 71.20 C ATOM 1310 CD2 LEU A 88 4.228 6.387 6.498 1.00 23.45 C ATOM 0 H LEU A 88 1.885 6.546 8.207 1.00 14.31 H new ATOM 0 HA LEU A 88 2.596 9.025 7.073 1.00 41.25 H new ATOM 0 HB2 LEU A 88 1.539 6.450 6.002 1.00 21.14 H new ATOM 0 HB3 LEU A 88 1.539 7.865 4.968 1.00 21.14 H new ATOM 0 HG LEU A 88 3.450 6.461 4.541 1.00 62.32 H new ATOM 0 HD11 LEU A 88 5.260 8.129 4.757 1.00 71.20 H new ATOM 0 HD12 LEU A 88 3.735 8.853 4.194 1.00 71.20 H new ATOM 0 HD13 LEU A 88 4.247 9.060 5.886 1.00 71.20 H new ATOM 0 HD21 LEU A 88 5.252 6.196 6.177 1.00 23.45 H new ATOM 0 HD22 LEU A 88 4.239 6.998 7.400 1.00 23.45 H new ATOM 0 HD23 LEU A 88 3.730 5.440 6.707 1.00 23.45 H new ATOM 1322 N HIS A 89 -0.608 8.481 7.374 1.00 33.24 N ATOM 1323 CA HIS A 89 -1.903 9.148 7.273 1.00 51.14 C ATOM 1324 C HIS A 89 -1.923 10.346 8.202 1.00 24.43 C ATOM 1325 O HIS A 89 -2.524 11.382 7.892 1.00 54.02 O ATOM 1326 CB HIS A 89 -3.078 8.204 7.581 1.00 55.44 C ATOM 1327 CG HIS A 89 -4.426 8.833 7.335 1.00 43.34 C ATOM 1328 ND1 HIS A 89 -5.251 9.313 8.328 1.00 34.01 N ATOM 1329 CD2 HIS A 89 -5.070 9.068 6.169 1.00 74.41 C ATOM 1330 CE1 HIS A 89 -6.344 9.823 7.749 1.00 15.54 C ATOM 1331 NE2 HIS A 89 -6.285 9.695 6.430 1.00 34.10 N ATOM 0 H HIS A 89 -0.628 7.574 7.840 1.00 33.24 H new ATOM 0 HA HIS A 89 -2.032 9.476 6.241 1.00 51.14 H new ATOM 0 HB2 HIS A 89 -2.985 7.307 6.968 1.00 55.44 H new ATOM 0 HB3 HIS A 89 -3.017 7.886 8.622 1.00 55.44 H new ATOM 0 HD2 HIS A 89 -4.699 8.809 5.188 1.00 74.41 H new ATOM 0 HE1 HIS A 89 -7.165 10.278 8.284 1.00 15.54 H new ATOM 0 HE2 HIS A 89 -6.984 9.994 5.749 1.00 34.10 H new ATOM 1339 N ASP A 90 -1.236 10.211 9.329 1.00 61.33 N ATOM 1340 CA ASP A 90 -1.087 11.306 10.284 1.00 12.02 C ATOM 1341 C ASP A 90 -0.310 12.436 9.637 1.00 51.15 C ATOM 1342 O ASP A 90 -0.586 13.612 9.876 1.00 1.12 O ATOM 1343 CB ASP A 90 -0.336 10.818 11.534 1.00 64.04 C ATOM 1344 CG ASP A 90 -0.080 11.910 12.557 1.00 42.50 C ATOM 1345 OD1 ASP A 90 -0.966 12.167 13.399 1.00 74.23 O ATOM 1346 OD2 ASP A 90 1.018 12.505 12.556 1.00 32.55 O ATOM 0 H ASP A 90 -0.769 9.348 9.607 1.00 61.33 H new ATOM 0 HA ASP A 90 -2.075 11.660 10.578 1.00 12.02 H new ATOM 0 HB2 ASP A 90 -0.911 10.020 12.004 1.00 64.04 H new ATOM 0 HB3 ASP A 90 0.618 10.387 11.229 1.00 64.04 H new ATOM 1351 N GLY A 91 0.593 12.065 8.741 1.00 1.31 N ATOM 1352 CA GLY A 91 1.404 13.031 8.026 1.00 65.33 C ATOM 1353 C GLY A 91 0.709 13.579 6.789 1.00 50.42 C ATOM 1354 O GLY A 91 1.188 14.529 6.177 1.00 62.40 O ATOM 0 H GLY A 91 0.781 11.094 8.493 1.00 1.31 H new ATOM 0 HA2 GLY A 91 1.652 13.856 8.694 1.00 65.33 H new ATOM 0 HA3 GLY A 91 2.344 12.564 7.733 1.00 65.33 H new ATOM 1358 N GLY A 92 -0.414 12.984 6.430 1.00 21.03 N ATOM 1359 CA GLY A 92 -1.173 13.443 5.284 1.00 11.32 C ATOM 1360 C GLY A 92 -0.648 12.906 3.960 1.00 33.23 C ATOM 1361 O GLY A 92 -0.704 13.593 2.937 1.00 71.44 O ATOM 0 H GLY A 92 -0.819 12.183 6.915 1.00 21.03 H new ATOM 0 HA2 GLY A 92 -2.214 13.143 5.403 1.00 11.32 H new ATOM 0 HA3 GLY A 92 -1.156 14.533 5.259 1.00 11.32 H new ATOM 1365 N TYR A 93 -0.130 11.695 3.974 1.00 61.21 N ATOM 1366 CA TYR A 93 0.373 11.060 2.767 1.00 3.34 C ATOM 1367 C TYR A 93 -0.642 10.087 2.206 1.00 51.53 C ATOM 1368 O TYR A 93 -1.268 9.332 2.949 1.00 21.21 O ATOM 1369 CB TYR A 93 1.704 10.349 3.016 1.00 22.50 C ATOM 1370 CG TYR A 93 2.891 11.274 3.200 1.00 54.00 C ATOM 1371 CD1 TYR A 93 3.165 11.876 4.421 1.00 61.15 C ATOM 1372 CD2 TYR A 93 3.748 11.529 2.143 1.00 44.14 C ATOM 1373 CE1 TYR A 93 4.261 12.706 4.573 1.00 23.13 C ATOM 1374 CE2 TYR A 93 4.844 12.347 2.288 1.00 14.54 C ATOM 1375 CZ TYR A 93 5.099 12.936 3.500 1.00 2.12 C ATOM 1376 OH TYR A 93 6.220 13.741 3.645 1.00 53.13 O ATOM 0 H TYR A 93 -0.045 11.124 4.815 1.00 61.21 H new ATOM 0 HA TYR A 93 0.545 11.849 2.035 1.00 3.34 H new ATOM 0 HB2 TYR A 93 1.606 9.724 3.904 1.00 22.50 H new ATOM 0 HB3 TYR A 93 1.907 9.682 2.178 1.00 22.50 H new ATOM 0 HD1 TYR A 93 2.514 11.694 5.263 1.00 61.15 H new ATOM 0 HD2 TYR A 93 3.551 11.075 1.183 1.00 44.14 H new ATOM 0 HE1 TYR A 93 4.460 13.172 5.527 1.00 23.13 H new ATOM 0 HE2 TYR A 93 5.502 12.525 1.450 1.00 14.54 H new ATOM 0 HH TYR A 93 6.901 13.263 4.163 1.00 53.13 H new ATOM 1386 N ARG A 94 -0.808 10.118 0.905 1.00 44.03 N ATOM 1387 CA ARG A 94 -1.752 9.256 0.225 1.00 32.32 C ATOM 1388 C ARG A 94 -1.128 7.912 -0.168 1.00 24.33 C ATOM 1389 O ARG A 94 0.082 7.721 -0.046 1.00 3.01 O ATOM 1390 CB ARG A 94 -2.407 9.919 -0.981 1.00 54.44 C ATOM 1391 CG ARG A 94 -1.530 10.084 -2.207 1.00 15.25 C ATOM 1392 CD ARG A 94 -2.389 10.495 -3.378 1.00 60.13 C ATOM 1393 NE ARG A 94 -3.480 9.525 -3.559 1.00 71.21 N ATOM 1394 CZ ARG A 94 -4.749 9.800 -3.806 1.00 34.22 C ATOM 1395 NH1 ARG A 94 -5.154 11.042 -4.000 1.00 25.00 N ATOM 1396 NH2 ARG A 94 -5.618 8.812 -3.820 1.00 2.14 N ATOM 0 H ARG A 94 -0.292 10.742 0.285 1.00 44.03 H new ATOM 0 HA ARG A 94 -2.542 9.063 0.951 1.00 32.32 H new ATOM 0 HB2 ARG A 94 -3.283 9.334 -1.261 1.00 54.44 H new ATOM 0 HB3 ARG A 94 -2.765 10.903 -0.680 1.00 54.44 H new ATOM 0 HG2 ARG A 94 -0.763 10.836 -2.022 1.00 15.25 H new ATOM 0 HG3 ARG A 94 -1.014 9.150 -2.429 1.00 15.25 H new ATOM 0 HD2 ARG A 94 -2.799 11.490 -3.208 1.00 60.13 H new ATOM 0 HD3 ARG A 94 -1.784 10.549 -4.283 1.00 60.13 H new ATOM 0 HE ARG A 94 -3.232 8.538 -3.486 1.00 71.21 H new ATOM 0 HH11 ARG A 94 -4.483 11.809 -3.960 1.00 25.00 H new ATOM 0 HH12 ARG A 94 -6.138 11.234 -4.189 1.00 25.00 H new ATOM 0 HH21 ARG A 94 -5.307 7.857 -3.642 1.00 2.14 H new ATOM 0 HH22 ARG A 94 -6.602 9.001 -4.008 1.00 2.14 H new ATOM 1410 N ASP A 95 -1.973 7.026 -0.685 1.00 11.02 N ATOM 1411 CA ASP A 95 -1.662 5.620 -1.046 1.00 2.53 C ATOM 1412 C ASP A 95 -0.456 5.525 -1.957 1.00 32.11 C ATOM 1413 O ASP A 95 0.428 4.677 -1.751 1.00 42.05 O ATOM 1414 CB ASP A 95 -2.883 5.014 -1.798 1.00 12.43 C ATOM 1415 CG ASP A 95 -3.217 5.778 -3.091 1.00 63.15 C ATOM 1416 OD1 ASP A 95 -3.579 6.963 -3.002 1.00 64.43 O ATOM 1417 OD2 ASP A 95 -3.050 5.246 -4.199 1.00 52.34 O ATOM 0 H ASP A 95 -2.945 7.267 -0.879 1.00 11.02 H new ATOM 0 HA ASP A 95 -1.446 5.078 -0.125 1.00 2.53 H new ATOM 0 HB2 ASP A 95 -2.676 3.971 -2.039 1.00 12.43 H new ATOM 0 HB3 ASP A 95 -3.752 5.023 -1.140 1.00 12.43 H new ATOM 1422 N THR A 96 -0.398 6.406 -2.913 1.00 22.30 N ATOM 1423 CA THR A 96 0.652 6.439 -3.862 1.00 63.53 C ATOM 1424 C THR A 96 1.978 6.749 -3.169 1.00 32.11 C ATOM 1425 O THR A 96 2.992 6.114 -3.436 1.00 63.51 O ATOM 1426 CB THR A 96 0.325 7.478 -4.920 1.00 34.35 C ATOM 1427 OG1 THR A 96 -1.031 7.236 -5.391 1.00 2.52 O ATOM 1428 CG2 THR A 96 1.312 7.387 -6.073 1.00 33.21 C ATOM 0 H THR A 96 -1.100 7.133 -3.049 1.00 22.30 H new ATOM 0 HA THR A 96 0.752 5.466 -4.343 1.00 63.53 H new ATOM 0 HB THR A 96 0.399 8.480 -4.496 1.00 34.35 H new ATOM 0 HG1 THR A 96 -1.379 8.047 -5.816 1.00 2.52 H new ATOM 0 HG21 THR A 96 1.065 8.138 -6.824 1.00 33.21 H new ATOM 0 HG22 THR A 96 2.322 7.563 -5.702 1.00 33.21 H new ATOM 0 HG23 THR A 96 1.258 6.395 -6.521 1.00 33.21 H new ATOM 1436 N GLU A 97 1.943 7.684 -2.234 1.00 70.44 N ATOM 1437 CA GLU A 97 3.132 8.046 -1.499 1.00 22.12 C ATOM 1438 C GLU A 97 3.586 6.890 -0.626 1.00 64.12 C ATOM 1439 O GLU A 97 4.774 6.634 -0.517 1.00 51.44 O ATOM 1440 CB GLU A 97 2.925 9.288 -0.640 1.00 75.43 C ATOM 1441 CG GLU A 97 2.614 10.555 -1.416 1.00 41.14 C ATOM 1442 CD GLU A 97 3.684 10.908 -2.429 1.00 20.02 C ATOM 1443 OE1 GLU A 97 4.824 11.245 -2.036 1.00 33.43 O ATOM 1444 OE2 GLU A 97 3.396 10.861 -3.634 1.00 61.31 O ATOM 0 H GLU A 97 1.105 8.202 -1.970 1.00 70.44 H new ATOM 0 HA GLU A 97 3.903 8.276 -2.234 1.00 22.12 H new ATOM 0 HB2 GLU A 97 2.110 9.098 0.059 1.00 75.43 H new ATOM 0 HB3 GLU A 97 3.823 9.455 -0.045 1.00 75.43 H new ATOM 0 HG2 GLU A 97 1.661 10.434 -1.930 1.00 41.14 H new ATOM 0 HG3 GLU A 97 2.497 11.383 -0.717 1.00 41.14 H new ATOM 1451 N ILE A 98 2.622 6.160 -0.054 1.00 21.20 N ATOM 1452 CA ILE A 98 2.934 5.059 0.857 1.00 12.43 C ATOM 1453 C ILE A 98 3.739 4.009 0.118 1.00 73.51 C ATOM 1454 O ILE A 98 4.797 3.582 0.557 1.00 64.14 O ATOM 1455 CB ILE A 98 1.651 4.326 1.365 1.00 73.24 C ATOM 1456 CG1 ILE A 98 0.570 5.279 1.878 1.00 74.40 C ATOM 1457 CG2 ILE A 98 2.004 3.322 2.437 1.00 22.43 C ATOM 1458 CD1 ILE A 98 1.029 6.262 2.910 1.00 44.25 C ATOM 0 H ILE A 98 1.625 6.312 -0.206 1.00 21.20 H new ATOM 0 HA ILE A 98 3.473 5.497 1.697 1.00 12.43 H new ATOM 0 HB ILE A 98 1.233 3.812 0.500 1.00 73.24 H new ATOM 0 HG12 ILE A 98 0.161 5.829 1.031 1.00 74.40 H new ATOM 0 HG13 ILE A 98 -0.244 4.688 2.298 1.00 74.40 H new ATOM 0 HG21 ILE A 98 1.098 2.821 2.779 1.00 22.43 H new ATOM 0 HG22 ILE A 98 2.695 2.584 2.031 1.00 22.43 H new ATOM 0 HG23 ILE A 98 2.473 3.836 3.276 1.00 22.43 H new ATOM 0 HD11 ILE A 98 0.192 6.892 3.210 1.00 44.25 H new ATOM 0 HD12 ILE A 98 1.409 5.726 3.779 1.00 44.25 H new ATOM 0 HD13 ILE A 98 1.820 6.885 2.493 1.00 44.25 H new ATOM 1470 N MET A 99 3.247 3.646 -1.034 1.00 65.15 N ATOM 1471 CA MET A 99 3.874 2.626 -1.828 1.00 52.40 C ATOM 1472 C MET A 99 5.132 3.128 -2.520 1.00 21.24 C ATOM 1473 O MET A 99 5.993 2.342 -2.900 1.00 3.44 O ATOM 1474 CB MET A 99 2.882 2.012 -2.804 1.00 51.10 C ATOM 1475 CG MET A 99 1.672 1.426 -2.105 1.00 34.13 C ATOM 1476 SD MET A 99 0.570 0.545 -3.204 1.00 61.02 S ATOM 1477 CE MET A 99 -0.797 0.242 -2.090 1.00 34.50 C ATOM 0 H MET A 99 2.405 4.046 -1.447 1.00 65.15 H new ATOM 0 HA MET A 99 4.199 1.835 -1.152 1.00 52.40 H new ATOM 0 HB2 MET A 99 2.556 2.773 -3.513 1.00 51.10 H new ATOM 0 HB3 MET A 99 3.379 1.231 -3.380 1.00 51.10 H new ATOM 0 HG2 MET A 99 2.008 0.748 -1.321 1.00 34.13 H new ATOM 0 HG3 MET A 99 1.120 2.229 -1.617 1.00 34.13 H new ATOM 0 HE1 MET A 99 -1.697 0.030 -2.667 1.00 34.50 H new ATOM 0 HE2 MET A 99 -0.565 -0.612 -1.453 1.00 34.50 H new ATOM 0 HE3 MET A 99 -0.963 1.123 -1.470 1.00 34.50 H new ATOM 1487 N ARG A 100 5.250 4.444 -2.634 1.00 62.14 N ATOM 1488 CA ARG A 100 6.365 5.091 -3.304 1.00 54.14 C ATOM 1489 C ARG A 100 7.699 4.673 -2.680 1.00 3.15 C ATOM 1490 O ARG A 100 8.528 4.045 -3.333 1.00 41.34 O ATOM 1491 CB ARG A 100 6.173 6.593 -3.222 1.00 62.11 C ATOM 1492 CG ARG A 100 7.197 7.415 -3.932 1.00 52.21 C ATOM 1493 CD ARG A 100 6.892 8.874 -3.729 1.00 13.45 C ATOM 1494 NE ARG A 100 7.827 9.712 -4.445 1.00 54.12 N ATOM 1495 CZ ARG A 100 7.816 11.036 -4.446 1.00 34.32 C ATOM 1496 NH1 ARG A 100 6.903 11.708 -3.751 1.00 24.24 N ATOM 1497 NH2 ARG A 100 8.717 11.686 -5.156 1.00 41.20 N ATOM 0 H ARG A 100 4.564 5.099 -2.258 1.00 62.14 H new ATOM 0 HA ARG A 100 6.391 4.783 -4.349 1.00 54.14 H new ATOM 0 HB2 ARG A 100 5.192 6.838 -3.628 1.00 62.11 H new ATOM 0 HB3 ARG A 100 6.165 6.883 -2.171 1.00 62.11 H new ATOM 0 HG2 ARG A 100 8.192 7.184 -3.553 1.00 52.21 H new ATOM 0 HG3 ARG A 100 7.198 7.176 -4.996 1.00 52.21 H new ATOM 0 HD2 ARG A 100 5.878 9.086 -4.068 1.00 13.45 H new ATOM 0 HD3 ARG A 100 6.929 9.111 -2.666 1.00 13.45 H new ATOM 0 HE ARG A 100 8.552 9.247 -4.992 1.00 54.12 H new ATOM 0 HH11 ARG A 100 6.201 11.204 -3.209 1.00 24.24 H new ATOM 0 HH12 ARG A 100 6.905 12.728 -3.759 1.00 24.24 H new ATOM 0 HH21 ARG A 100 9.411 11.169 -5.696 1.00 41.20 H new ATOM 0 HH22 ARG A 100 8.720 12.706 -5.166 1.00 41.20 H new ATOM 1511 N TRP A 101 7.891 4.998 -1.422 1.00 15.25 N ATOM 1512 CA TRP A 101 9.109 4.614 -0.713 1.00 21.43 C ATOM 1513 C TRP A 101 9.177 3.106 -0.476 1.00 23.45 C ATOM 1514 O TRP A 101 10.247 2.501 -0.524 1.00 31.21 O ATOM 1515 CB TRP A 101 9.276 5.407 0.607 1.00 24.10 C ATOM 1516 CG TRP A 101 8.028 5.508 1.451 1.00 41.23 C ATOM 1517 CD1 TRP A 101 7.144 6.541 1.444 1.00 1.51 C ATOM 1518 CD2 TRP A 101 7.531 4.564 2.424 1.00 52.15 C ATOM 1519 NE1 TRP A 101 6.128 6.305 2.326 1.00 23.14 N ATOM 1520 CE2 TRP A 101 6.343 5.102 2.946 1.00 3.14 C ATOM 1521 CE3 TRP A 101 7.967 3.319 2.903 1.00 23.11 C ATOM 1522 CZ2 TRP A 101 5.593 4.446 3.913 1.00 63.22 C ATOM 1523 CZ3 TRP A 101 7.219 2.675 3.862 1.00 33.45 C ATOM 1524 CH2 TRP A 101 6.047 3.239 4.360 1.00 35.42 C ATOM 0 H TRP A 101 7.224 5.528 -0.861 1.00 15.25 H new ATOM 0 HA TRP A 101 9.949 4.875 -1.356 1.00 21.43 H new ATOM 0 HB2 TRP A 101 10.061 4.936 1.200 1.00 24.10 H new ATOM 0 HB3 TRP A 101 9.618 6.414 0.368 1.00 24.10 H new ATOM 0 HD1 TRP A 101 7.233 7.424 0.828 1.00 1.51 H new ATOM 0 HE1 TRP A 101 5.336 6.925 2.496 1.00 23.14 H new ATOM 0 HE3 TRP A 101 8.875 2.873 2.525 1.00 23.11 H new ATOM 0 HZ2 TRP A 101 4.681 4.877 4.299 1.00 63.22 H new ATOM 0 HZ3 TRP A 101 7.546 1.716 4.235 1.00 33.45 H new ATOM 0 HH2 TRP A 101 5.486 2.710 5.116 1.00 35.42 H new ATOM 1535 N LEU A 102 8.021 2.521 -0.291 1.00 11.31 N ATOM 1536 CA LEU A 102 7.864 1.126 0.076 1.00 12.11 C ATOM 1537 C LEU A 102 8.356 0.173 -1.021 1.00 64.25 C ATOM 1538 O LEU A 102 8.953 -0.867 -0.734 1.00 43.54 O ATOM 1539 CB LEU A 102 6.391 0.899 0.383 1.00 62.14 C ATOM 1540 CG LEU A 102 5.964 -0.418 1.016 1.00 53.24 C ATOM 1541 CD1 LEU A 102 6.784 -0.725 2.257 1.00 12.44 C ATOM 1542 CD2 LEU A 102 4.512 -0.323 1.394 1.00 31.10 C ATOM 0 H LEU A 102 7.133 3.012 -0.393 1.00 11.31 H new ATOM 0 HA LEU A 102 8.479 0.908 0.949 1.00 12.11 H new ATOM 0 HB2 LEU A 102 6.065 1.703 1.043 1.00 62.14 H new ATOM 0 HB3 LEU A 102 5.839 1.010 -0.551 1.00 62.14 H new ATOM 0 HG LEU A 102 6.125 -1.220 0.295 1.00 53.24 H new ATOM 0 HD11 LEU A 102 6.455 -1.672 2.686 1.00 12.44 H new ATOM 0 HD12 LEU A 102 7.838 -0.795 1.988 1.00 12.44 H new ATOM 0 HD13 LEU A 102 6.648 0.071 2.989 1.00 12.44 H new ATOM 0 HD21 LEU A 102 4.192 -1.260 1.849 1.00 31.10 H new ATOM 0 HD22 LEU A 102 4.374 0.491 2.105 1.00 31.10 H new ATOM 0 HD23 LEU A 102 3.916 -0.131 0.502 1.00 31.10 H new ATOM 1554 N PHE A 103 8.117 0.525 -2.258 1.00 64.21 N ATOM 1555 CA PHE A 103 8.515 -0.319 -3.367 1.00 42.34 C ATOM 1556 C PHE A 103 9.876 0.038 -3.933 1.00 32.04 C ATOM 1557 O PHE A 103 10.372 -0.660 -4.824 1.00 75.51 O ATOM 1558 CB PHE A 103 7.464 -0.319 -4.469 1.00 33.20 C ATOM 1559 CG PHE A 103 6.240 -1.120 -4.145 1.00 61.13 C ATOM 1560 CD1 PHE A 103 5.249 -0.619 -3.320 1.00 11.14 C ATOM 1561 CD2 PHE A 103 6.081 -2.382 -4.676 1.00 1.30 C ATOM 1562 CE1 PHE A 103 4.125 -1.360 -3.042 1.00 5.25 C ATOM 1563 CE2 PHE A 103 4.961 -3.125 -4.404 1.00 3.42 C ATOM 1564 CZ PHE A 103 3.981 -2.613 -3.587 1.00 54.03 C ATOM 0 H PHE A 103 7.649 1.390 -2.528 1.00 64.21 H new ATOM 0 HA PHE A 103 8.598 -1.326 -2.958 1.00 42.34 H new ATOM 0 HB2 PHE A 103 7.168 0.710 -4.675 1.00 33.20 H new ATOM 0 HB3 PHE A 103 7.911 -0.711 -5.383 1.00 33.20 H new ATOM 0 HD1 PHE A 103 5.360 0.365 -2.890 1.00 11.14 H new ATOM 0 HD2 PHE A 103 6.849 -2.791 -5.315 1.00 1.30 H new ATOM 0 HE1 PHE A 103 3.357 -0.958 -2.397 1.00 5.25 H new ATOM 0 HE2 PHE A 103 4.849 -4.111 -4.831 1.00 3.42 H new ATOM 0 HZ PHE A 103 3.097 -3.196 -3.373 1.00 54.03 H new ATOM 1574 N THR A 104 10.489 1.068 -3.406 1.00 12.42 N ATOM 1575 CA THR A 104 11.774 1.505 -3.895 1.00 71.30 C ATOM 1576 C THR A 104 12.921 0.734 -3.215 1.00 2.22 C ATOM 1577 O THR A 104 13.108 0.832 -1.999 1.00 43.20 O ATOM 1578 CB THR A 104 11.946 3.032 -3.712 1.00 40.42 C ATOM 1579 OG1 THR A 104 10.917 3.707 -4.464 1.00 1.44 O ATOM 1580 CG2 THR A 104 13.313 3.505 -4.212 1.00 10.40 C ATOM 0 H THR A 104 10.117 1.622 -2.635 1.00 12.42 H new ATOM 0 HA THR A 104 11.815 1.287 -4.962 1.00 71.30 H new ATOM 0 HB THR A 104 11.871 3.263 -2.649 1.00 40.42 H new ATOM 0 HG1 THR A 104 10.198 3.984 -3.859 1.00 1.44 H new ATOM 0 HG21 THR A 104 13.400 4.582 -4.069 1.00 10.40 H new ATOM 0 HG22 THR A 104 14.100 2.999 -3.652 1.00 10.40 H new ATOM 0 HG23 THR A 104 13.414 3.271 -5.272 1.00 10.40 H new ATOM 1588 N PRO A 105 13.661 -0.093 -3.994 1.00 23.11 N ATOM 1589 CA PRO A 105 14.806 -0.833 -3.481 1.00 24.42 C ATOM 1590 C PRO A 105 15.947 0.112 -3.124 1.00 11.33 C ATOM 1591 O PRO A 105 16.190 1.096 -3.833 1.00 23.21 O ATOM 1592 CB PRO A 105 15.205 -1.750 -4.645 1.00 41.35 C ATOM 1593 CG PRO A 105 14.676 -1.083 -5.865 1.00 14.43 C ATOM 1594 CD PRO A 105 13.448 -0.338 -5.439 1.00 13.40 C ATOM 0 HA PRO A 105 14.575 -1.385 -2.570 1.00 24.42 H new ATOM 0 HB2 PRO A 105 16.287 -1.870 -4.699 1.00 41.35 H new ATOM 0 HB3 PRO A 105 14.780 -2.746 -4.525 1.00 41.35 H new ATOM 0 HG2 PRO A 105 15.416 -0.403 -6.288 1.00 14.43 H new ATOM 0 HG3 PRO A 105 14.438 -1.816 -6.636 1.00 14.43 H new ATOM 0 HD2 PRO A 105 13.336 0.596 -5.990 1.00 13.40 H new ATOM 0 HD3 PRO A 105 12.545 -0.922 -5.616 1.00 13.40 H new ATOM 1602 N ASP A 106 16.633 -0.159 -2.049 1.00 12.54 N ATOM 1603 CA ASP A 106 17.726 0.709 -1.635 1.00 41.30 C ATOM 1604 C ASP A 106 19.052 -0.031 -1.777 1.00 4.23 C ATOM 1605 O ASP A 106 19.198 -1.131 -1.250 1.00 33.14 O ATOM 1606 CB ASP A 106 17.545 1.153 -0.184 1.00 53.31 C ATOM 1607 CG ASP A 106 18.514 2.247 0.247 1.00 52.42 C ATOM 1608 OD1 ASP A 106 19.727 2.064 0.189 1.00 14.10 O ATOM 1609 OD2 ASP A 106 18.053 3.328 0.642 1.00 13.44 O ATOM 0 H ASP A 106 16.466 -0.962 -1.442 1.00 12.54 H new ATOM 0 HA ASP A 106 17.726 1.592 -2.274 1.00 41.30 H new ATOM 0 HB2 ASP A 106 16.524 1.510 -0.047 1.00 53.31 H new ATOM 0 HB3 ASP A 106 17.672 0.290 0.469 1.00 53.31 H new ATOM 1614 N PRO A 107 20.033 0.560 -2.488 1.00 61.10 N ATOM 1615 CA PRO A 107 21.372 -0.038 -2.693 1.00 70.20 C ATOM 1616 C PRO A 107 22.105 -0.320 -1.384 1.00 21.15 C ATOM 1617 O PRO A 107 22.918 -1.240 -1.297 1.00 55.31 O ATOM 1618 CB PRO A 107 22.133 1.039 -3.461 1.00 24.12 C ATOM 1619 CG PRO A 107 21.091 1.887 -4.083 1.00 21.13 C ATOM 1620 CD PRO A 107 19.911 1.856 -3.170 1.00 51.34 C ATOM 0 HA PRO A 107 21.295 -0.998 -3.204 1.00 70.20 H new ATOM 0 HB2 PRO A 107 22.768 1.622 -2.795 1.00 24.12 H new ATOM 0 HB3 PRO A 107 22.783 0.598 -4.216 1.00 24.12 H new ATOM 0 HG2 PRO A 107 21.451 2.907 -4.216 1.00 21.13 H new ATOM 0 HG3 PRO A 107 20.826 1.512 -5.071 1.00 21.13 H new ATOM 0 HD2 PRO A 107 19.930 2.685 -2.462 1.00 51.34 H new ATOM 0 HD3 PRO A 107 18.975 1.931 -3.723 1.00 51.34 H new ATOM 1628 N SER A 108 21.799 0.456 -0.375 1.00 40.41 N ATOM 1629 CA SER A 108 22.439 0.335 0.911 1.00 1.45 C ATOM 1630 C SER A 108 21.594 -0.520 1.850 1.00 53.54 C ATOM 1631 O SER A 108 21.887 -0.630 3.044 1.00 45.32 O ATOM 1632 CB SER A 108 22.640 1.721 1.512 1.00 42.23 C ATOM 1633 OG SER A 108 23.343 2.576 0.607 1.00 1.04 O ATOM 0 H SER A 108 21.096 1.193 -0.423 1.00 40.41 H new ATOM 0 HA SER A 108 23.407 -0.149 0.779 1.00 1.45 H new ATOM 0 HB2 SER A 108 21.672 2.160 1.754 1.00 42.23 H new ATOM 0 HB3 SER A 108 23.196 1.639 2.446 1.00 42.23 H new ATOM 0 HG SER A 108 23.458 3.460 1.015 1.00 1.04 H new ATOM 1639 N LEU A 109 20.547 -1.109 1.327 1.00 41.20 N ATOM 1640 CA LEU A 109 19.696 -1.931 2.129 1.00 55.34 C ATOM 1641 C LEU A 109 19.786 -3.361 1.671 1.00 62.01 C ATOM 1642 O LEU A 109 19.566 -3.680 0.494 1.00 51.35 O ATOM 1643 CB LEU A 109 18.258 -1.435 2.092 1.00 0.41 C ATOM 1644 CG LEU A 109 17.266 -2.148 3.009 1.00 53.45 C ATOM 1645 CD1 LEU A 109 17.717 -2.082 4.458 1.00 62.33 C ATOM 1646 CD2 LEU A 109 15.898 -1.533 2.862 1.00 63.43 C ATOM 0 H LEU A 109 20.269 -1.030 0.349 1.00 41.20 H new ATOM 0 HA LEU A 109 20.033 -1.873 3.164 1.00 55.34 H new ATOM 0 HB2 LEU A 109 18.256 -0.375 2.346 1.00 0.41 H new ATOM 0 HB3 LEU A 109 17.895 -1.517 1.067 1.00 0.41 H new ATOM 0 HG LEU A 109 17.222 -3.197 2.716 1.00 53.45 H new ATOM 0 HD11 LEU A 109 16.992 -2.597 5.088 1.00 62.33 H new ATOM 0 HD12 LEU A 109 18.691 -2.561 4.558 1.00 62.33 H new ATOM 0 HD13 LEU A 109 17.792 -1.040 4.769 1.00 62.33 H new ATOM 0 HD21 LEU A 109 15.196 -2.046 3.519 1.00 63.43 H new ATOM 0 HD22 LEU A 109 15.942 -0.478 3.132 1.00 63.43 H new ATOM 0 HD23 LEU A 109 15.565 -1.629 1.829 1.00 63.43 H new ATOM 1658 N THR A 110 20.122 -4.199 2.580 1.00 11.40 N ATOM 1659 CA THR A 110 20.279 -5.589 2.329 1.00 0.32 C ATOM 1660 C THR A 110 19.297 -6.331 3.225 1.00 60.31 C ATOM 1661 O THR A 110 19.310 -6.182 4.462 1.00 3.13 O ATOM 1662 CB THR A 110 21.729 -5.992 2.627 1.00 3.20 C ATOM 1663 OG1 THR A 110 22.593 -5.035 1.988 1.00 33.43 O ATOM 1664 CG2 THR A 110 22.036 -7.361 2.066 1.00 1.24 C ATOM 0 H THR A 110 20.301 -3.933 3.548 1.00 11.40 H new ATOM 0 HA THR A 110 20.073 -5.836 1.288 1.00 0.32 H new ATOM 0 HB THR A 110 21.880 -6.015 3.706 1.00 3.20 H new ATOM 0 HG1 THR A 110 23.528 -5.269 2.165 1.00 33.43 H new ATOM 0 HG21 THR A 110 23.070 -7.623 2.291 1.00 1.24 H new ATOM 0 HG22 THR A 110 21.369 -8.097 2.516 1.00 1.24 H new ATOM 0 HG23 THR A 110 21.891 -7.353 0.986 1.00 1.24 H new ATOM 1672 N ILE A 111 18.427 -7.071 2.611 1.00 14.03 N ATOM 1673 CA ILE A 111 17.360 -7.748 3.299 1.00 71.43 C ATOM 1674 C ILE A 111 17.406 -9.201 2.908 1.00 45.22 C ATOM 1675 O ILE A 111 17.814 -9.525 1.823 1.00 73.21 O ATOM 1676 CB ILE A 111 15.984 -7.156 2.855 1.00 44.34 C ATOM 1677 CG1 ILE A 111 15.931 -5.643 3.088 1.00 65.44 C ATOM 1678 CG2 ILE A 111 14.812 -7.844 3.537 1.00 3.51 C ATOM 1679 CD1 ILE A 111 14.647 -4.991 2.626 1.00 52.54 C ATOM 0 H ILE A 111 18.434 -7.227 1.603 1.00 14.03 H new ATOM 0 HA ILE A 111 17.474 -7.626 4.376 1.00 71.43 H new ATOM 0 HB ILE A 111 15.893 -7.345 1.785 1.00 44.34 H new ATOM 0 HG12 ILE A 111 16.064 -5.445 4.152 1.00 65.44 H new ATOM 0 HG13 ILE A 111 16.769 -5.177 2.570 1.00 65.44 H new ATOM 0 HG21 ILE A 111 13.879 -7.397 3.195 1.00 3.51 H new ATOM 0 HG22 ILE A 111 14.818 -8.905 3.288 1.00 3.51 H new ATOM 0 HG23 ILE A 111 14.898 -7.724 4.617 1.00 3.51 H new ATOM 0 HD11 ILE A 111 14.690 -3.920 2.827 1.00 52.54 H new ATOM 0 HD12 ILE A 111 14.520 -5.155 1.556 1.00 52.54 H new ATOM 0 HD13 ILE A 111 13.804 -5.427 3.162 1.00 52.54 H new ATOM 1805 N VAL A 120 19.692 -10.436 0.195 1.00 62.32 N ATOM 1806 CA VAL A 120 19.348 -9.783 -1.027 1.00 41.13 C ATOM 1807 C VAL A 120 19.746 -8.329 -0.896 1.00 24.43 C ATOM 1808 O VAL A 120 19.264 -7.619 -0.007 1.00 51.30 O ATOM 1809 CB VAL A 120 17.811 -9.865 -1.309 1.00 43.21 C ATOM 1810 CG1 VAL A 120 17.451 -9.216 -2.638 1.00 34.44 C ATOM 1811 CG2 VAL A 120 17.323 -11.307 -1.278 1.00 4.32 C ATOM 0 HA VAL A 120 19.866 -10.271 -1.852 1.00 41.13 H new ATOM 0 HB VAL A 120 17.309 -9.312 -0.515 1.00 43.21 H new ATOM 0 HG11 VAL A 120 16.376 -9.292 -2.801 1.00 34.44 H new ATOM 0 HG12 VAL A 120 17.742 -8.166 -2.621 1.00 34.44 H new ATOM 0 HG13 VAL A 120 17.977 -9.725 -3.446 1.00 34.44 H new ATOM 0 HG21 VAL A 120 16.252 -11.333 -1.477 1.00 4.32 H new ATOM 0 HG22 VAL A 120 17.848 -11.885 -2.039 1.00 4.32 H new ATOM 0 HG23 VAL A 120 17.520 -11.737 -0.296 1.00 4.32 H new ATOM 1821 N SER A 121 20.633 -7.904 -1.728 1.00 10.35 N ATOM 1822 CA SER A 121 21.043 -6.543 -1.742 1.00 13.13 C ATOM 1823 C SER A 121 20.036 -5.780 -2.570 1.00 1.05 C ATOM 1824 O SER A 121 19.382 -6.379 -3.418 1.00 31.24 O ATOM 1825 CB SER A 121 22.428 -6.454 -2.338 1.00 52.21 C ATOM 1826 OG SER A 121 23.302 -7.332 -1.647 1.00 63.41 O ATOM 0 H SER A 121 21.096 -8.493 -2.420 1.00 10.35 H new ATOM 0 HA SER A 121 21.084 -6.120 -0.738 1.00 13.13 H new ATOM 0 HB2 SER A 121 22.397 -6.714 -3.396 1.00 52.21 H new ATOM 0 HB3 SER A 121 22.798 -5.431 -2.272 1.00 52.21 H new ATOM 0 HG SER A 121 24.199 -7.274 -2.037 1.00 63.41 H new ATOM 1832 N ASN A 122 19.894 -4.494 -2.306 1.00 11.34 N ATOM 1833 CA ASN A 122 18.917 -3.608 -2.957 1.00 21.41 C ATOM 1834 C ASN A 122 17.530 -4.201 -3.029 1.00 44.54 C ATOM 1835 O ASN A 122 17.005 -4.532 -4.103 1.00 22.41 O ATOM 1836 CB ASN A 122 19.375 -2.867 -4.283 1.00 21.21 C ATOM 1837 CG ASN A 122 19.479 -3.666 -5.614 1.00 21.44 C ATOM 1838 OD1 ASN A 122 19.805 -4.915 -5.581 1.00 3.02 O flip ATOM 1839 ND2 ASN A 122 19.251 -3.108 -6.686 1.00 63.14 N flip ATOM 0 H ASN A 122 20.468 -4.012 -1.613 1.00 11.34 H new ATOM 0 HA ASN A 122 18.862 -2.772 -2.259 1.00 21.41 H new ATOM 0 HB2 ASN A 122 18.683 -2.042 -4.451 1.00 21.21 H new ATOM 0 HB3 ASN A 122 20.353 -2.427 -4.089 1.00 21.21 H new ATOM 0 HD21 ASN A 122 18.994 -2.121 -6.703 1.00 63.14 H new ATOM 0 HD22 ASN A 122 19.319 -3.632 -7.558 1.00 63.14 H new ATOM 1846 N ALA A 123 16.976 -4.428 -1.865 1.00 2.34 N ATOM 1847 CA ALA A 123 15.657 -4.935 -1.760 1.00 74.21 C ATOM 1848 C ALA A 123 14.766 -3.790 -1.351 1.00 14.11 C ATOM 1849 O ALA A 123 15.268 -2.689 -1.046 1.00 12.51 O ATOM 1850 CB ALA A 123 15.616 -6.067 -0.751 1.00 73.24 C ATOM 0 H ALA A 123 17.438 -4.262 -0.971 1.00 2.34 H new ATOM 0 HA ALA A 123 15.313 -5.344 -2.710 1.00 74.21 H new ATOM 0 HB1 ALA A 123 14.599 -6.451 -0.676 1.00 73.24 H new ATOM 0 HB2 ALA A 123 16.283 -6.866 -1.074 1.00 73.24 H new ATOM 0 HB3 ALA A 123 15.937 -5.698 0.223 1.00 73.24 H new ATOM 1856 N ARG A 124 13.496 -4.006 -1.341 1.00 10.25 N ATOM 1857 CA ARG A 124 12.569 -2.958 -1.013 1.00 4.30 C ATOM 1858 C ARG A 124 12.059 -3.170 0.394 1.00 42.11 C ATOM 1859 O ARG A 124 12.020 -4.303 0.857 1.00 0.31 O ATOM 1860 CB ARG A 124 11.408 -2.907 -2.031 1.00 62.31 C ATOM 1861 CG ARG A 124 10.731 -4.246 -2.268 1.00 30.34 C ATOM 1862 CD ARG A 124 9.512 -4.132 -3.159 1.00 70.44 C ATOM 1863 NE ARG A 124 9.793 -3.489 -4.455 1.00 34.30 N ATOM 1864 CZ ARG A 124 9.253 -3.863 -5.624 1.00 31.41 C ATOM 1865 NH1 ARG A 124 8.635 -5.047 -5.731 1.00 32.54 N ATOM 1866 NH2 ARG A 124 9.401 -3.086 -6.688 1.00 74.14 N ATOM 0 H ARG A 124 13.065 -4.905 -1.557 1.00 10.25 H new ATOM 0 HA ARG A 124 13.079 -1.996 -1.063 1.00 4.30 H new ATOM 0 HB2 ARG A 124 10.663 -2.192 -1.681 1.00 62.31 H new ATOM 0 HB3 ARG A 124 11.788 -2.531 -2.981 1.00 62.31 H new ATOM 0 HG2 ARG A 124 11.444 -4.935 -2.721 1.00 30.34 H new ATOM 0 HG3 ARG A 124 10.438 -4.675 -1.310 1.00 30.34 H new ATOM 0 HD2 ARG A 124 9.106 -5.128 -3.336 1.00 70.44 H new ATOM 0 HD3 ARG A 124 8.742 -3.562 -2.638 1.00 70.44 H new ATOM 0 HE ARG A 124 10.444 -2.704 -4.463 1.00 34.30 H new ATOM 0 HH11 ARG A 124 8.575 -5.666 -4.922 1.00 32.54 H new ATOM 0 HH12 ARG A 124 8.225 -5.330 -6.621 1.00 32.54 H new ATOM 0 HH21 ARG A 124 9.922 -2.212 -6.613 1.00 74.14 H new ATOM 0 HH22 ARG A 124 8.994 -3.362 -7.582 1.00 74.14 H new ATOM 1880 N PRO A 125 11.677 -2.090 1.116 1.00 73.33 N ATOM 1881 CA PRO A 125 11.142 -2.187 2.487 1.00 35.10 C ATOM 1882 C PRO A 125 9.987 -3.209 2.627 1.00 61.12 C ATOM 1883 O PRO A 125 9.745 -3.727 3.705 1.00 5.50 O ATOM 1884 CB PRO A 125 10.663 -0.763 2.786 1.00 64.12 C ATOM 1885 CG PRO A 125 11.527 0.104 1.941 1.00 12.11 C ATOM 1886 CD PRO A 125 11.796 -0.674 0.683 1.00 34.21 C ATOM 0 HA PRO A 125 11.896 -2.551 3.185 1.00 35.10 H new ATOM 0 HB2 PRO A 125 9.609 -0.638 2.536 1.00 64.12 H new ATOM 0 HB3 PRO A 125 10.771 -0.521 3.843 1.00 64.12 H new ATOM 0 HG2 PRO A 125 11.031 1.048 1.717 1.00 12.11 H new ATOM 0 HG3 PRO A 125 12.457 0.347 2.455 1.00 12.11 H new ATOM 0 HD2 PRO A 125 11.077 -0.432 -0.099 1.00 34.21 H new ATOM 0 HD3 PRO A 125 12.787 -0.459 0.283 1.00 34.21 H new ATOM 1894 N VAL A 126 9.320 -3.523 1.520 1.00 32.43 N ATOM 1895 CA VAL A 126 8.259 -4.536 1.503 1.00 14.31 C ATOM 1896 C VAL A 126 8.821 -5.895 1.941 1.00 11.52 C ATOM 1897 O VAL A 126 8.207 -6.602 2.748 1.00 1.31 O ATOM 1898 CB VAL A 126 7.654 -4.693 0.081 1.00 22.54 C ATOM 1899 CG1 VAL A 126 6.637 -5.804 0.045 1.00 4.52 C ATOM 1900 CG2 VAL A 126 7.008 -3.415 -0.382 1.00 34.22 C ATOM 0 H VAL A 126 9.495 -3.089 0.614 1.00 32.43 H new ATOM 0 HA VAL A 126 7.480 -4.206 2.191 1.00 14.31 H new ATOM 0 HB VAL A 126 8.477 -4.938 -0.591 1.00 22.54 H new ATOM 0 HG11 VAL A 126 6.230 -5.892 -0.962 1.00 4.52 H new ATOM 0 HG12 VAL A 126 7.114 -6.743 0.327 1.00 4.52 H new ATOM 0 HG13 VAL A 126 5.831 -5.582 0.744 1.00 4.52 H new ATOM 0 HG21 VAL A 126 6.594 -3.557 -1.380 1.00 34.22 H new ATOM 0 HG22 VAL A 126 6.209 -3.141 0.307 1.00 34.22 H new ATOM 0 HG23 VAL A 126 7.753 -2.620 -0.408 1.00 34.22 H new ATOM 1910 N ASP A 127 10.019 -6.210 1.453 1.00 71.32 N ATOM 1911 CA ASP A 127 10.687 -7.483 1.752 1.00 23.22 C ATOM 1912 C ASP A 127 10.946 -7.585 3.228 1.00 12.23 C ATOM 1913 O ASP A 127 10.759 -8.634 3.839 1.00 55.31 O ATOM 1914 CB ASP A 127 12.030 -7.610 1.008 1.00 4.31 C ATOM 1915 CG ASP A 127 11.899 -7.645 -0.490 1.00 74.22 C ATOM 1916 OD1 ASP A 127 11.448 -8.664 -1.022 1.00 74.12 O ATOM 1917 OD2 ASP A 127 12.282 -6.654 -1.168 1.00 53.51 O ATOM 0 H ASP A 127 10.556 -5.595 0.841 1.00 71.32 H new ATOM 0 HA ASP A 127 10.027 -8.285 1.421 1.00 23.22 H new ATOM 0 HB2 ASP A 127 12.669 -6.772 1.287 1.00 4.31 H new ATOM 0 HB3 ASP A 127 12.533 -8.518 1.340 1.00 4.31 H new ATOM 1922 N ALA A 128 11.342 -6.467 3.802 1.00 22.44 N ATOM 1923 CA ALA A 128 11.640 -6.390 5.212 1.00 64.42 C ATOM 1924 C ALA A 128 10.364 -6.528 6.020 1.00 73.23 C ATOM 1925 O ALA A 128 10.302 -7.294 6.974 1.00 53.24 O ATOM 1926 CB ALA A 128 12.336 -5.073 5.539 1.00 12.40 C ATOM 0 H ALA A 128 11.465 -5.587 3.301 1.00 22.44 H new ATOM 0 HA ALA A 128 12.312 -7.207 5.473 1.00 64.42 H new ATOM 0 HB1 ALA A 128 12.553 -5.032 6.606 1.00 12.40 H new ATOM 0 HB2 ALA A 128 13.267 -5.004 4.976 1.00 12.40 H new ATOM 0 HB3 ALA A 128 11.686 -4.241 5.269 1.00 12.40 H new ATOM 1932 N LEU A 129 9.340 -5.817 5.598 1.00 34.23 N ATOM 1933 CA LEU A 129 8.062 -5.791 6.260 1.00 12.21 C ATOM 1934 C LEU A 129 7.422 -7.180 6.334 1.00 75.41 C ATOM 1935 O LEU A 129 6.954 -7.601 7.395 1.00 62.43 O ATOM 1936 CB LEU A 129 7.179 -4.874 5.453 1.00 55.53 C ATOM 1937 CG LEU A 129 5.701 -5.038 5.629 1.00 5.13 C ATOM 1938 CD1 LEU A 129 5.233 -4.526 6.988 1.00 13.25 C ATOM 1939 CD2 LEU A 129 4.986 -4.385 4.481 1.00 51.11 C ATOM 0 H LEU A 129 9.378 -5.229 4.765 1.00 34.23 H new ATOM 0 HA LEU A 129 8.188 -5.447 7.287 1.00 12.21 H new ATOM 0 HB2 LEU A 129 7.439 -3.845 5.702 1.00 55.53 H new ATOM 0 HB3 LEU A 129 7.414 -5.016 4.398 1.00 55.53 H new ATOM 0 HG LEU A 129 5.455 -6.100 5.618 1.00 5.13 H new ATOM 0 HD11 LEU A 129 4.155 -4.663 7.077 1.00 13.25 H new ATOM 0 HD12 LEU A 129 5.736 -5.082 7.779 1.00 13.25 H new ATOM 0 HD13 LEU A 129 5.473 -3.467 7.080 1.00 13.25 H new ATOM 0 HD21 LEU A 129 3.910 -4.504 4.608 1.00 51.11 H new ATOM 0 HD22 LEU A 129 5.233 -3.324 4.455 1.00 51.11 H new ATOM 0 HD23 LEU A 129 5.295 -4.853 3.546 1.00 51.11 H new ATOM 1951 N HIS A 130 7.477 -7.900 5.236 1.00 42.42 N ATOM 1952 CA HIS A 130 6.864 -9.223 5.139 1.00 54.31 C ATOM 1953 C HIS A 130 7.647 -10.224 5.994 1.00 73.32 C ATOM 1954 O HIS A 130 7.106 -11.219 6.474 1.00 54.11 O ATOM 1955 CB HIS A 130 6.818 -9.661 3.642 1.00 74.41 C ATOM 1956 CG HIS A 130 6.224 -11.033 3.354 1.00 74.13 C ATOM 1957 ND1 HIS A 130 6.767 -12.271 3.512 1.00 61.20 N flip ATOM 1958 CD2 HIS A 130 4.980 -11.245 2.787 1.00 44.43 C flip ATOM 1959 CE1 HIS A 130 5.874 -13.231 3.051 1.00 3.12 C flip ATOM 1960 NE2 HIS A 130 4.816 -12.560 2.624 1.00 3.05 N flip ATOM 0 H HIS A 130 7.944 -7.594 4.383 1.00 42.42 H new ATOM 0 HA HIS A 130 5.843 -9.190 5.518 1.00 54.31 H new ATOM 0 HB2 HIS A 130 6.246 -8.918 3.086 1.00 74.41 H new ATOM 0 HB3 HIS A 130 7.834 -9.640 3.249 1.00 74.41 H new ATOM 0 HD2 HIS A 130 4.266 -10.480 2.522 1.00 44.43 H new ATOM 0 HE1 HIS A 130 6.014 -14.302 3.043 1.00 3.12 H new ATOM 0 HE2 HIS A 130 3.983 -12.991 2.223 1.00 3.05 H new ATOM 1968 N ALA A 131 8.890 -9.905 6.231 1.00 62.34 N ATOM 1969 CA ALA A 131 9.805 -10.798 6.950 1.00 32.40 C ATOM 1970 C ALA A 131 9.978 -10.393 8.421 1.00 15.33 C ATOM 1971 O ALA A 131 10.866 -10.906 9.113 1.00 44.13 O ATOM 1972 CB ALA A 131 11.153 -10.842 6.245 1.00 24.54 C ATOM 0 H ALA A 131 9.312 -9.024 5.938 1.00 62.34 H new ATOM 0 HA ALA A 131 9.363 -11.794 6.945 1.00 32.40 H new ATOM 0 HB1 ALA A 131 11.825 -11.508 6.786 1.00 24.54 H new ATOM 0 HB2 ALA A 131 11.020 -11.210 5.228 1.00 24.54 H new ATOM 0 HB3 ALA A 131 11.581 -9.840 6.215 1.00 24.54 H new ATOM 1978 N HIS A 132 9.131 -9.469 8.883 1.00 44.24 N ATOM 1979 CA HIS A 132 9.124 -8.973 10.283 1.00 53.20 C ATOM 1980 C HIS A 132 10.439 -8.193 10.608 1.00 42.24 C ATOM 1981 O HIS A 132 10.828 -8.005 11.743 1.00 54.14 O ATOM 1982 CB HIS A 132 8.854 -10.149 11.280 1.00 32.55 C ATOM 1983 CG HIS A 132 8.658 -9.746 12.722 1.00 51.03 C ATOM 1984 ND1 HIS A 132 9.595 -9.949 13.710 1.00 72.32 N ATOM 1985 CD2 HIS A 132 7.609 -9.138 13.328 1.00 11.11 C ATOM 1986 CE1 HIS A 132 9.111 -9.477 14.850 1.00 71.43 C ATOM 1987 NE2 HIS A 132 7.902 -8.966 14.680 1.00 43.04 N ATOM 0 H HIS A 132 8.419 -9.033 8.298 1.00 44.24 H new ATOM 0 HA HIS A 132 8.307 -8.262 10.402 1.00 53.20 H new ATOM 0 HB2 HIS A 132 7.967 -10.688 10.948 1.00 32.55 H new ATOM 0 HB3 HIS A 132 9.689 -10.847 11.226 1.00 32.55 H new ATOM 0 HD2 HIS A 132 6.693 -8.835 12.842 1.00 11.11 H new ATOM 0 HE1 HIS A 132 9.635 -9.506 15.794 1.00 71.43 H new ATOM 0 HE2 HIS A 132 7.309 -8.536 15.390 1.00 43.04 H new ATOM 1995 N GLN A 133 11.009 -7.628 9.578 1.00 3.13 N ATOM 1996 CA GLN A 133 12.198 -6.763 9.643 1.00 2.42 C ATOM 1997 C GLN A 133 11.692 -5.326 9.500 1.00 43.34 C ATOM 1998 O GLN A 133 12.403 -4.404 9.089 1.00 71.35 O ATOM 1999 CB GLN A 133 13.176 -7.117 8.516 1.00 32.31 C ATOM 2000 CG GLN A 133 13.695 -8.544 8.578 1.00 20.32 C ATOM 2001 CD GLN A 133 14.545 -8.926 7.377 1.00 72.42 C ATOM 2002 OE1 GLN A 133 15.241 -8.093 6.774 1.00 64.14 O ATOM 2003 NE2 GLN A 133 14.486 -10.182 7.016 1.00 23.04 N ATOM 0 H GLN A 133 10.660 -7.750 8.628 1.00 3.13 H new ATOM 0 HA GLN A 133 12.737 -6.893 10.582 1.00 2.42 H new ATOM 0 HB2 GLN A 133 12.682 -6.962 7.557 1.00 32.31 H new ATOM 0 HB3 GLN A 133 14.022 -6.431 8.553 1.00 32.31 H new ATOM 0 HG2 GLN A 133 14.284 -8.670 9.486 1.00 20.32 H new ATOM 0 HG3 GLN A 133 12.850 -9.228 8.649 1.00 20.32 H new ATOM 0 HE21 GLN A 133 13.902 -10.836 7.538 1.00 23.04 H new ATOM 0 HE22 GLN A 133 15.024 -10.508 6.213 1.00 23.04 H new ATOM 2012 N ALA A 134 10.433 -5.188 9.878 1.00 14.30 N ATOM 2013 CA ALA A 134 9.602 -4.013 9.729 1.00 12.14 C ATOM 2014 C ALA A 134 10.200 -2.716 10.268 1.00 11.43 C ATOM 2015 O ALA A 134 9.836 -1.666 9.788 1.00 4.34 O ATOM 2016 CB ALA A 134 8.234 -4.258 10.343 1.00 1.45 C ATOM 0 H ALA A 134 9.931 -5.952 10.330 1.00 14.30 H new ATOM 0 HA ALA A 134 9.520 -3.858 8.653 1.00 12.14 H new ATOM 0 HB1 ALA A 134 7.617 -3.367 10.225 1.00 1.45 H new ATOM 0 HB2 ALA A 134 7.756 -5.099 9.842 1.00 1.45 H new ATOM 0 HB3 ALA A 134 8.346 -4.484 11.403 1.00 1.45 H new ATOM 2022 N ARG A 135 11.082 -2.771 11.262 1.00 70.41 N ATOM 2023 CA ARG A 135 11.623 -1.532 11.849 1.00 61.41 C ATOM 2024 C ARG A 135 12.302 -0.591 10.841 1.00 24.22 C ATOM 2025 O ARG A 135 12.180 0.612 10.978 1.00 4.31 O ATOM 2026 CB ARG A 135 12.492 -1.774 13.080 1.00 12.43 C ATOM 2027 CG ARG A 135 11.695 -2.264 14.275 1.00 71.13 C ATOM 2028 CD ARG A 135 12.543 -2.342 15.525 1.00 11.04 C ATOM 2029 NE ARG A 135 11.742 -2.714 16.700 1.00 1.54 N ATOM 2030 CZ ARG A 135 12.070 -2.449 17.974 1.00 10.22 C ATOM 2031 NH1 ARG A 135 13.218 -1.830 18.255 1.00 24.32 N ATOM 2032 NH2 ARG A 135 11.245 -2.798 18.956 1.00 34.21 N ATOM 0 H ARG A 135 11.435 -3.634 11.675 1.00 70.41 H new ATOM 0 HA ARG A 135 10.736 -0.999 12.190 1.00 61.41 H new ATOM 0 HB2 ARG A 135 13.262 -2.506 12.837 1.00 12.43 H new ATOM 0 HB3 ARG A 135 13.004 -0.849 13.345 1.00 12.43 H new ATOM 0 HG2 ARG A 135 10.853 -1.594 14.449 1.00 71.13 H new ATOM 0 HG3 ARG A 135 11.280 -3.248 14.056 1.00 71.13 H new ATOM 0 HD2 ARG A 135 13.339 -3.073 15.380 1.00 11.04 H new ATOM 0 HD3 ARG A 135 13.022 -1.379 15.701 1.00 11.04 H new ATOM 0 HE ARG A 135 10.868 -3.213 16.534 1.00 1.54 H new ATOM 0 HH11 ARG A 135 13.848 -1.557 17.501 1.00 24.32 H new ATOM 0 HH12 ARG A 135 13.465 -1.629 19.224 1.00 24.32 H new ATOM 0 HH21 ARG A 135 10.365 -3.266 18.740 1.00 34.21 H new ATOM 0 HH22 ARG A 135 11.492 -2.598 19.925 1.00 34.21 H new ATOM 2046 N GLU A 136 12.972 -1.123 9.810 1.00 13.20 N ATOM 2047 CA GLU A 136 13.557 -0.248 8.773 1.00 13.31 C ATOM 2048 C GLU A 136 12.435 0.425 7.988 1.00 22.31 C ATOM 2049 O GLU A 136 12.524 1.582 7.601 1.00 1.44 O ATOM 2050 CB GLU A 136 14.435 -1.040 7.804 1.00 43.34 C ATOM 2051 CG GLU A 136 15.892 -0.601 7.769 1.00 50.51 C ATOM 2052 CD GLU A 136 16.088 0.873 7.415 1.00 14.30 C ATOM 2053 OE1 GLU A 136 16.122 1.224 6.219 1.00 45.15 O ATOM 2054 OE2 GLU A 136 16.243 1.701 8.341 1.00 4.52 O ATOM 0 H GLU A 136 13.122 -2.122 9.669 1.00 13.20 H new ATOM 0 HA GLU A 136 14.177 0.497 9.270 1.00 13.31 H new ATOM 0 HB2 GLU A 136 14.393 -2.095 8.075 1.00 43.34 H new ATOM 0 HB3 GLU A 136 14.018 -0.952 6.801 1.00 43.34 H new ATOM 0 HG2 GLU A 136 16.342 -0.793 8.743 1.00 50.51 H new ATOM 0 HG3 GLU A 136 16.428 -1.213 7.043 1.00 50.51 H new ATOM 2061 N VAL A 137 11.361 -0.312 7.815 1.00 64.24 N ATOM 2062 CA VAL A 137 10.200 0.138 7.072 1.00 72.51 C ATOM 2063 C VAL A 137 9.504 1.231 7.860 1.00 13.42 C ATOM 2064 O VAL A 137 9.206 2.295 7.330 1.00 3.33 O ATOM 2065 CB VAL A 137 9.208 -1.024 6.853 1.00 11.12 C ATOM 2066 CG1 VAL A 137 8.087 -0.634 5.900 1.00 42.32 C ATOM 2067 CG2 VAL A 137 9.936 -2.263 6.379 1.00 0.02 C ATOM 0 H VAL A 137 11.266 -1.255 8.191 1.00 64.24 H new ATOM 0 HA VAL A 137 10.528 0.511 6.102 1.00 72.51 H new ATOM 0 HB VAL A 137 8.742 -1.253 7.812 1.00 11.12 H new ATOM 0 HG11 VAL A 137 7.409 -1.478 5.771 1.00 42.32 H new ATOM 0 HG12 VAL A 137 7.538 0.213 6.311 1.00 42.32 H new ATOM 0 HG13 VAL A 137 8.510 -0.358 4.934 1.00 42.32 H new ATOM 0 HG21 VAL A 137 9.220 -3.071 6.230 1.00 0.02 H new ATOM 0 HG22 VAL A 137 10.443 -2.050 5.438 1.00 0.02 H new ATOM 0 HG23 VAL A 137 10.670 -2.562 7.127 1.00 0.02 H new ATOM 2077 N VAL A 138 9.286 0.962 9.142 1.00 74.25 N ATOM 2078 CA VAL A 138 8.647 1.906 10.037 1.00 1.22 C ATOM 2079 C VAL A 138 9.506 3.158 10.155 1.00 53.12 C ATOM 2080 O VAL A 138 9.000 4.260 10.059 1.00 42.35 O ATOM 2081 CB VAL A 138 8.388 1.296 11.448 1.00 12.20 C ATOM 2082 CG1 VAL A 138 7.680 2.298 12.355 1.00 61.12 C ATOM 2083 CG2 VAL A 138 7.564 0.021 11.341 1.00 10.02 C ATOM 0 H VAL A 138 9.549 0.082 9.586 1.00 74.25 H new ATOM 0 HA VAL A 138 7.675 2.161 9.614 1.00 1.22 H new ATOM 0 HB VAL A 138 9.356 1.054 11.887 1.00 12.20 H new ATOM 0 HG11 VAL A 138 7.511 1.847 13.333 1.00 61.12 H new ATOM 0 HG12 VAL A 138 8.299 3.188 12.467 1.00 61.12 H new ATOM 0 HG13 VAL A 138 6.723 2.576 11.913 1.00 61.12 H new ATOM 0 HG21 VAL A 138 7.395 -0.388 12.337 1.00 10.02 H new ATOM 0 HG22 VAL A 138 6.605 0.246 10.874 1.00 10.02 H new ATOM 0 HG23 VAL A 138 8.101 -0.709 10.735 1.00 10.02 H new ATOM 2093 N ARG A 139 10.809 2.968 10.302 1.00 70.30 N ATOM 2094 CA ARG A 139 11.756 4.073 10.368 1.00 32.20 C ATOM 2095 C ARG A 139 11.667 4.944 9.114 1.00 53.14 C ATOM 2096 O ARG A 139 11.589 6.161 9.207 1.00 24.41 O ATOM 2097 CB ARG A 139 13.184 3.554 10.512 1.00 32.15 C ATOM 2098 CG ARG A 139 14.228 4.648 10.440 1.00 54.30 C ATOM 2099 CD ARG A 139 15.617 4.086 10.349 1.00 20.10 C ATOM 2100 NE ARG A 139 16.587 5.140 10.063 1.00 62.04 N ATOM 2101 CZ ARG A 139 17.441 5.135 9.034 1.00 45.15 C ATOM 2102 NH1 ARG A 139 17.505 4.084 8.209 1.00 72.44 N ATOM 2103 NH2 ARG A 139 18.225 6.189 8.824 1.00 13.34 N ATOM 0 H ARG A 139 11.239 2.046 10.379 1.00 70.30 H new ATOM 0 HA ARG A 139 11.498 4.672 11.241 1.00 32.20 H new ATOM 0 HB2 ARG A 139 13.279 3.032 11.464 1.00 32.15 H new ATOM 0 HB3 ARG A 139 13.379 2.823 9.727 1.00 32.15 H new ATOM 0 HG2 ARG A 139 14.034 5.280 9.573 1.00 54.30 H new ATOM 0 HG3 ARG A 139 14.150 5.284 11.322 1.00 54.30 H new ATOM 0 HD2 ARG A 139 15.876 3.592 11.285 1.00 20.10 H new ATOM 0 HD3 ARG A 139 15.656 3.328 9.567 1.00 20.10 H new ATOM 0 HE ARG A 139 16.615 5.940 10.696 1.00 62.04 H new ATOM 0 HH11 ARG A 139 16.899 3.278 8.362 1.00 72.44 H new ATOM 0 HH12 ARG A 139 18.159 4.089 7.427 1.00 72.44 H new ATOM 0 HH21 ARG A 139 18.173 6.995 9.446 1.00 13.34 H new ATOM 0 HH22 ARG A 139 18.878 6.191 8.041 1.00 13.34 H new ATOM 2117 N ARG A 140 11.657 4.310 7.948 1.00 54.12 N ATOM 2118 CA ARG A 140 11.556 5.035 6.692 1.00 15.31 C ATOM 2119 C ARG A 140 10.212 5.728 6.557 1.00 22.34 C ATOM 2120 O ARG A 140 10.124 6.819 6.009 1.00 14.11 O ATOM 2121 CB ARG A 140 11.851 4.142 5.492 1.00 10.11 C ATOM 2122 CG ARG A 140 13.306 3.700 5.428 1.00 1.03 C ATOM 2123 CD ARG A 140 13.574 2.853 4.212 1.00 55.12 C ATOM 2124 NE ARG A 140 14.987 2.446 4.128 1.00 22.41 N ATOM 2125 CZ ARG A 140 15.775 2.628 3.054 1.00 20.44 C ATOM 2126 NH1 ARG A 140 15.258 3.000 1.889 1.00 74.35 N ATOM 2127 NH2 ARG A 140 17.069 2.389 3.128 1.00 34.34 N ATOM 0 H ARG A 140 11.718 3.297 7.848 1.00 54.12 H new ATOM 0 HA ARG A 140 12.323 5.809 6.707 1.00 15.31 H new ATOM 0 HB2 ARG A 140 11.210 3.261 5.534 1.00 10.11 H new ATOM 0 HB3 ARG A 140 11.598 4.677 4.576 1.00 10.11 H new ATOM 0 HG2 ARG A 140 13.953 4.577 5.411 1.00 1.03 H new ATOM 0 HG3 ARG A 140 13.556 3.137 6.327 1.00 1.03 H new ATOM 0 HD2 ARG A 140 12.942 1.966 4.241 1.00 55.12 H new ATOM 0 HD3 ARG A 140 13.302 3.409 3.315 1.00 55.12 H new ATOM 0 HE ARG A 140 15.398 1.993 4.944 1.00 22.41 H new ATOM 0 HH11 ARG A 140 14.253 3.151 1.802 1.00 74.35 H new ATOM 0 HH12 ARG A 140 15.866 3.135 1.081 1.00 74.35 H new ATOM 0 HH21 ARG A 140 17.478 2.064 4.004 1.00 34.34 H new ATOM 0 HH22 ARG A 140 17.661 2.529 2.309 1.00 34.34 H new ATOM 2141 N ALA A 141 9.184 5.104 7.097 1.00 40.43 N ATOM 2142 CA ALA A 141 7.851 5.664 7.116 1.00 74.32 C ATOM 2143 C ALA A 141 7.840 6.925 7.982 1.00 5.21 C ATOM 2144 O ALA A 141 7.332 7.984 7.573 1.00 34.01 O ATOM 2145 CB ALA A 141 6.885 4.629 7.676 1.00 41.30 C ATOM 0 H ALA A 141 9.253 4.187 7.538 1.00 40.43 H new ATOM 0 HA ALA A 141 7.543 5.931 6.105 1.00 74.32 H new ATOM 0 HB1 ALA A 141 5.877 5.044 7.694 1.00 41.30 H new ATOM 0 HB2 ALA A 141 6.900 3.739 7.047 1.00 41.30 H new ATOM 0 HB3 ALA A 141 7.185 4.362 8.689 1.00 41.30 H new ATOM 2151 N GLN A 142 8.444 6.807 9.153 1.00 3.00 N ATOM 2152 CA GLN A 142 8.570 7.896 10.107 1.00 2.32 C ATOM 2153 C GLN A 142 9.386 9.031 9.514 1.00 62.14 C ATOM 2154 O GLN A 142 8.959 10.186 9.527 1.00 1.53 O ATOM 2155 CB GLN A 142 9.213 7.389 11.401 1.00 41.02 C ATOM 2156 CG GLN A 142 8.363 6.373 12.152 1.00 32.43 C ATOM 2157 CD GLN A 142 9.097 5.712 13.304 1.00 64.20 C ATOM 2158 OE1 GLN A 142 10.321 5.546 13.275 1.00 75.44 O ATOM 2159 NE2 GLN A 142 8.366 5.310 14.308 1.00 54.43 N ATOM 0 H GLN A 142 8.868 5.936 9.473 1.00 3.00 H new ATOM 0 HA GLN A 142 7.575 8.277 10.338 1.00 2.32 H new ATOM 0 HB2 GLN A 142 10.177 6.938 11.165 1.00 41.02 H new ATOM 0 HB3 GLN A 142 9.410 8.238 12.055 1.00 41.02 H new ATOM 0 HG2 GLN A 142 7.471 6.868 12.535 1.00 32.43 H new ATOM 0 HG3 GLN A 142 8.027 5.605 11.456 1.00 32.43 H new ATOM 0 HE21 GLN A 142 7.358 5.464 14.298 1.00 54.43 H new ATOM 0 HE22 GLN A 142 8.803 4.842 15.102 1.00 54.43 H new ATOM 2168 N ALA A 143 10.522 8.679 8.934 1.00 64.31 N ATOM 2169 CA ALA A 143 11.443 9.639 8.333 1.00 25.42 C ATOM 2170 C ALA A 143 10.862 10.298 7.091 1.00 22.44 C ATOM 2171 O ALA A 143 11.344 11.350 6.654 1.00 71.35 O ATOM 2172 CB ALA A 143 12.772 8.975 8.002 1.00 45.44 C ATOM 0 H ALA A 143 10.836 7.711 8.865 1.00 64.31 H new ATOM 0 HA ALA A 143 11.609 10.423 9.072 1.00 25.42 H new ATOM 0 HB1 ALA A 143 13.444 9.708 7.555 1.00 45.44 H new ATOM 0 HB2 ALA A 143 13.220 8.582 8.915 1.00 45.44 H new ATOM 0 HB3 ALA A 143 12.606 8.159 7.299 1.00 45.44 H new ATOM 2178 N MET A 144 9.859 9.679 6.510 1.00 25.41 N ATOM 2179 CA MET A 144 9.207 10.223 5.339 1.00 2.22 C ATOM 2180 C MET A 144 8.224 11.309 5.754 1.00 61.20 C ATOM 2181 O MET A 144 8.195 12.398 5.178 1.00 32.45 O ATOM 2182 CB MET A 144 8.469 9.118 4.564 1.00 34.44 C ATOM 2183 CG MET A 144 7.810 9.588 3.275 1.00 44.20 C ATOM 2184 SD MET A 144 9.003 10.196 2.067 1.00 54.14 S ATOM 2185 CE MET A 144 7.920 10.657 0.714 1.00 11.04 C ATOM 0 H MET A 144 9.474 8.791 6.832 1.00 25.41 H new ATOM 0 HA MET A 144 9.968 10.653 4.687 1.00 2.22 H new ATOM 0 HB2 MET A 144 9.176 8.323 4.328 1.00 34.44 H new ATOM 0 HB3 MET A 144 7.706 8.685 5.211 1.00 34.44 H new ATOM 0 HG2 MET A 144 7.245 8.764 2.839 1.00 44.20 H new ATOM 0 HG3 MET A 144 7.095 10.379 3.504 1.00 44.20 H new ATOM 0 HE1 MET A 144 8.511 10.814 -0.188 1.00 11.04 H new ATOM 0 HE2 MET A 144 7.196 9.861 0.540 1.00 11.04 H new ATOM 0 HE3 MET A 144 7.393 11.577 0.967 1.00 11.04 H new ATOM 2195 N ALA A 145 7.439 11.032 6.768 1.00 41.24 N ATOM 2196 CA ALA A 145 6.432 11.976 7.193 1.00 44.34 C ATOM 2197 C ALA A 145 6.996 13.066 8.083 1.00 71.23 C ATOM 2198 O ALA A 145 6.681 14.244 7.899 1.00 30.01 O ATOM 2199 CB ALA A 145 5.261 11.286 7.850 1.00 70.13 C ATOM 0 H ALA A 145 7.477 10.169 7.310 1.00 41.24 H new ATOM 0 HA ALA A 145 6.067 12.463 6.288 1.00 44.34 H new ATOM 0 HB1 ALA A 145 4.525 12.030 8.156 1.00 70.13 H new ATOM 0 HB2 ALA A 145 4.804 10.593 7.144 1.00 70.13 H new ATOM 0 HB3 ALA A 145 5.607 10.737 8.726 1.00 70.13 H new ATOM 2205 N TYR A 146 7.831 12.689 9.032 1.00 73.21 N ATOM 2206 CA TYR A 146 8.399 13.644 9.960 1.00 51.32 C ATOM 2207 C TYR A 146 9.859 13.328 10.150 1.00 11.12 C ATOM 2208 O TYR A 146 10.220 12.653 11.143 1.00 36.79 O ATOM 2209 CB TYR A 146 7.677 13.602 11.319 1.00 63.42 C ATOM 2210 CG TYR A 146 6.193 13.805 11.240 1.00 0.11 C ATOM 2211 CD1 TYR A 146 5.653 15.071 11.109 1.00 1.14 C ATOM 2212 CD2 TYR A 146 5.333 12.721 11.285 1.00 11.41 C ATOM 2213 CE1 TYR A 146 4.293 15.252 11.022 1.00 12.14 C ATOM 2214 CE2 TYR A 146 3.978 12.893 11.196 1.00 53.52 C ATOM 2215 CZ TYR A 146 3.464 14.157 11.068 1.00 42.01 C ATOM 2216 OH TYR A 146 2.114 14.326 10.989 1.00 14.31 O ATOM 2217 OXT TYR A 146 10.666 13.717 9.290 1.00 36.79 O ATOM 0 H TYR A 146 8.131 11.725 9.180 1.00 73.21 H new ATOM 0 HA TYR A 146 8.278 14.646 9.549 1.00 51.32 H new ATOM 0 HB2 TYR A 146 7.875 12.640 11.792 1.00 63.42 H new ATOM 0 HB3 TYR A 146 8.102 14.369 11.966 1.00 63.42 H new ATOM 0 HD1 TYR A 146 6.308 15.929 11.075 1.00 1.14 H new ATOM 0 HD2 TYR A 146 5.737 11.725 11.392 1.00 11.41 H new ATOM 0 HE1 TYR A 146 3.880 16.245 10.919 1.00 12.14 H new ATOM 0 HE2 TYR A 146 3.318 12.038 11.226 1.00 53.52 H new ATOM 0 HH TYR A 146 1.663 13.536 11.355 1.00 14.31 H new