USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 748 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 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 74 CYS SG : rot 78:sc= 0.218 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -162:sc= 1.05 (180deg=0.589) USER MOD Single : A 30 MET CE :methyl 144:sc= -0.779 (180deg=-3.21!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 21:sc= 1.27 USER MOD Single : A 39 THR OG1 : rot 89:sc= 1.32 USER MOD Single : A 45 MET CE :methyl -168:sc= -0.257 (180deg=-0.487) USER MOD Single : A 47 LYS NZ :NH3+ 157:sc= 1.23 (180deg=0.565) USER MOD Single : A 49 LYS NZ :NH3+ 151:sc= 1.28 (180deg=1.07) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 162:sc= 0.17 (180deg=0.082) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -159:sc= 1.26 (180deg=1.19) USER MOD Single : A 78 MET CE :methyl 172:sc=-0.00267 (180deg=-0.0239) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 171:sc= 1.13 (180deg=0.89) USER MOD Single : A 98 SER OG : rot 136:sc= 2.2 USER MOD Single : A 109 THR OG1 : rot 100:sc= 1.89 USER MOD Single : A 110 GLN : amide:sc= -0.412 X(o=-0.41,f=-0.37) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 217 N ILE A 14 -6.465 7.584 -4.895 1.00 0.00 N ATOM 218 CA ILE A 14 -6.111 7.617 -6.305 1.00 0.00 C ATOM 219 C ILE A 14 -7.121 6.758 -7.066 1.00 0.00 C ATOM 220 O ILE A 14 -7.753 7.240 -8.010 1.00 0.00 O ATOM 221 CB ILE A 14 -4.640 7.158 -6.467 1.00 0.00 C ATOM 222 CG1 ILE A 14 -3.699 8.259 -5.920 1.00 0.00 C ATOM 223 CG2 ILE A 14 -4.295 6.810 -7.924 1.00 0.00 C ATOM 224 CD1 ILE A 14 -2.288 7.774 -5.587 1.00 0.00 C ATOM 0 HA ILE A 14 -6.163 8.622 -6.724 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.503 6.242 -5.892 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.631 9.060 -6.656 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.144 8.688 -5.022 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.254 6.494 -7.986 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.940 6.002 -8.268 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.446 7.687 -8.553 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.696 8.608 -5.211 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.341 6.995 -4.827 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.820 7.373 -6.486 1.00 0.00 H new ATOM 236 N GLU A 15 -7.302 5.509 -6.633 1.00 0.00 N ATOM 237 CA GLU A 15 -8.169 4.560 -7.310 1.00 0.00 C ATOM 238 C GLU A 15 -9.622 5.051 -7.350 1.00 0.00 C ATOM 239 O GLU A 15 -10.271 4.906 -8.385 1.00 0.00 O ATOM 240 CB GLU A 15 -8.046 3.190 -6.623 1.00 0.00 C ATOM 241 CG GLU A 15 -8.971 2.132 -7.237 1.00 0.00 C ATOM 242 CD GLU A 15 -8.704 0.736 -6.647 1.00 0.00 C ATOM 243 OE1 GLU A 15 -9.331 0.369 -5.627 1.00 0.00 O ATOM 244 OE2 GLU A 15 -7.885 -0.024 -7.213 1.00 0.00 O ATOM 0 H GLU A 15 -6.848 5.132 -5.801 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.852 4.464 -8.349 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.014 2.846 -6.690 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.278 3.298 -5.563 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.010 2.410 -7.061 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.827 2.105 -8.317 1.00 0.00 H new ATOM 251 N THR A 16 -10.134 5.635 -6.262 1.00 0.00 N ATOM 252 CA THR A 16 -11.555 5.956 -6.139 1.00 0.00 C ATOM 253 C THR A 16 -11.892 7.401 -6.546 1.00 0.00 C ATOM 254 O THR A 16 -13.075 7.738 -6.627 1.00 0.00 O ATOM 255 CB THR A 16 -12.040 5.612 -4.714 1.00 0.00 C ATOM 256 OG1 THR A 16 -11.272 6.255 -3.711 1.00 0.00 O ATOM 257 CG2 THR A 16 -11.954 4.103 -4.450 1.00 0.00 C ATOM 0 H THR A 16 -9.577 5.896 -5.448 1.00 0.00 H new ATOM 0 HA THR A 16 -12.100 5.339 -6.853 1.00 0.00 H new ATOM 0 HB THR A 16 -13.072 5.959 -4.665 1.00 0.00 H new ATOM 0 HG1 THR A 16 -11.617 6.009 -2.827 1.00 0.00 H new ATOM 0 HG21 THR A 16 -12.302 3.890 -3.439 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.579 3.572 -5.168 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.920 3.774 -4.555 1.00 0.00 H new ATOM 265 N GLU A 17 -10.892 8.251 -6.825 1.00 0.00 N ATOM 266 CA GLU A 17 -11.118 9.689 -7.003 1.00 0.00 C ATOM 267 C GLU A 17 -10.315 10.312 -8.154 1.00 0.00 C ATOM 268 O GLU A 17 -10.708 11.372 -8.643 1.00 0.00 O ATOM 269 CB GLU A 17 -10.804 10.394 -5.670 1.00 0.00 C ATOM 270 CG GLU A 17 -11.594 11.685 -5.437 1.00 0.00 C ATOM 271 CD GLU A 17 -11.196 12.301 -4.089 1.00 0.00 C ATOM 272 OE1 GLU A 17 -11.539 11.734 -3.029 1.00 0.00 O ATOM 273 OE2 GLU A 17 -10.495 13.336 -4.055 1.00 0.00 O ATOM 0 H GLU A 17 -9.919 7.965 -6.932 1.00 0.00 H new ATOM 0 HA GLU A 17 -12.162 9.828 -7.284 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.008 9.704 -4.851 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.739 10.623 -5.636 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -11.398 12.393 -6.243 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.664 11.475 -5.450 1.00 0.00 H new ATOM 280 N ILE A 18 -9.233 9.676 -8.626 1.00 0.00 N ATOM 281 CA ILE A 18 -8.305 10.292 -9.584 1.00 0.00 C ATOM 282 C ILE A 18 -8.303 9.495 -10.890 1.00 0.00 C ATOM 283 O ILE A 18 -8.413 10.092 -11.960 1.00 0.00 O ATOM 284 CB ILE A 18 -6.895 10.451 -8.957 1.00 0.00 C ATOM 285 CG1 ILE A 18 -7.001 11.228 -7.620 1.00 0.00 C ATOM 286 CG2 ILE A 18 -5.931 11.150 -9.934 1.00 0.00 C ATOM 287 CD1 ILE A 18 -5.674 11.618 -6.964 1.00 0.00 C ATOM 0 H ILE A 18 -8.978 8.726 -8.356 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.640 11.300 -9.828 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.487 9.461 -8.753 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -7.578 12.136 -7.795 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.568 10.621 -6.914 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.950 11.249 -9.469 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.843 10.558 -10.845 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.317 12.139 -10.181 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.871 12.156 -6.037 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.098 10.719 -6.746 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.107 12.257 -7.641 1.00 0.00 H new ATOM 299 N ILE A 19 -8.262 8.161 -10.821 1.00 0.00 N ATOM 300 CA ILE A 19 -8.262 7.287 -11.999 1.00 0.00 C ATOM 301 C ILE A 19 -9.493 6.368 -12.026 1.00 0.00 C ATOM 302 O ILE A 19 -9.543 5.419 -12.804 1.00 0.00 O ATOM 303 CB ILE A 19 -6.916 6.560 -12.122 1.00 0.00 C ATOM 304 CG1 ILE A 19 -6.654 5.696 -10.878 1.00 0.00 C ATOM 305 CG2 ILE A 19 -5.791 7.581 -12.392 1.00 0.00 C ATOM 306 CD1 ILE A 19 -5.429 4.824 -11.077 1.00 0.00 C ATOM 0 H ILE A 19 -8.228 7.652 -9.938 1.00 0.00 H new ATOM 0 HA ILE A 19 -8.359 7.894 -12.899 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.943 5.878 -12.972 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.512 6.337 -10.008 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -7.523 5.070 -10.675 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.838 7.058 -12.478 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.998 8.114 -13.320 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.741 8.293 -11.569 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.263 4.221 -10.184 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.584 4.168 -11.934 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.558 5.455 -11.256 1.00 0.00 H new ATOM 318 N VAL A 20 -10.505 6.660 -11.204 1.00 0.00 N ATOM 319 CA VAL A 20 -11.751 5.898 -11.123 1.00 0.00 C ATOM 320 C VAL A 20 -12.447 5.776 -12.489 1.00 0.00 C ATOM 321 O VAL A 20 -13.030 4.735 -12.796 1.00 0.00 O ATOM 322 CB VAL A 20 -12.640 6.527 -10.026 1.00 0.00 C ATOM 323 CG1 VAL A 20 -13.151 7.938 -10.359 1.00 0.00 C ATOM 324 CG2 VAL A 20 -13.814 5.620 -9.637 1.00 0.00 C ATOM 0 H VAL A 20 -10.478 7.452 -10.562 1.00 0.00 H new ATOM 0 HA VAL A 20 -11.537 4.868 -10.839 1.00 0.00 H new ATOM 0 HB VAL A 20 -11.974 6.629 -9.169 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -13.766 8.305 -9.538 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -12.303 8.607 -10.505 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -13.747 7.903 -11.271 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -14.409 6.106 -8.863 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -14.437 5.436 -10.512 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -13.432 4.672 -9.259 1.00 0.00 H new ATOM 334 N ASP A 21 -12.360 6.818 -13.325 1.00 0.00 N ATOM 335 CA ASP A 21 -12.995 6.863 -14.645 1.00 0.00 C ATOM 336 C ASP A 21 -12.083 6.294 -15.745 1.00 0.00 C ATOM 337 O ASP A 21 -12.523 6.093 -16.878 1.00 0.00 O ATOM 338 CB ASP A 21 -13.366 8.319 -14.959 1.00 0.00 C ATOM 339 CG ASP A 21 -14.140 8.460 -16.282 1.00 0.00 C ATOM 340 OD1 ASP A 21 -15.274 7.938 -16.386 1.00 0.00 O ATOM 341 OD2 ASP A 21 -13.650 9.151 -17.204 1.00 0.00 O ATOM 0 H ASP A 21 -11.839 7.665 -13.099 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.888 6.239 -14.623 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.969 8.720 -14.145 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.457 8.919 -15.008 1.00 0.00 H new ATOM 346 N ALA A 22 -10.806 6.046 -15.430 1.00 0.00 N ATOM 347 CA ALA A 22 -9.806 5.606 -16.394 1.00 0.00 C ATOM 348 C ALA A 22 -9.927 4.103 -16.691 1.00 0.00 C ATOM 349 O ALA A 22 -10.649 3.374 -16.005 1.00 0.00 O ATOM 350 CB ALA A 22 -8.408 5.942 -15.864 1.00 0.00 C ATOM 0 H ALA A 22 -10.439 6.149 -14.484 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.976 6.133 -17.333 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.658 5.614 -16.583 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.324 7.019 -15.717 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.247 5.433 -14.914 1.00 0.00 H new ATOM 356 N GLU A 23 -9.169 3.635 -17.690 1.00 0.00 N ATOM 357 CA GLU A 23 -9.146 2.234 -18.116 1.00 0.00 C ATOM 358 C GLU A 23 -7.715 1.779 -18.423 1.00 0.00 C ATOM 359 O GLU A 23 -7.317 0.696 -17.994 1.00 0.00 O ATOM 360 CB GLU A 23 -10.033 2.035 -19.360 1.00 0.00 C ATOM 361 CG GLU A 23 -11.528 2.265 -19.089 1.00 0.00 C ATOM 362 CD GLU A 23 -12.383 1.916 -20.321 1.00 0.00 C ATOM 363 OE1 GLU A 23 -12.621 2.798 -21.178 1.00 0.00 O ATOM 364 OE2 GLU A 23 -12.846 0.758 -20.439 1.00 0.00 O ATOM 0 H GLU A 23 -8.544 4.231 -18.233 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.537 1.629 -17.298 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.705 2.718 -20.144 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.892 1.023 -19.739 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.843 1.657 -18.241 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.693 3.306 -18.813 1.00 0.00 H new ATOM 371 N ASP A 24 -6.905 2.609 -19.092 1.00 0.00 N ATOM 372 CA ASP A 24 -5.547 2.269 -19.535 1.00 0.00 C ATOM 373 C ASP A 24 -4.641 3.487 -19.366 1.00 0.00 C ATOM 374 O ASP A 24 -5.134 4.572 -19.060 1.00 0.00 O ATOM 375 CB ASP A 24 -5.571 1.793 -20.997 1.00 0.00 C ATOM 376 CG ASP A 24 -4.295 1.055 -21.431 1.00 0.00 C ATOM 377 OD1 ASP A 24 -3.437 0.736 -20.582 1.00 0.00 O ATOM 378 OD2 ASP A 24 -4.113 0.825 -22.647 1.00 0.00 O ATOM 0 H ASP A 24 -7.182 3.557 -19.346 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.154 1.455 -18.926 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.427 1.134 -21.140 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.720 2.655 -21.647 1.00 0.00 H new ATOM 383 N LYS A 25 -3.332 3.332 -19.571 1.00 0.00 N ATOM 384 CA LYS A 25 -2.309 4.329 -19.235 1.00 0.00 C ATOM 385 C LYS A 25 -2.610 5.750 -19.711 1.00 0.00 C ATOM 386 O LYS A 25 -2.343 6.697 -18.974 1.00 0.00 O ATOM 387 CB LYS A 25 -0.896 3.861 -19.649 1.00 0.00 C ATOM 388 CG LYS A 25 -0.497 3.969 -21.137 1.00 0.00 C ATOM 389 CD LYS A 25 -1.156 2.978 -22.107 1.00 0.00 C ATOM 390 CE LYS A 25 -0.688 1.537 -21.849 1.00 0.00 C ATOM 391 NZ LYS A 25 -1.313 0.573 -22.787 1.00 0.00 N ATOM 0 H LYS A 25 -2.941 2.487 -19.987 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.337 4.400 -18.148 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.173 4.433 -19.068 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.790 2.818 -19.351 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.726 4.979 -21.477 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.584 3.846 -21.208 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.240 3.033 -22.004 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.919 3.260 -23.133 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.396 1.485 -21.945 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.931 1.255 -20.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.224 -0.390 -22.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.320 0.807 -22.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.835 0.626 -23.709 1.00 0.00 H new ATOM 405 N GLU A 26 -3.181 5.910 -20.907 1.00 0.00 N ATOM 406 CA GLU A 26 -3.478 7.233 -21.451 1.00 0.00 C ATOM 407 C GLU A 26 -4.623 7.861 -20.655 1.00 0.00 C ATOM 408 O GLU A 26 -4.546 9.018 -20.247 1.00 0.00 O ATOM 409 CB GLU A 26 -3.841 7.124 -22.942 1.00 0.00 C ATOM 410 CG GLU A 26 -2.636 6.709 -23.799 1.00 0.00 C ATOM 411 CD GLU A 26 -2.996 6.658 -25.295 1.00 0.00 C ATOM 412 OE1 GLU A 26 -3.489 5.611 -25.773 1.00 0.00 O ATOM 413 OE2 GLU A 26 -2.769 7.656 -26.016 1.00 0.00 O ATOM 0 H GLU A 26 -3.447 5.137 -21.517 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.598 7.870 -21.365 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.643 6.396 -23.068 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.223 8.083 -23.293 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.819 7.414 -23.645 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.279 5.731 -23.476 1.00 0.00 H new ATOM 420 N GLU A 27 -5.665 7.079 -20.369 1.00 0.00 N ATOM 421 CA GLU A 27 -6.813 7.537 -19.600 1.00 0.00 C ATOM 422 C GLU A 27 -6.405 7.800 -18.148 1.00 0.00 C ATOM 423 O GLU A 27 -6.909 8.730 -17.525 1.00 0.00 O ATOM 424 CB GLU A 27 -7.943 6.497 -19.661 1.00 0.00 C ATOM 425 CG GLU A 27 -8.365 6.093 -21.083 1.00 0.00 C ATOM 426 CD GLU A 27 -8.804 7.288 -21.952 1.00 0.00 C ATOM 427 OE1 GLU A 27 -9.721 8.038 -21.549 1.00 0.00 O ATOM 428 OE2 GLU A 27 -8.261 7.466 -23.065 1.00 0.00 O ATOM 0 H GLU A 27 -5.732 6.106 -20.668 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.177 8.469 -20.033 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.626 5.604 -19.123 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.813 6.894 -19.137 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.533 5.584 -21.571 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.185 5.377 -21.022 1.00 0.00 H new ATOM 435 N ARG A 28 -5.477 7.008 -17.599 1.00 0.00 N ATOM 436 CA ARG A 28 -4.997 7.184 -16.227 1.00 0.00 C ATOM 437 C ARG A 28 -4.184 8.471 -16.129 1.00 0.00 C ATOM 438 O ARG A 28 -4.386 9.239 -15.188 1.00 0.00 O ATOM 439 CB ARG A 28 -4.187 5.955 -15.778 1.00 0.00 C ATOM 440 CG ARG A 28 -5.035 4.669 -15.722 1.00 0.00 C ATOM 441 CD ARG A 28 -4.171 3.418 -15.534 1.00 0.00 C ATOM 442 NE ARG A 28 -4.855 2.198 -16.001 1.00 0.00 N ATOM 443 CZ ARG A 28 -4.308 0.976 -16.048 1.00 0.00 C ATOM 444 NH1 ARG A 28 -3.074 0.771 -15.591 1.00 0.00 N ATOM 445 NH2 ARG A 28 -4.999 -0.035 -16.564 1.00 0.00 N ATOM 0 H ARG A 28 -5.040 6.230 -18.093 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.848 7.271 -15.551 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.353 5.805 -16.463 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.760 6.147 -14.793 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.750 4.742 -14.903 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.613 4.576 -16.642 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.234 3.539 -16.078 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.915 3.309 -14.480 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.822 2.292 -16.313 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.539 1.547 -15.202 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.664 -0.162 -15.630 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.941 0.121 -16.922 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.587 -0.967 -16.602 1.00 0.00 H new ATOM 459 N ALA A 29 -3.328 8.752 -17.117 1.00 0.00 N ATOM 460 CA ALA A 29 -2.612 10.017 -17.198 1.00 0.00 C ATOM 461 C ALA A 29 -3.605 11.181 -17.286 1.00 0.00 C ATOM 462 O ALA A 29 -3.436 12.178 -16.587 1.00 0.00 O ATOM 463 CB ALA A 29 -1.658 9.997 -18.398 1.00 0.00 C ATOM 0 H ALA A 29 -3.116 8.107 -17.878 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.017 10.158 -16.296 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.124 10.946 -18.454 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.941 9.184 -18.280 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.229 9.847 -19.314 1.00 0.00 H new ATOM 469 N MET A 30 -4.671 11.050 -18.083 1.00 0.00 N ATOM 470 CA MET A 30 -5.721 12.064 -18.147 1.00 0.00 C ATOM 471 C MET A 30 -6.450 12.218 -16.811 1.00 0.00 C ATOM 472 O MET A 30 -6.731 13.347 -16.418 1.00 0.00 O ATOM 473 CB MET A 30 -6.692 11.790 -19.299 1.00 0.00 C ATOM 474 CG MET A 30 -6.049 11.993 -20.679 1.00 0.00 C ATOM 475 SD MET A 30 -5.524 13.684 -21.096 1.00 0.00 S ATOM 476 CE MET A 30 -3.816 13.735 -20.471 1.00 0.00 C ATOM 0 H MET A 30 -4.827 10.248 -18.693 1.00 0.00 H new ATOM 0 HA MET A 30 -5.236 13.019 -18.351 1.00 0.00 H new ATOM 0 HB2 MET A 30 -7.061 10.767 -19.222 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.556 12.448 -19.205 1.00 0.00 H new ATOM 0 HG2 MET A 30 -5.179 11.340 -20.748 1.00 0.00 H new ATOM 0 HG3 MET A 30 -6.758 11.660 -21.437 1.00 0.00 H new ATOM 0 HE1 MET A 30 -3.202 14.337 -21.140 1.00 0.00 H new ATOM 0 HE2 MET A 30 -3.806 14.176 -19.474 1.00 0.00 H new ATOM 0 HE3 MET A 30 -3.415 12.722 -20.424 1.00 0.00 H new ATOM 486 N GLY A 31 -6.701 11.132 -16.078 1.00 0.00 N ATOM 487 CA GLY A 31 -7.300 11.184 -14.751 1.00 0.00 C ATOM 488 C GLY A 31 -6.467 12.052 -13.807 1.00 0.00 C ATOM 489 O GLY A 31 -6.989 13.000 -13.214 1.00 0.00 O ATOM 0 H GLY A 31 -6.491 10.185 -16.395 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.312 11.584 -14.820 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.383 10.176 -14.346 1.00 0.00 H new ATOM 493 N TRP A 32 -5.156 11.789 -13.737 1.00 0.00 N ATOM 494 CA TRP A 32 -4.226 12.615 -12.975 1.00 0.00 C ATOM 495 C TRP A 32 -4.262 14.070 -13.450 1.00 0.00 C ATOM 496 O TRP A 32 -4.399 14.976 -12.627 1.00 0.00 O ATOM 497 CB TRP A 32 -2.800 12.054 -13.085 1.00 0.00 C ATOM 498 CG TRP A 32 -2.483 10.925 -12.158 1.00 0.00 C ATOM 499 CD1 TRP A 32 -2.396 9.614 -12.478 1.00 0.00 C ATOM 500 CD2 TRP A 32 -2.165 11.007 -10.737 1.00 0.00 C ATOM 501 NE1 TRP A 32 -2.048 8.881 -11.361 1.00 0.00 N ATOM 502 CE2 TRP A 32 -1.906 9.690 -10.252 1.00 0.00 C ATOM 503 CE3 TRP A 32 -2.066 12.069 -9.812 1.00 0.00 C ATOM 504 CZ2 TRP A 32 -1.579 9.445 -8.911 1.00 0.00 C ATOM 505 CZ3 TRP A 32 -1.722 11.833 -8.468 1.00 0.00 C ATOM 506 CH2 TRP A 32 -1.480 10.524 -8.017 1.00 0.00 C ATOM 0 H TRP A 32 -4.716 10.998 -14.208 1.00 0.00 H new ATOM 0 HA TRP A 32 -4.535 12.593 -11.930 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -2.638 11.718 -14.109 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -2.094 12.863 -12.900 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.572 9.202 -13.461 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.913 7.870 -11.356 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.258 13.080 -10.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.405 8.436 -8.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.644 12.662 -7.780 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -1.218 10.348 -6.984 1.00 0.00 H new ATOM 517 N TYR A 33 -4.165 14.294 -14.762 1.00 0.00 N ATOM 518 CA TYR A 33 -4.079 15.621 -15.351 1.00 0.00 C ATOM 519 C TYR A 33 -5.313 16.451 -15.006 1.00 0.00 C ATOM 520 O TYR A 33 -5.168 17.588 -14.559 1.00 0.00 O ATOM 521 CB TYR A 33 -3.897 15.467 -16.867 1.00 0.00 C ATOM 522 CG TYR A 33 -4.176 16.702 -17.703 1.00 0.00 C ATOM 523 CD1 TYR A 33 -3.496 17.909 -17.460 1.00 0.00 C ATOM 524 CD2 TYR A 33 -5.150 16.645 -18.716 1.00 0.00 C ATOM 525 CE1 TYR A 33 -3.801 19.054 -18.215 1.00 0.00 C ATOM 526 CE2 TYR A 33 -5.474 17.791 -19.460 1.00 0.00 C ATOM 527 CZ TYR A 33 -4.794 19.005 -19.217 1.00 0.00 C ATOM 528 OH TYR A 33 -5.094 20.130 -19.928 1.00 0.00 O ATOM 0 H TYR A 33 -4.144 13.543 -15.452 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.222 16.158 -14.943 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.873 15.148 -17.059 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.550 14.665 -17.211 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.738 17.956 -16.692 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -5.653 15.712 -18.923 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -3.273 19.977 -18.028 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.242 17.744 -20.217 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.798 19.927 -20.579 1.00 0.00 H new ATOM 538 N TYR A 34 -6.517 15.892 -15.163 1.00 0.00 N ATOM 539 CA TYR A 34 -7.754 16.610 -14.901 1.00 0.00 C ATOM 540 C TYR A 34 -7.866 16.940 -13.412 1.00 0.00 C ATOM 541 O TYR A 34 -8.226 18.063 -13.063 1.00 0.00 O ATOM 542 CB TYR A 34 -8.964 15.768 -15.339 1.00 0.00 C ATOM 543 CG TYR A 34 -9.086 15.363 -16.805 1.00 0.00 C ATOM 544 CD1 TYR A 34 -8.343 15.981 -17.835 1.00 0.00 C ATOM 545 CD2 TYR A 34 -9.996 14.337 -17.132 1.00 0.00 C ATOM 546 CE1 TYR A 34 -8.524 15.583 -19.173 1.00 0.00 C ATOM 547 CE2 TYR A 34 -10.177 13.932 -18.465 1.00 0.00 C ATOM 548 CZ TYR A 34 -9.443 14.559 -19.496 1.00 0.00 C ATOM 549 OH TYR A 34 -9.606 14.186 -20.797 1.00 0.00 O ATOM 0 H TYR A 34 -6.654 14.931 -15.475 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.743 17.538 -15.473 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.964 14.855 -14.743 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.865 16.322 -15.074 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.635 16.760 -17.596 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.561 13.856 -16.347 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.957 16.063 -19.957 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -10.876 13.143 -18.701 1.00 0.00 H new ATOM 0 HH TYR A 34 -10.272 13.469 -20.851 1.00 0.00 H new ATOM 559 N TYR A 35 -7.550 15.983 -12.532 1.00 0.00 N ATOM 560 CA TYR A 35 -7.660 16.172 -11.091 1.00 0.00 C ATOM 561 C TYR A 35 -6.706 17.274 -10.621 1.00 0.00 C ATOM 562 O TYR A 35 -7.104 18.162 -9.864 1.00 0.00 O ATOM 563 CB TYR A 35 -7.374 14.834 -10.397 1.00 0.00 C ATOM 564 CG TYR A 35 -7.624 14.821 -8.901 1.00 0.00 C ATOM 565 CD1 TYR A 35 -8.915 14.555 -8.405 1.00 0.00 C ATOM 566 CD2 TYR A 35 -6.559 15.024 -8.003 1.00 0.00 C ATOM 567 CE1 TYR A 35 -9.135 14.463 -7.019 1.00 0.00 C ATOM 568 CE2 TYR A 35 -6.774 14.944 -6.616 1.00 0.00 C ATOM 569 CZ TYR A 35 -8.061 14.641 -6.116 1.00 0.00 C ATOM 570 OH TYR A 35 -8.247 14.497 -4.775 1.00 0.00 O ATOM 0 H TYR A 35 -7.212 15.060 -12.803 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.668 16.494 -10.830 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.990 14.063 -10.860 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.334 14.563 -10.579 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -9.738 14.421 -9.091 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.571 15.242 -8.382 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -10.126 14.256 -6.643 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -5.956 15.114 -5.932 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.051 13.961 -4.612 1.00 0.00 H new ATOM 580 N LEU A 36 -5.457 17.257 -11.096 1.00 0.00 N ATOM 581 CA LEU A 36 -4.460 18.259 -10.744 1.00 0.00 C ATOM 582 C LEU A 36 -4.864 19.613 -11.313 1.00 0.00 C ATOM 583 O LEU A 36 -4.847 20.591 -10.572 1.00 0.00 O ATOM 584 CB LEU A 36 -3.070 17.832 -11.250 1.00 0.00 C ATOM 585 CG LEU A 36 -2.215 17.089 -10.202 1.00 0.00 C ATOM 586 CD1 LEU A 36 -2.945 15.973 -9.444 1.00 0.00 C ATOM 587 CD2 LEU A 36 -1.000 16.479 -10.905 1.00 0.00 C ATOM 0 H LEU A 36 -5.113 16.543 -11.738 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.406 18.347 -9.659 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.195 17.190 -12.122 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.529 18.718 -11.582 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.942 17.835 -9.456 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.262 15.511 -8.731 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.798 16.393 -8.910 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.295 15.221 -10.151 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.386 15.950 -10.176 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.336 15.781 -11.672 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.412 17.271 -11.368 1.00 0.00 H new ATOM 599 N ASP A 37 -5.281 19.685 -12.579 1.00 0.00 N ATOM 600 CA ASP A 37 -5.715 20.942 -13.183 1.00 0.00 C ATOM 601 C ASP A 37 -6.909 21.552 -12.444 1.00 0.00 C ATOM 602 O ASP A 37 -7.002 22.774 -12.327 1.00 0.00 O ATOM 603 CB ASP A 37 -6.063 20.740 -14.661 1.00 0.00 C ATOM 604 CG ASP A 37 -6.510 22.063 -15.301 1.00 0.00 C ATOM 605 OD1 ASP A 37 -5.654 22.949 -15.517 1.00 0.00 O ATOM 606 OD2 ASP A 37 -7.711 22.209 -15.622 1.00 0.00 O ATOM 0 H ASP A 37 -5.326 18.882 -13.207 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.881 21.640 -13.102 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.196 20.348 -15.193 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.857 19.999 -14.755 1.00 0.00 H new ATOM 611 N ASP A 38 -7.799 20.714 -11.904 1.00 0.00 N ATOM 612 CA ASP A 38 -8.950 21.165 -11.122 1.00 0.00 C ATOM 613 C ASP A 38 -8.557 21.609 -9.707 1.00 0.00 C ATOM 614 O ASP A 38 -9.249 22.436 -9.110 1.00 0.00 O ATOM 615 CB ASP A 38 -9.992 20.043 -11.040 1.00 0.00 C ATOM 616 CG ASP A 38 -11.230 20.477 -10.237 1.00 0.00 C ATOM 617 OD1 ASP A 38 -12.008 21.324 -10.731 1.00 0.00 O ATOM 618 OD2 ASP A 38 -11.463 19.938 -9.132 1.00 0.00 O ATOM 0 H ASP A 38 -7.740 19.700 -11.998 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.370 22.032 -11.632 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -10.294 19.752 -12.046 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -9.545 19.164 -10.575 1.00 0.00 H new ATOM 623 N THR A 39 -7.451 21.090 -9.167 1.00 0.00 N ATOM 624 CA THR A 39 -7.092 21.282 -7.763 1.00 0.00 C ATOM 625 C THR A 39 -6.098 22.432 -7.587 1.00 0.00 C ATOM 626 O THR A 39 -6.265 23.259 -6.690 1.00 0.00 O ATOM 627 CB THR A 39 -6.507 19.970 -7.209 1.00 0.00 C ATOM 628 OG1 THR A 39 -7.457 18.929 -7.310 1.00 0.00 O ATOM 629 CG2 THR A 39 -6.082 20.117 -5.744 1.00 0.00 C ATOM 0 H THR A 39 -6.782 20.526 -9.691 1.00 0.00 H new ATOM 0 HA THR A 39 -7.991 21.548 -7.206 1.00 0.00 H new ATOM 0 HB THR A 39 -5.627 19.730 -7.805 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.369 18.489 -8.181 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.674 19.171 -5.387 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.322 20.894 -5.662 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.947 20.390 -5.140 1.00 0.00 H new ATOM 637 N LEU A 40 -5.050 22.462 -8.411 1.00 0.00 N ATOM 638 CA LEU A 40 -3.912 23.357 -8.255 1.00 0.00 C ATOM 639 C LEU A 40 -4.397 24.793 -8.469 1.00 0.00 C ATOM 640 O LEU A 40 -4.952 25.112 -9.523 1.00 0.00 O ATOM 641 CB LEU A 40 -2.822 22.968 -9.271 1.00 0.00 C ATOM 642 CG LEU A 40 -2.188 21.573 -9.055 1.00 0.00 C ATOM 643 CD1 LEU A 40 -1.393 21.138 -10.289 1.00 0.00 C ATOM 644 CD2 LEU A 40 -1.250 21.506 -7.856 1.00 0.00 C ATOM 0 H LEU A 40 -4.971 21.849 -9.223 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.482 23.279 -7.257 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.252 23.003 -10.272 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.032 23.718 -9.237 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.031 20.907 -8.871 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.957 20.155 -10.113 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.057 21.091 -11.152 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.598 21.858 -10.482 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.844 20.498 -7.768 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.434 22.216 -7.992 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.800 21.756 -6.949 1.00 0.00 H new ATOM 656 N GLU A 41 -4.209 25.662 -7.474 1.00 0.00 N ATOM 657 CA GLU A 41 -4.715 27.034 -7.481 1.00 0.00 C ATOM 658 C GLU A 41 -3.742 27.948 -8.240 1.00 0.00 C ATOM 659 O GLU A 41 -3.112 28.841 -7.669 1.00 0.00 O ATOM 660 CB GLU A 41 -5.027 27.533 -6.056 1.00 0.00 C ATOM 661 CG GLU A 41 -6.163 26.735 -5.392 1.00 0.00 C ATOM 662 CD GLU A 41 -6.746 27.403 -4.126 1.00 0.00 C ATOM 663 OE1 GLU A 41 -6.117 28.297 -3.514 1.00 0.00 O ATOM 664 OE2 GLU A 41 -7.892 27.060 -3.748 1.00 0.00 O ATOM 0 H GLU A 41 -3.692 25.427 -6.627 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.666 27.058 -8.013 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.129 27.460 -5.443 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.301 28.587 -6.095 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.965 26.593 -6.117 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.792 25.745 -5.129 1.00 0.00 H new ATOM 671 N PHE A 42 -3.572 27.681 -9.536 1.00 0.00 N ATOM 672 CA PHE A 42 -2.731 28.470 -10.428 1.00 0.00 C ATOM 673 C PHE A 42 -3.213 29.930 -10.550 1.00 0.00 C ATOM 674 O PHE A 42 -4.409 30.188 -10.374 1.00 0.00 O ATOM 675 CB PHE A 42 -2.758 27.852 -11.828 1.00 0.00 C ATOM 676 CG PHE A 42 -2.376 26.393 -11.924 1.00 0.00 C ATOM 677 CD1 PHE A 42 -1.075 25.994 -11.576 1.00 0.00 C ATOM 678 CD2 PHE A 42 -3.274 25.457 -12.468 1.00 0.00 C ATOM 679 CE1 PHE A 42 -0.642 24.685 -11.838 1.00 0.00 C ATOM 680 CE2 PHE A 42 -2.848 24.144 -12.716 1.00 0.00 C ATOM 681 CZ PHE A 42 -1.526 23.765 -12.422 1.00 0.00 C ATOM 0 H PHE A 42 -4.025 26.894 -10.001 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.726 28.468 -10.005 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -3.762 27.970 -12.235 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -2.086 28.424 -12.467 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -0.405 26.698 -11.105 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.289 25.749 -12.694 1.00 0.00 H new ATOM 0 HE1 PHE A 42 0.366 24.387 -11.591 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.536 23.423 -13.133 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.190 22.763 -12.646 1.00 0.00 H new ATOM 691 N PRO A 43 -2.334 30.878 -10.934 1.00 0.00 N ATOM 692 CA PRO A 43 -0.885 30.714 -11.049 1.00 0.00 C ATOM 693 C PRO A 43 -0.282 30.623 -9.641 1.00 0.00 C ATOM 694 O PRO A 43 -0.837 31.200 -8.700 1.00 0.00 O ATOM 695 CB PRO A 43 -0.400 31.963 -11.792 1.00 0.00 C ATOM 696 CG PRO A 43 -1.415 33.035 -11.401 1.00 0.00 C ATOM 697 CD PRO A 43 -2.716 32.247 -11.253 1.00 0.00 C ATOM 0 HA PRO A 43 -0.592 29.809 -11.582 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.611 32.240 -11.492 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.380 31.805 -12.870 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -1.138 33.532 -10.472 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -1.498 33.809 -12.164 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.339 32.670 -10.465 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -3.299 32.283 -12.173 1.00 0.00 H new ATOM 705 N PHE A 44 0.848 29.927 -9.476 1.00 0.00 N ATOM 706 CA PHE A 44 1.528 29.894 -8.176 1.00 0.00 C ATOM 707 C PHE A 44 3.042 29.937 -8.356 1.00 0.00 C ATOM 708 O PHE A 44 3.550 29.614 -9.423 1.00 0.00 O ATOM 709 CB PHE A 44 1.048 28.700 -7.324 1.00 0.00 C ATOM 710 CG PHE A 44 1.424 27.303 -7.795 1.00 0.00 C ATOM 711 CD1 PHE A 44 2.741 26.843 -7.625 1.00 0.00 C ATOM 712 CD2 PHE A 44 0.456 26.429 -8.327 1.00 0.00 C ATOM 713 CE1 PHE A 44 3.111 25.546 -8.007 1.00 0.00 C ATOM 714 CE2 PHE A 44 0.819 25.118 -8.692 1.00 0.00 C ATOM 715 CZ PHE A 44 2.147 24.677 -8.541 1.00 0.00 C ATOM 0 H PHE A 44 1.305 29.388 -10.212 1.00 0.00 H new ATOM 0 HA PHE A 44 1.258 30.789 -7.616 1.00 0.00 H new ATOM 0 HB2 PHE A 44 1.437 28.830 -6.314 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.039 28.751 -7.256 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.481 27.500 -7.193 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.563 26.764 -8.455 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.133 25.217 -7.891 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.073 24.446 -9.091 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.423 23.675 -8.835 1.00 0.00 H new ATOM 725 N MET A 45 3.781 30.350 -7.329 1.00 0.00 N ATOM 726 CA MET A 45 5.238 30.417 -7.388 1.00 0.00 C ATOM 727 C MET A 45 5.813 29.067 -6.963 1.00 0.00 C ATOM 728 O MET A 45 5.291 28.446 -6.036 1.00 0.00 O ATOM 729 CB MET A 45 5.698 31.531 -6.436 1.00 0.00 C ATOM 730 CG MET A 45 7.216 31.698 -6.406 1.00 0.00 C ATOM 731 SD MET A 45 7.789 32.926 -5.209 1.00 0.00 S ATOM 732 CE MET A 45 9.560 32.768 -5.526 1.00 0.00 C ATOM 0 H MET A 45 3.388 30.647 -6.436 1.00 0.00 H new ATOM 0 HA MET A 45 5.585 30.637 -8.398 1.00 0.00 H new ATOM 0 HB2 MET A 45 5.240 32.473 -6.738 1.00 0.00 H new ATOM 0 HB3 MET A 45 5.342 31.312 -5.429 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.674 30.736 -6.174 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.561 31.984 -7.400 1.00 0.00 H new ATOM 0 HE1 MET A 45 10.117 33.285 -4.745 1.00 0.00 H new ATOM 0 HE2 MET A 45 9.836 31.714 -5.531 1.00 0.00 H new ATOM 0 HE3 MET A 45 9.797 33.210 -6.494 1.00 0.00 H new ATOM 742 N GLY A 46 6.917 28.624 -7.563 1.00 0.00 N ATOM 743 CA GLY A 46 7.595 27.418 -7.139 1.00 0.00 C ATOM 744 C GLY A 46 9.064 27.464 -7.513 1.00 0.00 C ATOM 745 O GLY A 46 9.517 28.342 -8.249 1.00 0.00 O ATOM 0 H GLY A 46 7.359 29.095 -8.353 1.00 0.00 H new ATOM 0 HA2 GLY A 46 7.494 27.299 -6.060 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.125 26.550 -7.601 1.00 0.00 H new ATOM 749 N LYS A 47 9.820 26.515 -6.978 1.00 0.00 N ATOM 750 CA LYS A 47 11.189 26.283 -7.408 1.00 0.00 C ATOM 751 C LYS A 47 11.144 25.144 -8.418 1.00 0.00 C ATOM 752 O LYS A 47 10.589 24.082 -8.125 1.00 0.00 O ATOM 753 CB LYS A 47 12.078 25.913 -6.206 1.00 0.00 C ATOM 754 CG LYS A 47 13.572 26.012 -6.555 1.00 0.00 C ATOM 755 CD LYS A 47 14.099 27.459 -6.572 1.00 0.00 C ATOM 756 CE LYS A 47 14.223 28.140 -5.198 1.00 0.00 C ATOM 757 NZ LYS A 47 15.038 27.366 -4.227 1.00 0.00 N ATOM 0 H LYS A 47 9.503 25.889 -6.238 1.00 0.00 H new ATOM 0 HA LYS A 47 11.616 27.181 -7.856 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.854 26.576 -5.370 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.846 24.899 -5.880 1.00 0.00 H new ATOM 0 HG2 LYS A 47 14.146 25.432 -5.832 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.740 25.560 -7.532 1.00 0.00 H new ATOM 0 HD2 LYS A 47 15.079 27.464 -7.049 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.438 28.060 -7.196 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.667 29.127 -5.329 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.226 28.292 -4.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 15.408 28.007 -3.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.446 26.637 -3.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 15.831 26.912 -4.724 1.00 0.00 H new ATOM 771 N TRP A 48 11.707 25.360 -9.602 1.00 0.00 N ATOM 772 CA TRP A 48 11.942 24.303 -10.566 1.00 0.00 C ATOM 773 C TRP A 48 13.266 23.683 -10.127 1.00 0.00 C ATOM 774 O TRP A 48 14.328 24.279 -10.315 1.00 0.00 O ATOM 775 CB TRP A 48 11.990 24.874 -11.991 1.00 0.00 C ATOM 776 CG TRP A 48 12.107 23.884 -13.115 1.00 0.00 C ATOM 777 CD1 TRP A 48 12.177 22.538 -12.998 1.00 0.00 C ATOM 778 CD2 TRP A 48 12.152 24.145 -14.552 1.00 0.00 C ATOM 779 NE1 TRP A 48 12.282 21.956 -14.240 1.00 0.00 N ATOM 780 CE2 TRP A 48 12.281 22.901 -15.242 1.00 0.00 C ATOM 781 CE3 TRP A 48 12.082 25.311 -15.344 1.00 0.00 C ATOM 782 CZ2 TRP A 48 12.353 22.824 -16.641 1.00 0.00 C ATOM 783 CZ3 TRP A 48 12.144 25.246 -16.750 1.00 0.00 C ATOM 784 CH2 TRP A 48 12.282 24.006 -17.398 1.00 0.00 C ATOM 0 H TRP A 48 12.013 26.281 -9.917 1.00 0.00 H new ATOM 0 HA TRP A 48 11.149 23.555 -10.593 1.00 0.00 H new ATOM 0 HB2 TRP A 48 11.088 25.464 -12.151 1.00 0.00 H new ATOM 0 HB3 TRP A 48 12.835 25.560 -12.054 1.00 0.00 H new ATOM 0 HD1 TRP A 48 12.154 21.998 -12.063 1.00 0.00 H new ATOM 0 HE1 TRP A 48 12.352 20.951 -14.399 1.00 0.00 H new ATOM 0 HE3 TRP A 48 11.979 26.272 -14.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 12.462 21.867 -17.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 12.085 26.153 -17.333 1.00 0.00 H new ATOM 0 HH2 TRP A 48 12.333 23.962 -18.476 1.00 0.00 H new ATOM 795 N LYS A 49 13.204 22.522 -9.481 1.00 0.00 N ATOM 796 CA LYS A 49 14.344 21.760 -8.982 1.00 0.00 C ATOM 797 C LYS A 49 14.665 20.715 -10.052 1.00 0.00 C ATOM 798 O LYS A 49 14.415 19.520 -9.882 1.00 0.00 O ATOM 799 CB LYS A 49 13.973 21.154 -7.615 1.00 0.00 C ATOM 800 CG LYS A 49 13.951 22.237 -6.522 1.00 0.00 C ATOM 801 CD LYS A 49 13.373 21.769 -5.179 1.00 0.00 C ATOM 802 CE LYS A 49 14.113 20.560 -4.588 1.00 0.00 C ATOM 803 NZ LYS A 49 13.693 20.285 -3.192 1.00 0.00 N ATOM 0 H LYS A 49 12.314 22.065 -9.282 1.00 0.00 H new ATOM 0 HA LYS A 49 15.233 22.367 -8.813 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.996 20.675 -7.678 1.00 0.00 H new ATOM 0 HB3 LYS A 49 14.691 20.378 -7.350 1.00 0.00 H new ATOM 0 HG2 LYS A 49 14.968 22.595 -6.361 1.00 0.00 H new ATOM 0 HG3 LYS A 49 13.367 23.085 -6.879 1.00 0.00 H new ATOM 0 HD2 LYS A 49 13.412 22.594 -4.467 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.322 21.513 -5.313 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.924 19.681 -5.204 1.00 0.00 H new ATOM 0 HE3 LYS A 49 15.187 20.743 -4.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.794 19.269 -2.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.291 20.828 -2.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.699 20.565 -3.067 1.00 0.00 H new ATOM 817 N LYS A 50 15.102 21.204 -11.212 1.00 0.00 N ATOM 818 CA LYS A 50 15.319 20.385 -12.397 1.00 0.00 C ATOM 819 C LYS A 50 16.416 19.368 -12.096 1.00 0.00 C ATOM 820 O LYS A 50 17.470 19.752 -11.587 1.00 0.00 O ATOM 821 CB LYS A 50 15.688 21.281 -13.592 1.00 0.00 C ATOM 822 CG LYS A 50 15.546 20.518 -14.918 1.00 0.00 C ATOM 823 CD LYS A 50 15.945 21.385 -16.118 1.00 0.00 C ATOM 824 CE LYS A 50 15.824 20.567 -17.412 1.00 0.00 C ATOM 825 NZ LYS A 50 16.214 21.346 -18.616 1.00 0.00 N ATOM 0 H LYS A 50 15.317 22.191 -11.354 1.00 0.00 H new ATOM 0 HA LYS A 50 14.408 19.847 -12.660 1.00 0.00 H new ATOM 0 HB2 LYS A 50 15.044 22.161 -13.604 1.00 0.00 H new ATOM 0 HB3 LYS A 50 16.712 21.637 -13.481 1.00 0.00 H new ATOM 0 HG2 LYS A 50 16.169 19.624 -14.892 1.00 0.00 H new ATOM 0 HG3 LYS A 50 14.515 20.184 -15.037 1.00 0.00 H new ATOM 0 HD2 LYS A 50 15.304 22.265 -16.172 1.00 0.00 H new ATOM 0 HD3 LYS A 50 16.968 21.742 -15.997 1.00 0.00 H new ATOM 0 HE2 LYS A 50 16.453 19.680 -17.338 1.00 0.00 H new ATOM 0 HE3 LYS A 50 14.797 20.221 -17.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 16.115 20.750 -19.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 15.598 22.179 -18.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 17.203 21.655 -18.524 1.00 0.00 H new ATOM 957 N ILE A 58 20.598 18.244 -8.640 1.00 0.00 N ATOM 958 CA ILE A 58 19.496 19.168 -8.879 1.00 0.00 C ATOM 959 C ILE A 58 20.110 20.519 -9.249 1.00 0.00 C ATOM 960 O ILE A 58 21.061 20.980 -8.613 1.00 0.00 O ATOM 961 CB ILE A 58 18.621 19.243 -7.603 1.00 0.00 C ATOM 962 CG1 ILE A 58 17.918 17.902 -7.273 1.00 0.00 C ATOM 963 CG2 ILE A 58 17.591 20.384 -7.654 1.00 0.00 C ATOM 964 CD1 ILE A 58 16.783 17.492 -8.220 1.00 0.00 C ATOM 0 HA ILE A 58 18.849 18.843 -9.694 1.00 0.00 H new ATOM 0 HB ILE A 58 19.321 19.458 -6.796 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.668 17.111 -7.272 1.00 0.00 H new ATOM 0 HG13 ILE A 58 17.517 17.963 -6.261 1.00 0.00 H new ATOM 0 HG21 ILE A 58 17.007 20.388 -6.734 1.00 0.00 H new ATOM 0 HG22 ILE A 58 18.109 21.337 -7.759 1.00 0.00 H new ATOM 0 HG23 ILE A 58 16.926 20.236 -8.505 1.00 0.00 H new ATOM 0 HD11 ILE A 58 16.364 16.540 -7.895 1.00 0.00 H new ATOM 0 HD12 ILE A 58 16.004 18.255 -8.207 1.00 0.00 H new ATOM 0 HD13 ILE A 58 17.173 17.390 -9.233 1.00 0.00 H new ATOM 976 N GLU A 59 19.535 21.149 -10.268 1.00 0.00 N ATOM 977 CA GLU A 59 19.780 22.519 -10.678 1.00 0.00 C ATOM 978 C GLU A 59 18.492 23.274 -10.327 1.00 0.00 C ATOM 979 O GLU A 59 17.409 22.680 -10.310 1.00 0.00 O ATOM 980 CB GLU A 59 20.044 22.564 -12.195 1.00 0.00 C ATOM 981 CG GLU A 59 21.331 21.843 -12.636 1.00 0.00 C ATOM 982 CD GLU A 59 22.606 22.504 -12.079 1.00 0.00 C ATOM 983 OE1 GLU A 59 22.889 23.676 -12.417 1.00 0.00 O ATOM 984 OE2 GLU A 59 23.361 21.849 -11.326 1.00 0.00 O ATOM 0 H GLU A 59 18.846 20.686 -10.861 1.00 0.00 H new ATOM 0 HA GLU A 59 20.649 22.958 -10.187 1.00 0.00 H new ATOM 0 HB2 GLU A 59 19.195 22.117 -12.713 1.00 0.00 H new ATOM 0 HB3 GLU A 59 20.098 23.606 -12.512 1.00 0.00 H new ATOM 0 HG2 GLU A 59 21.292 20.805 -12.306 1.00 0.00 H new ATOM 0 HG3 GLU A 59 21.380 21.830 -13.725 1.00 0.00 H new ATOM 991 N GLU A 60 18.576 24.570 -10.034 1.00 0.00 N ATOM 992 CA GLU A 60 17.448 25.314 -9.484 1.00 0.00 C ATOM 993 C GLU A 60 17.178 26.585 -10.281 1.00 0.00 C ATOM 994 O GLU A 60 18.107 27.330 -10.608 1.00 0.00 O ATOM 995 CB GLU A 60 17.733 25.693 -8.024 1.00 0.00 C ATOM 996 CG GLU A 60 17.719 24.491 -7.075 1.00 0.00 C ATOM 997 CD GLU A 60 17.907 24.936 -5.614 1.00 0.00 C ATOM 998 OE1 GLU A 60 17.083 25.734 -5.108 1.00 0.00 O ATOM 999 OE2 GLU A 60 18.875 24.487 -4.957 1.00 0.00 O ATOM 0 H GLU A 60 19.419 25.128 -10.170 1.00 0.00 H new ATOM 0 HA GLU A 60 16.569 24.672 -9.542 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.705 26.183 -7.966 1.00 0.00 H new ATOM 0 HB3 GLU A 60 16.990 26.418 -7.692 1.00 0.00 H new ATOM 0 HG2 GLU A 60 16.775 23.955 -7.176 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.512 23.796 -7.352 1.00 0.00 H new ATOM 1006 N LYS A 61 15.896 26.854 -10.538 1.00 0.00 N ATOM 1007 CA LYS A 61 15.408 28.123 -11.073 1.00 0.00 C ATOM 1008 C LYS A 61 14.166 28.470 -10.264 1.00 0.00 C ATOM 1009 O LYS A 61 13.397 27.576 -9.910 1.00 0.00 O ATOM 1010 CB LYS A 61 15.074 28.036 -12.573 1.00 0.00 C ATOM 1011 CG LYS A 61 16.326 27.859 -13.448 1.00 0.00 C ATOM 1012 CD LYS A 61 16.049 28.094 -14.944 1.00 0.00 C ATOM 1013 CE LYS A 61 14.987 27.166 -15.560 1.00 0.00 C ATOM 1014 NZ LYS A 61 15.428 25.750 -15.652 1.00 0.00 N ATOM 0 H LYS A 61 15.151 26.177 -10.375 1.00 0.00 H new ATOM 0 HA LYS A 61 16.177 28.890 -10.988 1.00 0.00 H new ATOM 0 HB2 LYS A 61 14.396 27.200 -12.743 1.00 0.00 H new ATOM 0 HB3 LYS A 61 14.547 28.941 -12.877 1.00 0.00 H new ATOM 0 HG2 LYS A 61 17.098 28.552 -13.113 1.00 0.00 H new ATOM 0 HG3 LYS A 61 16.720 26.852 -13.310 1.00 0.00 H new ATOM 0 HD2 LYS A 61 15.731 29.128 -15.082 1.00 0.00 H new ATOM 0 HD3 LYS A 61 16.981 27.971 -15.495 1.00 0.00 H new ATOM 0 HE2 LYS A 61 14.077 27.218 -14.962 1.00 0.00 H new ATOM 0 HE3 LYS A 61 14.734 27.526 -16.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 14.599 25.136 -15.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 16.069 25.638 -16.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 15.925 25.484 -14.778 1.00 0.00 H new ATOM 1028 N THR A 62 13.958 29.745 -9.967 1.00 0.00 N ATOM 1029 CA THR A 62 12.778 30.197 -9.240 1.00 0.00 C ATOM 1030 C THR A 62 11.776 30.638 -10.304 1.00 0.00 C ATOM 1031 O THR A 62 12.123 31.438 -11.176 1.00 0.00 O ATOM 1032 CB THR A 62 13.194 31.299 -8.253 1.00 0.00 C ATOM 1033 OG1 THR A 62 14.283 30.853 -7.462 1.00 0.00 O ATOM 1034 CG2 THR A 62 12.057 31.639 -7.297 1.00 0.00 C ATOM 0 H THR A 62 14.601 30.495 -10.222 1.00 0.00 H new ATOM 0 HA THR A 62 12.309 29.427 -8.628 1.00 0.00 H new ATOM 0 HB THR A 62 13.464 32.176 -8.842 1.00 0.00 H new ATOM 0 HG1 THR A 62 14.544 31.561 -6.836 1.00 0.00 H new ATOM 0 HG21 THR A 62 12.380 32.421 -6.611 1.00 0.00 H new ATOM 0 HG22 THR A 62 11.196 31.989 -7.866 1.00 0.00 H new ATOM 0 HG23 THR A 62 11.781 30.750 -6.730 1.00 0.00 H new ATOM 1042 N VAL A 63 10.551 30.113 -10.269 1.00 0.00 N ATOM 1043 CA VAL A 63 9.602 30.282 -11.359 1.00 0.00 C ATOM 1044 C VAL A 63 8.199 30.587 -10.841 1.00 0.00 C ATOM 1045 O VAL A 63 7.828 30.256 -9.715 1.00 0.00 O ATOM 1046 CB VAL A 63 9.602 29.030 -12.272 1.00 0.00 C ATOM 1047 CG1 VAL A 63 10.976 28.740 -12.896 1.00 0.00 C ATOM 1048 CG2 VAL A 63 9.131 27.747 -11.568 1.00 0.00 C ATOM 0 H VAL A 63 10.194 29.563 -9.488 1.00 0.00 H new ATOM 0 HA VAL A 63 9.919 31.141 -11.951 1.00 0.00 H new ATOM 0 HB VAL A 63 8.887 29.292 -13.052 1.00 0.00 H new ATOM 0 HG11 VAL A 63 10.910 27.852 -13.524 1.00 0.00 H new ATOM 0 HG12 VAL A 63 11.287 29.591 -13.502 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.707 28.572 -12.105 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.159 26.915 -12.271 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.788 27.532 -10.725 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.112 27.883 -11.207 1.00 0.00 H new ATOM 1058 N GLU A 64 7.410 31.220 -11.696 1.00 0.00 N ATOM 1059 CA GLU A 64 5.984 31.418 -11.521 1.00 0.00 C ATOM 1060 C GLU A 64 5.339 30.440 -12.498 1.00 0.00 C ATOM 1061 O GLU A 64 5.598 30.509 -13.700 1.00 0.00 O ATOM 1062 CB GLU A 64 5.608 32.881 -11.807 1.00 0.00 C ATOM 1063 CG GLU A 64 4.108 33.117 -11.584 1.00 0.00 C ATOM 1064 CD GLU A 64 3.747 34.608 -11.714 1.00 0.00 C ATOM 1065 OE1 GLU A 64 3.486 35.085 -12.841 1.00 0.00 O ATOM 1066 OE2 GLU A 64 3.702 35.317 -10.683 1.00 0.00 O ATOM 0 H GLU A 64 7.762 31.625 -12.564 1.00 0.00 H new ATOM 0 HA GLU A 64 5.644 31.231 -10.502 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.184 33.542 -11.159 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.871 33.134 -12.834 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.536 32.538 -12.309 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.825 32.758 -10.595 1.00 0.00 H new ATOM 1073 N VAL A 65 4.570 29.483 -11.989 1.00 0.00 N ATOM 1074 CA VAL A 65 3.836 28.536 -12.817 1.00 0.00 C ATOM 1075 C VAL A 65 2.529 29.192 -13.264 1.00 0.00 C ATOM 1076 O VAL A 65 1.888 29.896 -12.478 1.00 0.00 O ATOM 1077 CB VAL A 65 3.635 27.172 -12.117 1.00 0.00 C ATOM 1078 CG1 VAL A 65 4.834 26.740 -11.250 1.00 0.00 C ATOM 1079 CG2 VAL A 65 2.346 27.021 -11.317 1.00 0.00 C ATOM 0 H VAL A 65 4.439 29.343 -10.987 1.00 0.00 H new ATOM 0 HA VAL A 65 4.421 28.296 -13.705 1.00 0.00 H new ATOM 0 HB VAL A 65 3.551 26.497 -12.969 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.622 25.775 -10.790 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.723 26.657 -11.875 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.006 27.483 -10.471 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.310 26.028 -10.870 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.316 27.774 -10.530 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.490 27.153 -11.978 1.00 0.00 H new ATOM 1089 N LEU A 66 2.113 28.938 -14.506 1.00 0.00 N ATOM 1090 CA LEU A 66 0.938 29.568 -15.101 1.00 0.00 C ATOM 1091 C LEU A 66 -0.250 28.605 -15.157 1.00 0.00 C ATOM 1092 O LEU A 66 -1.391 29.061 -15.240 1.00 0.00 O ATOM 1093 CB LEU A 66 1.243 30.086 -16.524 1.00 0.00 C ATOM 1094 CG LEU A 66 2.327 31.174 -16.689 1.00 0.00 C ATOM 1095 CD1 LEU A 66 2.240 32.276 -15.627 1.00 0.00 C ATOM 1096 CD2 LEU A 66 3.747 30.598 -16.721 1.00 0.00 C ATOM 0 H LEU A 66 2.587 28.285 -15.130 1.00 0.00 H new ATOM 0 HA LEU A 66 0.675 30.411 -14.462 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.534 29.231 -17.134 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.315 30.475 -16.943 1.00 0.00 H new ATOM 0 HG LEU A 66 2.118 31.624 -17.659 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.028 33.009 -15.798 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.269 32.766 -15.690 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.361 31.837 -14.637 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.466 31.409 -16.839 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.946 30.069 -15.789 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.840 29.906 -17.558 1.00 0.00 H new ATOM 1108 N GLY A 67 -0.012 27.291 -15.118 1.00 0.00 N ATOM 1109 CA GLY A 67 -1.030 26.274 -15.290 1.00 0.00 C ATOM 1110 C GLY A 67 -0.367 24.956 -15.662 1.00 0.00 C ATOM 1111 O GLY A 67 0.851 24.899 -15.858 1.00 0.00 O ATOM 0 H GLY A 67 0.919 26.905 -14.962 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.604 26.159 -14.371 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.732 26.574 -16.068 1.00 0.00 H new ATOM 1115 N MET A 68 -1.163 23.896 -15.768 1.00 0.00 N ATOM 1116 CA MET A 68 -0.700 22.631 -16.335 1.00 0.00 C ATOM 1117 C MET A 68 -0.327 22.860 -17.803 1.00 0.00 C ATOM 1118 O MET A 68 -0.875 23.745 -18.470 1.00 0.00 O ATOM 1119 CB MET A 68 -1.774 21.531 -16.258 1.00 0.00 C ATOM 1120 CG MET A 68 -2.121 21.050 -14.845 1.00 0.00 C ATOM 1121 SD MET A 68 -0.789 20.242 -13.913 1.00 0.00 S ATOM 1122 CE MET A 68 -0.783 18.612 -14.705 1.00 0.00 C ATOM 0 H MET A 68 -2.138 23.887 -15.467 1.00 0.00 H new ATOM 0 HA MET A 68 0.160 22.296 -15.755 1.00 0.00 H new ATOM 0 HB2 MET A 68 -2.684 21.901 -16.731 1.00 0.00 H new ATOM 0 HB3 MET A 68 -1.436 20.675 -16.842 1.00 0.00 H new ATOM 0 HG2 MET A 68 -2.469 21.907 -14.269 1.00 0.00 H new ATOM 0 HG3 MET A 68 -2.957 20.354 -14.917 1.00 0.00 H new ATOM 0 HE1 MET A 68 -0.016 17.988 -14.247 1.00 0.00 H new ATOM 0 HE2 MET A 68 -1.758 18.142 -14.577 1.00 0.00 H new ATOM 0 HE3 MET A 68 -0.571 18.725 -15.768 1.00 0.00 H new ATOM 1132 N ALA A 69 0.591 22.040 -18.310 1.00 0.00 N ATOM 1133 CA ALA A 69 0.897 21.976 -19.733 1.00 0.00 C ATOM 1134 C ALA A 69 -0.326 21.439 -20.508 1.00 0.00 C ATOM 1135 O ALA A 69 -1.267 20.936 -19.885 1.00 0.00 O ATOM 1136 CB ALA A 69 2.115 21.071 -19.918 1.00 0.00 C ATOM 0 H ALA A 69 1.145 21.400 -17.741 1.00 0.00 H new ATOM 0 HA ALA A 69 1.124 22.968 -20.125 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.364 21.008 -20.977 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.962 21.485 -19.371 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.889 20.075 -19.538 1.00 0.00 H new ATOM 1142 N PRO A 70 -0.330 21.505 -21.853 1.00 0.00 N ATOM 1143 CA PRO A 70 -1.338 20.843 -22.671 1.00 0.00 C ATOM 1144 C PRO A 70 -1.499 19.360 -22.321 1.00 0.00 C ATOM 1145 O PRO A 70 -0.549 18.693 -21.894 1.00 0.00 O ATOM 1146 CB PRO A 70 -0.878 21.023 -24.122 1.00 0.00 C ATOM 1147 CG PRO A 70 -0.058 22.309 -24.071 1.00 0.00 C ATOM 1148 CD PRO A 70 0.612 22.221 -22.702 1.00 0.00 C ATOM 0 HA PRO A 70 -2.320 21.282 -22.497 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -0.280 20.178 -24.463 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.723 21.111 -24.804 1.00 0.00 H new ATOM 0 HG2 PRO A 70 0.673 22.356 -24.878 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -0.687 23.195 -24.159 1.00 0.00 H new ATOM 0 HD2 PRO A 70 1.564 21.693 -22.764 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.823 23.213 -22.304 1.00 0.00 H new ATOM 1156 N ASP A 71 -2.686 18.818 -22.596 1.00 0.00 N ATOM 1157 CA ASP A 71 -2.980 17.395 -22.449 1.00 0.00 C ATOM 1158 C ASP A 71 -2.018 16.523 -23.263 1.00 0.00 C ATOM 1159 O ASP A 71 -1.710 15.410 -22.850 1.00 0.00 O ATOM 1160 CB ASP A 71 -4.434 17.093 -22.838 1.00 0.00 C ATOM 1161 CG ASP A 71 -4.640 16.936 -24.355 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -4.636 17.961 -25.072 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -4.847 15.799 -24.833 1.00 0.00 O ATOM 0 H ASP A 71 -3.480 19.364 -22.931 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.840 17.147 -21.397 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.754 16.178 -22.339 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.074 17.896 -22.473 1.00 0.00 H new ATOM 1168 N ASP A 72 -1.493 17.039 -24.380 1.00 0.00 N ATOM 1169 CA ASP A 72 -0.539 16.327 -25.230 1.00 0.00 C ATOM 1170 C ASP A 72 0.767 16.019 -24.490 1.00 0.00 C ATOM 1171 O ASP A 72 1.387 14.982 -24.724 1.00 0.00 O ATOM 1172 CB ASP A 72 -0.243 17.153 -26.486 1.00 0.00 C ATOM 1173 CG ASP A 72 0.760 16.432 -27.403 1.00 0.00 C ATOM 1174 OD1 ASP A 72 0.388 15.413 -28.028 1.00 0.00 O ATOM 1175 OD2 ASP A 72 1.907 16.910 -27.547 1.00 0.00 O ATOM 0 H ASP A 72 -1.723 17.973 -24.721 1.00 0.00 H new ATOM 0 HA ASP A 72 -0.992 15.376 -25.511 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.169 17.337 -27.030 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.157 18.126 -26.199 1.00 0.00 H new ATOM 1180 N GLU A 73 1.164 16.894 -23.564 1.00 0.00 N ATOM 1181 CA GLU A 73 2.304 16.659 -22.686 1.00 0.00 C ATOM 1182 C GLU A 73 1.851 15.789 -21.514 1.00 0.00 C ATOM 1183 O GLU A 73 2.515 14.809 -21.169 1.00 0.00 O ATOM 1184 CB GLU A 73 2.880 17.994 -22.180 1.00 0.00 C ATOM 1185 CG GLU A 73 3.519 18.862 -23.276 1.00 0.00 C ATOM 1186 CD GLU A 73 4.867 18.303 -23.771 1.00 0.00 C ATOM 1187 OE1 GLU A 73 4.888 17.247 -24.443 1.00 0.00 O ATOM 1188 OE2 GLU A 73 5.918 18.932 -23.509 1.00 0.00 O ATOM 0 H GLU A 73 0.700 17.788 -23.404 1.00 0.00 H new ATOM 0 HA GLU A 73 3.091 16.146 -23.238 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.083 18.562 -21.701 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.628 17.787 -21.414 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.832 18.939 -24.118 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.668 19.871 -22.893 1.00 0.00 H new ATOM 1195 N CYS A 74 0.685 16.102 -20.938 1.00 0.00 N ATOM 1196 CA CYS A 74 0.194 15.463 -19.722 1.00 0.00 C ATOM 1197 C CYS A 74 -0.298 14.017 -19.917 1.00 0.00 C ATOM 1198 O CYS A 74 -0.855 13.426 -18.994 1.00 0.00 O ATOM 1199 CB CYS A 74 -0.847 16.350 -19.033 1.00 0.00 C ATOM 1200 SG CYS A 74 -0.140 17.990 -18.693 1.00 0.00 S ATOM 0 H CYS A 74 0.054 16.812 -21.309 1.00 0.00 H new ATOM 0 HA CYS A 74 1.054 15.362 -19.060 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -1.729 16.449 -19.666 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -1.174 15.886 -18.102 1.00 0.00 H new ATOM 0 HG CYS A 74 -0.123 18.691 -19.788 1.00 0.00 H new ATOM 1206 N LEU A 75 -0.096 13.439 -21.102 1.00 0.00 N ATOM 1207 CA LEU A 75 -0.306 12.024 -21.405 1.00 0.00 C ATOM 1208 C LEU A 75 0.928 11.183 -21.057 1.00 0.00 C ATOM 1209 O LEU A 75 0.837 9.954 -21.053 1.00 0.00 O ATOM 1210 CB LEU A 75 -0.594 11.869 -22.913 1.00 0.00 C ATOM 1211 CG LEU A 75 -2.071 12.077 -23.289 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -2.188 12.304 -24.798 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -2.930 10.873 -22.883 1.00 0.00 C ATOM 0 H LEU A 75 0.232 13.967 -21.910 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.146 11.672 -20.806 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.016 12.584 -23.465 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.285 10.874 -23.232 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.437 12.950 -22.749 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.235 12.451 -25.064 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.615 13.188 -25.079 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.798 11.435 -25.328 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.967 11.055 -23.164 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.568 9.980 -23.391 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.866 10.728 -21.805 1.00 0.00 H new ATOM 1225 N LYS A 76 2.075 11.815 -20.785 1.00 0.00 N ATOM 1226 CA LYS A 76 3.368 11.133 -20.664 1.00 0.00 C ATOM 1227 C LYS A 76 3.931 11.251 -19.253 1.00 0.00 C ATOM 1228 O LYS A 76 4.492 10.285 -18.737 1.00 0.00 O ATOM 1229 CB LYS A 76 4.349 11.742 -21.681 1.00 0.00 C ATOM 1230 CG LYS A 76 3.911 11.527 -23.144 1.00 0.00 C ATOM 1231 CD LYS A 76 4.782 12.298 -24.147 1.00 0.00 C ATOM 1232 CE LYS A 76 4.544 13.813 -24.038 1.00 0.00 C ATOM 1233 NZ LYS A 76 5.313 14.586 -25.041 1.00 0.00 N ATOM 0 H LYS A 76 2.132 12.823 -20.641 1.00 0.00 H new ATOM 0 HA LYS A 76 3.226 10.072 -20.870 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.445 12.811 -21.490 1.00 0.00 H new ATOM 0 HB3 LYS A 76 5.335 11.302 -21.534 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.951 10.463 -23.378 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.873 11.839 -23.257 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.834 12.078 -23.964 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.558 11.964 -25.160 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.481 14.020 -24.163 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.819 14.149 -23.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 5.409 15.571 -24.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.257 14.165 -25.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.813 14.566 -25.953 1.00 0.00 H new ATOM 1247 N ASP A 77 3.766 12.412 -18.626 1.00 0.00 N ATOM 1248 CA ASP A 77 4.131 12.705 -17.236 1.00 0.00 C ATOM 1249 C ASP A 77 3.304 13.935 -16.844 1.00 0.00 C ATOM 1250 O ASP A 77 2.638 14.496 -17.716 1.00 0.00 O ATOM 1251 CB ASP A 77 5.644 12.976 -17.113 1.00 0.00 C ATOM 1252 CG ASP A 77 6.177 12.685 -15.702 1.00 0.00 C ATOM 1253 OD1 ASP A 77 6.058 11.523 -15.252 1.00 0.00 O ATOM 1254 OD2 ASP A 77 6.754 13.596 -15.068 1.00 0.00 O ATOM 0 H ASP A 77 3.353 13.218 -19.095 1.00 0.00 H new ATOM 0 HA ASP A 77 3.923 11.864 -16.574 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.181 12.361 -17.835 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.846 14.016 -17.368 1.00 0.00 H new ATOM 1259 N MET A 78 3.290 14.383 -15.588 1.00 0.00 N ATOM 1260 CA MET A 78 2.615 15.643 -15.261 1.00 0.00 C ATOM 1261 C MET A 78 3.566 16.798 -15.578 1.00 0.00 C ATOM 1262 O MET A 78 4.742 16.745 -15.213 1.00 0.00 O ATOM 1263 CB MET A 78 2.175 15.666 -13.792 1.00 0.00 C ATOM 1264 CG MET A 78 1.034 14.684 -13.494 1.00 0.00 C ATOM 1265 SD MET A 78 -0.517 14.967 -14.401 1.00 0.00 S ATOM 1266 CE MET A 78 -0.406 13.657 -15.652 1.00 0.00 C ATOM 0 H MET A 78 3.726 13.908 -14.797 1.00 0.00 H new ATOM 0 HA MET A 78 1.711 15.744 -15.861 1.00 0.00 H new ATOM 0 HB2 MET A 78 3.029 15.426 -13.159 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.857 16.675 -13.529 1.00 0.00 H new ATOM 0 HG2 MET A 78 1.382 13.675 -13.715 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.819 14.720 -12.426 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.345 13.599 -16.203 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.407 13.882 -16.343 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.213 12.702 -15.163 1.00 0.00 H new ATOM 1276 N TYR A 79 3.063 17.865 -16.206 1.00 0.00 N ATOM 1277 CA TYR A 79 3.859 19.012 -16.636 1.00 0.00 C ATOM 1278 C TYR A 79 3.082 20.304 -16.383 1.00 0.00 C ATOM 1279 O TYR A 79 1.850 20.303 -16.352 1.00 0.00 O ATOM 1280 CB TYR A 79 4.172 18.910 -18.139 1.00 0.00 C ATOM 1281 CG TYR A 79 5.140 17.836 -18.594 1.00 0.00 C ATOM 1282 CD1 TYR A 79 6.517 18.115 -18.678 1.00 0.00 C ATOM 1283 CD2 TYR A 79 4.649 16.601 -19.056 1.00 0.00 C ATOM 1284 CE1 TYR A 79 7.401 17.161 -19.211 1.00 0.00 C ATOM 1285 CE2 TYR A 79 5.526 15.639 -19.584 1.00 0.00 C ATOM 1286 CZ TYR A 79 6.911 15.911 -19.657 1.00 0.00 C ATOM 1287 OH TYR A 79 7.781 14.991 -20.161 1.00 0.00 O ATOM 0 H TYR A 79 2.073 17.955 -16.433 1.00 0.00 H new ATOM 0 HA TYR A 79 4.790 19.019 -16.069 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.231 18.756 -18.666 1.00 0.00 H new ATOM 0 HB3 TYR A 79 4.565 19.873 -18.464 1.00 0.00 H new ATOM 0 HD1 TYR A 79 6.896 19.065 -18.332 1.00 0.00 H new ATOM 0 HD2 TYR A 79 3.591 16.391 -19.004 1.00 0.00 H new ATOM 0 HE1 TYR A 79 8.456 17.383 -19.280 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.142 14.692 -19.934 1.00 0.00 H new ATOM 0 HH TYR A 79 7.289 14.185 -20.422 1.00 0.00 H new ATOM 1297 N VAL A 80 3.809 21.413 -16.266 1.00 0.00 N ATOM 1298 CA VAL A 80 3.289 22.735 -15.951 1.00 0.00 C ATOM 1299 C VAL A 80 4.035 23.755 -16.804 1.00 0.00 C ATOM 1300 O VAL A 80 5.231 23.605 -17.057 1.00 0.00 O ATOM 1301 CB VAL A 80 3.429 23.041 -14.440 1.00 0.00 C ATOM 1302 CG1 VAL A 80 2.289 22.402 -13.637 1.00 0.00 C ATOM 1303 CG2 VAL A 80 4.770 22.588 -13.834 1.00 0.00 C ATOM 0 H VAL A 80 4.821 21.411 -16.394 1.00 0.00 H new ATOM 0 HA VAL A 80 2.224 22.783 -16.178 1.00 0.00 H new ATOM 0 HB VAL A 80 3.384 24.128 -14.369 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.414 22.634 -12.579 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.334 22.796 -13.984 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.308 21.321 -13.776 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.792 22.837 -12.773 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.879 21.510 -13.956 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.589 23.096 -14.343 1.00 0.00 H new ATOM 1313 N GLU A 81 3.325 24.780 -17.266 1.00 0.00 N ATOM 1314 CA GLU A 81 3.930 25.932 -17.922 1.00 0.00 C ATOM 1315 C GLU A 81 4.496 26.833 -16.827 1.00 0.00 C ATOM 1316 O GLU A 81 3.816 27.075 -15.825 1.00 0.00 O ATOM 1317 CB GLU A 81 2.891 26.699 -18.752 1.00 0.00 C ATOM 1318 CG GLU A 81 2.354 25.871 -19.925 1.00 0.00 C ATOM 1319 CD GLU A 81 1.475 26.722 -20.860 1.00 0.00 C ATOM 1320 OE1 GLU A 81 0.295 26.982 -20.534 1.00 0.00 O ATOM 1321 OE2 GLU A 81 1.953 27.129 -21.943 1.00 0.00 O ATOM 0 H GLU A 81 2.309 24.834 -17.195 1.00 0.00 H new ATOM 0 HA GLU A 81 4.715 25.606 -18.604 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.062 26.993 -18.109 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.340 27.616 -19.133 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.188 25.453 -20.489 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.774 25.031 -19.543 1.00 0.00 H new ATOM 1328 N VAL A 82 5.714 27.345 -17.007 1.00 0.00 N ATOM 1329 CA VAL A 82 6.409 28.134 -15.991 1.00 0.00 C ATOM 1330 C VAL A 82 7.161 29.293 -16.650 1.00 0.00 C ATOM 1331 O VAL A 82 7.610 29.164 -17.786 1.00 0.00 O ATOM 1332 CB VAL A 82 7.339 27.233 -15.138 1.00 0.00 C ATOM 1333 CG1 VAL A 82 6.624 26.012 -14.537 1.00 0.00 C ATOM 1334 CG2 VAL A 82 8.578 26.716 -15.886 1.00 0.00 C ATOM 0 H VAL A 82 6.249 27.223 -17.867 1.00 0.00 H new ATOM 0 HA VAL A 82 5.678 28.566 -15.308 1.00 0.00 H new ATOM 0 HB VAL A 82 7.657 27.909 -14.344 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.334 25.426 -13.953 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.812 26.347 -13.892 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.219 25.396 -15.340 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.174 26.095 -15.217 1.00 0.00 H new ATOM 0 HG22 VAL A 82 8.263 26.125 -16.746 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.177 27.561 -16.226 1.00 0.00 H new ATOM 1344 N ALA A 83 7.348 30.407 -15.943 1.00 0.00 N ATOM 1345 CA ALA A 83 8.123 31.556 -16.396 1.00 0.00 C ATOM 1346 C ALA A 83 9.156 31.875 -15.319 1.00 0.00 C ATOM 1347 O ALA A 83 8.863 31.780 -14.125 1.00 0.00 O ATOM 1348 CB ALA A 83 7.199 32.751 -16.645 1.00 0.00 C ATOM 0 H ALA A 83 6.952 30.536 -15.012 1.00 0.00 H new ATOM 0 HA ALA A 83 8.628 31.334 -17.336 1.00 0.00 H new ATOM 0 HB1 ALA A 83 7.789 33.603 -16.983 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.466 32.491 -17.409 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.683 33.011 -15.721 1.00 0.00 H new ATOM 1354 N ASP A 84 10.372 32.219 -15.736 1.00 0.00 N ATOM 1355 CA ASP A 84 11.485 32.467 -14.820 1.00 0.00 C ATOM 1356 C ASP A 84 11.294 33.788 -14.079 1.00 0.00 C ATOM 1357 O ASP A 84 11.102 34.828 -14.709 1.00 0.00 O ATOM 1358 CB ASP A 84 12.804 32.503 -15.596 1.00 0.00 C ATOM 1359 CG ASP A 84 13.964 32.921 -14.686 1.00 0.00 C ATOM 1360 OD1 ASP A 84 14.129 32.327 -13.600 1.00 0.00 O ATOM 1361 OD2 ASP A 84 14.681 33.876 -15.050 1.00 0.00 O ATOM 0 H ASP A 84 10.615 32.334 -16.720 1.00 0.00 H new ATOM 0 HA ASP A 84 11.512 31.657 -14.091 1.00 0.00 H new ATOM 0 HB2 ASP A 84 13.007 31.520 -16.022 1.00 0.00 H new ATOM 0 HB3 ASP A 84 12.721 33.201 -16.429 1.00 0.00 H new ATOM 1366 N ILE A 85 11.377 33.761 -12.748 1.00 0.00 N ATOM 1367 CA ILE A 85 11.318 34.959 -11.913 1.00 0.00 C ATOM 1368 C ILE A 85 12.723 35.590 -11.823 1.00 0.00 C ATOM 1369 O ILE A 85 12.833 36.795 -11.593 1.00 0.00 O ATOM 1370 CB ILE A 85 10.708 34.610 -10.529 1.00 0.00 C ATOM 1371 CG1 ILE A 85 9.278 34.034 -10.679 1.00 0.00 C ATOM 1372 CG2 ILE A 85 10.627 35.829 -9.594 1.00 0.00 C ATOM 1373 CD1 ILE A 85 8.663 33.530 -9.366 1.00 0.00 C ATOM 0 H ILE A 85 11.488 32.898 -12.215 1.00 0.00 H new ATOM 0 HA ILE A 85 10.662 35.707 -12.358 1.00 0.00 H new ATOM 0 HB ILE A 85 11.377 33.869 -10.092 1.00 0.00 H new ATOM 0 HG12 ILE A 85 8.630 34.804 -11.099 1.00 0.00 H new ATOM 0 HG13 ILE A 85 9.302 33.212 -11.395 1.00 0.00 H new ATOM 0 HG21 ILE A 85 10.193 35.528 -8.641 1.00 0.00 H new ATOM 0 HG22 ILE A 85 11.628 36.227 -9.428 1.00 0.00 H new ATOM 0 HG23 ILE A 85 10.003 36.597 -10.051 1.00 0.00 H new ATOM 0 HD11 ILE A 85 7.662 33.143 -9.558 1.00 0.00 H new ATOM 0 HD12 ILE A 85 9.286 32.736 -8.953 1.00 0.00 H new ATOM 0 HD13 ILE A 85 8.604 34.352 -8.653 1.00 0.00 H new ATOM 1457 N VAL A 92 8.732 31.913 -21.540 1.00 0.00 N ATOM 1458 CA VAL A 92 7.961 30.917 -20.806 1.00 0.00 C ATOM 1459 C VAL A 92 8.430 29.535 -21.286 1.00 0.00 C ATOM 1460 O VAL A 92 8.881 29.369 -22.424 1.00 0.00 O ATOM 1461 CB VAL A 92 6.441 31.140 -21.017 1.00 0.00 C ATOM 1462 CG1 VAL A 92 5.580 30.333 -20.031 1.00 0.00 C ATOM 1463 CG2 VAL A 92 6.013 32.615 -20.884 1.00 0.00 C ATOM 0 HA VAL A 92 8.126 30.999 -19.732 1.00 0.00 H new ATOM 0 HB VAL A 92 6.272 30.799 -22.038 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.525 30.528 -20.225 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.782 29.269 -20.158 1.00 0.00 H new ATOM 0 HG13 VAL A 92 5.822 30.629 -19.010 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.938 32.698 -21.043 1.00 0.00 H new ATOM 0 HG22 VAL A 92 6.261 32.977 -19.886 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.537 33.215 -21.628 1.00 0.00 H new ATOM 1473 N TYR A 93 8.315 28.552 -20.402 1.00 0.00 N ATOM 1474 CA TYR A 93 8.871 27.215 -20.521 1.00 0.00 C ATOM 1475 C TYR A 93 7.830 26.198 -20.046 1.00 0.00 C ATOM 1476 O TYR A 93 6.747 26.565 -19.583 1.00 0.00 O ATOM 1477 CB TYR A 93 10.145 27.131 -19.653 1.00 0.00 C ATOM 1478 CG TYR A 93 11.136 28.269 -19.841 1.00 0.00 C ATOM 1479 CD1 TYR A 93 12.127 28.187 -20.837 1.00 0.00 C ATOM 1480 CD2 TYR A 93 11.046 29.422 -19.035 1.00 0.00 C ATOM 1481 CE1 TYR A 93 13.022 29.253 -21.033 1.00 0.00 C ATOM 1482 CE2 TYR A 93 11.927 30.500 -19.235 1.00 0.00 C ATOM 1483 CZ TYR A 93 12.922 30.417 -20.237 1.00 0.00 C ATOM 1484 OH TYR A 93 13.788 31.448 -20.439 1.00 0.00 O ATOM 0 H TYR A 93 7.799 28.677 -19.531 1.00 0.00 H new ATOM 0 HA TYR A 93 9.129 26.996 -21.557 1.00 0.00 H new ATOM 0 HB2 TYR A 93 9.849 27.099 -18.605 1.00 0.00 H new ATOM 0 HB3 TYR A 93 10.651 26.191 -19.870 1.00 0.00 H new ATOM 0 HD1 TYR A 93 12.200 27.303 -21.452 1.00 0.00 H new ATOM 0 HD2 TYR A 93 10.296 29.478 -18.260 1.00 0.00 H new ATOM 0 HE1 TYR A 93 13.787 29.183 -21.792 1.00 0.00 H new ATOM 0 HE2 TYR A 93 11.844 31.388 -18.626 1.00 0.00 H new ATOM 0 HH TYR A 93 13.585 32.173 -19.812 1.00 0.00 H new ATOM 1494 N THR A 94 8.194 24.920 -20.099 1.00 0.00 N ATOM 1495 CA THR A 94 7.415 23.830 -19.531 1.00 0.00 C ATOM 1496 C THR A 94 8.368 23.012 -18.660 1.00 0.00 C ATOM 1497 O THR A 94 9.504 22.741 -19.060 1.00 0.00 O ATOM 1498 CB THR A 94 6.751 22.995 -20.645 1.00 0.00 C ATOM 1499 OG1 THR A 94 6.187 23.825 -21.648 1.00 0.00 O ATOM 1500 CG2 THR A 94 5.627 22.117 -20.092 1.00 0.00 C ATOM 0 H THR A 94 9.056 24.610 -20.547 1.00 0.00 H new ATOM 0 HA THR A 94 6.593 24.200 -18.918 1.00 0.00 H new ATOM 0 HB THR A 94 7.540 22.374 -21.069 1.00 0.00 H new ATOM 0 HG1 THR A 94 5.775 23.267 -22.341 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.181 21.542 -20.904 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.032 21.435 -19.345 1.00 0.00 H new ATOM 0 HG23 THR A 94 4.865 22.747 -19.633 1.00 0.00 H new ATOM 1508 N ALA A 95 7.900 22.635 -17.473 1.00 0.00 N ATOM 1509 CA ALA A 95 8.640 21.874 -16.482 1.00 0.00 C ATOM 1510 C ALA A 95 7.797 20.662 -16.105 1.00 0.00 C ATOM 1511 O ALA A 95 6.567 20.726 -16.139 1.00 0.00 O ATOM 1512 CB ALA A 95 8.891 22.758 -15.255 1.00 0.00 C ATOM 0 H ALA A 95 6.954 22.863 -17.167 1.00 0.00 H new ATOM 0 HA ALA A 95 9.603 21.547 -16.873 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.446 22.193 -14.507 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.468 23.634 -15.550 1.00 0.00 H new ATOM 0 HB3 ALA A 95 7.937 23.077 -14.835 1.00 0.00 H new ATOM 1518 N LYS A 96 8.439 19.555 -15.733 1.00 0.00 N ATOM 1519 CA LYS A 96 7.728 18.433 -15.149 1.00 0.00 C ATOM 1520 C LYS A 96 7.243 18.898 -13.786 1.00 0.00 C ATOM 1521 O LYS A 96 8.015 19.491 -13.030 1.00 0.00 O ATOM 1522 CB LYS A 96 8.662 17.229 -14.982 1.00 0.00 C ATOM 1523 CG LYS A 96 9.065 16.582 -16.314 1.00 0.00 C ATOM 1524 CD LYS A 96 10.184 15.555 -16.103 1.00 0.00 C ATOM 1525 CE LYS A 96 11.560 16.237 -16.020 1.00 0.00 C ATOM 1526 NZ LYS A 96 12.529 15.459 -15.212 1.00 0.00 N ATOM 0 H LYS A 96 9.445 19.417 -15.828 1.00 0.00 H new ATOM 0 HA LYS A 96 6.902 18.122 -15.788 1.00 0.00 H new ATOM 0 HB2 LYS A 96 9.561 17.546 -14.454 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.172 16.482 -14.357 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.199 16.096 -16.764 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.398 17.351 -17.011 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.998 14.994 -15.187 1.00 0.00 H new ATOM 0 HD3 LYS A 96 10.181 14.837 -16.923 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.956 16.373 -17.026 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.444 17.230 -15.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 13.477 15.876 -15.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 12.243 15.480 -14.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 12.548 14.474 -15.546 1.00 0.00 H new ATOM 1540 N LEU A 97 6.005 18.571 -13.430 1.00 0.00 N ATOM 1541 CA LEU A 97 5.532 18.765 -12.060 1.00 0.00 C ATOM 1542 C LEU A 97 6.400 17.921 -11.111 1.00 0.00 C ATOM 1543 O LEU A 97 6.630 18.297 -9.966 1.00 0.00 O ATOM 1544 CB LEU A 97 4.048 18.386 -11.953 1.00 0.00 C ATOM 1545 CG LEU A 97 3.412 18.750 -10.594 1.00 0.00 C ATOM 1546 CD1 LEU A 97 3.428 20.264 -10.343 1.00 0.00 C ATOM 1547 CD2 LEU A 97 1.965 18.256 -10.570 1.00 0.00 C ATOM 0 H LEU A 97 5.313 18.173 -14.065 1.00 0.00 H new ATOM 0 HA LEU A 97 5.621 19.814 -11.777 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.496 18.886 -12.748 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.943 17.314 -12.118 1.00 0.00 H new ATOM 0 HG LEU A 97 3.998 18.271 -9.810 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.971 20.477 -9.376 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.457 20.622 -10.345 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.866 20.769 -11.129 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.510 18.510 -9.613 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.405 18.731 -11.376 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.947 17.174 -10.705 1.00 0.00 H new ATOM 1559 N SER A 98 6.945 16.818 -11.632 1.00 0.00 N ATOM 1560 CA SER A 98 7.890 15.911 -10.992 1.00 0.00 C ATOM 1561 C SER A 98 9.213 16.593 -10.594 1.00 0.00 C ATOM 1562 O SER A 98 9.976 16.032 -9.807 1.00 0.00 O ATOM 1563 CB SER A 98 8.146 14.762 -11.983 1.00 0.00 C ATOM 1564 OG SER A 98 6.912 14.370 -12.563 1.00 0.00 O ATOM 0 H SER A 98 6.718 16.518 -12.580 1.00 0.00 H new ATOM 0 HA SER A 98 7.463 15.550 -10.056 1.00 0.00 H new ATOM 0 HB2 SER A 98 8.842 15.082 -12.759 1.00 0.00 H new ATOM 0 HB3 SER A 98 8.606 13.918 -11.470 1.00 0.00 H new ATOM 0 HG SER A 98 7.030 14.241 -13.527 1.00 0.00 H new ATOM 1570 N ASP A 99 9.471 17.804 -11.102 1.00 0.00 N ATOM 1571 CA ASP A 99 10.698 18.570 -10.893 1.00 0.00 C ATOM 1572 C ASP A 99 10.340 19.949 -10.317 1.00 0.00 C ATOM 1573 O ASP A 99 11.189 20.833 -10.261 1.00 0.00 O ATOM 1574 CB ASP A 99 11.484 18.704 -12.216 1.00 0.00 C ATOM 1575 CG ASP A 99 12.262 17.448 -12.640 1.00 0.00 C ATOM 1576 OD1 ASP A 99 11.668 16.350 -12.737 1.00 0.00 O ATOM 1577 OD2 ASP A 99 13.458 17.573 -12.988 1.00 0.00 O ATOM 0 H ASP A 99 8.800 18.294 -11.694 1.00 0.00 H new ATOM 0 HA ASP A 99 11.339 18.047 -10.183 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.786 18.966 -13.011 1.00 0.00 H new ATOM 0 HB3 ASP A 99 12.185 19.533 -12.122 1.00 0.00 H new ATOM 1582 N ILE A 100 9.098 20.165 -9.875 1.00 0.00 N ATOM 1583 CA ILE A 100 8.626 21.429 -9.318 1.00 0.00 C ATOM 1584 C ILE A 100 8.271 21.194 -7.857 1.00 0.00 C ATOM 1585 O ILE A 100 7.795 20.128 -7.462 1.00 0.00 O ATOM 1586 CB ILE A 100 7.454 21.977 -10.173 1.00 0.00 C ATOM 1587 CG1 ILE A 100 8.031 22.755 -11.374 1.00 0.00 C ATOM 1588 CG2 ILE A 100 6.397 22.815 -9.420 1.00 0.00 C ATOM 1589 CD1 ILE A 100 8.315 24.243 -11.150 1.00 0.00 C ATOM 0 H ILE A 100 8.376 19.444 -9.897 1.00 0.00 H new ATOM 0 HA ILE A 100 9.396 22.200 -9.349 1.00 0.00 H new ATOM 0 HB ILE A 100 6.892 21.103 -10.501 1.00 0.00 H new ATOM 0 HG12 ILE A 100 8.960 22.272 -11.679 1.00 0.00 H new ATOM 0 HG13 ILE A 100 7.335 22.662 -12.207 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.628 23.144 -10.119 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.941 22.208 -8.638 1.00 0.00 H new ATOM 0 HG23 ILE A 100 6.875 23.686 -8.971 1.00 0.00 H new ATOM 0 HD11 ILE A 100 8.717 24.678 -12.065 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.390 24.753 -10.881 1.00 0.00 H new ATOM 0 HD13 ILE A 100 9.040 24.358 -10.345 1.00 0.00 H new ATOM 1601 N GLU A 101 8.486 22.240 -7.071 1.00 0.00 N ATOM 1602 CA GLU A 101 8.120 22.301 -5.666 1.00 0.00 C ATOM 1603 C GLU A 101 7.497 23.677 -5.443 1.00 0.00 C ATOM 1604 O GLU A 101 8.160 24.693 -5.660 1.00 0.00 O ATOM 1605 CB GLU A 101 9.376 22.057 -4.816 1.00 0.00 C ATOM 1606 CG GLU A 101 9.055 21.926 -3.322 1.00 0.00 C ATOM 1607 CD GLU A 101 10.326 21.672 -2.493 1.00 0.00 C ATOM 1608 OE1 GLU A 101 10.991 20.630 -2.693 1.00 0.00 O ATOM 1609 OE2 GLU A 101 10.666 22.507 -1.625 1.00 0.00 O ATOM 0 H GLU A 101 8.933 23.094 -7.405 1.00 0.00 H new ATOM 0 HA GLU A 101 7.399 21.537 -5.374 1.00 0.00 H new ATOM 0 HB2 GLU A 101 9.873 21.149 -5.159 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.077 22.879 -4.964 1.00 0.00 H new ATOM 0 HG2 GLU A 101 8.567 22.836 -2.972 1.00 0.00 H new ATOM 0 HG3 GLU A 101 8.351 21.108 -3.170 1.00 0.00 H new ATOM 1616 N ALA A 102 6.213 23.731 -5.081 1.00 0.00 N ATOM 1617 CA ALA A 102 5.529 25.004 -4.887 1.00 0.00 C ATOM 1618 C ALA A 102 6.071 25.712 -3.647 1.00 0.00 C ATOM 1619 O ALA A 102 6.496 25.078 -2.678 1.00 0.00 O ATOM 1620 CB ALA A 102 4.021 24.800 -4.743 1.00 0.00 C ATOM 0 H ALA A 102 5.631 22.909 -4.918 1.00 0.00 H new ATOM 0 HA ALA A 102 5.714 25.621 -5.766 1.00 0.00 H new ATOM 0 HB1 ALA A 102 3.535 25.765 -4.599 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.630 24.328 -5.644 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.821 24.162 -3.883 1.00 0.00 H new ATOM 1626 N ILE A 103 5.980 27.037 -3.674 1.00 0.00 N ATOM 1627 CA ILE A 103 6.405 27.925 -2.602 1.00 0.00 C ATOM 1628 C ILE A 103 5.159 28.665 -2.105 1.00 0.00 C ATOM 1629 O ILE A 103 4.407 29.234 -2.898 1.00 0.00 O ATOM 1630 CB ILE A 103 7.513 28.874 -3.121 1.00 0.00 C ATOM 1631 CG1 ILE A 103 8.792 28.092 -3.511 1.00 0.00 C ATOM 1632 CG2 ILE A 103 7.871 29.943 -2.071 1.00 0.00 C ATOM 1633 CD1 ILE A 103 9.787 28.920 -4.335 1.00 0.00 C ATOM 0 H ILE A 103 5.594 27.539 -4.473 1.00 0.00 H new ATOM 0 HA ILE A 103 6.842 27.381 -1.765 1.00 0.00 H new ATOM 0 HB ILE A 103 7.116 29.366 -4.009 1.00 0.00 H new ATOM 0 HG12 ILE A 103 9.285 27.742 -2.604 1.00 0.00 H new ATOM 0 HG13 ILE A 103 8.508 27.207 -4.081 1.00 0.00 H new ATOM 0 HG21 ILE A 103 8.652 30.593 -2.466 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.986 30.537 -1.840 1.00 0.00 H new ATOM 0 HG23 ILE A 103 8.229 29.456 -1.164 1.00 0.00 H new ATOM 0 HD11 ILE A 103 10.659 28.310 -4.573 1.00 0.00 H new ATOM 0 HD12 ILE A 103 9.310 29.248 -5.259 1.00 0.00 H new ATOM 0 HD13 ILE A 103 10.100 29.791 -3.759 1.00 0.00 H new ATOM 1645 N ASP A 104 4.988 28.677 -0.777 1.00 0.00 N ATOM 1646 CA ASP A 104 3.970 29.434 -0.039 1.00 0.00 C ATOM 1647 C ASP A 104 2.551 29.279 -0.617 1.00 0.00 C ATOM 1648 O ASP A 104 1.778 30.238 -0.692 1.00 0.00 O ATOM 1649 CB ASP A 104 4.424 30.897 0.118 1.00 0.00 C ATOM 1650 CG ASP A 104 3.524 31.701 1.076 1.00 0.00 C ATOM 1651 OD1 ASP A 104 3.205 31.210 2.183 1.00 0.00 O ATOM 1652 OD2 ASP A 104 3.183 32.864 0.759 1.00 0.00 O ATOM 0 H ASP A 104 5.587 28.131 -0.157 1.00 0.00 H new ATOM 0 HA ASP A 104 3.884 29.005 0.959 1.00 0.00 H new ATOM 0 HB2 ASP A 104 5.449 30.917 0.487 1.00 0.00 H new ATOM 0 HB3 ASP A 104 4.428 31.379 -0.860 1.00 0.00 H new ATOM 1657 N VAL A 105 2.217 28.068 -1.077 1.00 0.00 N ATOM 1658 CA VAL A 105 0.952 27.791 -1.758 1.00 0.00 C ATOM 1659 C VAL A 105 -0.104 27.276 -0.765 1.00 0.00 C ATOM 1660 O VAL A 105 0.205 26.994 0.398 1.00 0.00 O ATOM 1661 CB VAL A 105 1.220 26.876 -2.974 1.00 0.00 C ATOM 1662 CG1 VAL A 105 1.288 25.376 -2.649 1.00 0.00 C ATOM 1663 CG2 VAL A 105 0.247 27.178 -4.115 1.00 0.00 C ATOM 0 H VAL A 105 2.821 27.251 -0.986 1.00 0.00 H new ATOM 0 HA VAL A 105 0.516 28.706 -2.160 1.00 0.00 H new ATOM 0 HB VAL A 105 2.228 27.122 -3.307 1.00 0.00 H new ATOM 0 HG11 VAL A 105 1.479 24.814 -3.563 1.00 0.00 H new ATOM 0 HG12 VAL A 105 2.092 25.194 -1.936 1.00 0.00 H new ATOM 0 HG13 VAL A 105 0.341 25.054 -2.217 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.459 26.520 -4.957 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.775 27.014 -3.774 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.363 28.216 -4.427 1.00 0.00 H new ATOM 1673 N ASP A 106 -1.362 27.185 -1.211 1.00 0.00 N ATOM 1674 CA ASP A 106 -2.471 26.701 -0.391 1.00 0.00 C ATOM 1675 C ASP A 106 -2.363 25.192 -0.152 1.00 0.00 C ATOM 1676 O ASP A 106 -1.711 24.468 -0.907 1.00 0.00 O ATOM 1677 CB ASP A 106 -3.832 27.078 -1.007 1.00 0.00 C ATOM 1678 CG ASP A 106 -4.624 25.871 -1.539 1.00 0.00 C ATOM 1679 OD1 ASP A 106 -4.293 25.376 -2.638 1.00 0.00 O ATOM 1680 OD2 ASP A 106 -5.538 25.395 -0.828 1.00 0.00 O ATOM 0 H ASP A 106 -1.638 27.447 -2.157 1.00 0.00 H new ATOM 0 HA ASP A 106 -2.406 27.194 0.579 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -4.431 27.592 -0.256 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -3.669 27.783 -1.822 1.00 0.00 H new ATOM 1685 N ASP A 107 -3.035 24.719 0.897 1.00 0.00 N ATOM 1686 CA ASP A 107 -2.993 23.327 1.326 1.00 0.00 C ATOM 1687 C ASP A 107 -3.423 22.349 0.233 1.00 0.00 C ATOM 1688 O ASP A 107 -2.826 21.283 0.122 1.00 0.00 O ATOM 1689 CB ASP A 107 -3.875 23.146 2.565 1.00 0.00 C ATOM 1690 CG ASP A 107 -3.879 21.685 3.046 1.00 0.00 C ATOM 1691 OD1 ASP A 107 -2.872 21.241 3.643 1.00 0.00 O ATOM 1692 OD2 ASP A 107 -4.914 20.999 2.894 1.00 0.00 O ATOM 0 H ASP A 107 -3.633 25.304 1.480 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.954 23.096 1.561 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -3.516 23.793 3.366 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -4.894 23.457 2.336 1.00 0.00 H new ATOM 1697 N ASP A 108 -4.417 22.686 -0.594 1.00 0.00 N ATOM 1698 CA ASP A 108 -4.948 21.755 -1.585 1.00 0.00 C ATOM 1699 C ASP A 108 -3.987 21.633 -2.773 1.00 0.00 C ATOM 1700 O ASP A 108 -3.733 20.530 -3.261 1.00 0.00 O ATOM 1701 CB ASP A 108 -6.348 22.207 -2.033 1.00 0.00 C ATOM 1702 CG ASP A 108 -7.255 21.063 -2.524 1.00 0.00 C ATOM 1703 OD1 ASP A 108 -6.981 19.872 -2.259 1.00 0.00 O ATOM 1704 OD2 ASP A 108 -8.314 21.370 -3.118 1.00 0.00 O ATOM 0 H ASP A 108 -4.869 23.600 -0.594 1.00 0.00 H new ATOM 0 HA ASP A 108 -5.041 20.766 -1.136 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -6.838 22.712 -1.201 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -6.242 22.940 -2.833 1.00 0.00 H new ATOM 1709 N THR A 109 -3.380 22.750 -3.193 1.00 0.00 N ATOM 1710 CA THR A 109 -2.302 22.764 -4.175 1.00 0.00 C ATOM 1711 C THR A 109 -1.120 21.947 -3.645 1.00 0.00 C ATOM 1712 O THR A 109 -0.599 21.090 -4.362 1.00 0.00 O ATOM 1713 CB THR A 109 -1.910 24.223 -4.504 1.00 0.00 C ATOM 1714 OG1 THR A 109 -3.063 24.951 -4.864 1.00 0.00 O ATOM 1715 CG2 THR A 109 -0.954 24.336 -5.693 1.00 0.00 C ATOM 0 H THR A 109 -3.631 23.678 -2.853 1.00 0.00 H new ATOM 0 HA THR A 109 -2.632 22.302 -5.105 1.00 0.00 H new ATOM 0 HB THR A 109 -1.423 24.609 -3.609 1.00 0.00 H new ATOM 0 HG1 THR A 109 -3.367 25.481 -4.098 1.00 0.00 H new ATOM 0 HG21 THR A 109 -0.718 25.385 -5.872 1.00 0.00 H new ATOM 0 HG22 THR A 109 -0.036 23.790 -5.475 1.00 0.00 H new ATOM 0 HG23 THR A 109 -1.426 23.914 -6.580 1.00 0.00 H new ATOM 1723 N GLN A 110 -0.724 22.162 -2.384 1.00 0.00 N ATOM 1724 CA GLN A 110 0.392 21.447 -1.788 1.00 0.00 C ATOM 1725 C GLN A 110 0.083 19.945 -1.750 1.00 0.00 C ATOM 1726 O GLN A 110 0.927 19.151 -2.152 1.00 0.00 O ATOM 1727 CB GLN A 110 0.711 22.025 -0.395 1.00 0.00 C ATOM 1728 CG GLN A 110 2.186 21.859 0.009 1.00 0.00 C ATOM 1729 CD GLN A 110 2.630 20.400 0.134 1.00 0.00 C ATOM 1730 OE1 GLN A 110 2.176 19.667 1.009 1.00 0.00 O ATOM 1731 NE2 GLN A 110 3.521 19.945 -0.734 1.00 0.00 N ATOM 0 H GLN A 110 -1.170 22.833 -1.759 1.00 0.00 H new ATOM 0 HA GLN A 110 1.287 21.579 -2.396 1.00 0.00 H new ATOM 0 HB2 GLN A 110 0.455 23.084 -0.381 1.00 0.00 H new ATOM 0 HB3 GLN A 110 0.081 21.535 0.347 1.00 0.00 H new ATOM 0 HG2 GLN A 110 2.814 22.358 -0.729 1.00 0.00 H new ATOM 0 HG3 GLN A 110 2.351 22.363 0.961 1.00 0.00 H new ATOM 0 HE21 GLN A 110 3.891 20.563 -1.456 1.00 0.00 H new ATOM 0 HE22 GLN A 110 3.837 18.977 -0.680 1.00 0.00 H new ATOM 1740 N GLU A 111 -1.121 19.543 -1.338 1.00 0.00 N ATOM 1741 CA GLU A 111 -1.504 18.138 -1.264 1.00 0.00 C ATOM 1742 C GLU A 111 -1.468 17.475 -2.635 1.00 0.00 C ATOM 1743 O GLU A 111 -0.987 16.351 -2.737 1.00 0.00 O ATOM 1744 CB GLU A 111 -2.898 17.989 -0.639 1.00 0.00 C ATOM 1745 CG GLU A 111 -2.850 18.067 0.891 1.00 0.00 C ATOM 1746 CD GLU A 111 -2.378 16.741 1.518 1.00 0.00 C ATOM 1747 OE1 GLU A 111 -1.157 16.516 1.667 1.00 0.00 O ATOM 1748 OE2 GLU A 111 -3.227 15.891 1.872 1.00 0.00 O ATOM 0 H GLU A 111 -1.857 20.186 -1.046 1.00 0.00 H new ATOM 0 HA GLU A 111 -0.777 17.634 -0.628 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.553 18.772 -1.022 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.331 17.035 -0.940 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -2.179 18.871 1.193 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -3.840 18.318 1.273 1.00 0.00 H new ATOM 1755 N ALA A 112 -1.930 18.150 -3.689 1.00 0.00 N ATOM 1756 CA ALA A 112 -1.875 17.604 -5.041 1.00 0.00 C ATOM 1757 C ALA A 112 -0.426 17.386 -5.498 1.00 0.00 C ATOM 1758 O ALA A 112 -0.122 16.369 -6.122 1.00 0.00 O ATOM 1759 CB ALA A 112 -2.614 18.540 -5.996 1.00 0.00 C ATOM 0 H ALA A 112 -2.347 19.079 -3.629 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.363 16.629 -5.045 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -2.574 18.134 -7.007 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -3.654 18.632 -5.683 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -2.142 19.522 -5.981 1.00 0.00 H new ATOM 1765 N ILE A 113 0.474 18.320 -5.179 1.00 0.00 N ATOM 1766 CA ILE A 113 1.891 18.202 -5.512 1.00 0.00 C ATOM 1767 C ILE A 113 2.508 17.057 -4.709 1.00 0.00 C ATOM 1768 O ILE A 113 3.162 16.191 -5.289 1.00 0.00 O ATOM 1769 CB ILE A 113 2.583 19.554 -5.251 1.00 0.00 C ATOM 1770 CG1 ILE A 113 2.089 20.573 -6.298 1.00 0.00 C ATOM 1771 CG2 ILE A 113 4.119 19.449 -5.278 1.00 0.00 C ATOM 1772 CD1 ILE A 113 2.292 22.011 -5.842 1.00 0.00 C ATOM 0 H ILE A 113 0.238 19.179 -4.682 1.00 0.00 H new ATOM 0 HA ILE A 113 2.025 17.963 -6.567 1.00 0.00 H new ATOM 0 HB ILE A 113 2.318 19.884 -4.247 1.00 0.00 H new ATOM 0 HG12 ILE A 113 2.620 20.413 -7.237 1.00 0.00 H new ATOM 0 HG13 ILE A 113 1.031 20.403 -6.497 1.00 0.00 H new ATOM 0 HG21 ILE A 113 4.554 20.430 -5.088 1.00 0.00 H new ATOM 0 HG22 ILE A 113 4.450 18.751 -4.509 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.442 19.092 -6.256 1.00 0.00 H new ATOM 0 HD11 ILE A 113 1.929 22.692 -6.612 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.740 22.181 -4.918 1.00 0.00 H new ATOM 0 HD13 ILE A 113 3.353 22.191 -5.669 1.00 0.00 H new ATOM 1784 N ALA A 114 2.288 17.032 -3.393 1.00 0.00 N ATOM 1785 CA ALA A 114 2.793 15.989 -2.516 1.00 0.00 C ATOM 1786 C ALA A 114 2.316 14.624 -3.006 1.00 0.00 C ATOM 1787 O ALA A 114 3.119 13.708 -3.116 1.00 0.00 O ATOM 1788 CB ALA A 114 2.332 16.244 -1.078 1.00 0.00 C ATOM 0 H ALA A 114 1.747 17.747 -2.906 1.00 0.00 H new ATOM 0 HA ALA A 114 3.883 16.000 -2.533 1.00 0.00 H new ATOM 0 HB1 ALA A 114 2.715 15.457 -0.428 1.00 0.00 H new ATOM 0 HB2 ALA A 114 2.709 17.209 -0.741 1.00 0.00 H new ATOM 0 HB3 ALA A 114 1.243 16.247 -1.040 1.00 0.00 H new ATOM 1794 N ASP A 115 1.038 14.508 -3.367 1.00 0.00 N ATOM 1795 CA ASP A 115 0.447 13.282 -3.895 1.00 0.00 C ATOM 1796 C ASP A 115 1.123 12.829 -5.185 1.00 0.00 C ATOM 1797 O ASP A 115 1.466 11.655 -5.337 1.00 0.00 O ATOM 1798 CB ASP A 115 -1.052 13.476 -4.124 1.00 0.00 C ATOM 1799 CG ASP A 115 -1.733 12.210 -4.654 1.00 0.00 C ATOM 1800 OD1 ASP A 115 -1.309 11.089 -4.306 1.00 0.00 O ATOM 1801 OD2 ASP A 115 -2.805 12.336 -5.282 1.00 0.00 O ATOM 0 H ASP A 115 0.374 15.279 -3.299 1.00 0.00 H new ATOM 0 HA ASP A 115 0.602 12.498 -3.153 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -1.524 13.774 -3.188 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -1.206 14.291 -4.832 1.00 0.00 H new ATOM 1806 N TRP A 116 1.391 13.763 -6.099 1.00 0.00 N ATOM 1807 CA TRP A 116 2.112 13.429 -7.315 1.00 0.00 C ATOM 1808 C TRP A 116 3.521 12.931 -6.974 1.00 0.00 C ATOM 1809 O TRP A 116 3.969 11.940 -7.546 1.00 0.00 O ATOM 1810 CB TRP A 116 2.149 14.613 -8.287 1.00 0.00 C ATOM 1811 CG TRP A 116 2.883 14.294 -9.553 1.00 0.00 C ATOM 1812 CD1 TRP A 116 4.061 14.833 -9.938 1.00 0.00 C ATOM 1813 CD2 TRP A 116 2.573 13.264 -10.546 1.00 0.00 C ATOM 1814 NE1 TRP A 116 4.502 14.205 -11.083 1.00 0.00 N ATOM 1815 CE2 TRP A 116 3.643 13.209 -11.487 1.00 0.00 C ATOM 1816 CE3 TRP A 116 1.518 12.343 -10.727 1.00 0.00 C ATOM 1817 CZ2 TRP A 116 3.675 12.280 -12.538 1.00 0.00 C ATOM 1818 CZ3 TRP A 116 1.529 11.419 -11.790 1.00 0.00 C ATOM 1819 CH2 TRP A 116 2.609 11.378 -12.689 1.00 0.00 C ATOM 0 H TRP A 116 1.121 14.743 -6.017 1.00 0.00 H new ATOM 0 HA TRP A 116 1.580 12.623 -7.821 1.00 0.00 H new ATOM 0 HB2 TRP A 116 1.129 14.913 -8.528 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.625 15.464 -7.800 1.00 0.00 H new ATOM 0 HD1 TRP A 116 4.577 15.632 -9.427 1.00 0.00 H new ATOM 0 HE1 TRP A 116 5.363 14.450 -11.573 1.00 0.00 H new ATOM 0 HE3 TRP A 116 0.687 12.347 -10.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 4.510 12.259 -13.223 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 0.701 10.737 -11.915 1.00 0.00 H new ATOM 0 HH2 TRP A 116 2.619 10.656 -13.492 1.00 0.00 H new ATOM 1830 N LEU A 117 4.210 13.563 -6.019 1.00 0.00 N ATOM 1831 CA LEU A 117 5.555 13.159 -5.616 1.00 0.00 C ATOM 1832 C LEU A 117 5.539 11.816 -4.876 1.00 0.00 C ATOM 1833 O LEU A 117 6.465 11.026 -5.053 1.00 0.00 O ATOM 1834 CB LEU A 117 6.214 14.258 -4.766 1.00 0.00 C ATOM 1835 CG LEU A 117 6.516 15.558 -5.545 1.00 0.00 C ATOM 1836 CD1 LEU A 117 6.971 16.649 -4.570 1.00 0.00 C ATOM 1837 CD2 LEU A 117 7.583 15.363 -6.631 1.00 0.00 C ATOM 0 H LEU A 117 3.849 14.367 -5.506 1.00 0.00 H new ATOM 0 HA LEU A 117 6.152 13.022 -6.518 1.00 0.00 H new ATOM 0 HB2 LEU A 117 5.561 14.493 -3.925 1.00 0.00 H new ATOM 0 HB3 LEU A 117 7.144 13.872 -4.349 1.00 0.00 H new ATOM 0 HG LEU A 117 5.594 15.854 -6.046 1.00 0.00 H new ATOM 0 HD11 LEU A 117 7.183 17.565 -5.122 1.00 0.00 H new ATOM 0 HD12 LEU A 117 6.182 16.839 -3.842 1.00 0.00 H new ATOM 0 HD13 LEU A 117 7.872 16.321 -4.051 1.00 0.00 H new ATOM 0 HD21 LEU A 117 7.755 16.308 -7.146 1.00 0.00 H new ATOM 0 HD22 LEU A 117 8.512 15.026 -6.172 1.00 0.00 H new ATOM 0 HD23 LEU A 117 7.241 14.616 -7.348 1.00 0.00 H new ATOM 1849 N TYR A 118 4.497 11.510 -4.098 1.00 0.00 N ATOM 1850 CA TYR A 118 4.317 10.209 -3.462 1.00 0.00 C ATOM 1851 C TYR A 118 4.193 9.127 -4.527 1.00 0.00 C ATOM 1852 O TYR A 118 4.846 8.089 -4.435 1.00 0.00 O ATOM 1853 CB TYR A 118 3.038 10.183 -2.609 1.00 0.00 C ATOM 1854 CG TYR A 118 2.948 11.114 -1.411 1.00 0.00 C ATOM 1855 CD1 TYR A 118 4.085 11.541 -0.694 1.00 0.00 C ATOM 1856 CD2 TYR A 118 1.676 11.571 -1.022 1.00 0.00 C ATOM 1857 CE1 TYR A 118 3.946 12.435 0.385 1.00 0.00 C ATOM 1858 CE2 TYR A 118 1.533 12.499 0.017 1.00 0.00 C ATOM 1859 CZ TYR A 118 2.667 12.921 0.745 1.00 0.00 C ATOM 1860 OH TYR A 118 2.506 13.778 1.794 1.00 0.00 O ATOM 0 H TYR A 118 3.747 12.170 -3.892 1.00 0.00 H new ATOM 0 HA TYR A 118 5.183 10.029 -2.826 1.00 0.00 H new ATOM 0 HB2 TYR A 118 2.197 10.405 -3.266 1.00 0.00 H new ATOM 0 HB3 TYR A 118 2.900 9.164 -2.248 1.00 0.00 H new ATOM 0 HD1 TYR A 118 5.064 11.182 -0.973 1.00 0.00 H new ATOM 0 HD2 TYR A 118 0.798 11.201 -1.531 1.00 0.00 H new ATOM 0 HE1 TYR A 118 4.818 12.750 0.939 1.00 0.00 H new ATOM 0 HE2 TYR A 118 0.557 12.891 0.261 1.00 0.00 H new ATOM 0 HH TYR A 118 1.557 14.004 1.889 1.00 0.00 H new ATOM 1870 N TRP A 119 3.368 9.371 -5.546 1.00 0.00 N ATOM 1871 CA TRP A 119 3.150 8.452 -6.639 1.00 0.00 C ATOM 1872 C TRP A 119 4.455 8.271 -7.413 1.00 0.00 C ATOM 1873 O TRP A 119 4.838 7.140 -7.718 1.00 0.00 O ATOM 1874 CB TRP A 119 2.022 9.029 -7.491 1.00 0.00 C ATOM 1875 CG TRP A 119 1.724 8.298 -8.749 1.00 0.00 C ATOM 1876 CD1 TRP A 119 2.170 8.651 -9.972 1.00 0.00 C ATOM 1877 CD2 TRP A 119 0.936 7.086 -8.936 1.00 0.00 C ATOM 1878 NE1 TRP A 119 1.633 7.801 -10.916 1.00 0.00 N ATOM 1879 CE2 TRP A 119 0.885 6.800 -10.331 1.00 0.00 C ATOM 1880 CE3 TRP A 119 0.268 6.196 -8.067 1.00 0.00 C ATOM 1881 CZ2 TRP A 119 0.202 5.683 -10.835 1.00 0.00 C ATOM 1882 CZ3 TRP A 119 -0.431 5.080 -8.565 1.00 0.00 C ATOM 1883 CH2 TRP A 119 -0.464 4.822 -9.947 1.00 0.00 C ATOM 0 H TRP A 119 2.827 10.232 -5.627 1.00 0.00 H new ATOM 0 HA TRP A 119 2.855 7.460 -6.298 1.00 0.00 H new ATOM 0 HB2 TRP A 119 1.115 9.060 -6.887 1.00 0.00 H new ATOM 0 HB3 TRP A 119 2.273 10.060 -7.742 1.00 0.00 H new ATOM 0 HD1 TRP A 119 2.842 9.471 -10.179 1.00 0.00 H new ATOM 0 HE1 TRP A 119 1.772 7.900 -11.922 1.00 0.00 H new ATOM 0 HE3 TRP A 119 0.294 6.374 -7.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 0.188 5.487 -11.897 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -0.944 4.419 -7.882 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -1.000 3.964 -10.325 1.00 0.00 H new ATOM 1894 N LEU A 120 5.186 9.367 -7.641 1.00 0.00 N ATOM 1895 CA LEU A 120 6.480 9.345 -8.297 1.00 0.00 C ATOM 1896 C LEU A 120 7.426 8.399 -7.539 1.00 0.00 C ATOM 1897 O LEU A 120 8.007 7.484 -8.124 1.00 0.00 O ATOM 1898 CB LEU A 120 7.068 10.773 -8.331 1.00 0.00 C ATOM 1899 CG LEU A 120 7.998 11.004 -9.530 1.00 0.00 C ATOM 1900 CD1 LEU A 120 7.159 11.432 -10.738 1.00 0.00 C ATOM 1901 CD2 LEU A 120 9.023 12.101 -9.217 1.00 0.00 C ATOM 0 H LEU A 120 4.884 10.302 -7.368 1.00 0.00 H new ATOM 0 HA LEU A 120 6.365 8.986 -9.320 1.00 0.00 H new ATOM 0 HB2 LEU A 120 6.253 11.496 -8.364 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.619 10.956 -7.409 1.00 0.00 H new ATOM 0 HG LEU A 120 8.530 10.078 -9.746 1.00 0.00 H new ATOM 0 HD11 LEU A 120 7.813 11.598 -11.594 1.00 0.00 H new ATOM 0 HD12 LEU A 120 6.440 10.649 -10.977 1.00 0.00 H new ATOM 0 HD13 LEU A 120 6.627 12.354 -10.503 1.00 0.00 H new ATOM 0 HD21 LEU A 120 9.672 12.249 -10.080 1.00 0.00 H new ATOM 0 HD22 LEU A 120 8.502 13.032 -8.991 1.00 0.00 H new ATOM 0 HD23 LEU A 120 9.624 11.803 -8.358 1.00 0.00 H new ATOM 1913 N ALA A 121 7.530 8.592 -6.216 1.00 0.00 N ATOM 1914 CA ALA A 121 8.379 7.812 -5.321 1.00 0.00 C ATOM 1915 C ALA A 121 7.953 6.344 -5.234 1.00 0.00 C ATOM 1916 O ALA A 121 8.783 5.481 -4.946 1.00 0.00 O ATOM 1917 CB ALA A 121 8.368 8.449 -3.927 1.00 0.00 C ATOM 0 H ALA A 121 7.006 9.320 -5.730 1.00 0.00 H new ATOM 0 HA ALA A 121 9.388 7.822 -5.732 1.00 0.00 H new ATOM 0 HB1 ALA A 121 9.001 7.868 -3.257 1.00 0.00 H new ATOM 0 HB2 ALA A 121 8.746 9.469 -3.990 1.00 0.00 H new ATOM 0 HB3 ALA A 121 7.349 8.463 -3.541 1.00 0.00 H new ATOM 1923 N ARG A 122 6.677 6.042 -5.488 1.00 0.00 N ATOM 1924 CA ARG A 122 6.137 4.685 -5.436 1.00 0.00 C ATOM 1925 C ARG A 122 6.593 3.810 -6.609 1.00 0.00 C ATOM 1926 O ARG A 122 6.289 2.615 -6.603 1.00 0.00 O ATOM 1927 CB ARG A 122 4.597 4.744 -5.318 1.00 0.00 C ATOM 1928 CG ARG A 122 4.066 4.326 -3.936 1.00 0.00 C ATOM 1929 CD ARG A 122 4.469 2.907 -3.503 1.00 0.00 C ATOM 1930 NE ARG A 122 4.191 1.907 -4.551 1.00 0.00 N ATOM 1931 CZ ARG A 122 3.007 1.337 -4.813 1.00 0.00 C ATOM 1932 NH1 ARG A 122 1.942 1.587 -4.063 1.00 0.00 N ATOM 1933 NH2 ARG A 122 2.888 0.514 -5.849 1.00 0.00 N ATOM 0 H ARG A 122 5.982 6.745 -5.739 1.00 0.00 H new ATOM 0 HA ARG A 122 6.541 4.200 -4.548 1.00 0.00 H new ATOM 0 HB2 ARG A 122 4.264 5.759 -5.534 1.00 0.00 H new ATOM 0 HB3 ARG A 122 4.158 4.096 -6.077 1.00 0.00 H new ATOM 0 HG2 ARG A 122 4.427 5.036 -3.192 1.00 0.00 H new ATOM 0 HG3 ARG A 122 2.978 4.396 -3.942 1.00 0.00 H new ATOM 0 HD2 ARG A 122 5.531 2.891 -3.260 1.00 0.00 H new ATOM 0 HD3 ARG A 122 3.930 2.639 -2.594 1.00 0.00 H new ATOM 0 HE ARG A 122 4.978 1.621 -5.134 1.00 0.00 H new ATOM 0 HH11 ARG A 122 2.015 2.224 -3.270 1.00 0.00 H new ATOM 0 HH12 ARG A 122 1.050 1.143 -4.280 1.00 0.00 H new ATOM 0 HH21 ARG A 122 3.696 0.319 -6.441 1.00 0.00 H new ATOM 0 HH22 ARG A 122 1.989 0.077 -6.053 1.00 0.00 H new