USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 696 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 TYR OH : rot 122:sc= 0.0841 USER MOD Set 1.2: A 69 HIS : no HD1:sc= -0.197 X(o=-0.11,f=0.061) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 24 LYS NZ :NH3+ -126:sc= -3.85! (180deg=-4.39!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 170:sc= -4.8! USER MOD Single : A 29 SER OG : rot 38:sc= 0.561 USER MOD Single : A 30 MET CE :methyl -118:sc= -1.32 (180deg=-4.15!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0458 USER MOD Single : A 38 SER OG : rot -16:sc= 0.797 USER MOD Single : A 48 ASN : amide:sc= -1.82 K(o=-1.8,f=-5.7!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= -0.156 X(o=-0.16,f=-0.046) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 68:sc= 0.00126 USER MOD Single : A 92 TYR OH : rot 180:sc= -0.608 USER MOD Single : A 99 HIS :FLIP no HE2:sc= -0.681 F(o=-1.4,f=-0.68) USER MOD Single : A 100 THR OG1 : rot 35:sc= 1.2 USER MOD Single : A 108 SER OG : rot -98:sc= -0.0552 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot -171:sc= 0.452 USER MOD ----------------------------------------------------------------- ATOM 214 N PRO A 18 6.989 -12.319 -5.337 1.00 0.00 N ATOM 215 CA PRO A 18 5.836 -12.551 -4.462 1.00 0.00 C ATOM 216 C PRO A 18 4.512 -12.258 -5.159 1.00 0.00 C ATOM 217 O PRO A 18 4.424 -11.355 -5.991 1.00 0.00 O ATOM 218 CB PRO A 18 6.062 -11.570 -3.309 1.00 0.00 C ATOM 219 CG PRO A 18 6.898 -10.484 -3.894 1.00 0.00 C ATOM 220 CD PRO A 18 7.775 -11.145 -4.921 1.00 0.00 C ATOM 0 HA PRO A 18 5.767 -13.592 -4.146 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.117 -11.181 -2.929 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.568 -12.052 -2.472 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.275 -9.714 -4.350 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.497 -9.995 -3.125 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.981 -10.481 -5.761 1.00 0.00 H new ATOM 0 HD3 PRO A 18 8.738 -11.435 -4.500 1.00 0.00 H new ATOM 228 N SER A 19 3.484 -13.027 -4.813 1.00 0.00 N ATOM 229 CA SER A 19 2.164 -12.851 -5.408 1.00 0.00 C ATOM 230 C SER A 19 1.220 -12.148 -4.438 1.00 0.00 C ATOM 231 O SER A 19 0.676 -11.087 -4.743 1.00 0.00 O ATOM 232 CB SER A 19 1.580 -14.206 -5.813 1.00 0.00 C ATOM 233 OG SER A 19 0.222 -14.081 -6.199 1.00 0.00 O ATOM 0 H SER A 19 3.540 -13.777 -4.124 1.00 0.00 H new ATOM 0 HA SER A 19 2.273 -12.229 -6.297 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.159 -14.623 -6.637 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.662 -14.904 -4.980 1.00 0.00 H new ATOM 0 HG SER A 19 -0.128 -14.960 -6.455 1.00 0.00 H new ATOM 239 N ALA A 20 1.031 -12.747 -3.267 1.00 0.00 N ATOM 240 CA ALA A 20 0.155 -12.178 -2.250 1.00 0.00 C ATOM 241 C ALA A 20 0.747 -10.898 -1.669 1.00 0.00 C ATOM 242 O ALA A 20 0.209 -9.804 -1.839 1.00 0.00 O ATOM 243 CB ALA A 20 -0.101 -13.192 -1.146 1.00 0.00 C ATOM 0 H ALA A 20 1.473 -13.626 -2.999 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.794 -11.926 -2.723 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.757 -12.753 -0.394 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.575 -14.078 -1.568 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.845 -13.473 -0.683 1.00 0.00 H new ATOM 249 N PRO A 21 1.881 -11.036 -0.965 1.00 0.00 N ATOM 250 CA PRO A 21 2.570 -9.901 -0.344 1.00 0.00 C ATOM 251 C PRO A 21 3.207 -8.975 -1.375 1.00 0.00 C ATOM 252 O PRO A 21 3.789 -9.417 -2.366 1.00 0.00 O ATOM 253 CB PRO A 21 3.648 -10.568 0.515 1.00 0.00 C ATOM 254 CG PRO A 21 3.896 -11.882 -0.141 1.00 0.00 C ATOM 255 CD PRO A 21 2.577 -12.311 -0.722 1.00 0.00 C ATOM 0 HA PRO A 21 1.886 -9.268 0.222 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.556 -9.965 0.550 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.311 -10.696 1.544 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.654 -11.793 -0.919 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.262 -12.614 0.579 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.709 -12.879 -1.643 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.022 -12.947 -0.032 1.00 0.00 H new ATOM 263 N PRO A 22 3.096 -7.660 -1.138 1.00 0.00 N ATOM 264 CA PRO A 22 2.405 -7.122 0.038 1.00 0.00 C ATOM 265 C PRO A 22 0.897 -7.337 -0.028 1.00 0.00 C ATOM 266 O PRO A 22 0.255 -6.994 -1.021 1.00 0.00 O ATOM 267 CB PRO A 22 2.735 -5.628 -0.009 1.00 0.00 C ATOM 268 CG PRO A 22 3.010 -5.346 -1.446 1.00 0.00 C ATOM 269 CD PRO A 22 3.636 -6.596 -2.001 1.00 0.00 C ATOM 0 HA PRO A 22 2.722 -7.613 0.958 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.904 -5.027 0.360 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.599 -5.394 0.613 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.091 -5.100 -1.978 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.679 -4.493 -1.555 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.367 -6.751 -3.046 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.724 -6.555 -1.955 1.00 0.00 H new ATOM 277 N GLN A 23 0.338 -7.907 1.035 1.00 0.00 N ATOM 278 CA GLN A 23 -1.096 -8.167 1.096 1.00 0.00 C ATOM 279 C GLN A 23 -1.739 -7.402 2.249 1.00 0.00 C ATOM 280 O GLN A 23 -1.067 -6.664 2.970 1.00 0.00 O ATOM 281 CB GLN A 23 -1.357 -9.666 1.255 1.00 0.00 C ATOM 282 CG GLN A 23 -0.550 -10.309 2.371 1.00 0.00 C ATOM 283 CD GLN A 23 -0.792 -11.802 2.480 1.00 0.00 C ATOM 284 OE1 GLN A 23 -1.875 -12.292 2.159 1.00 0.00 O ATOM 285 NE2 GLN A 23 0.218 -12.534 2.935 1.00 0.00 N ATOM 0 H GLN A 23 0.855 -8.197 1.865 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.542 -7.824 0.163 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -2.418 -9.823 1.448 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.126 -10.168 0.315 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.511 -10.128 2.198 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.804 -9.833 3.318 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.098 -12.086 3.189 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.114 -13.544 3.030 1.00 0.00 H new ATOM 294 N LYS A 24 -3.044 -7.583 2.416 1.00 0.00 N ATOM 295 CA LYS A 24 -3.780 -6.911 3.481 1.00 0.00 C ATOM 296 C LYS A 24 -3.209 -5.521 3.744 1.00 0.00 C ATOM 297 O LYS A 24 -3.024 -5.122 4.893 1.00 0.00 O ATOM 298 CB LYS A 24 -3.734 -7.743 4.764 1.00 0.00 C ATOM 299 CG LYS A 24 -3.591 -9.235 4.517 1.00 0.00 C ATOM 300 CD LYS A 24 -4.220 -10.049 5.636 1.00 0.00 C ATOM 301 CE LYS A 24 -3.343 -10.057 6.879 1.00 0.00 C ATOM 302 NZ LYS A 24 -3.313 -8.726 7.546 1.00 0.00 N ATOM 0 H LYS A 24 -3.615 -8.190 1.827 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.816 -6.804 3.161 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.900 -7.403 5.378 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.644 -7.564 5.336 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.061 -9.494 3.569 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.535 -9.491 4.429 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.198 -9.636 5.882 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.382 -11.072 5.297 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.713 -10.806 7.579 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.329 -10.349 6.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.326 -8.419 7.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.823 -8.033 6.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.769 -8.795 8.478 1.00 0.00 H new ATOM 316 N VAL A 25 -2.933 -4.787 2.670 1.00 0.00 N ATOM 317 CA VAL A 25 -2.385 -3.441 2.785 1.00 0.00 C ATOM 318 C VAL A 25 -3.396 -2.488 3.414 1.00 0.00 C ATOM 319 O VAL A 25 -4.423 -2.173 2.815 1.00 0.00 O ATOM 320 CB VAL A 25 -1.962 -2.888 1.411 1.00 0.00 C ATOM 321 CG1 VAL A 25 -1.269 -1.543 1.566 1.00 0.00 C ATOM 322 CG2 VAL A 25 -1.062 -3.881 0.691 1.00 0.00 C ATOM 0 H VAL A 25 -3.080 -5.102 1.711 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.507 -3.511 3.427 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.858 -2.740 0.807 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.978 -1.169 0.585 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.951 -0.835 2.037 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.381 -1.661 2.188 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.773 -3.474 -0.278 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.169 -4.063 1.289 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.598 -4.819 0.545 1.00 0.00 H new ATOM 332 N MET A 26 -3.096 -2.034 4.627 1.00 0.00 N ATOM 333 CA MET A 26 -3.978 -1.115 5.337 1.00 0.00 C ATOM 334 C MET A 26 -3.361 0.277 5.420 1.00 0.00 C ATOM 335 O MET A 26 -2.321 0.469 6.052 1.00 0.00 O ATOM 336 CB MET A 26 -4.270 -1.641 6.744 1.00 0.00 C ATOM 337 CG MET A 26 -5.150 -2.880 6.760 1.00 0.00 C ATOM 338 SD MET A 26 -5.135 -3.722 8.354 1.00 0.00 S ATOM 339 CE MET A 26 -6.140 -5.159 7.987 1.00 0.00 C ATOM 0 H MET A 26 -2.250 -2.287 5.138 1.00 0.00 H new ATOM 0 HA MET A 26 -4.913 -1.045 4.781 1.00 0.00 H new ATOM 0 HB2 MET A 26 -3.327 -1.869 7.241 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.753 -0.855 7.324 1.00 0.00 H new ATOM 0 HG2 MET A 26 -6.173 -2.597 6.512 1.00 0.00 H new ATOM 0 HG3 MET A 26 -4.814 -3.570 5.986 1.00 0.00 H new ATOM 0 HE1 MET A 26 -6.225 -5.781 8.878 1.00 0.00 H new ATOM 0 HE2 MET A 26 -7.133 -4.838 7.673 1.00 0.00 H new ATOM 0 HE3 MET A 26 -5.675 -5.734 7.186 1.00 0.00 H new ATOM 349 N CYS A 27 -4.006 1.244 4.778 1.00 0.00 N ATOM 350 CA CYS A 27 -3.519 2.619 4.778 1.00 0.00 C ATOM 351 C CYS A 27 -4.369 3.497 5.691 1.00 0.00 C ATOM 352 O CYS A 27 -5.575 3.287 5.826 1.00 0.00 O ATOM 353 CB CYS A 27 -3.526 3.185 3.357 1.00 0.00 C ATOM 354 SG CYS A 27 -2.519 2.246 2.185 1.00 0.00 S ATOM 0 H CYS A 27 -4.867 1.102 4.251 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.496 2.616 5.155 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.553 3.215 2.994 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.167 4.214 3.385 1.00 0.00 H new ATOM 0 HG CYS A 27 -2.753 2.666 0.977 1.00 0.00 H new ATOM 360 N VAL A 28 -3.732 4.480 6.319 1.00 0.00 N ATOM 361 CA VAL A 28 -4.429 5.390 7.220 1.00 0.00 C ATOM 362 C VAL A 28 -3.846 6.797 7.141 1.00 0.00 C ATOM 363 O VAL A 28 -2.631 6.972 7.050 1.00 0.00 O ATOM 364 CB VAL A 28 -4.358 4.899 8.679 1.00 0.00 C ATOM 365 CG1 VAL A 28 -5.237 3.673 8.872 1.00 0.00 C ATOM 366 CG2 VAL A 28 -2.919 4.601 9.071 1.00 0.00 C ATOM 0 H VAL A 28 -2.734 4.667 6.220 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.471 5.413 6.902 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.731 5.690 9.330 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.175 3.340 9.908 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.270 3.925 8.633 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.897 2.874 8.213 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.887 4.255 10.104 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.517 3.827 8.417 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.320 5.506 8.973 1.00 0.00 H new ATOM 376 N SER A 29 -4.721 7.797 7.175 1.00 0.00 N ATOM 377 CA SER A 29 -4.294 9.189 7.103 1.00 0.00 C ATOM 378 C SER A 29 -3.721 9.651 8.440 1.00 0.00 C ATOM 379 O SER A 29 -4.431 9.717 9.442 1.00 0.00 O ATOM 380 CB SER A 29 -5.467 10.085 6.702 1.00 0.00 C ATOM 381 OG SER A 29 -6.495 10.046 7.676 1.00 0.00 O ATOM 0 H SER A 29 -5.730 7.669 7.252 1.00 0.00 H new ATOM 0 HA SER A 29 -3.513 9.265 6.346 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.119 11.110 6.577 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.862 9.763 5.739 1.00 0.00 H new ATOM 0 HG SER A 29 -6.097 10.001 8.570 1.00 0.00 H new ATOM 387 N MET A 30 -2.431 9.970 8.445 1.00 0.00 N ATOM 388 CA MET A 30 -1.762 10.427 9.657 1.00 0.00 C ATOM 389 C MET A 30 -2.245 11.818 10.053 1.00 0.00 C ATOM 390 O MET A 30 -2.564 12.068 11.215 1.00 0.00 O ATOM 391 CB MET A 30 -0.245 10.440 9.454 1.00 0.00 C ATOM 392 CG MET A 30 0.406 9.081 9.654 1.00 0.00 C ATOM 393 SD MET A 30 0.161 8.431 11.318 1.00 0.00 S ATOM 394 CE MET A 30 -1.178 7.275 11.036 1.00 0.00 C ATOM 0 H MET A 30 -1.828 9.920 7.624 1.00 0.00 H new ATOM 0 HA MET A 30 -2.008 9.734 10.461 1.00 0.00 H new ATOM 0 HB2 MET A 30 -0.024 10.795 8.447 1.00 0.00 H new ATOM 0 HB3 MET A 30 0.200 11.153 10.148 1.00 0.00 H new ATOM 0 HG2 MET A 30 -0.003 8.377 8.929 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.474 9.161 9.453 1.00 0.00 H new ATOM 0 HE1 MET A 30 -2.050 7.580 11.614 1.00 0.00 H new ATOM 0 HE2 MET A 30 -1.432 7.264 9.976 1.00 0.00 H new ATOM 0 HE3 MET A 30 -0.868 6.277 11.346 1.00 0.00 H new ATOM 404 N GLY A 31 -2.297 12.722 9.079 1.00 0.00 N ATOM 405 CA GLY A 31 -2.743 14.077 9.347 1.00 0.00 C ATOM 406 C GLY A 31 -3.562 14.654 8.210 1.00 0.00 C ATOM 407 O GLY A 31 -4.621 14.126 7.868 1.00 0.00 O ATOM 0 H GLY A 31 -2.038 12.540 8.109 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.338 14.086 10.260 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.876 14.713 9.525 1.00 0.00 H new ATOM 411 N SER A 32 -3.073 15.741 7.622 1.00 0.00 N ATOM 412 CA SER A 32 -3.769 16.393 6.520 1.00 0.00 C ATOM 413 C SER A 32 -2.969 16.277 5.226 1.00 0.00 C ATOM 414 O SER A 32 -3.535 16.143 4.141 1.00 0.00 O ATOM 415 CB SER A 32 -4.019 17.866 6.847 1.00 0.00 C ATOM 416 OG SER A 32 -4.167 18.061 8.243 1.00 0.00 O ATOM 0 H SER A 32 -2.197 16.189 7.891 1.00 0.00 H new ATOM 0 HA SER A 32 -4.726 15.891 6.381 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.189 18.469 6.478 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.916 18.209 6.332 1.00 0.00 H new ATOM 0 HG SER A 32 -4.324 19.011 8.426 1.00 0.00 H new ATOM 422 N THR A 33 -1.646 16.328 5.349 1.00 0.00 N ATOM 423 CA THR A 33 -0.766 16.230 4.192 1.00 0.00 C ATOM 424 C THR A 33 0.192 15.052 4.327 1.00 0.00 C ATOM 425 O THR A 33 1.182 14.956 3.601 1.00 0.00 O ATOM 426 CB THR A 33 0.051 17.521 3.996 1.00 0.00 C ATOM 427 OG1 THR A 33 1.148 17.552 4.916 1.00 0.00 O ATOM 428 CG2 THR A 33 -0.822 18.750 4.199 1.00 0.00 C ATOM 0 H THR A 33 -1.161 16.437 6.240 1.00 0.00 H new ATOM 0 HA THR A 33 -1.405 16.077 3.322 1.00 0.00 H new ATOM 0 HB THR A 33 0.433 17.531 2.975 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.663 18.375 4.783 1.00 0.00 H new ATOM 0 HG21 THR A 33 -0.223 19.649 4.055 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.639 18.739 3.478 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.230 18.743 5.210 1.00 0.00 H new ATOM 436 N THR A 34 -0.109 14.156 5.262 1.00 0.00 N ATOM 437 CA THR A 34 0.726 12.983 5.493 1.00 0.00 C ATOM 438 C THR A 34 -0.123 11.728 5.657 1.00 0.00 C ATOM 439 O THR A 34 -1.188 11.762 6.275 1.00 0.00 O ATOM 440 CB THR A 34 1.608 13.160 6.743 1.00 0.00 C ATOM 441 OG1 THR A 34 2.588 14.179 6.511 1.00 0.00 O ATOM 442 CG2 THR A 34 2.302 11.855 7.104 1.00 0.00 C ATOM 0 H THR A 34 -0.924 14.220 5.871 1.00 0.00 H new ATOM 0 HA THR A 34 1.367 12.873 4.618 1.00 0.00 H new ATOM 0 HB THR A 34 0.967 13.455 7.574 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.144 14.287 7.311 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.919 12.004 7.990 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.554 11.089 7.308 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.931 11.535 6.273 1.00 0.00 H new ATOM 450 N VAL A 35 0.355 10.619 5.102 1.00 0.00 N ATOM 451 CA VAL A 35 -0.359 9.351 5.189 1.00 0.00 C ATOM 452 C VAL A 35 0.582 8.215 5.571 1.00 0.00 C ATOM 453 O VAL A 35 1.743 8.192 5.161 1.00 0.00 O ATOM 454 CB VAL A 35 -1.050 9.004 3.857 1.00 0.00 C ATOM 455 CG1 VAL A 35 -1.715 7.638 3.940 1.00 0.00 C ATOM 456 CG2 VAL A 35 -2.063 10.077 3.486 1.00 0.00 C ATOM 0 H VAL A 35 1.234 10.573 4.587 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.117 9.467 5.964 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.292 8.966 3.074 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.198 7.410 2.990 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.963 6.880 4.156 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.462 7.644 4.734 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.541 9.815 2.542 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.819 10.150 4.268 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.556 11.036 3.382 1.00 0.00 H new ATOM 466 N ARG A 36 0.075 7.273 6.360 1.00 0.00 N ATOM 467 CA ARG A 36 0.871 6.133 6.799 1.00 0.00 C ATOM 468 C ARG A 36 0.290 4.827 6.266 1.00 0.00 C ATOM 469 O ARG A 36 -0.753 4.364 6.729 1.00 0.00 O ATOM 470 CB ARG A 36 0.937 6.089 8.326 1.00 0.00 C ATOM 471 CG ARG A 36 1.659 4.866 8.869 1.00 0.00 C ATOM 472 CD ARG A 36 1.155 4.491 10.254 1.00 0.00 C ATOM 473 NE ARG A 36 1.847 5.231 11.307 1.00 0.00 N ATOM 474 CZ ARG A 36 1.645 5.025 12.604 1.00 0.00 C ATOM 475 NH1 ARG A 36 0.776 4.108 13.005 1.00 0.00 N ATOM 476 NH2 ARG A 36 2.313 5.738 13.501 1.00 0.00 N ATOM 0 H ARG A 36 -0.884 7.277 6.708 1.00 0.00 H new ATOM 0 HA ARG A 36 1.879 6.251 6.402 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.440 6.987 8.686 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.077 6.109 8.726 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.516 4.026 8.189 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.730 5.063 8.911 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.085 4.688 10.316 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.292 3.421 10.412 1.00 0.00 H new ATOM 0 HE ARG A 36 2.522 5.944 11.031 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.261 3.559 12.317 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.623 3.952 14.001 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.982 6.445 13.195 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.158 5.580 14.497 1.00 0.00 H new ATOM 490 N VAL A 37 0.971 4.237 5.288 1.00 0.00 N ATOM 491 CA VAL A 37 0.524 2.984 4.692 1.00 0.00 C ATOM 492 C VAL A 37 1.314 1.802 5.241 1.00 0.00 C ATOM 493 O VAL A 37 2.533 1.873 5.392 1.00 0.00 O ATOM 494 CB VAL A 37 0.661 3.012 3.158 1.00 0.00 C ATOM 495 CG1 VAL A 37 1.988 3.634 2.752 1.00 0.00 C ATOM 496 CG2 VAL A 37 0.524 1.609 2.586 1.00 0.00 C ATOM 0 H VAL A 37 1.835 4.607 4.892 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.528 2.866 4.953 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.141 3.627 2.750 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.067 3.645 1.665 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.042 4.655 3.130 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.807 3.048 3.169 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.623 1.647 1.501 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.304 0.970 3.000 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.454 1.204 2.847 1.00 0.00 H new ATOM 506 N SER A 38 0.610 0.714 5.538 1.00 0.00 N ATOM 507 CA SER A 38 1.245 -0.485 6.074 1.00 0.00 C ATOM 508 C SER A 38 0.775 -1.729 5.327 1.00 0.00 C ATOM 509 O SER A 38 -0.406 -1.865 5.007 1.00 0.00 O ATOM 510 CB SER A 38 0.939 -0.626 7.566 1.00 0.00 C ATOM 511 OG SER A 38 -0.459 -0.621 7.803 1.00 0.00 O ATOM 0 H SER A 38 -0.400 0.638 5.417 1.00 0.00 H new ATOM 0 HA SER A 38 2.322 -0.387 5.939 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.372 -1.553 7.943 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.407 0.191 8.115 1.00 0.00 H new ATOM 0 HG SER A 38 -0.923 -0.272 7.014 1.00 0.00 H new ATOM 517 N TRP A 39 1.707 -2.634 5.052 1.00 0.00 N ATOM 518 CA TRP A 39 1.389 -3.867 4.342 1.00 0.00 C ATOM 519 C TRP A 39 1.932 -5.081 5.090 1.00 0.00 C ATOM 520 O TRP A 39 2.877 -4.970 5.870 1.00 0.00 O ATOM 521 CB TRP A 39 1.964 -3.827 2.925 1.00 0.00 C ATOM 522 CG TRP A 39 3.387 -3.359 2.874 1.00 0.00 C ATOM 523 CD1 TRP A 39 4.503 -4.139 2.772 1.00 0.00 C ATOM 524 CD2 TRP A 39 3.846 -2.004 2.925 1.00 0.00 C ATOM 525 NE1 TRP A 39 5.628 -3.350 2.756 1.00 0.00 N ATOM 526 CE2 TRP A 39 5.252 -2.037 2.848 1.00 0.00 C ATOM 527 CE3 TRP A 39 3.205 -0.766 3.026 1.00 0.00 C ATOM 528 CZ2 TRP A 39 6.025 -0.879 2.871 1.00 0.00 C ATOM 529 CZ3 TRP A 39 3.975 0.382 3.049 1.00 0.00 C ATOM 530 CH2 TRP A 39 5.372 0.319 2.970 1.00 0.00 C ATOM 0 H TRP A 39 2.689 -2.537 5.310 1.00 0.00 H new ATOM 0 HA TRP A 39 0.304 -3.954 4.284 1.00 0.00 H new ATOM 0 HB2 TRP A 39 1.901 -4.823 2.487 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.350 -3.169 2.310 1.00 0.00 H new ATOM 0 HD1 TRP A 39 4.502 -5.217 2.713 1.00 0.00 H new ATOM 0 HE1 TRP A 39 6.588 -3.688 2.687 1.00 0.00 H new ATOM 0 HE3 TRP A 39 2.128 -0.707 3.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 7.102 -0.925 2.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 3.491 1.344 3.129 1.00 0.00 H new ATOM 0 HH2 TRP A 39 5.945 1.234 2.988 1.00 0.00 H new ATOM 541 N VAL A 40 1.327 -6.239 4.846 1.00 0.00 N ATOM 542 CA VAL A 40 1.751 -7.474 5.495 1.00 0.00 C ATOM 543 C VAL A 40 2.995 -8.048 4.826 1.00 0.00 C ATOM 544 O VAL A 40 3.025 -8.289 3.619 1.00 0.00 O ATOM 545 CB VAL A 40 0.633 -8.533 5.471 1.00 0.00 C ATOM 546 CG1 VAL A 40 1.055 -9.773 6.244 1.00 0.00 C ATOM 547 CG2 VAL A 40 -0.658 -7.957 6.034 1.00 0.00 C ATOM 0 H VAL A 40 0.542 -6.348 4.204 1.00 0.00 H new ATOM 0 HA VAL A 40 1.982 -7.224 6.530 1.00 0.00 H new ATOM 0 HB VAL A 40 0.454 -8.824 4.436 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.252 -10.510 6.216 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.952 -10.196 5.792 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.264 -9.503 7.279 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.437 -8.719 6.010 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.495 -7.637 7.063 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.967 -7.102 5.433 1.00 0.00 H new ATOM 656 N ASN A 48 8.604 -16.919 -1.226 1.00 0.00 N ATOM 657 CA ASN A 48 8.611 -17.087 -2.675 1.00 0.00 C ATOM 658 C ASN A 48 9.713 -16.247 -3.314 1.00 0.00 C ATOM 659 O ASN A 48 10.357 -16.673 -4.271 1.00 0.00 O ATOM 660 CB ASN A 48 7.253 -16.698 -3.262 1.00 0.00 C ATOM 661 CG ASN A 48 6.600 -15.558 -2.503 1.00 0.00 C ATOM 662 OD1 ASN A 48 7.267 -14.818 -1.780 1.00 0.00 O ATOM 663 ND2 ASN A 48 5.291 -15.413 -2.666 1.00 0.00 N ATOM 0 HA ASN A 48 8.805 -18.137 -2.893 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.380 -16.410 -4.306 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.593 -17.565 -3.249 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.797 -14.664 -2.182 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.779 -16.051 -3.276 1.00 0.00 H new ATOM 670 N GLY A 49 9.924 -15.049 -2.776 1.00 0.00 N ATOM 671 CA GLY A 49 10.948 -14.168 -3.306 1.00 0.00 C ATOM 672 C GLY A 49 11.655 -13.382 -2.220 1.00 0.00 C ATOM 673 O GLY A 49 11.017 -12.861 -1.304 1.00 0.00 O ATOM 0 H GLY A 49 9.404 -14.673 -1.983 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.680 -14.757 -3.859 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.495 -13.475 -4.016 1.00 0.00 H new ATOM 677 N VAL A 50 12.978 -13.297 -2.319 1.00 0.00 N ATOM 678 CA VAL A 50 13.773 -12.569 -1.337 1.00 0.00 C ATOM 679 C VAL A 50 13.605 -11.063 -1.501 1.00 0.00 C ATOM 680 O VAL A 50 14.144 -10.466 -2.433 1.00 0.00 O ATOM 681 CB VAL A 50 15.268 -12.923 -1.451 1.00 0.00 C ATOM 682 CG1 VAL A 50 16.087 -12.111 -0.460 1.00 0.00 C ATOM 683 CG2 VAL A 50 15.480 -14.414 -1.235 1.00 0.00 C ATOM 0 H VAL A 50 13.522 -13.723 -3.069 1.00 0.00 H new ATOM 0 HA VAL A 50 13.411 -12.867 -0.353 1.00 0.00 H new ATOM 0 HB VAL A 50 15.607 -12.672 -2.456 1.00 0.00 H new ATOM 0 HG11 VAL A 50 17.140 -12.375 -0.556 1.00 0.00 H new ATOM 0 HG12 VAL A 50 15.959 -11.048 -0.667 1.00 0.00 H new ATOM 0 HG13 VAL A 50 15.750 -12.327 0.554 1.00 0.00 H new ATOM 0 HG21 VAL A 50 16.542 -14.646 -1.319 1.00 0.00 H new ATOM 0 HG22 VAL A 50 15.125 -14.692 -0.243 1.00 0.00 H new ATOM 0 HG23 VAL A 50 14.925 -14.973 -1.988 1.00 0.00 H new ATOM 693 N ILE A 51 12.855 -10.454 -0.588 1.00 0.00 N ATOM 694 CA ILE A 51 12.618 -9.017 -0.631 1.00 0.00 C ATOM 695 C ILE A 51 13.907 -8.239 -0.389 1.00 0.00 C ATOM 696 O ILE A 51 14.586 -8.438 0.620 1.00 0.00 O ATOM 697 CB ILE A 51 11.569 -8.588 0.413 1.00 0.00 C ATOM 698 CG1 ILE A 51 10.374 -9.543 0.389 1.00 0.00 C ATOM 699 CG2 ILE A 51 11.117 -7.159 0.153 1.00 0.00 C ATOM 700 CD1 ILE A 51 9.851 -9.822 -1.003 1.00 0.00 C ATOM 0 H ILE A 51 12.402 -10.934 0.190 1.00 0.00 H new ATOM 0 HA ILE A 51 12.241 -8.789 -1.628 1.00 0.00 H new ATOM 0 HB ILE A 51 12.024 -8.630 1.403 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.663 -10.485 0.855 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.570 -9.121 0.993 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.376 -6.870 0.899 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.975 -6.489 0.215 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.676 -7.092 -0.842 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.005 -10.506 -0.943 1.00 0.00 H new ATOM 0 HD12 ILE A 51 9.531 -8.888 -1.465 1.00 0.00 H new ATOM 0 HD13 ILE A 51 10.640 -10.273 -1.605 1.00 0.00 H new ATOM 712 N THR A 52 14.239 -7.350 -1.320 1.00 0.00 N ATOM 713 CA THR A 52 15.447 -6.541 -1.208 1.00 0.00 C ATOM 714 C THR A 52 15.107 -5.084 -0.918 1.00 0.00 C ATOM 715 O THR A 52 15.944 -4.329 -0.424 1.00 0.00 O ATOM 716 CB THR A 52 16.293 -6.614 -2.493 1.00 0.00 C ATOM 717 OG1 THR A 52 17.611 -6.116 -2.240 1.00 0.00 O ATOM 718 CG2 THR A 52 15.647 -5.811 -3.612 1.00 0.00 C ATOM 0 H THR A 52 13.688 -7.172 -2.160 1.00 0.00 H new ATOM 0 HA THR A 52 16.025 -6.948 -0.378 1.00 0.00 H new ATOM 0 HB THR A 52 16.353 -7.657 -2.804 1.00 0.00 H new ATOM 0 HG1 THR A 52 18.143 -6.167 -3.061 1.00 0.00 H new ATOM 0 HG21 THR A 52 16.262 -5.877 -4.509 1.00 0.00 H new ATOM 0 HG22 THR A 52 14.655 -6.212 -3.822 1.00 0.00 H new ATOM 0 HG23 THR A 52 15.560 -4.768 -3.308 1.00 0.00 H new ATOM 726 N GLN A 53 13.875 -4.695 -1.229 1.00 0.00 N ATOM 727 CA GLN A 53 13.425 -3.326 -1.002 1.00 0.00 C ATOM 728 C GLN A 53 11.940 -3.182 -1.315 1.00 0.00 C ATOM 729 O GLN A 53 11.361 -4.008 -2.021 1.00 0.00 O ATOM 730 CB GLN A 53 14.236 -2.352 -1.858 1.00 0.00 C ATOM 731 CG GLN A 53 14.172 -2.652 -3.347 1.00 0.00 C ATOM 732 CD GLN A 53 15.228 -1.907 -4.139 1.00 0.00 C ATOM 733 OE1 GLN A 53 16.352 -2.383 -4.299 1.00 0.00 O ATOM 734 NE2 GLN A 53 14.872 -0.729 -4.639 1.00 0.00 N ATOM 0 H GLN A 53 13.170 -5.308 -1.639 1.00 0.00 H new ATOM 0 HA GLN A 53 13.580 -3.089 0.051 1.00 0.00 H new ATOM 0 HB2 GLN A 53 13.873 -1.339 -1.684 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.277 -2.377 -1.535 1.00 0.00 H new ATOM 0 HG2 GLN A 53 14.295 -3.724 -3.503 1.00 0.00 H new ATOM 0 HG3 GLN A 53 13.185 -2.386 -3.725 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.929 -0.372 -4.482 1.00 0.00 H new ATOM 0 HE22 GLN A 53 15.541 -0.181 -5.180 1.00 0.00 H new ATOM 743 N TYR A 54 11.328 -2.129 -0.785 1.00 0.00 N ATOM 744 CA TYR A 54 9.909 -1.878 -1.006 1.00 0.00 C ATOM 745 C TYR A 54 9.694 -0.533 -1.694 1.00 0.00 C ATOM 746 O TYR A 54 10.375 0.447 -1.393 1.00 0.00 O ATOM 747 CB TYR A 54 9.151 -1.910 0.323 1.00 0.00 C ATOM 748 CG TYR A 54 8.816 -3.307 0.795 1.00 0.00 C ATOM 749 CD1 TYR A 54 7.743 -4.005 0.255 1.00 0.00 C ATOM 750 CD2 TYR A 54 9.572 -3.928 1.782 1.00 0.00 C ATOM 751 CE1 TYR A 54 7.433 -5.281 0.684 1.00 0.00 C ATOM 752 CE2 TYR A 54 9.270 -5.204 2.215 1.00 0.00 C ATOM 753 CZ TYR A 54 8.200 -5.876 1.664 1.00 0.00 C ATOM 754 OH TYR A 54 7.894 -7.147 2.094 1.00 0.00 O ATOM 0 H TYR A 54 11.793 -1.435 -0.199 1.00 0.00 H new ATOM 0 HA TYR A 54 9.524 -2.664 -1.656 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.750 -1.412 1.085 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.228 -1.339 0.219 1.00 0.00 H new ATOM 0 HD1 TYR A 54 7.141 -3.542 -0.513 1.00 0.00 H new ATOM 0 HD2 TYR A 54 10.410 -3.404 2.218 1.00 0.00 H new ATOM 0 HE1 TYR A 54 6.595 -5.810 0.255 1.00 0.00 H new ATOM 0 HE2 TYR A 54 9.869 -5.673 2.981 1.00 0.00 H new ATOM 0 HH TYR A 54 8.531 -7.420 2.786 1.00 0.00 H new ATOM 764 N SER A 55 8.741 -0.496 -2.620 1.00 0.00 N ATOM 765 CA SER A 55 8.437 0.727 -3.355 1.00 0.00 C ATOM 766 C SER A 55 7.005 1.179 -3.088 1.00 0.00 C ATOM 767 O SER A 55 6.102 0.357 -2.928 1.00 0.00 O ATOM 768 CB SER A 55 8.645 0.510 -4.855 1.00 0.00 C ATOM 769 OG SER A 55 9.037 1.713 -5.494 1.00 0.00 O ATOM 0 H SER A 55 8.166 -1.298 -2.879 1.00 0.00 H new ATOM 0 HA SER A 55 9.116 1.507 -3.011 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.406 -0.254 -5.013 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.723 0.140 -5.304 1.00 0.00 H new ATOM 0 HG SER A 55 9.165 1.548 -6.451 1.00 0.00 H new ATOM 775 N VAL A 56 6.804 2.492 -3.042 1.00 0.00 N ATOM 776 CA VAL A 56 5.482 3.055 -2.796 1.00 0.00 C ATOM 777 C VAL A 56 5.111 4.075 -3.867 1.00 0.00 C ATOM 778 O VAL A 56 5.982 4.652 -4.517 1.00 0.00 O ATOM 779 CB VAL A 56 5.407 3.728 -1.413 1.00 0.00 C ATOM 780 CG1 VAL A 56 3.974 4.123 -1.088 1.00 0.00 C ATOM 781 CG2 VAL A 56 5.970 2.807 -0.342 1.00 0.00 C ATOM 0 H VAL A 56 7.540 3.186 -3.172 1.00 0.00 H new ATOM 0 HA VAL A 56 4.774 2.227 -2.827 1.00 0.00 H new ATOM 0 HB VAL A 56 6.012 4.634 -1.436 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.941 4.597 -0.107 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.609 4.822 -1.841 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.344 3.234 -1.083 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.909 3.298 0.629 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.393 1.882 -0.317 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.012 2.579 -0.569 1.00 0.00 H new ATOM 791 N ALA A 57 3.812 4.294 -4.043 1.00 0.00 N ATOM 792 CA ALA A 57 3.326 5.247 -5.033 1.00 0.00 C ATOM 793 C ALA A 57 1.999 5.860 -4.599 1.00 0.00 C ATOM 794 O ALA A 57 1.138 5.174 -4.048 1.00 0.00 O ATOM 795 CB ALA A 57 3.179 4.572 -6.389 1.00 0.00 C ATOM 0 H ALA A 57 3.078 3.825 -3.513 1.00 0.00 H new ATOM 0 HA ALA A 57 4.058 6.050 -5.117 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.815 5.296 -7.118 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.147 4.188 -6.711 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.469 3.748 -6.310 1.00 0.00 H new ATOM 801 N TYR A 58 1.841 7.155 -4.850 1.00 0.00 N ATOM 802 CA TYR A 58 0.619 7.861 -4.482 1.00 0.00 C ATOM 803 C TYR A 58 0.184 8.812 -5.593 1.00 0.00 C ATOM 804 O TYR A 58 1.012 9.471 -6.221 1.00 0.00 O ATOM 805 CB TYR A 58 0.828 8.640 -3.182 1.00 0.00 C ATOM 806 CG TYR A 58 2.020 9.570 -3.218 1.00 0.00 C ATOM 807 CD1 TYR A 58 3.298 9.104 -2.937 1.00 0.00 C ATOM 808 CD2 TYR A 58 1.867 10.915 -3.532 1.00 0.00 C ATOM 809 CE1 TYR A 58 4.390 9.950 -2.967 1.00 0.00 C ATOM 810 CE2 TYR A 58 2.954 11.768 -3.566 1.00 0.00 C ATOM 811 CZ TYR A 58 4.213 11.281 -3.283 1.00 0.00 C ATOM 812 OH TYR A 58 5.297 12.127 -3.315 1.00 0.00 O ATOM 0 H TYR A 58 2.543 7.737 -5.307 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.167 7.121 -4.333 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.069 9.221 -2.968 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.953 7.934 -2.361 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.441 8.062 -2.691 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.883 11.300 -3.753 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.377 9.571 -2.744 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.818 12.811 -3.813 1.00 0.00 H new ATOM 0 HH TYR A 58 5.372 12.529 -4.205 1.00 0.00 H new ATOM 822 N GLU A 59 -1.123 8.876 -5.830 1.00 0.00 N ATOM 823 CA GLU A 59 -1.669 9.745 -6.865 1.00 0.00 C ATOM 824 C GLU A 59 -3.052 10.257 -6.472 1.00 0.00 C ATOM 825 O GLU A 59 -3.915 9.486 -6.052 1.00 0.00 O ATOM 826 CB GLU A 59 -1.750 8.999 -8.198 1.00 0.00 C ATOM 827 CG GLU A 59 -2.139 9.885 -9.370 1.00 0.00 C ATOM 828 CD GLU A 59 -2.431 9.093 -10.629 1.00 0.00 C ATOM 829 OE1 GLU A 59 -3.234 8.139 -10.556 1.00 0.00 O ATOM 830 OE2 GLU A 59 -1.858 9.427 -11.687 1.00 0.00 O ATOM 0 H GLU A 59 -1.822 8.337 -5.319 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.001 10.600 -6.975 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.784 8.539 -8.406 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.475 8.190 -8.108 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.018 10.471 -9.102 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.334 10.592 -9.569 1.00 0.00 H new ATOM 837 N ALA A 60 -3.255 11.563 -6.611 1.00 0.00 N ATOM 838 CA ALA A 60 -4.532 12.178 -6.272 1.00 0.00 C ATOM 839 C ALA A 60 -5.572 11.917 -7.357 1.00 0.00 C ATOM 840 O ALA A 60 -5.457 12.419 -8.475 1.00 0.00 O ATOM 841 CB ALA A 60 -4.357 13.674 -6.056 1.00 0.00 C ATOM 0 H ALA A 60 -2.551 12.216 -6.956 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.889 11.728 -5.346 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.319 14.120 -5.804 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.653 13.844 -5.241 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.973 14.131 -6.968 1.00 0.00 H new ATOM 847 N VAL A 61 -6.587 11.128 -7.019 1.00 0.00 N ATOM 848 CA VAL A 61 -7.648 10.800 -7.964 1.00 0.00 C ATOM 849 C VAL A 61 -8.696 11.906 -8.019 1.00 0.00 C ATOM 850 O VAL A 61 -9.307 12.145 -9.061 1.00 0.00 O ATOM 851 CB VAL A 61 -8.337 9.473 -7.597 1.00 0.00 C ATOM 852 CG1 VAL A 61 -9.095 9.610 -6.285 1.00 0.00 C ATOM 853 CG2 VAL A 61 -9.267 9.028 -8.715 1.00 0.00 C ATOM 0 H VAL A 61 -6.697 10.704 -6.098 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.179 10.698 -8.943 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.570 8.709 -7.468 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -9.576 8.662 -6.042 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.400 9.879 -5.490 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -9.853 10.387 -6.382 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -9.745 8.088 -8.438 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -10.030 9.789 -8.878 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.693 8.887 -9.631 1.00 0.00 H new ATOM 863 N ASP A 62 -8.897 12.579 -6.892 1.00 0.00 N ATOM 864 CA ASP A 62 -9.870 13.662 -6.811 1.00 0.00 C ATOM 865 C ASP A 62 -9.184 14.988 -6.497 1.00 0.00 C ATOM 866 O ASP A 62 -9.812 15.923 -6.004 1.00 0.00 O ATOM 867 CB ASP A 62 -10.922 13.353 -5.744 1.00 0.00 C ATOM 868 CG ASP A 62 -12.257 14.008 -6.040 1.00 0.00 C ATOM 869 OD1 ASP A 62 -12.602 14.139 -7.233 1.00 0.00 O ATOM 870 OD2 ASP A 62 -12.956 14.392 -5.079 1.00 0.00 O ATOM 0 H ASP A 62 -8.399 12.394 -6.021 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.361 13.748 -7.780 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.058 12.274 -5.674 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.561 13.693 -4.773 1.00 0.00 H new ATOM 875 N GLY A 63 -7.888 15.060 -6.786 1.00 0.00 N ATOM 876 CA GLY A 63 -7.137 16.274 -6.527 1.00 0.00 C ATOM 877 C GLY A 63 -6.864 17.069 -7.789 1.00 0.00 C ATOM 878 O GLY A 63 -7.301 16.689 -8.874 1.00 0.00 O ATOM 0 H GLY A 63 -7.345 14.299 -7.195 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.689 16.896 -5.822 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.190 16.017 -6.051 1.00 0.00 H new ATOM 882 N GLU A 64 -6.142 18.175 -7.645 1.00 0.00 N ATOM 883 CA GLU A 64 -5.815 19.026 -8.784 1.00 0.00 C ATOM 884 C GLU A 64 -4.779 18.357 -9.683 1.00 0.00 C ATOM 885 O GLU A 64 -4.974 18.241 -10.893 1.00 0.00 O ATOM 886 CB GLU A 64 -5.290 20.380 -8.303 1.00 0.00 C ATOM 887 CG GLU A 64 -6.274 21.138 -7.427 1.00 0.00 C ATOM 888 CD GLU A 64 -6.095 20.837 -5.952 1.00 0.00 C ATOM 889 OE1 GLU A 64 -4.980 21.055 -5.433 1.00 0.00 O ATOM 890 OE2 GLU A 64 -7.069 20.383 -5.317 1.00 0.00 O ATOM 0 H GLU A 64 -5.773 18.503 -6.753 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.726 19.182 -9.362 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.366 20.225 -7.746 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.041 20.993 -9.170 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.152 22.208 -7.593 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.291 20.883 -7.725 1.00 0.00 H new ATOM 897 N ASP A 65 -3.677 17.920 -9.082 1.00 0.00 N ATOM 898 CA ASP A 65 -2.610 17.263 -9.827 1.00 0.00 C ATOM 899 C ASP A 65 -2.728 15.745 -9.721 1.00 0.00 C ATOM 900 O ASP A 65 -2.615 15.179 -8.634 1.00 0.00 O ATOM 901 CB ASP A 65 -1.244 17.718 -9.312 1.00 0.00 C ATOM 902 CG ASP A 65 -0.115 17.342 -10.252 1.00 0.00 C ATOM 903 OD1 ASP A 65 0.360 16.190 -10.176 1.00 0.00 O ATOM 904 OD2 ASP A 65 0.293 18.200 -11.063 1.00 0.00 O ATOM 0 H ASP A 65 -3.500 18.009 -8.081 1.00 0.00 H new ATOM 0 HA ASP A 65 -2.706 17.545 -10.876 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -1.253 18.799 -9.174 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.061 17.273 -8.334 1.00 0.00 H new ATOM 909 N ARG A 66 -2.957 15.094 -10.857 1.00 0.00 N ATOM 910 CA ARG A 66 -3.093 13.643 -10.891 1.00 0.00 C ATOM 911 C ARG A 66 -1.748 12.977 -11.165 1.00 0.00 C ATOM 912 O ARG A 66 -1.689 11.865 -11.687 1.00 0.00 O ATOM 913 CB ARG A 66 -4.106 13.229 -11.961 1.00 0.00 C ATOM 914 CG ARG A 66 -5.547 13.535 -11.586 1.00 0.00 C ATOM 915 CD ARG A 66 -5.889 14.996 -11.833 1.00 0.00 C ATOM 916 NE ARG A 66 -6.316 15.233 -13.209 1.00 0.00 N ATOM 917 CZ ARG A 66 -6.822 16.386 -13.633 1.00 0.00 C ATOM 918 NH1 ARG A 66 -6.963 17.401 -12.792 1.00 0.00 N ATOM 919 NH2 ARG A 66 -7.188 16.524 -14.901 1.00 0.00 N ATOM 0 H ARG A 66 -3.052 15.548 -11.765 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.450 13.314 -9.915 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.866 13.740 -12.894 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -4.007 12.160 -12.148 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.217 12.900 -12.165 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.709 13.295 -10.535 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.681 15.303 -11.150 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.019 15.614 -11.612 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.221 14.472 -13.881 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.683 17.298 -11.817 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.352 18.285 -13.120 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.081 15.745 -15.550 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.576 17.409 -15.226 1.00 0.00 H new ATOM 933 N GLY A 67 -0.668 13.667 -10.809 1.00 0.00 N ATOM 934 CA GLY A 67 0.662 13.128 -11.024 1.00 0.00 C ATOM 935 C GLY A 67 1.014 12.039 -10.030 1.00 0.00 C ATOM 936 O GLY A 67 1.127 12.297 -8.831 1.00 0.00 O ATOM 0 H GLY A 67 -0.691 14.590 -10.375 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.729 12.728 -12.036 1.00 0.00 H new ATOM 0 HA3 GLY A 67 1.393 13.933 -10.950 1.00 0.00 H new ATOM 940 N ARG A 68 1.186 10.819 -10.527 1.00 0.00 N ATOM 941 CA ARG A 68 1.525 9.687 -9.673 1.00 0.00 C ATOM 942 C ARG A 68 2.981 9.761 -9.223 1.00 0.00 C ATOM 943 O ARG A 68 3.896 9.784 -10.046 1.00 0.00 O ATOM 944 CB ARG A 68 1.275 8.371 -10.412 1.00 0.00 C ATOM 945 CG ARG A 68 1.419 7.140 -9.531 1.00 0.00 C ATOM 946 CD ARG A 68 2.854 6.637 -9.506 1.00 0.00 C ATOM 947 NE ARG A 68 3.116 5.680 -10.577 1.00 0.00 N ATOM 948 CZ ARG A 68 2.614 4.450 -10.604 1.00 0.00 C ATOM 949 NH1 ARG A 68 1.826 4.032 -9.623 1.00 0.00 N ATOM 950 NH2 ARG A 68 2.899 3.637 -11.613 1.00 0.00 N ATOM 0 H ARG A 68 1.096 10.589 -11.517 1.00 0.00 H new ATOM 0 HA ARG A 68 0.888 9.727 -8.790 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.271 8.388 -10.837 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.973 8.294 -11.246 1.00 0.00 H new ATOM 0 HG2 ARG A 68 1.098 7.378 -8.517 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.762 6.351 -9.897 1.00 0.00 H new ATOM 0 HD2 ARG A 68 3.536 7.482 -9.600 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.057 6.168 -8.543 1.00 0.00 H new ATOM 0 HE ARG A 68 3.718 5.972 -11.347 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.604 4.655 -8.846 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.441 3.088 -9.645 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.504 3.956 -12.370 1.00 0.00 H new ATOM 0 HH22 ARG A 68 2.513 2.693 -11.632 1.00 0.00 H new ATOM 964 N HIS A 69 3.187 9.800 -7.910 1.00 0.00 N ATOM 965 CA HIS A 69 4.532 9.872 -7.350 1.00 0.00 C ATOM 966 C HIS A 69 5.004 8.496 -6.889 1.00 0.00 C ATOM 967 O HIS A 69 4.197 7.589 -6.685 1.00 0.00 O ATOM 968 CB HIS A 69 4.567 10.854 -6.178 1.00 0.00 C ATOM 969 CG HIS A 69 4.732 12.282 -6.598 1.00 0.00 C ATOM 970 ND1 HIS A 69 5.851 13.030 -6.301 1.00 0.00 N ATOM 971 CD2 HIS A 69 3.911 13.099 -7.300 1.00 0.00 C ATOM 972 CE1 HIS A 69 5.711 14.246 -6.799 1.00 0.00 C ATOM 973 NE2 HIS A 69 4.543 14.313 -7.410 1.00 0.00 N ATOM 0 H HIS A 69 2.441 9.783 -7.215 1.00 0.00 H new ATOM 0 HA HIS A 69 5.205 10.225 -8.131 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.645 10.757 -5.605 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.386 10.583 -5.512 1.00 0.00 H new ATOM 0 HD2 HIS A 69 2.940 12.843 -7.699 1.00 0.00 H new ATOM 0 HE1 HIS A 69 6.430 15.048 -6.720 1.00 0.00 H new ATOM 0 HE2 HIS A 69 4.170 15.134 -7.887 1.00 0.00 H new ATOM 982 N VAL A 70 6.315 8.348 -6.729 1.00 0.00 N ATOM 983 CA VAL A 70 6.894 7.083 -6.293 1.00 0.00 C ATOM 984 C VAL A 70 8.002 7.309 -5.271 1.00 0.00 C ATOM 985 O VAL A 70 8.821 8.216 -5.418 1.00 0.00 O ATOM 986 CB VAL A 70 7.462 6.286 -7.483 1.00 0.00 C ATOM 987 CG1 VAL A 70 8.084 4.983 -7.004 1.00 0.00 C ATOM 988 CG2 VAL A 70 6.376 6.021 -8.514 1.00 0.00 C ATOM 0 H VAL A 70 6.996 9.089 -6.895 1.00 0.00 H new ATOM 0 HA VAL A 70 6.090 6.509 -5.832 1.00 0.00 H new ATOM 0 HB VAL A 70 8.243 6.881 -7.957 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.480 4.433 -7.858 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.892 5.201 -6.306 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.326 4.380 -6.504 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.795 5.457 -9.347 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.571 5.446 -8.055 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.982 6.969 -8.879 1.00 0.00 H new ATOM 998 N VAL A 71 8.022 6.478 -4.234 1.00 0.00 N ATOM 999 CA VAL A 71 9.031 6.585 -3.187 1.00 0.00 C ATOM 1000 C VAL A 71 10.209 5.657 -3.462 1.00 0.00 C ATOM 1001 O VAL A 71 10.026 4.485 -3.788 1.00 0.00 O ATOM 1002 CB VAL A 71 8.441 6.253 -1.803 1.00 0.00 C ATOM 1003 CG1 VAL A 71 9.515 6.342 -0.730 1.00 0.00 C ATOM 1004 CG2 VAL A 71 7.278 7.179 -1.484 1.00 0.00 C ATOM 0 H VAL A 71 7.350 5.723 -4.096 1.00 0.00 H new ATOM 0 HA VAL A 71 9.379 7.618 -3.187 1.00 0.00 H new ATOM 0 HB VAL A 71 8.065 5.230 -1.823 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.080 6.104 0.241 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.312 5.633 -0.954 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.923 7.352 -0.707 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.873 6.930 -0.503 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.625 8.212 -1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.500 7.059 -2.238 1.00 0.00 H new ATOM 1014 N ASP A 72 11.418 6.191 -3.327 1.00 0.00 N ATOM 1015 CA ASP A 72 12.628 5.410 -3.559 1.00 0.00 C ATOM 1016 C ASP A 72 13.548 5.460 -2.343 1.00 0.00 C ATOM 1017 O ASP A 72 13.563 6.442 -1.603 1.00 0.00 O ATOM 1018 CB ASP A 72 13.366 5.928 -4.794 1.00 0.00 C ATOM 1019 CG ASP A 72 13.594 7.426 -4.746 1.00 0.00 C ATOM 1020 OD1 ASP A 72 12.600 8.175 -4.637 1.00 0.00 O ATOM 1021 OD2 ASP A 72 14.766 7.850 -4.817 1.00 0.00 O ATOM 0 H ASP A 72 11.586 7.160 -3.058 1.00 0.00 H new ATOM 0 HA ASP A 72 12.335 4.374 -3.729 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.326 5.420 -4.880 1.00 0.00 H new ATOM 0 HB3 ASP A 72 12.793 5.679 -5.687 1.00 0.00 H new ATOM 1026 N GLY A 73 14.314 4.392 -2.143 1.00 0.00 N ATOM 1027 CA GLY A 73 15.225 4.333 -1.015 1.00 0.00 C ATOM 1028 C GLY A 73 14.534 3.916 0.268 1.00 0.00 C ATOM 1029 O GLY A 73 14.672 4.577 1.298 1.00 0.00 O ATOM 0 H GLY A 73 14.320 3.567 -2.742 1.00 0.00 H new ATOM 0 HA2 GLY A 73 16.028 3.630 -1.237 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.687 5.310 -0.874 1.00 0.00 H new ATOM 1033 N ILE A 74 13.788 2.819 0.206 1.00 0.00 N ATOM 1034 CA ILE A 74 13.073 2.316 1.372 1.00 0.00 C ATOM 1035 C ILE A 74 13.675 1.004 1.863 1.00 0.00 C ATOM 1036 O ILE A 74 13.898 0.080 1.081 1.00 0.00 O ATOM 1037 CB ILE A 74 11.579 2.098 1.066 1.00 0.00 C ATOM 1038 CG1 ILE A 74 10.904 3.432 0.739 1.00 0.00 C ATOM 1039 CG2 ILE A 74 10.890 1.424 2.242 1.00 0.00 C ATOM 1040 CD1 ILE A 74 9.501 3.281 0.194 1.00 0.00 C ATOM 0 H ILE A 74 13.663 2.261 -0.639 1.00 0.00 H new ATOM 0 HA ILE A 74 13.170 3.072 2.151 1.00 0.00 H new ATOM 0 HB ILE A 74 11.492 1.445 0.197 1.00 0.00 H new ATOM 0 HG12 ILE A 74 10.871 4.044 1.640 1.00 0.00 H new ATOM 0 HG13 ILE A 74 11.512 3.969 0.011 1.00 0.00 H new ATOM 0 HG21 ILE A 74 9.835 1.277 2.010 1.00 0.00 H new ATOM 0 HG22 ILE A 74 11.358 0.458 2.433 1.00 0.00 H new ATOM 0 HG23 ILE A 74 10.983 2.053 3.127 1.00 0.00 H new ATOM 0 HD11 ILE A 74 9.084 4.266 -0.015 1.00 0.00 H new ATOM 0 HD12 ILE A 74 9.529 2.696 -0.725 1.00 0.00 H new ATOM 0 HD13 ILE A 74 8.878 2.772 0.929 1.00 0.00 H new ATOM 1052 N SER A 75 13.936 0.929 3.165 1.00 0.00 N ATOM 1053 CA SER A 75 14.515 -0.269 3.761 1.00 0.00 C ATOM 1054 C SER A 75 13.534 -1.436 3.696 1.00 0.00 C ATOM 1055 O SER A 75 12.352 -1.286 4.006 1.00 0.00 O ATOM 1056 CB SER A 75 14.911 -0.001 5.214 1.00 0.00 C ATOM 1057 OG SER A 75 15.996 -0.824 5.607 1.00 0.00 O ATOM 0 H SER A 75 13.755 1.684 3.827 1.00 0.00 H new ATOM 0 HA SER A 75 15.406 -0.534 3.192 1.00 0.00 H new ATOM 0 HB2 SER A 75 15.184 1.048 5.332 1.00 0.00 H new ATOM 0 HB3 SER A 75 14.057 -0.183 5.867 1.00 0.00 H new ATOM 0 HG SER A 75 16.231 -0.632 6.539 1.00 0.00 H new ATOM 1063 N ARG A 76 14.034 -2.599 3.292 1.00 0.00 N ATOM 1064 CA ARG A 76 13.203 -3.792 3.185 1.00 0.00 C ATOM 1065 C ARG A 76 12.649 -4.193 4.549 1.00 0.00 C ATOM 1066 O ARG A 76 11.685 -4.952 4.638 1.00 0.00 O ATOM 1067 CB ARG A 76 14.009 -4.949 2.590 1.00 0.00 C ATOM 1068 CG ARG A 76 15.249 -5.303 3.394 1.00 0.00 C ATOM 1069 CD ARG A 76 16.075 -6.376 2.700 1.00 0.00 C ATOM 1070 NE ARG A 76 17.431 -6.455 3.236 1.00 0.00 N ATOM 1071 CZ ARG A 76 17.725 -6.982 4.419 1.00 0.00 C ATOM 1072 NH1 ARG A 76 16.762 -7.476 5.186 1.00 0.00 N ATOM 1073 NH2 ARG A 76 18.983 -7.018 4.837 1.00 0.00 N ATOM 0 H ARG A 76 15.010 -2.741 3.033 1.00 0.00 H new ATOM 0 HA ARG A 76 12.366 -3.563 2.525 1.00 0.00 H new ATOM 0 HB2 ARG A 76 13.369 -5.828 2.519 1.00 0.00 H new ATOM 0 HB3 ARG A 76 14.307 -4.689 1.574 1.00 0.00 H new ATOM 0 HG2 ARG A 76 15.858 -4.410 3.538 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.955 -5.652 4.384 1.00 0.00 H new ATOM 0 HD2 ARG A 76 15.583 -7.342 2.814 1.00 0.00 H new ATOM 0 HD3 ARG A 76 16.119 -6.165 1.632 1.00 0.00 H new ATOM 0 HE ARG A 76 18.195 -6.085 2.670 1.00 0.00 H new ATOM 0 HH11 ARG A 76 15.793 -7.452 4.868 1.00 0.00 H new ATOM 0 HH12 ARG A 76 16.990 -7.880 6.094 1.00 0.00 H new ATOM 0 HH21 ARG A 76 19.727 -6.641 4.250 1.00 0.00 H new ATOM 0 HH22 ARG A 76 19.207 -7.423 5.746 1.00 0.00 H new ATOM 1087 N GLU A 77 13.265 -3.676 5.607 1.00 0.00 N ATOM 1088 CA GLU A 77 12.833 -3.981 6.966 1.00 0.00 C ATOM 1089 C GLU A 77 11.735 -3.022 7.417 1.00 0.00 C ATOM 1090 O GLU A 77 11.527 -2.815 8.613 1.00 0.00 O ATOM 1091 CB GLU A 77 14.018 -3.905 7.931 1.00 0.00 C ATOM 1092 CG GLU A 77 15.129 -4.892 7.610 1.00 0.00 C ATOM 1093 CD GLU A 77 16.009 -5.190 8.808 1.00 0.00 C ATOM 1094 OE1 GLU A 77 15.480 -5.684 9.825 1.00 0.00 O ATOM 1095 OE2 GLU A 77 17.228 -4.930 8.727 1.00 0.00 O ATOM 0 H GLU A 77 14.064 -3.045 5.550 1.00 0.00 H new ATOM 0 HA GLU A 77 12.432 -4.994 6.973 1.00 0.00 H new ATOM 0 HB2 GLU A 77 14.425 -2.894 7.914 1.00 0.00 H new ATOM 0 HB3 GLU A 77 13.662 -4.088 8.945 1.00 0.00 H new ATOM 0 HG2 GLU A 77 14.690 -5.821 7.246 1.00 0.00 H new ATOM 0 HG3 GLU A 77 15.743 -4.492 6.803 1.00 0.00 H new ATOM 1102 N HIS A 78 11.035 -2.438 6.449 1.00 0.00 N ATOM 1103 CA HIS A 78 9.957 -1.500 6.745 1.00 0.00 C ATOM 1104 C HIS A 78 8.725 -1.803 5.898 1.00 0.00 C ATOM 1105 O HIS A 78 8.642 -1.397 4.739 1.00 0.00 O ATOM 1106 CB HIS A 78 10.420 -0.064 6.498 1.00 0.00 C ATOM 1107 CG HIS A 78 11.033 0.583 7.702 1.00 0.00 C ATOM 1108 ND1 HIS A 78 10.329 0.839 8.859 1.00 0.00 N ATOM 1109 CD2 HIS A 78 12.293 1.026 7.924 1.00 0.00 C ATOM 1110 CE1 HIS A 78 11.129 1.413 9.741 1.00 0.00 C ATOM 1111 NE2 HIS A 78 12.326 1.537 9.198 1.00 0.00 N ATOM 0 H HIS A 78 11.195 -2.597 5.454 1.00 0.00 H new ATOM 0 HA HIS A 78 9.690 -1.612 7.796 1.00 0.00 H new ATOM 0 HB2 HIS A 78 11.145 -0.060 5.684 1.00 0.00 H new ATOM 0 HB3 HIS A 78 9.569 0.532 6.169 1.00 0.00 H new ATOM 0 HD2 HIS A 78 13.118 0.985 7.229 1.00 0.00 H new ATOM 0 HE1 HIS A 78 10.851 1.727 10.736 1.00 0.00 H new ATOM 0 HE2 HIS A 78 13.143 1.946 9.651 1.00 0.00 H new ATOM 1120 N SER A 79 7.771 -2.519 6.484 1.00 0.00 N ATOM 1121 CA SER A 79 6.545 -2.880 5.781 1.00 0.00 C ATOM 1122 C SER A 79 5.542 -1.731 5.814 1.00 0.00 C ATOM 1123 O SER A 79 4.355 -1.922 5.548 1.00 0.00 O ATOM 1124 CB SER A 79 5.925 -4.132 6.404 1.00 0.00 C ATOM 1125 OG SER A 79 6.415 -5.307 5.782 1.00 0.00 O ATOM 0 H SER A 79 7.823 -2.861 7.444 1.00 0.00 H new ATOM 0 HA SER A 79 6.799 -3.088 4.742 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.149 -4.161 7.470 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.840 -4.091 6.307 1.00 0.00 H new ATOM 0 HG SER A 79 6.005 -6.093 6.199 1.00 0.00 H new ATOM 1131 N SER A 80 6.028 -0.538 6.142 1.00 0.00 N ATOM 1132 CA SER A 80 5.174 0.641 6.213 1.00 0.00 C ATOM 1133 C SER A 80 5.951 1.898 5.835 1.00 0.00 C ATOM 1134 O SER A 80 7.180 1.927 5.910 1.00 0.00 O ATOM 1135 CB SER A 80 4.592 0.792 7.620 1.00 0.00 C ATOM 1136 OG SER A 80 5.615 0.754 8.601 1.00 0.00 O ATOM 0 H SER A 80 7.008 -0.363 6.363 1.00 0.00 H new ATOM 0 HA SER A 80 4.358 0.511 5.502 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.048 1.734 7.693 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.874 -0.006 7.808 1.00 0.00 H new ATOM 0 HG SER A 80 5.218 0.854 9.491 1.00 0.00 H new ATOM 1142 N TRP A 81 5.227 2.935 5.429 1.00 0.00 N ATOM 1143 CA TRP A 81 5.847 4.195 5.039 1.00 0.00 C ATOM 1144 C TRP A 81 4.921 5.371 5.329 1.00 0.00 C ATOM 1145 O TRP A 81 3.701 5.215 5.377 1.00 0.00 O ATOM 1146 CB TRP A 81 6.210 4.170 3.553 1.00 0.00 C ATOM 1147 CG TRP A 81 7.005 5.364 3.116 1.00 0.00 C ATOM 1148 CD1 TRP A 81 6.554 6.425 2.384 1.00 0.00 C ATOM 1149 CD2 TRP A 81 8.389 5.616 3.382 1.00 0.00 C ATOM 1150 NE1 TRP A 81 7.575 7.321 2.178 1.00 0.00 N ATOM 1151 CE2 TRP A 81 8.711 6.849 2.781 1.00 0.00 C ATOM 1152 CE3 TRP A 81 9.387 4.921 4.070 1.00 0.00 C ATOM 1153 CZ2 TRP A 81 9.988 7.398 2.849 1.00 0.00 C ATOM 1154 CZ3 TRP A 81 10.655 5.468 4.136 1.00 0.00 C ATOM 1155 CH2 TRP A 81 10.946 6.697 3.529 1.00 0.00 C ATOM 0 H TRP A 81 4.209 2.927 5.361 1.00 0.00 H new ATOM 0 HA TRP A 81 6.757 4.320 5.626 1.00 0.00 H new ATOM 0 HB2 TRP A 81 6.780 3.265 3.341 1.00 0.00 H new ATOM 0 HB3 TRP A 81 5.295 4.116 2.963 1.00 0.00 H new ATOM 0 HD1 TRP A 81 5.544 6.542 2.021 1.00 0.00 H new ATOM 0 HE1 TRP A 81 7.499 8.196 1.660 1.00 0.00 H new ATOM 0 HE3 TRP A 81 9.172 3.974 4.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 10.215 8.345 2.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 11.434 4.939 4.664 1.00 0.00 H new ATOM 0 HH2 TRP A 81 11.946 7.099 3.599 1.00 0.00 H new ATOM 1166 N ASP A 82 5.508 6.547 5.522 1.00 0.00 N ATOM 1167 CA ASP A 82 4.734 7.750 5.807 1.00 0.00 C ATOM 1168 C ASP A 82 4.896 8.777 4.690 1.00 0.00 C ATOM 1169 O ASP A 82 5.919 9.458 4.602 1.00 0.00 O ATOM 1170 CB ASP A 82 5.167 8.357 7.142 1.00 0.00 C ATOM 1171 CG ASP A 82 5.048 7.375 8.290 1.00 0.00 C ATOM 1172 OD1 ASP A 82 5.048 6.154 8.030 1.00 0.00 O ATOM 1173 OD2 ASP A 82 4.955 7.828 9.450 1.00 0.00 O ATOM 0 H ASP A 82 6.517 6.693 5.486 1.00 0.00 H new ATOM 0 HA ASP A 82 3.682 7.470 5.869 1.00 0.00 H new ATOM 0 HB2 ASP A 82 6.199 8.698 7.065 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.556 9.235 7.354 1.00 0.00 H new ATOM 1178 N LEU A 83 3.882 8.883 3.839 1.00 0.00 N ATOM 1179 CA LEU A 83 3.912 9.827 2.727 1.00 0.00 C ATOM 1180 C LEU A 83 3.767 11.261 3.225 1.00 0.00 C ATOM 1181 O LEU A 83 3.095 11.517 4.225 1.00 0.00 O ATOM 1182 CB LEU A 83 2.797 9.506 1.730 1.00 0.00 C ATOM 1183 CG LEU A 83 2.790 8.085 1.165 1.00 0.00 C ATOM 1184 CD1 LEU A 83 1.408 7.725 0.643 1.00 0.00 C ATOM 1185 CD2 LEU A 83 3.832 7.943 0.065 1.00 0.00 C ATOM 0 H LEU A 83 3.029 8.327 3.897 1.00 0.00 H new ATOM 0 HA LEU A 83 4.876 9.732 2.228 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.839 9.687 2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.869 10.206 0.898 1.00 0.00 H new ATOM 0 HG LEU A 83 3.043 7.394 1.969 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.422 6.710 0.245 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.685 7.786 1.456 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.125 8.421 -0.147 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.813 6.925 -0.325 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.610 8.644 -0.739 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.821 8.157 0.471 1.00 0.00 H new ATOM 1197 N VAL A 84 4.399 12.194 2.520 1.00 0.00 N ATOM 1198 CA VAL A 84 4.338 13.603 2.889 1.00 0.00 C ATOM 1199 C VAL A 84 4.255 14.491 1.653 1.00 0.00 C ATOM 1200 O VAL A 84 4.947 14.260 0.662 1.00 0.00 O ATOM 1201 CB VAL A 84 5.563 14.018 3.725 1.00 0.00 C ATOM 1202 CG1 VAL A 84 5.651 13.184 4.994 1.00 0.00 C ATOM 1203 CG2 VAL A 84 6.836 13.891 2.903 1.00 0.00 C ATOM 0 H VAL A 84 4.959 11.999 1.690 1.00 0.00 H new ATOM 0 HA VAL A 84 3.437 13.735 3.489 1.00 0.00 H new ATOM 0 HB VAL A 84 5.448 15.063 4.014 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.523 13.491 5.572 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.750 13.332 5.590 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.743 12.130 4.731 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.692 14.188 3.509 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.960 12.857 2.582 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.770 14.537 2.027 1.00 0.00 H new ATOM 1213 N GLY A 85 3.404 15.511 1.718 1.00 0.00 N ATOM 1214 CA GLY A 85 3.246 16.419 0.598 1.00 0.00 C ATOM 1215 C GLY A 85 2.005 16.123 -0.219 1.00 0.00 C ATOM 1216 O GLY A 85 2.065 16.040 -1.447 1.00 0.00 O ATOM 0 H GLY A 85 2.821 15.724 2.527 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.197 17.443 0.969 1.00 0.00 H new ATOM 0 HA3 GLY A 85 4.124 16.354 -0.045 1.00 0.00 H new ATOM 1220 N LEU A 86 0.875 15.960 0.461 1.00 0.00 N ATOM 1221 CA LEU A 86 -0.387 15.669 -0.209 1.00 0.00 C ATOM 1222 C LEU A 86 -1.422 16.750 0.085 1.00 0.00 C ATOM 1223 O LEU A 86 -1.224 17.589 0.963 1.00 0.00 O ATOM 1224 CB LEU A 86 -0.919 14.305 0.233 1.00 0.00 C ATOM 1225 CG LEU A 86 0.108 13.173 0.299 1.00 0.00 C ATOM 1226 CD1 LEU A 86 -0.476 11.964 1.013 1.00 0.00 C ATOM 1227 CD2 LEU A 86 0.575 12.795 -1.099 1.00 0.00 C ATOM 0 H LEU A 86 0.807 16.025 1.477 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.203 15.650 -1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.372 14.416 1.218 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.714 14.008 -0.451 1.00 0.00 H new ATOM 0 HG LEU A 86 0.970 13.523 0.866 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.269 11.169 1.050 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.760 12.243 2.028 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.355 11.612 0.473 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.305 11.988 -1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.279 12.464 -1.691 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.033 13.661 -1.576 1.00 0.00 H new ATOM 1239 N GLU A 87 -2.526 16.722 -0.655 1.00 0.00 N ATOM 1240 CA GLU A 87 -3.592 17.700 -0.472 1.00 0.00 C ATOM 1241 C GLU A 87 -4.364 17.428 0.816 1.00 0.00 C ATOM 1242 O GLU A 87 -4.310 16.328 1.366 1.00 0.00 O ATOM 1243 CB GLU A 87 -4.548 17.675 -1.667 1.00 0.00 C ATOM 1244 CG GLU A 87 -5.213 19.014 -1.942 1.00 0.00 C ATOM 1245 CD GLU A 87 -4.210 20.134 -2.140 1.00 0.00 C ATOM 1246 OE1 GLU A 87 -3.050 19.835 -2.493 1.00 0.00 O ATOM 1247 OE2 GLU A 87 -4.584 21.308 -1.941 1.00 0.00 O ATOM 0 H GLU A 87 -2.705 16.034 -1.386 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.136 18.688 -0.401 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.998 17.363 -2.555 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.319 16.925 -1.489 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.838 18.929 -2.831 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.873 19.265 -1.112 1.00 0.00 H new ATOM 1254 N LYS A 88 -5.083 18.439 1.293 1.00 0.00 N ATOM 1255 CA LYS A 88 -5.867 18.312 2.515 1.00 0.00 C ATOM 1256 C LYS A 88 -7.311 17.936 2.199 1.00 0.00 C ATOM 1257 O LYS A 88 -7.918 18.487 1.280 1.00 0.00 O ATOM 1258 CB LYS A 88 -5.831 19.620 3.308 1.00 0.00 C ATOM 1259 CG LYS A 88 -4.436 20.203 3.457 1.00 0.00 C ATOM 1260 CD LYS A 88 -4.481 21.705 3.680 1.00 0.00 C ATOM 1261 CE LYS A 88 -3.167 22.366 3.290 1.00 0.00 C ATOM 1262 NZ LYS A 88 -3.135 22.724 1.845 1.00 0.00 N ATOM 0 H LYS A 88 -5.139 19.356 0.851 1.00 0.00 H new ATOM 0 HA LYS A 88 -5.427 17.517 3.117 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -6.471 20.352 2.815 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -6.251 19.446 4.299 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -3.928 19.725 4.295 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.852 19.984 2.563 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.294 22.136 3.096 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.697 21.912 4.728 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -3.020 23.264 3.890 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -2.340 21.692 3.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -2.224 23.172 1.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -3.250 21.864 1.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -3.908 23.387 1.634 1.00 0.00 H new ATOM 1276 N TRP A 89 -7.855 16.998 2.965 1.00 0.00 N ATOM 1277 CA TRP A 89 -9.229 16.550 2.766 1.00 0.00 C ATOM 1278 C TRP A 89 -9.436 16.042 1.344 1.00 0.00 C ATOM 1279 O TRP A 89 -10.431 16.367 0.695 1.00 0.00 O ATOM 1280 CB TRP A 89 -10.206 17.690 3.060 1.00 0.00 C ATOM 1281 CG TRP A 89 -11.513 17.222 3.624 1.00 0.00 C ATOM 1282 CD1 TRP A 89 -11.727 16.101 4.375 1.00 0.00 C ATOM 1283 CD2 TRP A 89 -12.786 17.861 3.481 1.00 0.00 C ATOM 1284 NE1 TRP A 89 -13.057 16.005 4.707 1.00 0.00 N ATOM 1285 CE2 TRP A 89 -13.728 17.072 4.171 1.00 0.00 C ATOM 1286 CE3 TRP A 89 -13.222 19.023 2.838 1.00 0.00 C ATOM 1287 CZ2 TRP A 89 -15.077 17.410 4.234 1.00 0.00 C ATOM 1288 CZ3 TRP A 89 -14.562 19.356 2.902 1.00 0.00 C ATOM 1289 CH2 TRP A 89 -15.477 18.553 3.596 1.00 0.00 C ATOM 0 H TRP A 89 -7.366 16.533 3.730 1.00 0.00 H new ATOM 0 HA TRP A 89 -9.420 15.729 3.457 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -9.743 18.384 3.762 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -10.393 18.245 2.141 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -10.963 15.394 4.665 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -13.477 15.260 5.263 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -12.525 19.649 2.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -15.784 16.792 4.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -14.910 20.251 2.408 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -16.517 18.841 3.628 1.00 0.00 H new ATOM 1300 N THR A 90 -8.490 15.241 0.863 1.00 0.00 N ATOM 1301 CA THR A 90 -8.568 14.688 -0.483 1.00 0.00 C ATOM 1302 C THR A 90 -8.149 13.222 -0.501 1.00 0.00 C ATOM 1303 O THR A 90 -7.233 12.821 0.216 1.00 0.00 O ATOM 1304 CB THR A 90 -7.681 15.475 -1.467 1.00 0.00 C ATOM 1305 OG1 THR A 90 -8.184 16.807 -1.621 1.00 0.00 O ATOM 1306 CG2 THR A 90 -7.632 14.787 -2.822 1.00 0.00 C ATOM 0 H THR A 90 -7.661 14.961 1.386 1.00 0.00 H new ATOM 0 HA THR A 90 -9.608 14.770 -0.798 1.00 0.00 H new ATOM 0 HB THR A 90 -6.670 15.512 -1.060 1.00 0.00 H new ATOM 0 HG1 THR A 90 -8.060 17.302 -0.785 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.000 15.361 -3.499 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.222 13.784 -2.706 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.639 14.722 -3.234 1.00 0.00 H new ATOM 1314 N GLU A 91 -8.825 12.428 -1.325 1.00 0.00 N ATOM 1315 CA GLU A 91 -8.522 11.006 -1.435 1.00 0.00 C ATOM 1316 C GLU A 91 -7.244 10.783 -2.239 1.00 0.00 C ATOM 1317 O GLU A 91 -6.952 11.523 -3.179 1.00 0.00 O ATOM 1318 CB GLU A 91 -9.687 10.262 -2.090 1.00 0.00 C ATOM 1319 CG GLU A 91 -9.754 8.790 -1.721 1.00 0.00 C ATOM 1320 CD GLU A 91 -11.025 8.123 -2.210 1.00 0.00 C ATOM 1321 OE1 GLU A 91 -11.161 7.933 -3.437 1.00 0.00 O ATOM 1322 OE2 GLU A 91 -11.884 7.792 -1.367 1.00 0.00 O ATOM 0 H GLU A 91 -9.586 12.745 -1.926 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.371 10.614 -0.429 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.622 10.743 -1.802 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.602 10.353 -3.173 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.892 8.274 -2.143 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.688 8.687 -0.638 1.00 0.00 H new ATOM 1329 N TYR A 92 -6.487 9.759 -1.863 1.00 0.00 N ATOM 1330 CA TYR A 92 -5.240 9.439 -2.547 1.00 0.00 C ATOM 1331 C TYR A 92 -5.044 7.929 -2.646 1.00 0.00 C ATOM 1332 O TYR A 92 -4.989 7.231 -1.633 1.00 0.00 O ATOM 1333 CB TYR A 92 -4.055 10.071 -1.814 1.00 0.00 C ATOM 1334 CG TYR A 92 -3.797 11.508 -2.207 1.00 0.00 C ATOM 1335 CD1 TYR A 92 -4.563 12.541 -1.682 1.00 0.00 C ATOM 1336 CD2 TYR A 92 -2.787 11.832 -3.105 1.00 0.00 C ATOM 1337 CE1 TYR A 92 -4.331 13.855 -2.039 1.00 0.00 C ATOM 1338 CE2 TYR A 92 -2.547 13.144 -3.466 1.00 0.00 C ATOM 1339 CZ TYR A 92 -3.322 14.152 -2.931 1.00 0.00 C ATOM 1340 OH TYR A 92 -3.087 15.459 -3.290 1.00 0.00 O ATOM 0 H TYR A 92 -6.715 9.136 -1.088 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.294 9.847 -3.556 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -4.236 10.024 -0.740 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -3.160 9.482 -2.013 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -5.354 12.313 -0.983 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -2.180 11.045 -3.528 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -4.937 14.646 -1.622 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -1.757 13.379 -4.163 1.00 0.00 H new ATOM 0 HH TYR A 92 -2.342 15.495 -3.925 1.00 0.00 H new ATOM 1350 N ARG A 93 -4.938 7.432 -3.874 1.00 0.00 N ATOM 1351 CA ARG A 93 -4.748 6.005 -4.106 1.00 0.00 C ATOM 1352 C ARG A 93 -3.275 5.626 -3.988 1.00 0.00 C ATOM 1353 O ARG A 93 -2.462 5.975 -4.843 1.00 0.00 O ATOM 1354 CB ARG A 93 -5.276 5.618 -5.489 1.00 0.00 C ATOM 1355 CG ARG A 93 -6.781 5.774 -5.632 1.00 0.00 C ATOM 1356 CD ARG A 93 -7.263 5.302 -6.996 1.00 0.00 C ATOM 1357 NE ARG A 93 -7.523 3.866 -7.018 1.00 0.00 N ATOM 1358 CZ ARG A 93 -7.813 3.188 -8.123 1.00 0.00 C ATOM 1359 NH1 ARG A 93 -7.878 3.814 -9.290 1.00 0.00 N ATOM 1360 NH2 ARG A 93 -8.037 1.882 -8.062 1.00 0.00 N ATOM 0 H ARG A 93 -4.980 7.996 -4.723 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.307 5.461 -3.345 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -4.782 6.232 -6.242 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -5.005 4.582 -5.695 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -7.283 5.204 -4.850 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.055 6.819 -5.490 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -8.173 5.839 -7.265 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -6.514 5.546 -7.749 1.00 0.00 H new ATOM 0 HE ARG A 93 -7.480 3.355 -6.136 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -7.705 4.818 -9.341 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -8.101 3.292 -10.137 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -7.987 1.397 -7.166 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -8.260 1.363 -8.911 1.00 0.00 H new ATOM 1374 N VAL A 94 -2.938 4.908 -2.920 1.00 0.00 N ATOM 1375 CA VAL A 94 -1.564 4.481 -2.689 1.00 0.00 C ATOM 1376 C VAL A 94 -1.348 3.046 -3.158 1.00 0.00 C ATOM 1377 O VAL A 94 -2.212 2.188 -2.979 1.00 0.00 O ATOM 1378 CB VAL A 94 -1.187 4.584 -1.200 1.00 0.00 C ATOM 1379 CG1 VAL A 94 0.193 3.992 -0.955 1.00 0.00 C ATOM 1380 CG2 VAL A 94 -1.244 6.032 -0.735 1.00 0.00 C ATOM 0 H VAL A 94 -3.598 4.610 -2.202 1.00 0.00 H new ATOM 0 HA VAL A 94 -0.924 5.149 -3.265 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.910 4.010 -0.620 1.00 0.00 H new ATOM 0 HG11 VAL A 94 0.442 4.074 0.103 1.00 0.00 H new ATOM 0 HG12 VAL A 94 0.196 2.942 -1.248 1.00 0.00 H new ATOM 0 HG13 VAL A 94 0.932 4.535 -1.544 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -0.975 6.086 0.320 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.544 6.630 -1.319 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.254 6.419 -0.872 1.00 0.00 H new ATOM 1390 N TRP A 95 -0.191 2.794 -3.759 1.00 0.00 N ATOM 1391 CA TRP A 95 0.139 1.462 -4.253 1.00 0.00 C ATOM 1392 C TRP A 95 1.529 1.039 -3.793 1.00 0.00 C ATOM 1393 O TRP A 95 2.535 1.607 -4.218 1.00 0.00 O ATOM 1394 CB TRP A 95 0.062 1.429 -5.781 1.00 0.00 C ATOM 1395 CG TRP A 95 -1.307 1.725 -6.313 1.00 0.00 C ATOM 1396 CD1 TRP A 95 -2.329 0.836 -6.485 1.00 0.00 C ATOM 1397 CD2 TRP A 95 -1.802 2.997 -6.744 1.00 0.00 C ATOM 1398 NE1 TRP A 95 -3.430 1.479 -6.998 1.00 0.00 N ATOM 1399 CE2 TRP A 95 -3.133 2.806 -7.165 1.00 0.00 C ATOM 1400 CE3 TRP A 95 -1.252 4.280 -6.814 1.00 0.00 C ATOM 1401 CZ2 TRP A 95 -3.918 3.849 -7.649 1.00 0.00 C ATOM 1402 CZ3 TRP A 95 -2.033 5.314 -7.295 1.00 0.00 C ATOM 1403 CH2 TRP A 95 -3.354 5.094 -7.706 1.00 0.00 C ATOM 0 H TRP A 95 0.534 3.494 -3.916 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.587 0.760 -3.844 1.00 0.00 H new ATOM 0 HB2 TRP A 95 0.767 2.153 -6.189 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.376 0.446 -6.132 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -2.279 -0.217 -6.252 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -4.324 1.039 -7.219 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.235 4.460 -6.498 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -4.936 3.681 -7.968 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -1.617 6.309 -7.355 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -3.939 5.924 -8.075 1.00 0.00 H new ATOM 1414 N VAL A 96 1.580 0.037 -2.920 1.00 0.00 N ATOM 1415 CA VAL A 96 2.848 -0.463 -2.403 1.00 0.00 C ATOM 1416 C VAL A 96 3.134 -1.870 -2.916 1.00 0.00 C ATOM 1417 O VAL A 96 2.254 -2.731 -2.921 1.00 0.00 O ATOM 1418 CB VAL A 96 2.859 -0.478 -0.863 1.00 0.00 C ATOM 1419 CG1 VAL A 96 1.564 -1.069 -0.325 1.00 0.00 C ATOM 1420 CG2 VAL A 96 4.062 -1.252 -0.347 1.00 0.00 C ATOM 0 H VAL A 96 0.757 -0.444 -2.556 1.00 0.00 H new ATOM 0 HA VAL A 96 3.624 0.215 -2.758 1.00 0.00 H new ATOM 0 HB VAL A 96 2.937 0.549 -0.508 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.590 -1.071 0.765 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.721 -0.469 -0.666 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.452 -2.091 -0.687 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.054 -1.253 0.743 1.00 0.00 H new ATOM 0 HG22 VAL A 96 4.017 -2.279 -0.711 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.978 -0.780 -0.703 1.00 0.00 H new ATOM 1430 N ARG A 97 4.371 -2.096 -3.347 1.00 0.00 N ATOM 1431 CA ARG A 97 4.774 -3.399 -3.863 1.00 0.00 C ATOM 1432 C ARG A 97 6.167 -3.774 -3.365 1.00 0.00 C ATOM 1433 O ARG A 97 6.966 -2.906 -3.017 1.00 0.00 O ATOM 1434 CB ARG A 97 4.751 -3.395 -5.392 1.00 0.00 C ATOM 1435 CG ARG A 97 5.499 -2.225 -6.009 1.00 0.00 C ATOM 1436 CD ARG A 97 4.963 -1.887 -7.392 1.00 0.00 C ATOM 1437 NE ARG A 97 5.982 -1.273 -8.239 1.00 0.00 N ATOM 1438 CZ ARG A 97 5.704 -0.577 -9.336 1.00 0.00 C ATOM 1439 NH1 ARG A 97 4.445 -0.408 -9.716 1.00 0.00 N ATOM 1440 NH2 ARG A 97 6.686 -0.049 -10.055 1.00 0.00 N ATOM 0 H ARG A 97 5.111 -1.394 -3.349 1.00 0.00 H new ATOM 0 HA ARG A 97 4.065 -4.142 -3.498 1.00 0.00 H new ATOM 0 HB2 ARG A 97 5.186 -4.326 -5.756 1.00 0.00 H new ATOM 0 HB3 ARG A 97 3.715 -3.373 -5.731 1.00 0.00 H new ATOM 0 HG2 ARG A 97 5.411 -1.353 -5.361 1.00 0.00 H new ATOM 0 HG3 ARG A 97 6.560 -2.466 -6.078 1.00 0.00 H new ATOM 0 HD2 ARG A 97 4.594 -2.795 -7.869 1.00 0.00 H new ATOM 0 HD3 ARG A 97 4.115 -1.209 -7.296 1.00 0.00 H new ATOM 0 HE ARG A 97 6.961 -1.385 -7.974 1.00 0.00 H new ATOM 0 HH11 ARG A 97 3.687 -0.813 -9.166 1.00 0.00 H new ATOM 0 HH12 ARG A 97 4.234 0.127 -10.559 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.656 -0.177 -9.766 1.00 0.00 H new ATOM 0 HH22 ARG A 97 6.471 0.485 -10.897 1.00 0.00 H new ATOM 1454 N ALA A 98 6.449 -5.072 -3.335 1.00 0.00 N ATOM 1455 CA ALA A 98 7.745 -5.562 -2.882 1.00 0.00 C ATOM 1456 C ALA A 98 8.684 -5.799 -4.060 1.00 0.00 C ATOM 1457 O ALA A 98 8.274 -6.316 -5.100 1.00 0.00 O ATOM 1458 CB ALA A 98 7.574 -6.840 -2.075 1.00 0.00 C ATOM 0 H ALA A 98 5.797 -5.803 -3.619 1.00 0.00 H new ATOM 0 HA ALA A 98 8.191 -4.800 -2.243 1.00 0.00 H new ATOM 0 HB1 ALA A 98 8.550 -7.194 -1.743 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.946 -6.641 -1.207 1.00 0.00 H new ATOM 0 HB3 ALA A 98 7.103 -7.602 -2.696 1.00 0.00 H new ATOM 1464 N HIS A 99 9.947 -5.419 -3.890 1.00 0.00 N ATOM 1465 CA HIS A 99 10.945 -5.591 -4.940 1.00 0.00 C ATOM 1466 C HIS A 99 11.919 -6.710 -4.586 1.00 0.00 C ATOM 1467 O HIS A 99 12.549 -6.689 -3.528 1.00 0.00 O ATOM 1468 CB HIS A 99 11.709 -4.286 -5.164 1.00 0.00 C ATOM 1469 CG HIS A 99 11.035 -3.354 -6.123 1.00 0.00 C ATOM 1470 ND1 HIS A 99 11.430 -2.888 -7.331 1.00 0.00 N flip ATOM 1471 CD2 HIS A 99 9.801 -2.788 -5.881 1.00 0.00 C flip ATOM 1472 CE1 HIS A 99 10.438 -2.059 -7.793 1.00 0.00 C flip ATOM 1473 NE2 HIS A 99 9.466 -2.016 -6.899 1.00 0.00 N flip ATOM 0 H HIS A 99 10.303 -4.990 -3.036 1.00 0.00 H new ATOM 0 HA HIS A 99 10.426 -5.863 -5.859 1.00 0.00 H new ATOM 0 HB2 HIS A 99 11.836 -3.780 -4.207 1.00 0.00 H new ATOM 0 HB3 HIS A 99 12.707 -4.518 -5.536 1.00 0.00 H new ATOM 0 HD1 HIS A 99 12.303 -3.111 -7.809 1.00 0.00 H new ATOM 0 HD2 HIS A 99 9.202 -2.951 -4.997 1.00 0.00 H new ATOM 0 HE1 HIS A 99 10.450 -1.529 -8.734 1.00 0.00 H new ATOM 1482 N THR A 100 12.037 -7.690 -5.477 1.00 0.00 N ATOM 1483 CA THR A 100 12.932 -8.819 -5.258 1.00 0.00 C ATOM 1484 C THR A 100 14.306 -8.556 -5.862 1.00 0.00 C ATOM 1485 O THR A 100 14.456 -7.711 -6.745 1.00 0.00 O ATOM 1486 CB THR A 100 12.358 -10.115 -5.860 1.00 0.00 C ATOM 1487 OG1 THR A 100 11.705 -9.832 -7.102 1.00 0.00 O ATOM 1488 CG2 THR A 100 11.374 -10.768 -4.901 1.00 0.00 C ATOM 0 H THR A 100 11.523 -7.724 -6.358 1.00 0.00 H new ATOM 0 HA THR A 100 13.030 -8.941 -4.179 1.00 0.00 H new ATOM 0 HB THR A 100 13.184 -10.805 -6.034 1.00 0.00 H new ATOM 0 HG1 THR A 100 12.182 -9.112 -7.566 1.00 0.00 H new ATOM 0 HG21 THR A 100 10.982 -11.681 -5.348 1.00 0.00 H new ATOM 0 HG22 THR A 100 11.882 -11.010 -3.967 1.00 0.00 H new ATOM 0 HG23 THR A 100 10.552 -10.081 -4.699 1.00 0.00 H new ATOM 1496 N ASP A 101 15.308 -9.286 -5.383 1.00 0.00 N ATOM 1497 CA ASP A 101 16.671 -9.132 -5.878 1.00 0.00 C ATOM 1498 C ASP A 101 16.762 -9.526 -7.348 1.00 0.00 C ATOM 1499 O ASP A 101 17.781 -9.297 -8.001 1.00 0.00 O ATOM 1500 CB ASP A 101 17.636 -9.982 -5.048 1.00 0.00 C ATOM 1501 CG ASP A 101 18.961 -10.204 -5.750 1.00 0.00 C ATOM 1502 OD1 ASP A 101 18.995 -10.995 -6.716 1.00 0.00 O ATOM 1503 OD2 ASP A 101 19.964 -9.587 -5.333 1.00 0.00 O ATOM 0 H ASP A 101 15.202 -9.990 -4.653 1.00 0.00 H new ATOM 0 HA ASP A 101 16.950 -8.083 -5.784 1.00 0.00 H new ATOM 0 HB2 ASP A 101 17.813 -9.494 -4.089 1.00 0.00 H new ATOM 0 HB3 ASP A 101 17.175 -10.946 -4.835 1.00 0.00 H new ATOM 1508 N VAL A 102 15.692 -10.122 -7.864 1.00 0.00 N ATOM 1509 CA VAL A 102 15.651 -10.548 -9.258 1.00 0.00 C ATOM 1510 C VAL A 102 14.918 -9.528 -10.123 1.00 0.00 C ATOM 1511 O VAL A 102 15.153 -9.437 -11.327 1.00 0.00 O ATOM 1512 CB VAL A 102 14.963 -11.918 -9.406 1.00 0.00 C ATOM 1513 CG1 VAL A 102 15.714 -12.980 -8.617 1.00 0.00 C ATOM 1514 CG2 VAL A 102 13.512 -11.837 -8.959 1.00 0.00 C ATOM 0 H VAL A 102 14.841 -10.321 -7.337 1.00 0.00 H new ATOM 0 HA VAL A 102 16.685 -10.630 -9.594 1.00 0.00 H new ATOM 0 HB VAL A 102 14.979 -12.201 -10.458 1.00 0.00 H new ATOM 0 HG11 VAL A 102 15.214 -13.941 -8.733 1.00 0.00 H new ATOM 0 HG12 VAL A 102 16.736 -13.055 -8.989 1.00 0.00 H new ATOM 0 HG13 VAL A 102 15.732 -12.705 -7.562 1.00 0.00 H new ATOM 0 HG21 VAL A 102 13.042 -12.814 -9.071 1.00 0.00 H new ATOM 0 HG22 VAL A 102 13.470 -11.531 -7.914 1.00 0.00 H new ATOM 0 HG23 VAL A 102 12.983 -11.108 -9.572 1.00 0.00 H new ATOM 1524 N GLY A 103 14.029 -8.761 -9.500 1.00 0.00 N ATOM 1525 CA GLY A 103 13.276 -7.757 -10.228 1.00 0.00 C ATOM 1526 C GLY A 103 12.159 -7.155 -9.398 1.00 0.00 C ATOM 1527 O GLY A 103 11.969 -7.499 -8.231 1.00 0.00 O ATOM 0 H GLY A 103 13.817 -8.817 -8.504 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.951 -6.965 -10.552 1.00 0.00 H new ATOM 0 HA3 GLY A 103 12.855 -8.205 -11.128 1.00 0.00 H new ATOM 1531 N PRO A 104 11.397 -6.232 -10.004 1.00 0.00 N ATOM 1532 CA PRO A 104 10.281 -5.561 -9.332 1.00 0.00 C ATOM 1533 C PRO A 104 9.109 -6.502 -9.075 1.00 0.00 C ATOM 1534 O PRO A 104 9.143 -7.671 -9.458 1.00 0.00 O ATOM 1535 CB PRO A 104 9.879 -4.464 -10.321 1.00 0.00 C ATOM 1536 CG PRO A 104 10.321 -4.972 -11.650 1.00 0.00 C ATOM 1537 CD PRO A 104 11.566 -5.774 -11.394 1.00 0.00 C ATOM 0 HA PRO A 104 10.564 -5.185 -8.349 1.00 0.00 H new ATOM 0 HB2 PRO A 104 8.803 -4.289 -10.302 1.00 0.00 H new ATOM 0 HB3 PRO A 104 10.361 -3.517 -10.079 1.00 0.00 H new ATOM 0 HG2 PRO A 104 9.548 -5.588 -12.109 1.00 0.00 H new ATOM 0 HG3 PRO A 104 10.521 -4.149 -12.335 1.00 0.00 H new ATOM 0 HD2 PRO A 104 11.653 -6.612 -12.085 1.00 0.00 H new ATOM 0 HD3 PRO A 104 12.465 -5.169 -11.511 1.00 0.00 H new ATOM 1545 N GLY A 105 8.072 -5.984 -8.423 1.00 0.00 N ATOM 1546 CA GLY A 105 6.903 -6.792 -8.126 1.00 0.00 C ATOM 1547 C GLY A 105 5.607 -6.083 -8.465 1.00 0.00 C ATOM 1548 O GLY A 105 5.575 -4.872 -8.683 1.00 0.00 O ATOM 0 H GLY A 105 8.021 -5.019 -8.095 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.959 -7.726 -8.685 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.905 -7.053 -7.068 1.00 0.00 H new ATOM 1552 N PRO A 106 4.506 -6.848 -8.516 1.00 0.00 N ATOM 1553 CA PRO A 106 3.181 -6.307 -8.832 1.00 0.00 C ATOM 1554 C PRO A 106 2.634 -5.422 -7.716 1.00 0.00 C ATOM 1555 O PRO A 106 3.057 -5.528 -6.565 1.00 0.00 O ATOM 1556 CB PRO A 106 2.316 -7.559 -8.993 1.00 0.00 C ATOM 1557 CG PRO A 106 3.000 -8.600 -8.176 1.00 0.00 C ATOM 1558 CD PRO A 106 4.470 -8.299 -8.268 1.00 0.00 C ATOM 0 HA PRO A 106 3.202 -5.669 -9.716 1.00 0.00 H new ATOM 0 HB2 PRO A 106 1.299 -7.385 -8.642 1.00 0.00 H new ATOM 0 HB3 PRO A 106 2.245 -7.859 -10.038 1.00 0.00 H new ATOM 0 HG2 PRO A 106 2.660 -8.570 -7.141 1.00 0.00 H new ATOM 0 HG3 PRO A 106 2.782 -9.599 -8.554 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.993 -8.563 -7.348 1.00 0.00 H new ATOM 0 HD3 PRO A 106 4.945 -8.857 -9.075 1.00 0.00 H new ATOM 1566 N GLU A 107 1.693 -4.551 -8.065 1.00 0.00 N ATOM 1567 CA GLU A 107 1.090 -3.649 -7.091 1.00 0.00 C ATOM 1568 C GLU A 107 0.125 -4.400 -6.178 1.00 0.00 C ATOM 1569 O GLU A 107 -0.151 -5.581 -6.386 1.00 0.00 O ATOM 1570 CB GLU A 107 0.354 -2.512 -7.804 1.00 0.00 C ATOM 1571 CG GLU A 107 -1.099 -2.828 -8.114 1.00 0.00 C ATOM 1572 CD GLU A 107 -1.250 -3.959 -9.112 1.00 0.00 C ATOM 1573 OE1 GLU A 107 -1.196 -3.687 -10.330 1.00 0.00 O ATOM 1574 OE2 GLU A 107 -1.421 -5.117 -8.676 1.00 0.00 O ATOM 0 H GLU A 107 1.332 -4.451 -9.014 1.00 0.00 H new ATOM 0 HA GLU A 107 1.889 -3.229 -6.480 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.398 -1.617 -7.184 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.873 -2.281 -8.734 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -1.614 -3.092 -7.191 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -1.585 -1.935 -8.506 1.00 0.00 H new ATOM 1581 N SER A 108 -0.384 -3.705 -5.165 1.00 0.00 N ATOM 1582 CA SER A 108 -1.314 -4.306 -4.217 1.00 0.00 C ATOM 1583 C SER A 108 -2.656 -3.581 -4.238 1.00 0.00 C ATOM 1584 O SER A 108 -2.843 -2.620 -4.984 1.00 0.00 O ATOM 1585 CB SER A 108 -0.727 -4.275 -2.804 1.00 0.00 C ATOM 1586 OG SER A 108 -0.470 -2.945 -2.388 1.00 0.00 O ATOM 0 H SER A 108 -0.168 -2.725 -4.980 1.00 0.00 H new ATOM 0 HA SER A 108 -1.476 -5.342 -4.513 1.00 0.00 H new ATOM 0 HB2 SER A 108 -1.419 -4.750 -2.109 1.00 0.00 H new ATOM 0 HB3 SER A 108 0.197 -4.853 -2.778 1.00 0.00 H new ATOM 0 HG SER A 108 0.478 -2.737 -2.524 1.00 0.00 H new ATOM 1592 N SER A 109 -3.588 -4.049 -3.414 1.00 0.00 N ATOM 1593 CA SER A 109 -4.914 -3.448 -3.340 1.00 0.00 C ATOM 1594 C SER A 109 -4.831 -2.005 -2.851 1.00 0.00 C ATOM 1595 O SER A 109 -4.358 -1.722 -1.750 1.00 0.00 O ATOM 1596 CB SER A 109 -5.815 -4.262 -2.409 1.00 0.00 C ATOM 1597 OG SER A 109 -7.177 -3.910 -2.579 1.00 0.00 O ATOM 0 H SER A 109 -3.449 -4.843 -2.788 1.00 0.00 H new ATOM 0 HA SER A 109 -5.342 -3.450 -4.342 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.684 -5.325 -2.609 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.519 -4.094 -1.373 1.00 0.00 H new ATOM 0 HG SER A 109 -7.731 -4.446 -1.974 1.00 0.00 H new ATOM 1603 N PRO A 110 -5.301 -1.069 -3.689 1.00 0.00 N ATOM 1604 CA PRO A 110 -5.291 0.360 -3.365 1.00 0.00 C ATOM 1605 C PRO A 110 -6.283 0.711 -2.261 1.00 0.00 C ATOM 1606 O PRO A 110 -7.458 0.351 -2.331 1.00 0.00 O ATOM 1607 CB PRO A 110 -5.700 1.025 -4.682 1.00 0.00 C ATOM 1608 CG PRO A 110 -6.486 -0.015 -5.404 1.00 0.00 C ATOM 1609 CD PRO A 110 -5.878 -1.335 -5.018 1.00 0.00 C ATOM 0 HA PRO A 110 -4.321 0.686 -2.990 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.296 1.920 -4.505 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.827 1.332 -5.258 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.539 0.027 -5.124 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -6.437 0.137 -6.482 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.626 -2.126 -4.980 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -5.116 -1.651 -5.731 1.00 0.00 H new ATOM 1617 N VAL A 111 -5.803 1.417 -1.242 1.00 0.00 N ATOM 1618 CA VAL A 111 -6.648 1.818 -0.124 1.00 0.00 C ATOM 1619 C VAL A 111 -7.004 3.298 -0.208 1.00 0.00 C ATOM 1620 O VAL A 111 -6.123 4.158 -0.261 1.00 0.00 O ATOM 1621 CB VAL A 111 -5.960 1.542 1.226 1.00 0.00 C ATOM 1622 CG1 VAL A 111 -6.764 2.145 2.368 1.00 0.00 C ATOM 1623 CG2 VAL A 111 -5.768 0.047 1.430 1.00 0.00 C ATOM 0 H VAL A 111 -4.833 1.723 -1.168 1.00 0.00 H new ATOM 0 HA VAL A 111 -7.560 1.224 -0.187 1.00 0.00 H new ATOM 0 HB VAL A 111 -4.977 2.013 1.216 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -6.263 1.940 3.314 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -6.845 3.223 2.226 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -7.761 1.705 2.383 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -5.281 -0.130 2.389 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -6.738 -0.449 1.419 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.147 -0.353 0.628 1.00 0.00 H new ATOM 1633 N LEU A 112 -8.300 3.589 -0.218 1.00 0.00 N ATOM 1634 CA LEU A 112 -8.774 4.966 -0.294 1.00 0.00 C ATOM 1635 C LEU A 112 -8.735 5.633 1.077 1.00 0.00 C ATOM 1636 O LEU A 112 -9.444 5.226 1.997 1.00 0.00 O ATOM 1637 CB LEU A 112 -10.198 5.006 -0.852 1.00 0.00 C ATOM 1638 CG LEU A 112 -10.429 4.244 -2.157 1.00 0.00 C ATOM 1639 CD1 LEU A 112 -11.898 4.286 -2.547 1.00 0.00 C ATOM 1640 CD2 LEU A 112 -9.563 4.816 -3.270 1.00 0.00 C ATOM 0 H LEU A 112 -9.041 2.890 -0.174 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.112 5.515 -0.963 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -10.874 4.606 -0.096 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -10.476 6.048 -1.009 1.00 0.00 H new ATOM 0 HG LEU A 112 -10.145 3.203 -2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -12.043 3.738 -3.478 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.497 3.828 -1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -12.209 5.322 -2.683 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -9.741 4.261 -4.191 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.815 5.865 -3.424 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.512 4.732 -2.993 1.00 0.00 H new ATOM 1652 N VAL A 113 -7.901 6.661 1.206 1.00 0.00 N ATOM 1653 CA VAL A 113 -7.771 7.386 2.464 1.00 0.00 C ATOM 1654 C VAL A 113 -7.972 8.883 2.258 1.00 0.00 C ATOM 1655 O VAL A 113 -7.335 9.493 1.399 1.00 0.00 O ATOM 1656 CB VAL A 113 -6.394 7.147 3.110 1.00 0.00 C ATOM 1657 CG1 VAL A 113 -6.176 5.665 3.372 1.00 0.00 C ATOM 1658 CG2 VAL A 113 -5.288 7.709 2.229 1.00 0.00 C ATOM 0 H VAL A 113 -7.306 7.010 0.455 1.00 0.00 H new ATOM 0 HA VAL A 113 -8.546 7.007 3.130 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.366 7.668 4.067 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.198 5.516 3.829 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -6.950 5.297 4.045 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.224 5.118 2.430 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.322 7.531 2.701 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.313 7.218 1.256 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.436 8.781 2.098 1.00 0.00 H new ATOM 1668 N ARG A 114 -8.860 9.471 3.053 1.00 0.00 N ATOM 1669 CA ARG A 114 -9.145 10.898 2.958 1.00 0.00 C ATOM 1670 C ARG A 114 -8.467 11.664 4.090 1.00 0.00 C ATOM 1671 O ARG A 114 -8.887 11.587 5.245 1.00 0.00 O ATOM 1672 CB ARG A 114 -10.654 11.141 2.994 1.00 0.00 C ATOM 1673 CG ARG A 114 -11.032 12.610 3.098 1.00 0.00 C ATOM 1674 CD ARG A 114 -12.495 12.784 3.472 1.00 0.00 C ATOM 1675 NE ARG A 114 -13.373 12.690 2.309 1.00 0.00 N ATOM 1676 CZ ARG A 114 -14.699 12.671 2.388 1.00 0.00 C ATOM 1677 NH1 ARG A 114 -15.297 12.741 3.569 1.00 0.00 N ATOM 1678 NH2 ARG A 114 -15.429 12.583 1.284 1.00 0.00 N ATOM 0 H ARG A 114 -9.395 8.981 3.770 1.00 0.00 H new ATOM 0 HA ARG A 114 -8.749 11.261 2.010 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -11.103 10.722 2.093 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -11.080 10.604 3.842 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -10.404 13.096 3.845 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -10.837 13.105 2.147 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -12.776 12.023 4.200 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -12.633 13.752 3.953 1.00 0.00 H new ATOM 0 HE ARG A 114 -12.945 12.636 1.385 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -14.739 12.810 4.420 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -16.315 12.726 3.627 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -14.972 12.530 0.374 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -16.447 12.568 1.346 1.00 0.00 H new ATOM 1692 N THR A 115 -7.416 12.404 3.751 1.00 0.00 N ATOM 1693 CA THR A 115 -6.679 13.183 4.738 1.00 0.00 C ATOM 1694 C THR A 115 -7.623 14.020 5.594 1.00 0.00 C ATOM 1695 O THR A 115 -8.778 14.240 5.228 1.00 0.00 O ATOM 1696 CB THR A 115 -5.652 14.114 4.067 1.00 0.00 C ATOM 1697 OG1 THR A 115 -6.258 14.797 2.964 1.00 0.00 O ATOM 1698 CG2 THR A 115 -4.445 13.326 3.581 1.00 0.00 C ATOM 0 H THR A 115 -7.056 12.480 2.800 1.00 0.00 H new ATOM 0 HA THR A 115 -6.152 12.471 5.373 1.00 0.00 H new ATOM 0 HB THR A 115 -5.317 14.843 4.805 1.00 0.00 H new ATOM 0 HG1 THR A 115 -5.569 15.277 2.458 1.00 0.00 H new ATOM 0 HG21 THR A 115 -3.733 14.004 3.111 1.00 0.00 H new ATOM 0 HG22 THR A 115 -3.969 12.830 4.427 1.00 0.00 H new ATOM 0 HG23 THR A 115 -4.767 12.578 2.856 1.00 0.00 H new ATOM 1706 N ASP A 116 -7.125 14.485 6.734 1.00 0.00 N ATOM 1707 CA ASP A 116 -7.924 15.301 7.641 1.00 0.00 C ATOM 1708 C ASP A 116 -8.504 16.511 6.916 1.00 0.00 C ATOM 1709 O ASP A 116 -7.918 17.010 5.956 1.00 0.00 O ATOM 1710 CB ASP A 116 -7.077 15.759 8.829 1.00 0.00 C ATOM 1711 CG ASP A 116 -6.944 14.687 9.893 1.00 0.00 C ATOM 1712 OD1 ASP A 116 -7.913 13.927 10.094 1.00 0.00 O ATOM 1713 OD2 ASP A 116 -5.869 14.609 10.524 1.00 0.00 O ATOM 0 H ASP A 116 -6.172 14.311 7.052 1.00 0.00 H new ATOM 0 HA ASP A 116 -8.749 14.691 8.008 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -6.085 16.042 8.477 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -7.525 16.650 9.269 1.00 0.00 H new ATOM 1718 N GLU A 117 -9.658 16.978 7.383 1.00 0.00 N ATOM 1719 CA GLU A 117 -10.317 18.129 6.777 1.00 0.00 C ATOM 1720 C GLU A 117 -9.820 19.430 7.400 1.00 0.00 C ATOM 1721 O GLU A 117 -9.504 19.481 8.589 1.00 0.00 O ATOM 1722 CB GLU A 117 -11.835 18.019 6.939 1.00 0.00 C ATOM 1723 CG GLU A 117 -12.361 18.681 8.202 1.00 0.00 C ATOM 1724 CD GLU A 117 -13.801 18.309 8.498 1.00 0.00 C ATOM 1725 OE1 GLU A 117 -14.673 18.587 7.649 1.00 0.00 O ATOM 1726 OE2 GLU A 117 -14.055 17.740 9.580 1.00 0.00 O ATOM 0 H GLU A 117 -10.155 16.577 8.178 1.00 0.00 H new ATOM 0 HA GLU A 117 -10.072 18.139 5.715 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -12.318 18.472 6.073 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.116 16.966 6.947 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -11.734 18.394 9.046 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -12.283 19.763 8.100 1.00 0.00 H new