USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 851 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 Single : A 5 LYS NZ :NH3+ -159:sc= 1.28 (180deg=1.01) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -64:sc= 0.475 USER MOD Single : A 41 HIS : no HD1:sc= 0.738 K(o=0.74,f=-2.3!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : B 3 MET CE :methyl 176:sc= -0.0995 (180deg=-0.126) USER MOD Single : B 5 LYS NZ :NH3+ -140:sc= 0.581 (180deg=0.0901) USER MOD Single : B 9 THR OG1 : rot 170:sc= 0.76 USER MOD Single : B 10 LYS NZ :NH3+ 175:sc= 1.2 (180deg=1.13) USER MOD Single : B 34 THR OG1 : rot 180:sc= 0 USER MOD Single : B 35 THR OG1 : rot 180:sc= 0 USER MOD Single : B 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 87 N ALA A 4 10.887 12.766 3.862 1.00 0.00 N ATOM 88 CA ALA A 4 9.688 12.599 4.686 1.00 0.00 C ATOM 89 C ALA A 4 8.415 13.148 4.016 1.00 0.00 C ATOM 90 O ALA A 4 8.464 14.005 3.128 1.00 0.00 O ATOM 91 CB ALA A 4 9.917 13.290 6.037 1.00 0.00 C ATOM 0 HA ALA A 4 9.524 11.530 4.822 1.00 0.00 H new ATOM 0 HB1 ALA A 4 9.031 13.173 6.660 1.00 0.00 H new ATOM 0 HB2 ALA A 4 10.774 12.838 6.536 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.109 14.351 5.875 1.00 0.00 H new ATOM 97 N LYS A 5 7.265 12.694 4.521 1.00 0.00 N ATOM 98 CA LYS A 5 5.983 13.403 4.421 1.00 0.00 C ATOM 99 C LYS A 5 5.810 14.294 5.654 1.00 0.00 C ATOM 100 O LYS A 5 5.890 13.792 6.771 1.00 0.00 O ATOM 101 CB LYS A 5 4.848 12.380 4.271 1.00 0.00 C ATOM 102 CG LYS A 5 3.455 13.023 4.397 1.00 0.00 C ATOM 103 CD LYS A 5 2.346 12.035 4.026 1.00 0.00 C ATOM 104 CE LYS A 5 0.990 12.665 4.361 1.00 0.00 C ATOM 105 NZ LYS A 5 -0.128 11.954 3.694 1.00 0.00 N1+ ATOM 0 H LYS A 5 7.196 11.807 5.020 1.00 0.00 H new ATOM 0 HA LYS A 5 5.959 14.046 3.541 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.932 11.889 3.302 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.958 11.606 5.031 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.306 13.373 5.418 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.397 13.897 3.749 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.397 11.792 2.965 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.474 11.101 4.574 1.00 0.00 H new ATOM 0 HE2 LYS A 5 0.839 12.649 5.440 1.00 0.00 H new ATOM 0 HE3 LYS A 5 0.990 13.711 4.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.956 12.582 3.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 0.160 11.678 2.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.373 11.103 4.240 1.00 0.00 H new ATOM 119 N VAL A 6 5.525 15.583 5.470 1.00 0.00 N ATOM 120 CA VAL A 6 5.162 16.509 6.563 1.00 0.00 C ATOM 121 C VAL A 6 3.653 16.792 6.532 1.00 0.00 C ATOM 122 O VAL A 6 3.085 16.980 5.453 1.00 0.00 O ATOM 123 CB VAL A 6 6.006 17.801 6.514 1.00 0.00 C ATOM 124 CG1 VAL A 6 5.614 18.821 7.585 1.00 0.00 C ATOM 125 CG2 VAL A 6 7.501 17.504 6.699 1.00 0.00 C ATOM 0 H VAL A 6 5.537 16.026 4.551 1.00 0.00 H new ATOM 0 HA VAL A 6 5.391 16.034 7.517 1.00 0.00 H new ATOM 0 HB VAL A 6 5.808 18.222 5.528 1.00 0.00 H new ATOM 0 HG11 VAL A 6 6.246 19.705 7.494 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.570 19.106 7.452 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.746 18.380 8.573 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.065 18.436 6.659 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.660 17.025 7.665 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.841 16.840 5.904 1.00 0.00 H new ATOM 135 N VAL A 7 2.991 16.822 7.695 1.00 0.00 N ATOM 136 CA VAL A 7 1.549 17.101 7.842 1.00 0.00 C ATOM 137 C VAL A 7 1.278 18.095 8.973 1.00 0.00 C ATOM 138 O VAL A 7 1.901 18.039 10.035 1.00 0.00 O ATOM 139 CB VAL A 7 0.733 15.797 7.984 1.00 0.00 C ATOM 140 CG1 VAL A 7 1.189 14.891 9.133 1.00 0.00 C ATOM 141 CG2 VAL A 7 -0.766 16.075 8.189 1.00 0.00 C ATOM 0 H VAL A 7 3.453 16.648 8.588 1.00 0.00 H new ATOM 0 HA VAL A 7 1.209 17.582 6.925 1.00 0.00 H new ATOM 0 HB VAL A 7 0.910 15.280 7.041 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.564 13.998 9.162 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.228 14.602 8.978 1.00 0.00 H new ATOM 0 HG13 VAL A 7 1.099 15.428 10.077 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.302 15.130 8.284 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.906 16.664 9.095 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.154 16.628 7.333 1.00 0.00 H new ATOM 151 N LEU A 8 0.335 19.017 8.744 1.00 0.00 N ATOM 152 CA LEU A 8 -0.095 20.061 9.680 1.00 0.00 C ATOM 153 C LEU A 8 -1.590 20.381 9.513 1.00 0.00 C ATOM 154 O LEU A 8 -2.179 20.086 8.471 1.00 0.00 O ATOM 155 CB LEU A 8 0.794 21.310 9.484 1.00 0.00 C ATOM 156 CG LEU A 8 0.619 22.061 8.147 1.00 0.00 C ATOM 157 CD1 LEU A 8 -0.393 23.208 8.229 1.00 0.00 C ATOM 158 CD2 LEU A 8 1.957 22.647 7.688 1.00 0.00 C ATOM 0 H LEU A 8 -0.172 19.057 7.860 1.00 0.00 H new ATOM 0 HA LEU A 8 0.026 19.705 10.703 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.593 22.006 10.298 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.837 21.007 9.574 1.00 0.00 H new ATOM 0 HG LEU A 8 0.245 21.323 7.437 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.470 23.695 7.257 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.368 22.813 8.515 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.062 23.933 8.973 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.819 23.174 6.744 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.327 23.343 8.441 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.679 21.842 7.552 1.00 0.00 H new ATOM 266 N VAL A 16 -2.864 20.634 5.674 1.00 0.00 N ATOM 267 CA VAL A 16 -1.871 20.717 4.590 1.00 0.00 C ATOM 268 C VAL A 16 -0.908 19.532 4.721 1.00 0.00 C ATOM 269 O VAL A 16 -0.441 19.209 5.811 1.00 0.00 O ATOM 270 CB VAL A 16 -1.127 22.070 4.584 1.00 0.00 C ATOM 271 CG1 VAL A 16 -0.069 22.151 3.475 1.00 0.00 C ATOM 272 CG2 VAL A 16 -2.093 23.247 4.415 1.00 0.00 C ATOM 0 HA VAL A 16 -2.383 20.662 3.629 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.632 22.135 5.553 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.425 23.122 3.514 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.669 21.362 3.618 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.549 22.027 2.504 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.532 24.181 4.416 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.628 23.146 3.471 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.807 23.252 5.238 1.00 0.00 H new ATOM 282 N GLU A 17 -0.629 18.856 3.603 1.00 0.00 N ATOM 283 CA GLU A 17 0.218 17.654 3.522 1.00 0.00 C ATOM 284 C GLU A 17 1.256 17.812 2.395 1.00 0.00 C ATOM 285 O GLU A 17 0.912 18.213 1.280 1.00 0.00 O ATOM 286 CB GLU A 17 -0.648 16.392 3.331 1.00 0.00 C ATOM 287 CG GLU A 17 -1.480 16.063 4.584 1.00 0.00 C ATOM 288 CD GLU A 17 -2.468 14.898 4.392 1.00 0.00 C ATOM 289 OE1 GLU A 17 -2.120 13.887 3.733 1.00 0.00 O ATOM 290 OE2 GLU A 17 -3.600 14.961 4.936 1.00 0.00 O1- ATOM 0 H GLU A 17 -0.998 19.138 2.695 1.00 0.00 H new ATOM 0 HA GLU A 17 0.760 17.536 4.460 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.315 16.536 2.481 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.005 15.545 3.091 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.803 15.821 5.403 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.036 16.952 4.882 1.00 0.00 H new ATOM 297 N ILE A 18 2.528 17.533 2.696 1.00 0.00 N ATOM 298 CA ILE A 18 3.688 17.855 1.847 1.00 0.00 C ATOM 299 C ILE A 18 4.596 16.626 1.720 1.00 0.00 C ATOM 300 O ILE A 18 5.242 16.223 2.687 1.00 0.00 O ATOM 301 CB ILE A 18 4.468 19.074 2.412 1.00 0.00 C ATOM 302 CG1 ILE A 18 3.540 20.275 2.720 1.00 0.00 C ATOM 303 CG2 ILE A 18 5.581 19.489 1.426 1.00 0.00 C ATOM 304 CD1 ILE A 18 4.263 21.474 3.337 1.00 0.00 C ATOM 0 H ILE A 18 2.791 17.063 3.562 1.00 0.00 H new ATOM 0 HA ILE A 18 3.332 18.128 0.853 1.00 0.00 H new ATOM 0 HB ILE A 18 4.916 18.768 3.358 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.054 20.592 1.797 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.753 19.949 3.400 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.124 20.344 1.829 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.270 18.656 1.284 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.136 19.760 0.468 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.547 22.274 3.524 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.726 21.175 4.277 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.032 21.828 2.650 1.00 0.00 H new ATOM 316 N GLY A 19 4.638 16.024 0.530 1.00 0.00 N ATOM 317 CA GLY A 19 5.512 14.884 0.215 1.00 0.00 C ATOM 318 C GLY A 19 6.938 15.291 -0.174 1.00 0.00 C ATOM 319 O GLY A 19 7.201 16.439 -0.537 1.00 0.00 O ATOM 0 H GLY A 19 4.058 16.317 -0.257 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.556 14.221 1.079 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.070 14.314 -0.602 1.00 0.00 H new ATOM 323 N ASP A 20 7.851 14.317 -0.129 1.00 0.00 N ATOM 324 CA ASP A 20 9.246 14.419 -0.599 1.00 0.00 C ATOM 325 C ASP A 20 10.058 15.574 0.029 1.00 0.00 C ATOM 326 O ASP A 20 10.865 16.231 -0.635 1.00 0.00 O ATOM 327 CB ASP A 20 9.315 14.353 -2.133 1.00 0.00 C ATOM 328 CG ASP A 20 8.595 13.136 -2.739 1.00 0.00 C ATOM 329 OD1 ASP A 20 8.136 13.227 -3.905 1.00 0.00 O ATOM 330 OD2 ASP A 20 8.517 12.063 -2.087 1.00 0.00 O1- ATOM 0 H ASP A 20 7.635 13.395 0.251 1.00 0.00 H new ATOM 0 HA ASP A 20 9.766 13.539 -0.221 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.879 15.263 -2.546 1.00 0.00 H new ATOM 0 HB3 ASP A 20 10.361 14.333 -2.439 1.00 0.00 H new ATOM 335 N VAL A 21 9.860 15.833 1.328 1.00 0.00 N ATOM 336 CA VAL A 21 10.630 16.821 2.109 1.00 0.00 C ATOM 337 C VAL A 21 12.029 16.284 2.437 1.00 0.00 C ATOM 338 O VAL A 21 12.165 15.275 3.127 1.00 0.00 O ATOM 339 CB VAL A 21 9.864 17.215 3.393 1.00 0.00 C ATOM 340 CG1 VAL A 21 10.678 18.139 4.311 1.00 0.00 C ATOM 341 CG2 VAL A 21 8.561 17.947 3.031 1.00 0.00 C ATOM 0 H VAL A 21 9.148 15.355 1.880 1.00 0.00 H new ATOM 0 HA VAL A 21 10.753 17.719 1.504 1.00 0.00 H new ATOM 0 HB VAL A 21 9.663 16.284 3.923 1.00 0.00 H new ATOM 0 HG11 VAL A 21 10.090 18.382 5.196 1.00 0.00 H new ATOM 0 HG12 VAL A 21 11.596 17.635 4.613 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.926 19.056 3.777 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.031 18.219 3.944 1.00 0.00 H new ATOM 0 HG22 VAL A 21 8.795 18.849 2.465 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.932 17.293 2.427 1.00 0.00 H new ATOM 351 N LEU A 22 13.076 16.969 1.966 1.00 0.00 N ATOM 352 CA LEU A 22 14.487 16.661 2.247 1.00 0.00 C ATOM 353 C LEU A 22 14.898 17.065 3.677 1.00 0.00 C ATOM 354 O LEU A 22 15.664 16.354 4.329 1.00 0.00 O ATOM 355 CB LEU A 22 15.366 17.418 1.231 1.00 0.00 C ATOM 356 CG LEU A 22 15.355 16.831 -0.193 1.00 0.00 C ATOM 357 CD1 LEU A 22 15.929 17.856 -1.176 1.00 0.00 C ATOM 358 CD2 LEU A 22 16.233 15.580 -0.288 1.00 0.00 C ATOM 0 H LEU A 22 12.964 17.780 1.358 1.00 0.00 H new ATOM 0 HA LEU A 22 14.624 15.583 2.160 1.00 0.00 H new ATOM 0 HB2 LEU A 22 15.033 18.455 1.184 1.00 0.00 H new ATOM 0 HB3 LEU A 22 16.393 17.429 1.597 1.00 0.00 H new ATOM 0 HG LEU A 22 14.322 16.579 -0.432 1.00 0.00 H new ATOM 0 HD11 LEU A 22 15.920 17.439 -2.183 1.00 0.00 H new ATOM 0 HD12 LEU A 22 15.322 18.761 -1.153 1.00 0.00 H new ATOM 0 HD13 LEU A 22 16.953 18.098 -0.892 1.00 0.00 H new ATOM 0 HD21 LEU A 22 16.203 15.191 -1.306 1.00 0.00 H new ATOM 0 HD22 LEU A 22 17.260 15.836 -0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 22 15.862 14.822 0.401 1.00 0.00 H new ATOM 370 N GLU A 23 14.389 18.200 4.153 1.00 0.00 N ATOM 371 CA GLU A 23 14.678 18.756 5.481 1.00 0.00 C ATOM 372 C GLU A 23 13.518 19.641 5.981 1.00 0.00 C ATOM 373 O GLU A 23 12.896 20.373 5.202 1.00 0.00 O ATOM 374 CB GLU A 23 16.003 19.550 5.446 1.00 0.00 C ATOM 375 CG GLU A 23 16.414 20.081 6.828 1.00 0.00 C ATOM 376 CD GLU A 23 17.731 20.872 6.846 1.00 0.00 C ATOM 377 OE1 GLU A 23 18.196 21.188 7.967 1.00 0.00 O ATOM 378 OE2 GLU A 23 18.282 21.274 5.794 1.00 0.00 O1- ATOM 0 H GLU A 23 13.745 18.778 3.613 1.00 0.00 H new ATOM 0 HA GLU A 23 14.784 17.930 6.184 1.00 0.00 H new ATOM 0 HB2 GLU A 23 16.795 18.910 5.057 1.00 0.00 H new ATOM 0 HB3 GLU A 23 15.902 20.387 4.755 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.617 20.720 7.208 1.00 0.00 H new ATOM 0 HG3 GLU A 23 16.502 19.239 7.514 1.00 0.00 H new ATOM 385 N VAL A 24 13.266 19.607 7.292 1.00 0.00 N ATOM 386 CA VAL A 24 12.274 20.428 8.009 1.00 0.00 C ATOM 387 C VAL A 24 12.892 21.031 9.273 1.00 0.00 C ATOM 388 O VAL A 24 13.613 20.339 9.993 1.00 0.00 O ATOM 389 CB VAL A 24 10.999 19.610 8.296 1.00 0.00 C ATOM 390 CG1 VAL A 24 11.239 18.323 9.079 1.00 0.00 C ATOM 391 CG2 VAL A 24 9.924 20.420 9.029 1.00 0.00 C ATOM 0 H VAL A 24 13.770 18.978 7.917 1.00 0.00 H new ATOM 0 HA VAL A 24 11.973 21.263 7.376 1.00 0.00 H new ATOM 0 HB VAL A 24 10.649 19.343 7.299 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.290 17.811 9.237 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.912 17.675 8.517 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.687 18.562 10.044 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.051 19.792 9.203 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.318 20.767 9.984 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.638 21.279 8.421 1.00 0.00 H new ATOM 401 N ARG A 25 12.621 22.308 9.557 1.00 0.00 N ATOM 402 CA ARG A 25 13.188 23.080 10.677 1.00 0.00 C ATOM 403 C ARG A 25 12.110 23.859 11.436 1.00 0.00 C ATOM 404 O ARG A 25 11.259 24.487 10.809 1.00 0.00 O ATOM 405 CB ARG A 25 14.256 24.070 10.164 1.00 0.00 C ATOM 406 CG ARG A 25 15.386 23.436 9.339 1.00 0.00 C ATOM 407 CD ARG A 25 16.450 24.489 8.993 1.00 0.00 C ATOM 408 NE ARG A 25 17.503 23.915 8.135 1.00 0.00 N ATOM 409 CZ ARG A 25 18.335 24.565 7.345 1.00 0.00 C ATOM 410 NH1 ARG A 25 18.395 25.870 7.326 1.00 0.00 N1+ ATOM 411 NH2 ARG A 25 19.112 23.906 6.539 1.00 0.00 N ATOM 0 H ARG A 25 11.974 22.859 8.992 1.00 0.00 H new ATOM 0 HA ARG A 25 13.643 22.363 11.360 1.00 0.00 H new ATOM 0 HB2 ARG A 25 13.764 24.829 9.555 1.00 0.00 H new ATOM 0 HB3 ARG A 25 14.695 24.583 11.020 1.00 0.00 H new ATOM 0 HG2 ARG A 25 15.841 22.620 9.900 1.00 0.00 H new ATOM 0 HG3 ARG A 25 14.980 23.006 8.424 1.00 0.00 H new ATOM 0 HD2 ARG A 25 15.981 25.331 8.485 1.00 0.00 H new ATOM 0 HD3 ARG A 25 16.894 24.877 9.910 1.00 0.00 H new ATOM 0 HE ARG A 25 17.599 22.900 8.155 1.00 0.00 H new ATOM 0 HH11 ARG A 25 17.787 26.417 7.935 1.00 0.00 H new ATOM 0 HH12 ARG A 25 19.050 26.341 6.703 1.00 0.00 H new ATOM 0 HH21 ARG A 25 19.078 22.887 6.518 1.00 0.00 H new ATOM 0 HH22 ARG A 25 19.756 24.408 5.927 1.00 0.00 H new ATOM 425 N ALA A 26 12.170 23.879 12.764 1.00 0.00 N ATOM 426 CA ALA A 26 11.454 24.837 13.602 1.00 0.00 C ATOM 427 C ALA A 26 12.363 26.062 13.825 1.00 0.00 C ATOM 428 O ALA A 26 13.421 25.945 14.446 1.00 0.00 O ATOM 429 CB ALA A 26 11.055 24.138 14.907 1.00 0.00 C ATOM 0 H ALA A 26 12.730 23.216 13.300 1.00 0.00 H new ATOM 0 HA ALA A 26 10.538 25.192 13.130 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.519 24.839 15.546 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.412 23.287 14.682 1.00 0.00 H new ATOM 0 HB3 ALA A 26 11.950 23.790 15.422 1.00 0.00 H new ATOM 464 N ALA A 30 8.142 29.707 13.354 1.00 0.00 N ATOM 465 CA ALA A 30 7.499 29.011 12.237 1.00 0.00 C ATOM 466 C ALA A 30 8.182 27.658 11.964 1.00 0.00 C ATOM 467 O ALA A 30 9.388 27.520 12.188 1.00 0.00 O ATOM 468 CB ALA A 30 7.563 29.919 11.000 1.00 0.00 C ATOM 0 HA ALA A 30 6.459 28.800 12.485 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.089 29.418 10.156 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.041 30.853 11.207 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.604 30.131 10.758 1.00 0.00 H new ATOM 474 N VAL A 31 7.448 26.685 11.420 1.00 0.00 N ATOM 475 CA VAL A 31 8.074 25.500 10.793 1.00 0.00 C ATOM 476 C VAL A 31 8.286 25.731 9.298 1.00 0.00 C ATOM 477 O VAL A 31 7.421 26.293 8.626 1.00 0.00 O ATOM 478 CB VAL A 31 7.323 24.192 11.080 1.00 0.00 C ATOM 479 CG1 VAL A 31 7.967 23.000 10.357 1.00 0.00 C ATOM 480 CG2 VAL A 31 7.391 23.876 12.577 1.00 0.00 C ATOM 0 H VAL A 31 6.428 26.686 11.396 1.00 0.00 H new ATOM 0 HA VAL A 31 9.052 25.373 11.258 1.00 0.00 H new ATOM 0 HB VAL A 31 6.298 24.332 10.736 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.408 22.092 10.584 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.952 23.176 9.281 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.998 22.885 10.692 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.857 22.947 12.777 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.433 23.768 12.879 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.932 24.688 13.141 1.00 0.00 H new ATOM 490 N ARG A 32 9.446 25.318 8.781 1.00 0.00 N ATOM 491 CA ARG A 32 9.937 25.598 7.425 1.00 0.00 C ATOM 492 C ARG A 32 10.431 24.312 6.764 1.00 0.00 C ATOM 493 O ARG A 32 11.064 23.497 7.435 1.00 0.00 O ATOM 494 CB ARG A 32 11.052 26.669 7.491 1.00 0.00 C ATOM 495 CG ARG A 32 10.661 27.887 8.354 1.00 0.00 C ATOM 496 CD ARG A 32 11.725 28.988 8.349 1.00 0.00 C ATOM 497 NE ARG A 32 11.420 29.993 9.389 1.00 0.00 N ATOM 498 CZ ARG A 32 11.205 31.287 9.247 1.00 0.00 C ATOM 499 NH1 ARG A 32 11.261 31.894 8.095 1.00 0.00 N1+ ATOM 500 NH2 ARG A 32 10.916 31.992 10.298 1.00 0.00 N ATOM 0 H ARG A 32 10.101 24.752 9.320 1.00 0.00 H new ATOM 0 HA ARG A 32 9.123 25.988 6.814 1.00 0.00 H new ATOM 0 HB2 ARG A 32 11.958 26.219 7.896 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.287 27.005 6.481 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.719 28.297 7.989 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.490 27.559 9.379 1.00 0.00 H new ATOM 0 HD2 ARG A 32 12.709 28.555 8.528 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.761 29.466 7.370 1.00 0.00 H new ATOM 0 HE ARG A 32 11.369 29.639 10.344 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.479 31.366 7.250 1.00 0.00 H new ATOM 0 HH12 ARG A 32 11.087 32.897 8.038 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.859 31.544 11.213 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.746 32.994 10.209 1.00 0.00 H new ATOM 514 N VAL A 33 10.155 24.117 5.475 1.00 0.00 N ATOM 515 CA VAL A 33 10.459 22.877 4.725 1.00 0.00 C ATOM 516 C VAL A 33 11.163 23.152 3.397 1.00 0.00 C ATOM 517 O VAL A 33 10.908 24.173 2.751 1.00 0.00 O ATOM 518 CB VAL A 33 9.194 22.026 4.470 1.00 0.00 C ATOM 519 CG1 VAL A 33 8.596 21.464 5.760 1.00 0.00 C ATOM 520 CG2 VAL A 33 8.087 22.783 3.727 1.00 0.00 C ATOM 0 H VAL A 33 9.703 24.828 4.900 1.00 0.00 H new ATOM 0 HA VAL A 33 11.139 22.313 5.363 1.00 0.00 H new ATOM 0 HB VAL A 33 9.549 21.211 3.839 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.710 20.875 5.524 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.331 20.831 6.256 1.00 0.00 H new ATOM 0 HG13 VAL A 33 8.320 22.285 6.421 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.230 22.125 3.582 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.783 23.651 4.313 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.459 23.112 2.757 1.00 0.00 H new ATOM 530 N THR A 34 11.998 22.198 2.960 1.00 0.00 N ATOM 531 CA THR A 34 12.586 22.149 1.608 1.00 0.00 C ATOM 532 C THR A 34 12.277 20.803 0.948 1.00 0.00 C ATOM 533 O THR A 34 12.549 19.750 1.530 1.00 0.00 O ATOM 534 CB THR A 34 14.109 22.375 1.639 1.00 0.00 C ATOM 535 OG1 THR A 34 14.434 23.593 2.278 1.00 0.00 O ATOM 536 CG2 THR A 34 14.719 22.433 0.234 1.00 0.00 C ATOM 0 H THR A 34 12.292 21.419 3.549 1.00 0.00 H new ATOM 0 HA THR A 34 12.139 22.955 1.026 1.00 0.00 H new ATOM 0 HB THR A 34 14.517 21.525 2.186 1.00 0.00 H new ATOM 0 HG1 THR A 34 15.407 23.709 2.285 1.00 0.00 H new ATOM 0 HG21 THR A 34 15.794 22.594 0.311 1.00 0.00 H new ATOM 0 HG22 THR A 34 14.529 21.493 -0.284 1.00 0.00 H new ATOM 0 HG23 THR A 34 14.268 23.253 -0.325 1.00 0.00 H new ATOM 544 N THR A 35 11.708 20.826 -0.260 1.00 0.00 N ATOM 545 CA THR A 35 11.322 19.622 -1.021 1.00 0.00 C ATOM 546 C THR A 35 12.380 19.185 -2.041 1.00 0.00 C ATOM 547 O THR A 35 13.212 19.978 -2.489 1.00 0.00 O ATOM 548 CB THR A 35 9.970 19.798 -1.732 1.00 0.00 C ATOM 549 OG1 THR A 35 10.049 20.762 -2.756 1.00 0.00 O ATOM 550 CG2 THR A 35 8.832 20.181 -0.788 1.00 0.00 C ATOM 0 H THR A 35 11.496 21.695 -0.751 1.00 0.00 H new ATOM 0 HA THR A 35 11.234 18.834 -0.273 1.00 0.00 H new ATOM 0 HB THR A 35 9.743 18.819 -2.154 1.00 0.00 H new ATOM 0 HG1 THR A 35 10.257 21.637 -2.366 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.908 20.289 -1.357 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.706 19.403 -0.035 1.00 0.00 H new ATOM 0 HG23 THR A 35 9.068 21.125 -0.298 1.00 0.00 H new ATOM 558 N LEU A 36 12.298 17.921 -2.463 1.00 0.00 N ATOM 559 CA LEU A 36 13.003 17.343 -3.617 1.00 0.00 C ATOM 560 C LEU A 36 12.801 18.144 -4.922 1.00 0.00 C ATOM 561 O LEU A 36 13.695 18.180 -5.770 1.00 0.00 O ATOM 562 CB LEU A 36 12.503 15.887 -3.735 1.00 0.00 C ATOM 563 CG LEU A 36 12.899 15.125 -5.017 1.00 0.00 C ATOM 564 CD1 LEU A 36 13.116 13.643 -4.711 1.00 0.00 C ATOM 565 CD2 LEU A 36 11.784 15.196 -6.070 1.00 0.00 C ATOM 0 H LEU A 36 11.710 17.236 -1.988 1.00 0.00 H new ATOM 0 HA LEU A 36 14.081 17.379 -3.459 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.876 15.328 -2.877 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.415 15.893 -3.664 1.00 0.00 H new ATOM 0 HG LEU A 36 13.811 15.591 -5.391 1.00 0.00 H new ATOM 0 HD11 LEU A 36 13.395 13.120 -5.626 1.00 0.00 H new ATOM 0 HD12 LEU A 36 13.913 13.536 -3.975 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.196 13.215 -4.314 1.00 0.00 H new ATOM 0 HD21 LEU A 36 12.091 14.650 -6.962 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.874 14.750 -5.667 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.594 16.238 -6.329 1.00 0.00 H new ATOM 577 N PHE A 37 11.660 18.820 -5.066 1.00 0.00 N ATOM 578 CA PHE A 37 11.323 19.688 -6.204 1.00 0.00 C ATOM 579 C PHE A 37 12.001 21.074 -6.156 1.00 0.00 C ATOM 580 O PHE A 37 11.696 21.938 -6.974 1.00 0.00 O ATOM 581 CB PHE A 37 9.792 19.814 -6.271 1.00 0.00 C ATOM 582 CG PHE A 37 9.047 18.498 -6.165 1.00 0.00 C ATOM 583 CD1 PHE A 37 8.319 18.188 -5.000 1.00 0.00 C ATOM 584 CD2 PHE A 37 9.104 17.564 -7.218 1.00 0.00 C ATOM 585 CE1 PHE A 37 7.651 16.961 -4.891 1.00 0.00 C ATOM 586 CE2 PHE A 37 8.435 16.334 -7.113 1.00 0.00 C ATOM 587 CZ PHE A 37 7.708 16.034 -5.948 1.00 0.00 C ATOM 0 H PHE A 37 10.916 18.779 -4.370 1.00 0.00 H new ATOM 0 HA PHE A 37 11.713 19.224 -7.110 1.00 0.00 H new ATOM 0 HB2 PHE A 37 9.459 20.471 -5.468 1.00 0.00 H new ATOM 0 HB3 PHE A 37 9.521 20.296 -7.210 1.00 0.00 H new ATOM 0 HD1 PHE A 37 8.275 18.898 -4.188 1.00 0.00 H new ATOM 0 HD2 PHE A 37 9.665 17.795 -8.111 1.00 0.00 H new ATOM 0 HE1 PHE A 37 7.093 16.727 -3.996 1.00 0.00 H new ATOM 0 HE2 PHE A 37 8.479 15.622 -7.924 1.00 0.00 H new ATOM 0 HZ PHE A 37 7.192 15.089 -5.864 1.00 0.00 H new ATOM 597 N ASP A 38 12.892 21.306 -5.181 1.00 0.00 N ATOM 598 CA ASP A 38 13.562 22.565 -4.816 1.00 0.00 C ATOM 599 C ASP A 38 12.615 23.727 -4.418 1.00 0.00 C ATOM 600 O ASP A 38 13.058 24.861 -4.226 1.00 0.00 O ATOM 601 CB ASP A 38 14.696 22.940 -5.795 1.00 0.00 C ATOM 602 CG ASP A 38 14.264 23.425 -7.193 1.00 0.00 C ATOM 603 OD1 ASP A 38 13.582 24.475 -7.307 1.00 0.00 O ATOM 604 OD2 ASP A 38 14.687 22.801 -8.199 1.00 0.00 O1- ATOM 0 H ASP A 38 13.191 20.546 -4.570 1.00 0.00 H new ATOM 0 HA ASP A 38 14.063 22.358 -3.870 1.00 0.00 H new ATOM 0 HB2 ASP A 38 15.300 23.721 -5.334 1.00 0.00 H new ATOM 0 HB3 ASP A 38 15.341 22.070 -5.920 1.00 0.00 H new ATOM 609 N GLU A 39 11.327 23.436 -4.224 1.00 0.00 N ATOM 610 CA GLU A 39 10.342 24.351 -3.647 1.00 0.00 C ATOM 611 C GLU A 39 10.455 24.394 -2.109 1.00 0.00 C ATOM 612 O GLU A 39 10.739 23.379 -1.461 1.00 0.00 O ATOM 613 CB GLU A 39 8.935 23.948 -4.127 1.00 0.00 C ATOM 614 CG GLU A 39 7.868 24.979 -3.732 1.00 0.00 C ATOM 615 CD GLU A 39 6.504 24.647 -4.362 1.00 0.00 C ATOM 616 OE1 GLU A 39 6.118 25.306 -5.357 1.00 0.00 O ATOM 617 OE2 GLU A 39 5.801 23.738 -3.853 1.00 0.00 O1- ATOM 0 H GLU A 39 10.930 22.530 -4.472 1.00 0.00 H new ATOM 0 HA GLU A 39 10.539 25.366 -3.991 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.942 23.833 -5.211 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.673 22.978 -3.705 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.772 25.007 -2.647 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.185 25.972 -4.050 1.00 0.00 H new ATOM 624 N GLU A 40 10.213 25.568 -1.522 1.00 0.00 N ATOM 625 CA GLU A 40 10.246 25.815 -0.074 1.00 0.00 C ATOM 626 C GLU A 40 8.950 26.472 0.432 1.00 0.00 C ATOM 627 O GLU A 40 8.315 27.258 -0.281 1.00 0.00 O ATOM 628 CB GLU A 40 11.455 26.689 0.301 1.00 0.00 C ATOM 629 CG GLU A 40 12.798 25.997 0.021 1.00 0.00 C ATOM 630 CD GLU A 40 14.011 26.924 0.251 1.00 0.00 C ATOM 631 OE1 GLU A 40 14.027 27.723 1.225 1.00 0.00 O ATOM 632 OE2 GLU A 40 14.974 26.874 -0.557 1.00 0.00 O1- ATOM 0 H GLU A 40 9.980 26.404 -2.058 1.00 0.00 H new ATOM 0 HA GLU A 40 10.339 24.843 0.411 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.409 27.624 -0.258 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.397 26.947 1.359 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.890 25.121 0.663 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.810 25.641 -1.009 1.00 0.00 H new ATOM 639 N HIS A 41 8.577 26.173 1.680 1.00 0.00 N ATOM 640 CA HIS A 41 7.377 26.692 2.364 1.00 0.00 C ATOM 641 C HIS A 41 7.666 26.974 3.843 1.00 0.00 C ATOM 642 O HIS A 41 8.589 26.397 4.426 1.00 0.00 O ATOM 643 CB HIS A 41 6.202 25.704 2.224 1.00 0.00 C ATOM 644 CG HIS A 41 5.710 25.498 0.815 1.00 0.00 C ATOM 645 ND1 HIS A 41 4.859 26.370 0.120 1.00 0.00 N ATOM 646 CD2 HIS A 41 6.017 24.443 0.004 1.00 0.00 C ATOM 647 CE1 HIS A 41 4.672 25.816 -1.091 1.00 0.00 C ATOM 648 NE2 HIS A 41 5.354 24.662 -1.187 1.00 0.00 N ATOM 0 H HIS A 41 9.119 25.540 2.268 1.00 0.00 H new ATOM 0 HA HIS A 41 7.099 27.632 1.887 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.507 24.740 2.631 1.00 0.00 H new ATOM 0 HB3 HIS A 41 5.372 26.060 2.835 1.00 0.00 H new ATOM 0 HD2 HIS A 41 6.652 23.604 0.246 1.00 0.00 H new ATOM 0 HE1 HIS A 41 4.061 26.238 -1.875 1.00 0.00 H new ATOM 0 HE2 HIS A 41 5.378 24.050 -2.003 1.00 0.00 H new ATOM 656 N ALA A 42 6.852 27.837 4.457 1.00 0.00 N ATOM 657 CA ALA A 42 6.929 28.209 5.872 1.00 0.00 C ATOM 658 C ALA A 42 5.536 28.424 6.496 1.00 0.00 C ATOM 659 O ALA A 42 4.627 28.940 5.844 1.00 0.00 O ATOM 660 CB ALA A 42 7.815 29.456 6.021 1.00 0.00 C ATOM 0 H ALA A 42 6.095 28.312 3.965 1.00 0.00 H new ATOM 0 HA ALA A 42 7.379 27.383 6.422 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.875 29.736 7.073 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.815 29.239 5.646 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.384 30.279 5.450 1.00 0.00 H new ATOM 666 N PHE A 43 5.382 28.036 7.766 1.00 0.00 N ATOM 667 CA PHE A 43 4.106 27.926 8.485 1.00 0.00 C ATOM 668 C PHE A 43 4.222 28.501 9.914 1.00 0.00 C ATOM 669 O PHE A 43 4.666 27.792 10.827 1.00 0.00 O ATOM 670 CB PHE A 43 3.661 26.456 8.484 1.00 0.00 C ATOM 671 CG PHE A 43 3.510 25.858 7.099 1.00 0.00 C ATOM 672 CD1 PHE A 43 2.353 26.135 6.348 1.00 0.00 C ATOM 673 CD2 PHE A 43 4.542 25.076 6.541 1.00 0.00 C ATOM 674 CE1 PHE A 43 2.232 25.641 5.038 1.00 0.00 C ATOM 675 CE2 PHE A 43 4.418 24.585 5.231 1.00 0.00 C ATOM 676 CZ PHE A 43 3.266 24.871 4.479 1.00 0.00 C ATOM 0 H PHE A 43 6.179 27.778 8.348 1.00 0.00 H new ATOM 0 HA PHE A 43 3.345 28.520 7.979 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.386 25.867 9.046 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.709 26.375 9.009 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.558 26.727 6.778 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.426 24.855 7.120 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.344 25.853 4.461 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.208 23.987 4.801 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.175 24.498 3.469 1.00 0.00 H new ATOM 686 N PRO A 44 3.855 29.781 10.130 1.00 0.00 N ATOM 687 CA PRO A 44 3.934 30.441 11.432 1.00 0.00 C ATOM 688 C PRO A 44 3.062 29.804 12.519 1.00 0.00 C ATOM 689 O PRO A 44 1.969 29.297 12.252 1.00 0.00 O ATOM 690 CB PRO A 44 3.554 31.904 11.194 1.00 0.00 C ATOM 691 CG PRO A 44 3.914 32.116 9.724 1.00 0.00 C ATOM 692 CD PRO A 44 3.553 30.769 9.104 1.00 0.00 C ATOM 0 HA PRO A 44 4.946 30.338 11.823 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.495 32.082 11.380 1.00 0.00 H new ATOM 0 HB3 PRO A 44 4.110 32.577 11.847 1.00 0.00 H new ATOM 0 HG2 PRO A 44 3.346 32.933 9.280 1.00 0.00 H new ATOM 0 HG3 PRO A 44 4.970 32.354 9.594 1.00 0.00 H new ATOM 0 HD2 PRO A 44 2.500 30.735 8.823 1.00 0.00 H new ATOM 0 HD3 PRO A 44 4.131 30.585 8.198 1.00 0.00 H new ATOM 700 N GLY A 45 3.549 29.872 13.759 1.00 0.00 N ATOM 701 CA GLY A 45 2.858 29.398 14.965 1.00 0.00 C ATOM 702 C GLY A 45 2.985 27.890 15.229 1.00 0.00 C ATOM 703 O GLY A 45 2.376 27.391 16.178 1.00 0.00 O ATOM 0 H GLY A 45 4.466 30.271 13.961 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.250 29.938 15.827 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.801 29.651 14.884 1.00 0.00 H new ATOM 707 N LEU A 46 3.760 27.167 14.416 1.00 0.00 N ATOM 708 CA LEU A 46 4.010 25.727 14.569 1.00 0.00 C ATOM 709 C LEU A 46 5.392 25.408 15.166 1.00 0.00 C ATOM 710 O LEU A 46 6.315 26.224 15.127 1.00 0.00 O ATOM 711 CB LEU A 46 3.836 25.008 13.213 1.00 0.00 C ATOM 712 CG LEU A 46 2.458 25.155 12.539 1.00 0.00 C ATOM 713 CD1 LEU A 46 2.430 24.288 11.277 1.00 0.00 C ATOM 714 CD2 LEU A 46 1.292 24.701 13.426 1.00 0.00 C ATOM 0 H LEU A 46 4.243 27.573 13.615 1.00 0.00 H new ATOM 0 HA LEU A 46 3.272 25.359 15.282 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.595 25.382 12.526 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.035 23.946 13.360 1.00 0.00 H new ATOM 0 HG LEU A 46 2.330 26.216 12.327 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.459 24.384 10.791 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.212 24.616 10.593 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.599 23.246 11.548 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.353 24.832 12.888 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.419 23.649 13.683 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.274 25.298 14.338 1.00 0.00 H new ATOM 726 N ALA A 47 5.520 24.175 15.655 1.00 0.00 N ATOM 727 CA ALA A 47 6.753 23.479 16.016 1.00 0.00 C ATOM 728 C ALA A 47 6.669 21.997 15.578 1.00 0.00 C ATOM 729 O ALA A 47 5.574 21.455 15.376 1.00 0.00 O ATOM 730 CB ALA A 47 6.986 23.639 17.527 1.00 0.00 C ATOM 0 H ALA A 47 4.700 23.592 15.822 1.00 0.00 H new ATOM 0 HA ALA A 47 7.609 23.911 15.497 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.904 23.124 17.810 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.074 24.698 17.772 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.146 23.209 18.072 1.00 0.00 H new ATOM 736 N ILE A 48 7.811 21.327 15.410 1.00 0.00 N ATOM 737 CA ILE A 48 7.852 19.903 15.028 1.00 0.00 C ATOM 738 C ILE A 48 7.347 19.051 16.204 1.00 0.00 C ATOM 739 O ILE A 48 7.906 19.094 17.303 1.00 0.00 O ATOM 740 CB ILE A 48 9.261 19.487 14.541 1.00 0.00 C ATOM 741 CG1 ILE A 48 9.690 20.273 13.275 1.00 0.00 C ATOM 742 CG2 ILE A 48 9.301 17.976 14.239 1.00 0.00 C ATOM 743 CD1 ILE A 48 11.205 20.272 13.041 1.00 0.00 C ATOM 0 H ILE A 48 8.732 21.748 15.533 1.00 0.00 H new ATOM 0 HA ILE A 48 7.189 19.732 14.180 1.00 0.00 H new ATOM 0 HB ILE A 48 9.960 19.722 15.344 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.195 19.843 12.404 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.344 21.303 13.361 1.00 0.00 H new ATOM 0 HG21 ILE A 48 10.299 17.699 13.898 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.059 17.418 15.143 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.574 17.741 13.462 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.434 20.840 12.139 1.00 0.00 H new ATOM 0 HD12 ILE A 48 11.705 20.729 13.895 1.00 0.00 H new ATOM 0 HD13 ILE A 48 11.554 19.246 12.923 1.00 0.00 H new ATOM 755 N GLY A 49 6.253 18.317 15.989 1.00 0.00 N ATOM 756 CA GLY A 49 5.526 17.579 17.031 1.00 0.00 C ATOM 757 C GLY A 49 6.028 16.157 17.235 1.00 0.00 C ATOM 758 O GLY A 49 6.498 15.825 18.324 1.00 0.00 O ATOM 0 H GLY A 49 5.836 18.215 15.064 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.607 18.122 17.972 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.468 17.548 16.771 1.00 0.00 H new ATOM 762 N ARG A 50 5.945 15.321 16.189 1.00 0.00 N ATOM 763 CA ARG A 50 6.405 13.921 16.219 1.00 0.00 C ATOM 764 C ARG A 50 6.928 13.412 14.876 1.00 0.00 C ATOM 765 O ARG A 50 6.569 13.925 13.814 1.00 0.00 O ATOM 766 CB ARG A 50 5.324 12.992 16.818 1.00 0.00 C ATOM 767 CG ARG A 50 4.039 12.866 15.989 1.00 0.00 C ATOM 768 CD ARG A 50 3.049 11.869 16.607 1.00 0.00 C ATOM 769 NE ARG A 50 3.557 10.482 16.574 1.00 0.00 N ATOM 770 CZ ARG A 50 3.551 9.589 17.546 1.00 0.00 C ATOM 771 NH1 ARG A 50 3.055 9.833 18.729 1.00 0.00 N1+ ATOM 772 NH2 ARG A 50 4.037 8.399 17.347 1.00 0.00 N ATOM 0 H ARG A 50 5.553 15.599 15.289 1.00 0.00 H new ATOM 0 HA ARG A 50 7.271 13.900 16.881 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.753 11.998 16.947 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.063 13.358 17.811 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.564 13.844 15.906 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.290 12.547 14.978 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.845 12.155 17.639 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.102 11.920 16.069 1.00 0.00 H new ATOM 0 HE ARG A 50 3.963 10.176 15.690 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.649 10.746 18.933 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.073 9.110 19.449 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.425 8.152 16.437 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.030 7.713 18.101 1.00 0.00 H new ATOM 786 N VAL A 51 7.758 12.377 14.954 1.00 0.00 N ATOM 787 CA VAL A 51 8.420 11.689 13.834 1.00 0.00 C ATOM 788 C VAL A 51 8.162 10.184 13.951 1.00 0.00 C ATOM 789 O VAL A 51 8.433 9.585 14.995 1.00 0.00 O ATOM 790 CB VAL A 51 9.940 11.968 13.822 1.00 0.00 C ATOM 791 CG1 VAL A 51 10.579 11.441 12.531 1.00 0.00 C ATOM 792 CG2 VAL A 51 10.277 13.457 13.970 1.00 0.00 C ATOM 0 H VAL A 51 8.006 11.965 15.854 1.00 0.00 H new ATOM 0 HA VAL A 51 8.008 12.067 12.898 1.00 0.00 H new ATOM 0 HB VAL A 51 10.347 11.444 14.687 1.00 0.00 H new ATOM 0 HG11 VAL A 51 11.649 11.648 12.544 1.00 0.00 H new ATOM 0 HG12 VAL A 51 10.418 10.365 12.458 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.124 11.935 11.672 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.359 13.588 13.954 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.832 14.014 13.146 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.880 13.828 14.915 1.00 0.00 H new ATOM 802 N ASP A 52 7.664 9.564 12.878 1.00 0.00 N ATOM 803 CA ASP A 52 7.328 8.137 12.814 1.00 0.00 C ATOM 804 C ASP A 52 8.060 7.454 11.651 1.00 0.00 C ATOM 805 O ASP A 52 7.573 7.410 10.518 1.00 0.00 O ATOM 806 CB ASP A 52 5.802 7.958 12.709 1.00 0.00 C ATOM 807 CG ASP A 52 5.077 8.346 14.002 1.00 0.00 C ATOM 808 OD1 ASP A 52 4.660 9.518 14.164 1.00 0.00 O ATOM 809 OD2 ASP A 52 4.900 7.457 14.868 1.00 0.00 O1- ATOM 0 H ASP A 52 7.478 10.055 12.003 1.00 0.00 H new ATOM 0 HA ASP A 52 7.662 7.654 13.732 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.424 8.566 11.887 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.577 6.919 12.467 1.00 0.00 H new ATOM 814 N LEU A 53 9.242 6.889 11.921 1.00 0.00 N ATOM 815 CA LEU A 53 10.095 6.245 10.908 1.00 0.00 C ATOM 816 C LEU A 53 9.514 4.910 10.386 1.00 0.00 C ATOM 817 O LEU A 53 9.973 4.389 9.368 1.00 0.00 O ATOM 818 CB LEU A 53 11.530 6.065 11.435 1.00 0.00 C ATOM 819 CG LEU A 53 12.344 7.324 11.823 1.00 0.00 C ATOM 820 CD1 LEU A 53 12.218 8.441 10.787 1.00 0.00 C ATOM 821 CD2 LEU A 53 12.024 7.884 13.208 1.00 0.00 C ATOM 0 H LEU A 53 9.641 6.864 12.860 1.00 0.00 H new ATOM 0 HA LEU A 53 10.123 6.917 10.050 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.481 5.420 12.312 1.00 0.00 H new ATOM 0 HB3 LEU A 53 12.096 5.527 10.675 1.00 0.00 H new ATOM 0 HG LEU A 53 13.373 6.966 11.850 1.00 0.00 H new ATOM 0 HD11 LEU A 53 12.807 9.301 11.106 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.585 8.087 9.824 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.172 8.733 10.692 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.640 8.764 13.396 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.971 8.162 13.254 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.233 7.127 13.964 1.00 0.00 H new ATOM 833 N ARG A 54 8.459 4.400 11.036 1.00 0.00 N ATOM 834 CA ARG A 54 7.601 3.289 10.564 1.00 0.00 C ATOM 835 C ARG A 54 6.902 3.592 9.230 1.00 0.00 C ATOM 836 O ARG A 54 6.612 2.662 8.474 1.00 0.00 O ATOM 837 CB ARG A 54 6.542 2.983 11.637 1.00 0.00 C ATOM 838 CG ARG A 54 7.159 2.401 12.919 1.00 0.00 C ATOM 839 CD ARG A 54 6.115 2.212 14.022 1.00 0.00 C ATOM 840 NE ARG A 54 5.689 3.508 14.599 1.00 0.00 N ATOM 841 CZ ARG A 54 5.820 3.922 15.846 1.00 0.00 C ATOM 842 NH1 ARG A 54 5.422 5.100 16.203 1.00 0.00 N1+ ATOM 843 NH2 ARG A 54 6.339 3.203 16.805 1.00 0.00 N ATOM 0 H ARG A 54 8.162 4.761 11.943 1.00 0.00 H new ATOM 0 HA ARG A 54 8.249 2.429 10.394 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.000 3.897 11.880 1.00 0.00 H new ATOM 0 HB3 ARG A 54 5.814 2.278 11.235 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.626 1.442 12.694 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.947 3.064 13.275 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.248 1.691 13.617 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.527 1.581 14.809 1.00 0.00 H new ATOM 0 HE ARG A 54 5.240 4.159 13.955 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.999 5.725 15.517 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.531 5.404 17.171 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.673 2.259 16.611 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.410 3.585 17.748 1.00 0.00 H new ATOM 857 N SER A 55 6.655 4.877 8.937 1.00 0.00 N ATOM 858 CA SER A 55 5.939 5.350 7.737 1.00 0.00 C ATOM 859 C SER A 55 6.608 6.549 7.042 1.00 0.00 C ATOM 860 O SER A 55 6.173 6.949 5.965 1.00 0.00 O ATOM 861 CB SER A 55 4.496 5.719 8.112 1.00 0.00 C ATOM 862 OG SER A 55 3.821 4.634 8.741 1.00 0.00 O ATOM 0 H SER A 55 6.955 5.640 9.544 1.00 0.00 H new ATOM 0 HA SER A 55 5.962 4.527 7.023 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.503 6.580 8.780 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.952 6.016 7.215 1.00 0.00 H new ATOM 0 HG SER A 55 2.907 4.905 8.967 1.00 0.00 H new ATOM 868 N GLY A 56 7.656 7.135 7.639 1.00 0.00 N ATOM 869 CA GLY A 56 8.340 8.334 7.125 1.00 0.00 C ATOM 870 C GLY A 56 7.533 9.628 7.280 1.00 0.00 C ATOM 871 O GLY A 56 7.764 10.586 6.535 1.00 0.00 O ATOM 0 H GLY A 56 8.060 6.784 8.507 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.292 8.447 7.644 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.568 8.185 6.070 1.00 0.00 H new ATOM 875 N VAL A 57 6.564 9.667 8.204 1.00 0.00 N ATOM 876 CA VAL A 57 5.677 10.822 8.443 1.00 0.00 C ATOM 877 C VAL A 57 6.190 11.686 9.603 1.00 0.00 C ATOM 878 O VAL A 57 6.627 11.175 10.637 1.00 0.00 O ATOM 879 CB VAL A 57 4.209 10.394 8.663 1.00 0.00 C ATOM 880 CG1 VAL A 57 3.265 11.592 8.840 1.00 0.00 C ATOM 881 CG2 VAL A 57 3.677 9.607 7.460 1.00 0.00 C ATOM 0 H VAL A 57 6.367 8.880 8.822 1.00 0.00 H new ATOM 0 HA VAL A 57 5.695 11.431 7.540 1.00 0.00 H new ATOM 0 HB VAL A 57 4.222 9.787 9.569 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.247 11.234 8.991 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.577 12.176 9.706 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.301 12.218 7.949 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.642 9.319 7.643 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.728 10.229 6.567 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.282 8.712 7.314 1.00 0.00 H new ATOM 891 N ILE A 58 6.107 13.004 9.424 1.00 0.00 N ATOM 892 CA ILE A 58 6.411 14.058 10.397 1.00 0.00 C ATOM 893 C ILE A 58 5.140 14.878 10.640 1.00 0.00 C ATOM 894 O ILE A 58 4.591 15.470 9.713 1.00 0.00 O ATOM 895 CB ILE A 58 7.572 14.926 9.861 1.00 0.00 C ATOM 896 CG1 ILE A 58 8.880 14.101 9.919 1.00 0.00 C ATOM 897 CG2 ILE A 58 7.699 16.261 10.621 1.00 0.00 C ATOM 898 CD1 ILE A 58 10.102 14.808 9.321 1.00 0.00 C ATOM 0 H ILE A 58 5.804 13.393 8.531 1.00 0.00 H new ATOM 0 HA ILE A 58 6.731 13.635 11.349 1.00 0.00 H new ATOM 0 HB ILE A 58 7.364 15.196 8.826 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.092 13.852 10.959 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.725 13.160 9.391 1.00 0.00 H new ATOM 0 HG21 ILE A 58 8.528 16.837 10.209 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.775 16.829 10.515 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.884 16.063 11.677 1.00 0.00 H new ATOM 0 HD11 ILE A 58 10.974 14.159 9.403 1.00 0.00 H new ATOM 0 HD12 ILE A 58 9.915 15.033 8.271 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.287 15.735 9.863 1.00 0.00 H new ATOM 910 N SER A 59 4.661 14.913 11.881 1.00 0.00 N ATOM 911 CA SER A 59 3.481 15.690 12.284 1.00 0.00 C ATOM 912 C SER A 59 3.877 16.976 13.007 1.00 0.00 C ATOM 913 O SER A 59 4.692 16.945 13.936 1.00 0.00 O ATOM 914 CB SER A 59 2.568 14.839 13.164 1.00 0.00 C ATOM 915 OG SER A 59 1.327 15.489 13.360 1.00 0.00 O ATOM 0 H SER A 59 5.085 14.396 12.651 1.00 0.00 H new ATOM 0 HA SER A 59 2.940 15.974 11.381 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.407 13.867 12.699 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.046 14.657 14.126 1.00 0.00 H new ATOM 0 HG SER A 59 0.751 14.932 13.924 1.00 0.00 H new ATOM 921 N LEU A 60 3.311 18.111 12.587 1.00 0.00 N ATOM 922 CA LEU A 60 3.504 19.424 13.203 1.00 0.00 C ATOM 923 C LEU A 60 2.343 19.784 14.145 1.00 0.00 C ATOM 924 O LEU A 60 1.190 19.414 13.914 1.00 0.00 O ATOM 925 CB LEU A 60 3.681 20.500 12.126 1.00 0.00 C ATOM 926 CG LEU A 60 4.711 20.183 11.020 1.00 0.00 C ATOM 927 CD1 LEU A 60 4.853 21.410 10.121 1.00 0.00 C ATOM 928 CD2 LEU A 60 6.094 19.829 11.579 1.00 0.00 C ATOM 0 H LEU A 60 2.685 18.141 11.782 1.00 0.00 H new ATOM 0 HA LEU A 60 4.412 19.378 13.805 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.714 20.678 11.655 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.974 21.430 12.613 1.00 0.00 H new ATOM 0 HG LEU A 60 4.345 19.316 10.471 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.578 21.202 9.334 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.888 21.646 9.673 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.195 22.258 10.714 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.776 19.616 10.756 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.477 20.668 12.160 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.014 18.951 12.220 1.00 0.00 H new ATOM 940 N ILE A 61 2.660 20.550 15.189 1.00 0.00 N ATOM 941 CA ILE A 61 1.733 21.003 16.248 1.00 0.00 C ATOM 942 C ILE A 61 1.945 22.490 16.551 1.00 0.00 C ATOM 943 O ILE A 61 2.962 23.066 16.170 1.00 0.00 O ATOM 944 CB ILE A 61 1.851 20.117 17.512 1.00 0.00 C ATOM 945 CG1 ILE A 61 3.277 19.968 18.105 1.00 0.00 C ATOM 946 CG2 ILE A 61 1.285 18.712 17.226 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.744 21.128 18.988 1.00 0.00 C ATOM 0 H ILE A 61 3.610 20.891 15.334 1.00 0.00 H new ATOM 0 HA ILE A 61 0.711 20.892 15.886 1.00 0.00 H new ATOM 0 HB ILE A 61 1.271 20.647 18.267 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.315 19.049 18.691 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.984 19.851 17.283 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.372 18.096 18.121 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.236 18.793 16.942 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.846 18.252 16.413 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.751 20.926 19.352 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.746 22.050 18.406 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.067 21.236 19.836 1.00 0.00 H new ATOM 959 N GLU A 62 0.986 23.134 17.216 1.00 0.00 N ATOM 960 CA GLU A 62 1.099 24.538 17.637 1.00 0.00 C ATOM 961 C GLU A 62 2.233 24.715 18.667 1.00 0.00 C ATOM 962 O GLU A 62 2.369 23.927 19.604 1.00 0.00 O ATOM 963 CB GLU A 62 -0.228 25.042 18.224 1.00 0.00 C ATOM 964 CG GLU A 62 -1.429 24.922 17.267 1.00 0.00 C ATOM 965 CD GLU A 62 -2.236 23.608 17.419 1.00 0.00 C ATOM 966 OE1 GLU A 62 -3.451 23.615 17.105 1.00 0.00 O ATOM 967 OE2 GLU A 62 -1.685 22.557 17.835 1.00 0.00 O1- ATOM 0 H GLU A 62 0.103 22.698 17.481 1.00 0.00 H new ATOM 0 HA GLU A 62 1.337 25.131 16.754 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.446 24.482 19.134 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.111 26.087 18.513 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.097 25.767 17.434 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.070 24.998 16.241 1.00 0.00 H new ATOM 974 N GLU A 63 3.035 25.775 18.532 1.00 0.00 N ATOM 975 CA GLU A 63 4.213 26.021 19.390 1.00 0.00 C ATOM 976 C GLU A 63 3.869 26.405 20.846 1.00 0.00 C ATOM 977 O GLU A 63 4.743 26.381 21.715 1.00 0.00 O ATOM 978 CB GLU A 63 5.150 27.039 18.706 1.00 0.00 C ATOM 979 CG GLU A 63 4.605 28.470 18.580 1.00 0.00 C ATOM 980 CD GLU A 63 4.890 29.362 19.799 1.00 0.00 C ATOM 981 OE1 GLU A 63 3.933 29.929 20.373 1.00 0.00 O ATOM 982 OE2 GLU A 63 6.077 29.527 20.174 1.00 0.00 O1- ATOM 0 H GLU A 63 2.890 26.494 17.823 1.00 0.00 H new ATOM 0 HA GLU A 63 4.741 25.073 19.494 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.086 27.075 19.264 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.388 26.672 17.708 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.038 28.935 17.694 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.528 28.424 18.421 1.00 0.00 H new ATOM 1115 N MET B 3 17.194 3.809 10.498 1.00 0.00 N ATOM 1116 CA MET B 3 15.949 4.544 10.232 1.00 0.00 C ATOM 1117 C MET B 3 16.029 6.034 10.614 1.00 0.00 C ATOM 1118 O MET B 3 15.651 6.892 9.808 1.00 0.00 O ATOM 1119 CB MET B 3 14.777 3.865 10.973 1.00 0.00 C ATOM 1120 CG MET B 3 14.028 2.874 10.076 1.00 0.00 C ATOM 1121 SD MET B 3 14.986 1.481 9.408 1.00 0.00 S ATOM 1122 CE MET B 3 15.274 0.546 10.936 1.00 0.00 C ATOM 0 HA MET B 3 15.783 4.511 9.155 1.00 0.00 H new ATOM 0 HB2 MET B 3 15.157 3.343 11.851 1.00 0.00 H new ATOM 0 HB3 MET B 3 14.084 4.627 11.330 1.00 0.00 H new ATOM 0 HG2 MET B 3 13.191 2.468 10.644 1.00 0.00 H new ATOM 0 HG3 MET B 3 13.606 3.428 9.238 1.00 0.00 H new ATOM 0 HE1 MET B 3 15.791 -0.384 10.701 1.00 0.00 H new ATOM 0 HE2 MET B 3 15.885 1.139 11.616 1.00 0.00 H new ATOM 0 HE3 MET B 3 14.319 0.320 11.410 1.00 0.00 H new ATOM 1132 N ALA B 4 16.561 6.349 11.797 1.00 0.00 N ATOM 1133 CA ALA B 4 16.980 7.692 12.197 1.00 0.00 C ATOM 1134 C ALA B 4 18.014 7.640 13.333 1.00 0.00 C ATOM 1135 O ALA B 4 18.158 6.618 14.019 1.00 0.00 O ATOM 1136 CB ALA B 4 15.751 8.522 12.602 1.00 0.00 C ATOM 0 H ALA B 4 16.717 5.653 12.526 1.00 0.00 H new ATOM 0 HA ALA B 4 17.462 8.173 11.346 1.00 0.00 H new ATOM 0 HB1 ALA B 4 16.069 9.521 12.899 1.00 0.00 H new ATOM 0 HB2 ALA B 4 15.067 8.595 11.757 1.00 0.00 H new ATOM 0 HB3 ALA B 4 15.245 8.039 13.438 1.00 0.00 H new ATOM 1142 N LYS B 5 18.685 8.776 13.567 1.00 0.00 N ATOM 1143 CA LYS B 5 19.541 9.010 14.736 1.00 0.00 C ATOM 1144 C LYS B 5 19.277 10.378 15.369 1.00 0.00 C ATOM 1145 O LYS B 5 19.175 11.387 14.672 1.00 0.00 O ATOM 1146 CB LYS B 5 21.020 8.764 14.399 1.00 0.00 C ATOM 1147 CG LYS B 5 21.585 9.625 13.253 1.00 0.00 C ATOM 1148 CD LYS B 5 23.066 9.289 13.036 1.00 0.00 C ATOM 1149 CE LYS B 5 23.725 10.096 11.908 1.00 0.00 C ATOM 1150 NZ LYS B 5 23.280 9.665 10.559 1.00 0.00 N1+ ATOM 0 H LYS B 5 18.646 9.575 12.934 1.00 0.00 H new ATOM 0 HA LYS B 5 19.278 8.280 15.501 1.00 0.00 H new ATOM 0 HB2 LYS B 5 21.615 8.944 15.294 1.00 0.00 H new ATOM 0 HB3 LYS B 5 21.147 7.713 14.139 1.00 0.00 H new ATOM 0 HG2 LYS B 5 21.023 9.443 12.337 1.00 0.00 H new ATOM 0 HG3 LYS B 5 21.473 10.683 13.491 1.00 0.00 H new ATOM 0 HD2 LYS B 5 23.609 9.468 13.964 1.00 0.00 H new ATOM 0 HD3 LYS B 5 23.159 8.226 12.812 1.00 0.00 H new ATOM 0 HE2 LYS B 5 23.495 11.153 12.041 1.00 0.00 H new ATOM 0 HE3 LYS B 5 24.808 9.994 11.979 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 24.092 9.666 9.909 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 22.883 8.706 10.615 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 22.553 10.321 10.207 1.00 0.00 H new ATOM 1164 N VAL B 6 19.144 10.399 16.696 1.00 0.00 N ATOM 1165 CA VAL B 6 18.867 11.605 17.499 1.00 0.00 C ATOM 1166 C VAL B 6 20.155 12.156 18.104 1.00 0.00 C ATOM 1167 O VAL B 6 21.037 11.390 18.492 1.00 0.00 O ATOM 1168 CB VAL B 6 17.793 11.312 18.570 1.00 0.00 C ATOM 1169 CG1 VAL B 6 17.637 12.413 19.625 1.00 0.00 C ATOM 1170 CG2 VAL B 6 16.415 11.132 17.921 1.00 0.00 C ATOM 0 H VAL B 6 19.227 9.556 17.264 1.00 0.00 H new ATOM 0 HA VAL B 6 18.464 12.379 16.846 1.00 0.00 H new ATOM 0 HB VAL B 6 18.143 10.404 19.062 1.00 0.00 H new ATOM 0 HG11 VAL B 6 16.863 12.127 20.338 1.00 0.00 H new ATOM 0 HG12 VAL B 6 18.582 12.550 20.151 1.00 0.00 H new ATOM 0 HG13 VAL B 6 17.355 13.346 19.138 1.00 0.00 H new ATOM 0 HG21 VAL B 6 15.673 10.927 18.693 1.00 0.00 H new ATOM 0 HG22 VAL B 6 16.142 12.043 17.389 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.449 10.298 17.220 1.00 0.00 H new ATOM 1180 N VAL B 7 20.258 13.482 18.231 1.00 0.00 N ATOM 1181 CA VAL B 7 21.360 14.191 18.900 1.00 0.00 C ATOM 1182 C VAL B 7 20.843 15.363 19.756 1.00 0.00 C ATOM 1183 O VAL B 7 19.921 16.077 19.353 1.00 0.00 O ATOM 1184 CB VAL B 7 22.441 14.618 17.882 1.00 0.00 C ATOM 1185 CG1 VAL B 7 21.922 15.562 16.784 1.00 0.00 C ATOM 1186 CG2 VAL B 7 23.637 15.291 18.572 1.00 0.00 C ATOM 0 H VAL B 7 19.552 14.117 17.858 1.00 0.00 H new ATOM 0 HA VAL B 7 21.839 13.500 19.594 1.00 0.00 H new ATOM 0 HB VAL B 7 22.751 13.687 17.408 1.00 0.00 H new ATOM 0 HG11 VAL B 7 22.738 15.817 16.108 1.00 0.00 H new ATOM 0 HG12 VAL B 7 21.128 15.067 16.224 1.00 0.00 H new ATOM 0 HG13 VAL B 7 21.531 16.471 17.241 1.00 0.00 H new ATOM 0 HG21 VAL B 7 24.376 15.577 17.823 1.00 0.00 H new ATOM 0 HG22 VAL B 7 23.297 16.180 19.104 1.00 0.00 H new ATOM 0 HG23 VAL B 7 24.088 14.595 19.279 1.00 0.00 H new ATOM 1196 N LEU B 8 21.449 15.564 20.935 1.00 0.00 N ATOM 1197 CA LEU B 8 21.153 16.662 21.869 1.00 0.00 C ATOM 1198 C LEU B 8 22.395 17.103 22.663 1.00 0.00 C ATOM 1199 O LEU B 8 23.379 16.363 22.770 1.00 0.00 O ATOM 1200 CB LEU B 8 19.938 16.304 22.774 1.00 0.00 C ATOM 1201 CG LEU B 8 20.006 15.188 23.843 1.00 0.00 C ATOM 1202 CD1 LEU B 8 20.323 13.825 23.250 1.00 0.00 C ATOM 1203 CD2 LEU B 8 20.901 15.527 25.039 1.00 0.00 C ATOM 0 H LEU B 8 22.184 14.946 21.277 1.00 0.00 H new ATOM 0 HA LEU B 8 20.865 17.535 21.283 1.00 0.00 H new ATOM 0 HB2 LEU B 8 19.655 17.219 23.294 1.00 0.00 H new ATOM 0 HB3 LEU B 8 19.115 16.049 22.107 1.00 0.00 H new ATOM 0 HG LEU B 8 18.996 15.126 24.248 1.00 0.00 H new ATOM 0 HD11 LEU B 8 20.358 13.081 24.046 1.00 0.00 H new ATOM 0 HD12 LEU B 8 19.550 13.552 22.532 1.00 0.00 H new ATOM 0 HD13 LEU B 8 21.289 13.863 22.746 1.00 0.00 H new ATOM 0 HD21 LEU B 8 20.897 14.696 25.744 1.00 0.00 H new ATOM 0 HD22 LEU B 8 21.919 15.704 24.693 1.00 0.00 H new ATOM 0 HD23 LEU B 8 20.525 16.423 25.533 1.00 0.00 H new ATOM 1215 N THR B 9 22.344 18.314 23.229 1.00 0.00 N ATOM 1216 CA THR B 9 23.397 18.900 24.084 1.00 0.00 C ATOM 1217 C THR B 9 22.896 19.094 25.517 1.00 0.00 C ATOM 1218 O THR B 9 21.799 19.621 25.738 1.00 0.00 O ATOM 1219 CB THR B 9 23.917 20.236 23.512 1.00 0.00 C ATOM 1220 OG1 THR B 9 24.268 20.098 22.148 1.00 0.00 O ATOM 1221 CG2 THR B 9 25.177 20.738 24.215 1.00 0.00 C ATOM 0 H THR B 9 21.546 18.937 23.104 1.00 0.00 H new ATOM 0 HA THR B 9 24.229 18.195 24.099 1.00 0.00 H new ATOM 0 HB THR B 9 23.099 20.941 23.660 1.00 0.00 H new ATOM 0 HG1 THR B 9 24.440 20.983 21.763 1.00 0.00 H new ATOM 0 HG21 THR B 9 25.492 21.680 23.767 1.00 0.00 H new ATOM 0 HG22 THR B 9 24.966 20.892 25.273 1.00 0.00 H new ATOM 0 HG23 THR B 9 25.972 20.001 24.107 1.00 0.00 H new ATOM 1229 N LYS B 10 23.689 18.651 26.499 1.00 0.00 N ATOM 1230 CA LYS B 10 23.420 18.755 27.943 1.00 0.00 C ATOM 1231 C LYS B 10 23.760 20.145 28.508 1.00 0.00 C ATOM 1232 O LYS B 10 24.528 20.904 27.914 1.00 0.00 O ATOM 1233 CB LYS B 10 24.257 17.699 28.679 1.00 0.00 C ATOM 1234 CG LYS B 10 23.900 16.240 28.360 1.00 0.00 C ATOM 1235 CD LYS B 10 24.685 15.279 29.271 1.00 0.00 C ATOM 1236 CE LYS B 10 26.184 15.247 28.938 1.00 0.00 C ATOM 1237 NZ LYS B 10 27.009 14.925 30.127 1.00 0.00 N1+ ATOM 0 H LYS B 10 24.577 18.189 26.303 1.00 0.00 H new ATOM 0 HA LYS B 10 22.353 18.592 28.094 1.00 0.00 H new ATOM 0 HB2 LYS B 10 25.308 17.860 28.438 1.00 0.00 H new ATOM 0 HB3 LYS B 10 24.148 17.856 29.752 1.00 0.00 H new ATOM 0 HG2 LYS B 10 22.830 16.084 28.494 1.00 0.00 H new ATOM 0 HG3 LYS B 10 24.125 16.025 27.315 1.00 0.00 H new ATOM 0 HD2 LYS B 10 24.553 15.580 30.310 1.00 0.00 H new ATOM 0 HD3 LYS B 10 24.273 14.274 29.175 1.00 0.00 H new ATOM 0 HE2 LYS B 10 26.367 14.507 28.159 1.00 0.00 H new ATOM 0 HE3 LYS B 10 26.487 16.214 28.537 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 28.005 14.830 29.843 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 26.920 15.688 30.828 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 26.681 14.031 30.545 1.00 0.00 H new ATOM 1251 N ALA B 11 23.254 20.443 29.707 1.00 0.00 N ATOM 1252 CA ALA B 11 23.539 21.682 30.440 1.00 0.00 C ATOM 1253 C ALA B 11 25.020 21.830 30.857 1.00 0.00 C ATOM 1254 O ALA B 11 25.510 22.952 31.006 1.00 0.00 O ATOM 1255 CB ALA B 11 22.624 21.725 31.666 1.00 0.00 C ATOM 0 H ALA B 11 22.622 19.818 30.207 1.00 0.00 H new ATOM 0 HA ALA B 11 23.345 22.522 29.773 1.00 0.00 H new ATOM 0 HB1 ALA B 11 22.815 22.638 32.231 1.00 0.00 H new ATOM 0 HB2 ALA B 11 21.583 21.709 31.344 1.00 0.00 H new ATOM 0 HB3 ALA B 11 22.822 20.859 32.298 1.00 0.00 H new ATOM 1261 N ASP B 12 25.753 20.718 31.016 1.00 0.00 N ATOM 1262 CA ASP B 12 27.203 20.698 31.294 1.00 0.00 C ATOM 1263 C ASP B 12 28.092 20.932 30.050 1.00 0.00 C ATOM 1264 O ASP B 12 29.321 20.952 30.167 1.00 0.00 O ATOM 1265 CB ASP B 12 27.562 19.395 32.032 1.00 0.00 C ATOM 1266 CG ASP B 12 27.390 18.100 31.232 1.00 0.00 C ATOM 1267 OD1 ASP B 12 27.420 17.013 31.858 1.00 0.00 O ATOM 1268 OD2 ASP B 12 27.242 18.135 29.989 1.00 0.00 O1- ATOM 0 H ASP B 12 25.348 19.784 30.954 1.00 0.00 H new ATOM 0 HA ASP B 12 27.421 21.551 31.937 1.00 0.00 H new ATOM 0 HB2 ASP B 12 28.599 19.461 32.360 1.00 0.00 H new ATOM 0 HB3 ASP B 12 26.947 19.328 32.930 1.00 0.00 H new ATOM 1273 N GLY B 13 27.489 21.125 28.868 1.00 0.00 N ATOM 1274 CA GLY B 13 28.169 21.327 27.579 1.00 0.00 C ATOM 1275 C GLY B 13 28.571 20.037 26.842 1.00 0.00 C ATOM 1276 O GLY B 13 29.027 20.111 25.696 1.00 0.00 O ATOM 0 H GLY B 13 26.473 21.146 28.780 1.00 0.00 H new ATOM 0 HA2 GLY B 13 27.516 21.910 26.929 1.00 0.00 H new ATOM 0 HA3 GLY B 13 29.065 21.924 27.749 1.00 0.00 H new ATOM 1280 N GLY B 14 28.385 18.855 27.443 1.00 0.00 N ATOM 1281 CA GLY B 14 28.552 17.555 26.785 1.00 0.00 C ATOM 1282 C GLY B 14 27.389 17.213 25.845 1.00 0.00 C ATOM 1283 O GLY B 14 26.336 17.857 25.875 1.00 0.00 O ATOM 0 H GLY B 14 28.108 18.775 28.421 1.00 0.00 H new ATOM 0 HA2 GLY B 14 29.483 17.556 26.219 1.00 0.00 H new ATOM 0 HA3 GLY B 14 28.641 16.777 27.544 1.00 0.00 H new ATOM 1287 N ARG B 15 27.556 16.178 25.011 1.00 0.00 N ATOM 1288 CA ARG B 15 26.566 15.745 23.998 1.00 0.00 C ATOM 1289 C ARG B 15 26.218 14.262 24.092 1.00 0.00 C ATOM 1290 O ARG B 15 27.023 13.445 24.539 1.00 0.00 O ATOM 1291 CB ARG B 15 27.031 16.149 22.584 1.00 0.00 C ATOM 1292 CG ARG B 15 26.842 17.658 22.381 1.00 0.00 C ATOM 1293 CD ARG B 15 27.234 18.138 20.986 1.00 0.00 C ATOM 1294 NE ARG B 15 26.780 19.527 20.809 1.00 0.00 N ATOM 1295 CZ ARG B 15 27.330 20.502 20.110 1.00 0.00 C ATOM 1296 NH1 ARG B 15 28.409 20.328 19.398 1.00 0.00 N1+ ATOM 1297 NH2 ARG B 15 26.787 21.684 20.115 1.00 0.00 N ATOM 0 H ARG B 15 28.398 15.602 25.016 1.00 0.00 H new ATOM 0 HA ARG B 15 25.635 16.269 24.213 1.00 0.00 H new ATOM 0 HB2 ARG B 15 28.079 15.884 22.447 1.00 0.00 H new ATOM 0 HB3 ARG B 15 26.463 15.599 21.834 1.00 0.00 H new ATOM 0 HG2 ARG B 15 25.798 17.913 22.565 1.00 0.00 H new ATOM 0 HG3 ARG B 15 27.436 18.194 23.121 1.00 0.00 H new ATOM 0 HD2 ARG B 15 28.315 18.076 20.857 1.00 0.00 H new ATOM 0 HD3 ARG B 15 26.785 17.496 20.228 1.00 0.00 H new ATOM 0 HE ARG B 15 25.917 19.771 21.296 1.00 0.00 H new ATOM 0 HH11 ARG B 15 28.858 19.413 19.368 1.00 0.00 H new ATOM 0 HH12 ARG B 15 28.804 21.107 18.871 1.00 0.00 H new ATOM 0 HH21 ARG B 15 25.940 21.854 20.657 1.00 0.00 H new ATOM 0 HH22 ARG B 15 27.208 22.441 19.576 1.00 0.00 H new ATOM 1311 N VAL B 16 24.997 13.933 23.667 1.00 0.00 N ATOM 1312 CA VAL B 16 24.375 12.600 23.722 1.00 0.00 C ATOM 1313 C VAL B 16 23.822 12.246 22.334 1.00 0.00 C ATOM 1314 O VAL B 16 23.375 13.130 21.597 1.00 0.00 O ATOM 1315 CB VAL B 16 23.279 12.579 24.815 1.00 0.00 C ATOM 1316 CG1 VAL B 16 22.332 11.374 24.770 1.00 0.00 C ATOM 1317 CG2 VAL B 16 23.888 12.656 26.218 1.00 0.00 C ATOM 0 H VAL B 16 24.376 14.627 23.250 1.00 0.00 H new ATOM 0 HA VAL B 16 25.113 11.844 23.991 1.00 0.00 H new ATOM 0 HB VAL B 16 22.681 13.463 24.594 1.00 0.00 H new ATOM 0 HG11 VAL B 16 21.603 11.454 25.576 1.00 0.00 H new ATOM 0 HG12 VAL B 16 21.813 11.355 23.812 1.00 0.00 H new ATOM 0 HG13 VAL B 16 22.906 10.455 24.890 1.00 0.00 H new ATOM 0 HG21 VAL B 16 23.091 12.639 26.962 1.00 0.00 H new ATOM 0 HG22 VAL B 16 24.549 11.804 26.375 1.00 0.00 H new ATOM 0 HG23 VAL B 16 24.458 13.580 26.317 1.00 0.00 H new ATOM 1327 N GLU B 17 23.840 10.961 21.971 1.00 0.00 N ATOM 1328 CA GLU B 17 23.308 10.445 20.699 1.00 0.00 C ATOM 1329 C GLU B 17 22.562 9.115 20.883 1.00 0.00 C ATOM 1330 O GLU B 17 22.928 8.305 21.744 1.00 0.00 O ATOM 1331 CB GLU B 17 24.441 10.261 19.663 1.00 0.00 C ATOM 1332 CG GLU B 17 25.121 11.576 19.250 1.00 0.00 C ATOM 1333 CD GLU B 17 26.148 11.392 18.112 1.00 0.00 C ATOM 1334 OE1 GLU B 17 26.450 12.391 17.415 1.00 0.00 O ATOM 1335 OE2 GLU B 17 26.690 10.272 17.919 1.00 0.00 O1- ATOM 0 H GLU B 17 24.233 10.230 22.564 1.00 0.00 H new ATOM 0 HA GLU B 17 22.597 11.186 20.333 1.00 0.00 H new ATOM 0 HB2 GLU B 17 25.192 9.588 20.076 1.00 0.00 H new ATOM 0 HB3 GLU B 17 24.034 9.778 18.775 1.00 0.00 H new ATOM 0 HG2 GLU B 17 24.359 12.289 18.933 1.00 0.00 H new ATOM 0 HG3 GLU B 17 25.621 12.008 20.117 1.00 0.00 H new ATOM 1342 N ILE B 18 21.534 8.871 20.056 1.00 0.00 N ATOM 1343 CA ILE B 18 20.743 7.626 20.028 1.00 0.00 C ATOM 1344 C ILE B 18 20.601 7.141 18.577 1.00 0.00 C ATOM 1345 O ILE B 18 20.112 7.891 17.729 1.00 0.00 O ATOM 1346 CB ILE B 18 19.346 7.810 20.684 1.00 0.00 C ATOM 1347 CG1 ILE B 18 19.384 8.464 22.090 1.00 0.00 C ATOM 1348 CG2 ILE B 18 18.648 6.443 20.798 1.00 0.00 C ATOM 1349 CD1 ILE B 18 19.193 9.988 22.052 1.00 0.00 C ATOM 0 H ILE B 18 21.219 9.554 19.367 1.00 0.00 H new ATOM 0 HA ILE B 18 21.272 6.874 20.613 1.00 0.00 H new ATOM 0 HB ILE B 18 18.798 8.492 20.033 1.00 0.00 H new ATOM 0 HG12 ILE B 18 18.605 8.022 22.711 1.00 0.00 H new ATOM 0 HG13 ILE B 18 20.338 8.235 22.565 1.00 0.00 H new ATOM 0 HG21 ILE B 18 17.668 6.572 21.258 1.00 0.00 H new ATOM 0 HG22 ILE B 18 18.528 6.012 19.804 1.00 0.00 H new ATOM 0 HG23 ILE B 18 19.252 5.776 21.413 1.00 0.00 H new ATOM 0 HD11 ILE B 18 19.230 10.385 23.067 1.00 0.00 H new ATOM 0 HD12 ILE B 18 19.987 10.439 21.457 1.00 0.00 H new ATOM 0 HD13 ILE B 18 18.227 10.223 21.605 1.00 0.00 H new ATOM 1361 N GLY B 19 21.026 5.909 18.282 1.00 0.00 N ATOM 1362 CA GLY B 19 20.855 5.235 16.983 1.00 0.00 C ATOM 1363 C GLY B 19 19.680 4.243 16.958 1.00 0.00 C ATOM 1364 O GLY B 19 19.057 3.975 17.988 1.00 0.00 O ATOM 0 H GLY B 19 21.517 5.329 18.963 1.00 0.00 H new ATOM 0 HA2 GLY B 19 20.702 5.987 16.209 1.00 0.00 H new ATOM 0 HA3 GLY B 19 21.774 4.704 16.734 1.00 0.00 H new ATOM 1368 N ASP B 20 19.384 3.681 15.781 1.00 0.00 N ATOM 1369 CA ASP B 20 18.291 2.712 15.555 1.00 0.00 C ATOM 1370 C ASP B 20 16.902 3.243 15.987 1.00 0.00 C ATOM 1371 O ASP B 20 16.033 2.503 16.462 1.00 0.00 O ATOM 1372 CB ASP B 20 18.647 1.334 16.147 1.00 0.00 C ATOM 1373 CG ASP B 20 20.013 0.814 15.664 1.00 0.00 C ATOM 1374 OD1 ASP B 20 20.843 0.399 16.510 1.00 0.00 O ATOM 1375 OD2 ASP B 20 20.264 0.797 14.433 1.00 0.00 O1- ATOM 0 H ASP B 20 19.909 3.889 14.932 1.00 0.00 H new ATOM 0 HA ASP B 20 18.194 2.574 14.478 1.00 0.00 H new ATOM 0 HB2 ASP B 20 18.653 1.401 17.235 1.00 0.00 H new ATOM 0 HB3 ASP B 20 17.873 0.616 15.876 1.00 0.00 H new ATOM 1380 N VAL B 21 16.702 4.561 15.853 1.00 0.00 N ATOM 1381 CA VAL B 21 15.500 5.282 16.289 1.00 0.00 C ATOM 1382 C VAL B 21 14.315 4.978 15.367 1.00 0.00 C ATOM 1383 O VAL B 21 14.442 5.008 14.142 1.00 0.00 O ATOM 1384 CB VAL B 21 15.766 6.798 16.382 1.00 0.00 C ATOM 1385 CG1 VAL B 21 14.498 7.594 16.702 1.00 0.00 C ATOM 1386 CG2 VAL B 21 16.798 7.087 17.478 1.00 0.00 C ATOM 0 H VAL B 21 17.395 5.174 15.424 1.00 0.00 H new ATOM 0 HA VAL B 21 15.240 4.932 17.288 1.00 0.00 H new ATOM 0 HB VAL B 21 16.136 7.109 15.405 1.00 0.00 H new ATOM 0 HG11 VAL B 21 14.739 8.656 16.757 1.00 0.00 H new ATOM 0 HG12 VAL B 21 13.758 7.430 15.919 1.00 0.00 H new ATOM 0 HG13 VAL B 21 14.093 7.264 17.659 1.00 0.00 H new ATOM 0 HG21 VAL B 21 16.978 8.161 17.534 1.00 0.00 H new ATOM 0 HG22 VAL B 21 16.420 6.731 18.437 1.00 0.00 H new ATOM 0 HG23 VAL B 21 17.731 6.575 17.243 1.00 0.00 H new ATOM 1396 N LEU B 22 13.150 4.707 15.967 1.00 0.00 N ATOM 1397 CA LEU B 22 11.904 4.354 15.268 1.00 0.00 C ATOM 1398 C LEU B 22 10.767 5.369 15.504 1.00 0.00 C ATOM 1399 O LEU B 22 9.870 5.512 14.669 1.00 0.00 O ATOM 1400 CB LEU B 22 11.543 2.916 15.684 1.00 0.00 C ATOM 1401 CG LEU B 22 10.455 2.250 14.825 1.00 0.00 C ATOM 1402 CD1 LEU B 22 10.916 1.973 13.389 1.00 0.00 C ATOM 1403 CD2 LEU B 22 9.993 0.936 15.449 1.00 0.00 C ATOM 0 H LEU B 22 13.043 4.727 16.981 1.00 0.00 H new ATOM 0 HA LEU B 22 12.054 4.397 14.189 1.00 0.00 H new ATOM 0 HB2 LEU B 22 12.444 2.304 15.643 1.00 0.00 H new ATOM 0 HB3 LEU B 22 11.211 2.926 16.722 1.00 0.00 H new ATOM 0 HG LEU B 22 9.630 2.962 14.789 1.00 0.00 H new ATOM 0 HD11 LEU B 22 10.106 1.503 12.831 1.00 0.00 H new ATOM 0 HD12 LEU B 22 11.191 2.912 12.908 1.00 0.00 H new ATOM 0 HD13 LEU B 22 11.779 1.308 13.406 1.00 0.00 H new ATOM 0 HD21 LEU B 22 9.224 0.486 14.822 1.00 0.00 H new ATOM 0 HD22 LEU B 22 10.840 0.254 15.530 1.00 0.00 H new ATOM 0 HD23 LEU B 22 9.585 1.128 16.441 1.00 0.00 H new ATOM 1415 N GLU B 23 10.836 6.133 16.597 1.00 0.00 N ATOM 1416 CA GLU B 23 9.866 7.173 16.968 1.00 0.00 C ATOM 1417 C GLU B 23 10.523 8.281 17.816 1.00 0.00 C ATOM 1418 O GLU B 23 11.325 7.986 18.704 1.00 0.00 O ATOM 1419 CB GLU B 23 8.701 6.508 17.722 1.00 0.00 C ATOM 1420 CG GLU B 23 7.574 7.473 18.118 1.00 0.00 C ATOM 1421 CD GLU B 23 6.533 6.799 19.030 1.00 0.00 C ATOM 1422 OE1 GLU B 23 6.175 5.621 18.793 1.00 0.00 O ATOM 1423 OE2 GLU B 23 6.025 7.465 19.965 1.00 0.00 O1- ATOM 0 H GLU B 23 11.594 6.043 17.273 1.00 0.00 H new ATOM 0 HA GLU B 23 9.489 7.656 16.066 1.00 0.00 H new ATOM 0 HB2 GLU B 23 8.284 5.717 17.099 1.00 0.00 H new ATOM 0 HB3 GLU B 23 9.090 6.033 18.622 1.00 0.00 H new ATOM 0 HG2 GLU B 23 7.999 8.337 18.629 1.00 0.00 H new ATOM 0 HG3 GLU B 23 7.082 7.845 17.219 1.00 0.00 H new ATOM 1430 N VAL B 24 10.154 9.548 17.589 1.00 0.00 N ATOM 1431 CA VAL B 24 10.542 10.714 18.421 1.00 0.00 C ATOM 1432 C VAL B 24 9.367 11.689 18.530 1.00 0.00 C ATOM 1433 O VAL B 24 8.645 11.875 17.549 1.00 0.00 O ATOM 1434 CB VAL B 24 11.776 11.466 17.871 1.00 0.00 C ATOM 1435 CG1 VAL B 24 12.304 12.521 18.858 1.00 0.00 C ATOM 1436 CG2 VAL B 24 12.921 10.541 17.463 1.00 0.00 C ATOM 0 H VAL B 24 9.560 9.807 16.801 1.00 0.00 H new ATOM 0 HA VAL B 24 10.810 10.322 19.402 1.00 0.00 H new ATOM 0 HB VAL B 24 11.413 11.966 16.973 1.00 0.00 H new ATOM 0 HG11 VAL B 24 13.171 13.022 18.426 1.00 0.00 H new ATOM 0 HG12 VAL B 24 11.523 13.255 19.058 1.00 0.00 H new ATOM 0 HG13 VAL B 24 12.593 12.035 19.790 1.00 0.00 H new ATOM 0 HG21 VAL B 24 13.753 11.136 17.087 1.00 0.00 H new ATOM 0 HG22 VAL B 24 13.249 9.965 18.328 1.00 0.00 H new ATOM 0 HG23 VAL B 24 12.579 9.861 16.683 1.00 0.00 H new ATOM 1446 N ARG B 25 9.162 12.332 19.685 1.00 0.00 N ATOM 1447 CA ARG B 25 8.116 13.350 19.886 1.00 0.00 C ATOM 1448 C ARG B 25 8.452 14.376 20.964 1.00 0.00 C ATOM 1449 O ARG B 25 9.032 14.042 21.997 1.00 0.00 O ATOM 1450 CB ARG B 25 6.754 12.684 20.147 1.00 0.00 C ATOM 1451 CG ARG B 25 6.742 11.657 21.293 1.00 0.00 C ATOM 1452 CD ARG B 25 5.335 11.064 21.463 1.00 0.00 C ATOM 1453 NE ARG B 25 5.376 9.604 21.666 1.00 0.00 N ATOM 1454 CZ ARG B 25 4.990 8.894 22.706 1.00 0.00 C ATOM 1455 NH1 ARG B 25 4.499 9.400 23.803 1.00 0.00 N1+ ATOM 1456 NH2 ARG B 25 5.100 7.602 22.617 1.00 0.00 N ATOM 0 H ARG B 25 9.723 12.160 20.519 1.00 0.00 H new ATOM 0 HA ARG B 25 8.060 13.917 18.957 1.00 0.00 H new ATOM 0 HB2 ARG B 25 6.023 13.461 20.368 1.00 0.00 H new ATOM 0 HB3 ARG B 25 6.427 12.189 19.232 1.00 0.00 H new ATOM 0 HG2 ARG B 25 7.457 10.861 21.084 1.00 0.00 H new ATOM 0 HG3 ARG B 25 7.058 12.134 22.221 1.00 0.00 H new ATOM 0 HD2 ARG B 25 4.842 11.535 22.313 1.00 0.00 H new ATOM 0 HD3 ARG B 25 4.736 11.292 20.581 1.00 0.00 H new ATOM 0 HE ARG B 25 5.759 9.066 20.888 1.00 0.00 H new ATOM 0 HH11 ARG B 25 4.393 10.410 23.896 1.00 0.00 H new ATOM 0 HH12 ARG B 25 4.221 8.786 24.568 1.00 0.00 H new ATOM 0 HH21 ARG B 25 5.473 7.179 21.767 1.00 0.00 H new ATOM 0 HH22 ARG B 25 4.814 7.011 23.397 1.00 0.00 H new ATOM 1470 N ALA B 26 8.043 15.620 20.729 1.00 0.00 N ATOM 1471 CA ALA B 26 8.038 16.702 21.704 1.00 0.00 C ATOM 1472 C ALA B 26 6.718 16.651 22.489 1.00 0.00 C ATOM 1473 O ALA B 26 5.633 16.610 21.904 1.00 0.00 O ATOM 1474 CB ALA B 26 8.236 18.034 20.964 1.00 0.00 C ATOM 0 H ALA B 26 7.692 15.911 19.817 1.00 0.00 H new ATOM 0 HA ALA B 26 8.852 16.600 22.421 1.00 0.00 H new ATOM 0 HB1 ALA B 26 8.234 18.853 21.683 1.00 0.00 H new ATOM 0 HB2 ALA B 26 9.189 18.018 20.434 1.00 0.00 H new ATOM 0 HB3 ALA B 26 7.426 18.177 20.249 1.00 0.00 H new ATOM 1509 N ALA B 30 9.221 18.509 27.149 1.00 0.00 N ATOM 1510 CA ALA B 30 10.360 17.596 27.014 1.00 0.00 C ATOM 1511 C ALA B 30 10.363 16.925 25.623 1.00 0.00 C ATOM 1512 O ALA B 30 9.420 17.087 24.845 1.00 0.00 O ATOM 1513 CB ALA B 30 10.253 16.560 28.142 1.00 0.00 C ATOM 0 HA ALA B 30 11.302 18.138 27.096 1.00 0.00 H new ATOM 0 HB1 ALA B 30 11.086 15.861 28.074 1.00 0.00 H new ATOM 0 HB2 ALA B 30 10.283 17.068 29.106 1.00 0.00 H new ATOM 0 HB3 ALA B 30 9.314 16.015 28.048 1.00 0.00 H new ATOM 1519 N VAL B 31 11.391 16.125 25.323 1.00 0.00 N ATOM 1520 CA VAL B 31 11.392 15.183 24.183 1.00 0.00 C ATOM 1521 C VAL B 31 11.464 13.733 24.664 1.00 0.00 C ATOM 1522 O VAL B 31 12.233 13.415 25.571 1.00 0.00 O ATOM 1523 CB VAL B 31 12.509 15.501 23.167 1.00 0.00 C ATOM 1524 CG1 VAL B 31 12.611 14.454 22.047 1.00 0.00 C ATOM 1525 CG2 VAL B 31 12.242 16.844 22.483 1.00 0.00 C ATOM 0 H VAL B 31 12.255 16.108 25.864 1.00 0.00 H new ATOM 0 HA VAL B 31 10.445 15.312 23.658 1.00 0.00 H new ATOM 0 HB VAL B 31 13.435 15.512 23.743 1.00 0.00 H new ATOM 0 HG11 VAL B 31 13.413 14.730 21.363 1.00 0.00 H new ATOM 0 HG12 VAL B 31 12.824 13.477 22.481 1.00 0.00 H new ATOM 0 HG13 VAL B 31 11.668 14.411 21.502 1.00 0.00 H new ATOM 0 HG21 VAL B 31 13.039 17.054 21.769 1.00 0.00 H new ATOM 0 HG22 VAL B 31 11.287 16.802 21.959 1.00 0.00 H new ATOM 0 HG23 VAL B 31 12.209 17.634 23.233 1.00 0.00 H new ATOM 1535 N ARG B 32 10.680 12.853 24.027 1.00 0.00 N ATOM 1536 CA ARG B 32 10.721 11.388 24.160 1.00 0.00 C ATOM 1537 C ARG B 32 11.172 10.760 22.837 1.00 0.00 C ATOM 1538 O ARG B 32 10.814 11.246 21.766 1.00 0.00 O ATOM 1539 CB ARG B 32 9.339 10.850 24.573 1.00 0.00 C ATOM 1540 CG ARG B 32 8.933 11.307 25.981 1.00 0.00 C ATOM 1541 CD ARG B 32 7.466 10.977 26.296 1.00 0.00 C ATOM 1542 NE ARG B 32 7.223 9.534 26.448 1.00 0.00 N ATOM 1543 CZ ARG B 32 6.122 8.951 26.889 1.00 0.00 C ATOM 1544 NH1 ARG B 32 5.031 9.593 27.194 1.00 0.00 N1+ ATOM 1545 NH2 ARG B 32 6.136 7.661 27.033 1.00 0.00 N ATOM 0 H ARG B 32 9.962 13.158 23.370 1.00 0.00 H new ATOM 0 HA ARG B 32 11.437 11.120 24.937 1.00 0.00 H new ATOM 0 HB2 ARG B 32 8.591 11.186 23.855 1.00 0.00 H new ATOM 0 HB3 ARG B 32 9.350 9.761 24.536 1.00 0.00 H new ATOM 0 HG2 ARG B 32 9.578 10.827 26.717 1.00 0.00 H new ATOM 0 HG3 ARG B 32 9.090 12.382 26.072 1.00 0.00 H new ATOM 0 HD2 ARG B 32 7.173 11.488 27.213 1.00 0.00 H new ATOM 0 HD3 ARG B 32 6.832 11.365 25.498 1.00 0.00 H new ATOM 0 HE ARG B 32 7.989 8.915 26.184 1.00 0.00 H new ATOM 0 HH11 ARG B 32 4.992 10.608 27.097 1.00 0.00 H new ATOM 0 HH12 ARG B 32 4.215 9.081 27.529 1.00 0.00 H new ATOM 0 HH21 ARG B 32 6.978 7.132 26.808 1.00 0.00 H new ATOM 0 HH22 ARG B 32 5.305 7.177 27.371 1.00 0.00 H new ATOM 1559 N VAL B 33 11.939 9.678 22.915 1.00 0.00 N ATOM 1560 CA VAL B 33 12.469 8.944 21.748 1.00 0.00 C ATOM 1561 C VAL B 33 12.571 7.445 22.045 1.00 0.00 C ATOM 1562 O VAL B 33 13.000 7.053 23.124 1.00 0.00 O ATOM 1563 CB VAL B 33 13.788 9.555 21.201 1.00 0.00 C ATOM 1564 CG1 VAL B 33 14.612 10.360 22.215 1.00 0.00 C ATOM 1565 CG2 VAL B 33 14.708 8.542 20.505 1.00 0.00 C ATOM 0 H VAL B 33 12.222 9.270 23.806 1.00 0.00 H new ATOM 0 HA VAL B 33 11.752 9.058 20.935 1.00 0.00 H new ATOM 0 HB VAL B 33 13.407 10.256 20.459 1.00 0.00 H new ATOM 0 HG11 VAL B 33 15.511 10.742 21.732 1.00 0.00 H new ATOM 0 HG12 VAL B 33 14.017 11.194 22.586 1.00 0.00 H new ATOM 0 HG13 VAL B 33 14.894 9.716 23.048 1.00 0.00 H new ATOM 0 HG21 VAL B 33 15.606 9.049 20.152 1.00 0.00 H new ATOM 0 HG22 VAL B 33 14.986 7.759 21.210 1.00 0.00 H new ATOM 0 HG23 VAL B 33 14.185 8.098 19.658 1.00 0.00 H new ATOM 1575 N THR B 34 12.196 6.609 21.077 1.00 0.00 N ATOM 1576 CA THR B 34 12.154 5.145 21.208 1.00 0.00 C ATOM 1577 C THR B 34 12.853 4.466 20.032 1.00 0.00 C ATOM 1578 O THR B 34 12.647 4.832 18.870 1.00 0.00 O ATOM 1579 CB THR B 34 10.705 4.630 21.339 1.00 0.00 C ATOM 1580 OG1 THR B 34 9.930 5.435 22.201 1.00 0.00 O ATOM 1581 CG2 THR B 34 10.660 3.219 21.931 1.00 0.00 C ATOM 0 H THR B 34 11.905 6.935 20.155 1.00 0.00 H new ATOM 0 HA THR B 34 12.689 4.888 22.123 1.00 0.00 H new ATOM 0 HB THR B 34 10.305 4.650 20.325 1.00 0.00 H new ATOM 0 HG1 THR B 34 9.020 5.075 22.254 1.00 0.00 H new ATOM 0 HG21 THR B 34 9.624 2.890 22.008 1.00 0.00 H new ATOM 0 HG22 THR B 34 11.211 2.536 21.285 1.00 0.00 H new ATOM 0 HG23 THR B 34 11.113 3.226 22.922 1.00 0.00 H new ATOM 1589 N THR B 35 13.695 3.471 20.316 1.00 0.00 N ATOM 1590 CA THR B 35 14.363 2.633 19.306 1.00 0.00 C ATOM 1591 C THR B 35 13.449 1.516 18.789 1.00 0.00 C ATOM 1592 O THR B 35 12.421 1.192 19.389 1.00 0.00 O ATOM 1593 CB THR B 35 15.662 2.016 19.852 1.00 0.00 C ATOM 1594 OG1 THR B 35 15.374 1.004 20.790 1.00 0.00 O ATOM 1595 CG2 THR B 35 16.584 3.045 20.511 1.00 0.00 C ATOM 0 H THR B 35 13.940 3.216 21.273 1.00 0.00 H new ATOM 0 HA THR B 35 14.606 3.295 18.475 1.00 0.00 H new ATOM 0 HB THR B 35 16.182 1.602 18.988 1.00 0.00 H new ATOM 0 HG1 THR B 35 16.211 0.621 21.126 1.00 0.00 H new ATOM 0 HG21 THR B 35 17.483 2.547 20.876 1.00 0.00 H new ATOM 0 HG22 THR B 35 16.861 3.805 19.781 1.00 0.00 H new ATOM 0 HG23 THR B 35 16.066 3.516 21.346 1.00 0.00 H new ATOM 1603 N LEU B 36 13.839 0.868 17.687 1.00 0.00 N ATOM 1604 CA LEU B 36 13.165 -0.334 17.173 1.00 0.00 C ATOM 1605 C LEU B 36 13.292 -1.578 18.080 1.00 0.00 C ATOM 1606 O LEU B 36 12.581 -2.566 17.866 1.00 0.00 O ATOM 1607 CB LEU B 36 13.611 -0.601 15.725 1.00 0.00 C ATOM 1608 CG LEU B 36 15.123 -0.834 15.513 1.00 0.00 C ATOM 1609 CD1 LEU B 36 15.506 -2.311 15.613 1.00 0.00 C ATOM 1610 CD2 LEU B 36 15.499 -0.334 14.120 1.00 0.00 C ATOM 0 H LEU B 36 14.635 1.162 17.122 1.00 0.00 H new ATOM 0 HA LEU B 36 12.095 -0.126 17.179 1.00 0.00 H new ATOM 0 HB2 LEU B 36 13.074 -1.475 15.356 1.00 0.00 H new ATOM 0 HB3 LEU B 36 13.304 0.245 15.110 1.00 0.00 H new ATOM 0 HG LEU B 36 15.656 -0.295 16.297 1.00 0.00 H new ATOM 0 HD11 LEU B 36 16.579 -2.420 15.456 1.00 0.00 H new ATOM 0 HD12 LEU B 36 15.243 -2.689 16.601 1.00 0.00 H new ATOM 0 HD13 LEU B 36 14.969 -2.878 14.853 1.00 0.00 H new ATOM 0 HD21 LEU B 36 16.565 -0.491 13.953 1.00 0.00 H new ATOM 0 HD22 LEU B 36 14.929 -0.883 13.370 1.00 0.00 H new ATOM 0 HD23 LEU B 36 15.272 0.729 14.041 1.00 0.00 H new ATOM 1622 N PHE B 37 14.143 -1.530 19.110 1.00 0.00 N ATOM 1623 CA PHE B 37 14.215 -2.528 20.184 1.00 0.00 C ATOM 1624 C PHE B 37 13.214 -2.254 21.330 1.00 0.00 C ATOM 1625 O PHE B 37 13.246 -2.930 22.361 1.00 0.00 O ATOM 1626 CB PHE B 37 15.659 -2.614 20.701 1.00 0.00 C ATOM 1627 CG PHE B 37 16.702 -2.853 19.623 1.00 0.00 C ATOM 1628 CD1 PHE B 37 16.843 -4.134 19.051 1.00 0.00 C ATOM 1629 CD2 PHE B 37 17.515 -1.794 19.174 1.00 0.00 C ATOM 1630 CE1 PHE B 37 17.796 -4.357 18.039 1.00 0.00 C ATOM 1631 CE2 PHE B 37 18.469 -2.015 18.166 1.00 0.00 C ATOM 1632 CZ PHE B 37 18.609 -3.296 17.594 1.00 0.00 C ATOM 0 H PHE B 37 14.820 -0.775 19.223 1.00 0.00 H new ATOM 0 HA PHE B 37 13.922 -3.492 19.768 1.00 0.00 H new ATOM 0 HB2 PHE B 37 15.900 -1.688 21.223 1.00 0.00 H new ATOM 0 HB3 PHE B 37 15.722 -3.418 21.434 1.00 0.00 H new ATOM 0 HD1 PHE B 37 16.218 -4.947 19.390 1.00 0.00 H new ATOM 0 HD2 PHE B 37 17.405 -0.810 19.605 1.00 0.00 H new ATOM 0 HE1 PHE B 37 17.904 -5.340 17.605 1.00 0.00 H new ATOM 0 HE2 PHE B 37 19.096 -1.203 17.829 1.00 0.00 H new ATOM 0 HZ PHE B 37 19.339 -3.464 16.816 1.00 0.00 H new ATOM 1642 N ASP B 38 12.341 -1.251 21.171 1.00 0.00 N ATOM 1643 CA ASP B 38 11.406 -0.731 22.183 1.00 0.00 C ATOM 1644 C ASP B 38 12.081 -0.119 23.433 1.00 0.00 C ATOM 1645 O ASP B 38 11.433 0.071 24.465 1.00 0.00 O ATOM 1646 CB ASP B 38 10.294 -1.752 22.517 1.00 0.00 C ATOM 1647 CG ASP B 38 9.550 -2.324 21.297 1.00 0.00 C ATOM 1648 OD1 ASP B 38 9.059 -3.476 21.386 1.00 0.00 O ATOM 1649 OD2 ASP B 38 9.392 -1.620 20.268 1.00 0.00 O1- ATOM 0 H ASP B 38 12.262 -0.752 20.285 1.00 0.00 H new ATOM 0 HA ASP B 38 10.918 0.125 21.716 1.00 0.00 H new ATOM 0 HB2 ASP B 38 10.735 -2.578 23.075 1.00 0.00 H new ATOM 0 HB3 ASP B 38 9.568 -1.274 23.175 1.00 0.00 H new ATOM 1654 N GLU B 39 13.375 0.211 23.359 1.00 0.00 N ATOM 1655 CA GLU B 39 14.083 0.951 24.415 1.00 0.00 C ATOM 1656 C GLU B 39 13.768 2.453 24.312 1.00 0.00 C ATOM 1657 O GLU B 39 13.941 3.061 23.252 1.00 0.00 O ATOM 1658 CB GLU B 39 15.595 0.671 24.337 1.00 0.00 C ATOM 1659 CG GLU B 39 16.395 1.267 25.506 1.00 0.00 C ATOM 1660 CD GLU B 39 16.005 0.697 26.889 1.00 0.00 C ATOM 1661 OE1 GLU B 39 15.644 -0.501 26.999 1.00 0.00 O ATOM 1662 OE2 GLU B 39 16.077 1.447 27.898 1.00 0.00 O1- ATOM 0 H GLU B 39 13.965 -0.028 22.562 1.00 0.00 H new ATOM 0 HA GLU B 39 13.737 0.610 25.391 1.00 0.00 H new ATOM 0 HB2 GLU B 39 15.755 -0.407 24.311 1.00 0.00 H new ATOM 0 HB3 GLU B 39 15.982 1.073 23.401 1.00 0.00 H new ATOM 0 HG2 GLU B 39 17.456 1.086 25.336 1.00 0.00 H new ATOM 0 HG3 GLU B 39 16.253 2.348 25.517 1.00 0.00 H new ATOM 1669 N GLU B 40 13.297 3.060 25.407 1.00 0.00 N ATOM 1670 CA GLU B 40 12.819 4.451 25.429 1.00 0.00 C ATOM 1671 C GLU B 40 13.720 5.375 26.270 1.00 0.00 C ATOM 1672 O GLU B 40 14.154 5.019 27.373 1.00 0.00 O ATOM 1673 CB GLU B 40 11.345 4.492 25.881 1.00 0.00 C ATOM 1674 CG GLU B 40 10.711 5.874 25.675 1.00 0.00 C ATOM 1675 CD GLU B 40 9.243 5.969 26.119 1.00 0.00 C ATOM 1676 OE1 GLU B 40 8.579 4.945 26.433 1.00 0.00 O ATOM 1677 OE2 GLU B 40 8.726 7.111 26.183 1.00 0.00 O1- ATOM 0 H GLU B 40 13.235 2.596 26.313 1.00 0.00 H new ATOM 0 HA GLU B 40 12.875 4.844 24.414 1.00 0.00 H new ATOM 0 HB2 GLU B 40 10.776 3.747 25.325 1.00 0.00 H new ATOM 0 HB3 GLU B 40 11.283 4.219 26.935 1.00 0.00 H new ATOM 0 HG2 GLU B 40 11.293 6.613 26.225 1.00 0.00 H new ATOM 0 HG3 GLU B 40 10.777 6.137 24.619 1.00 0.00 H new ATOM 1684 N HIS B 41 13.955 6.581 25.757 1.00 0.00 N ATOM 1685 CA HIS B 41 14.759 7.656 26.351 1.00 0.00 C ATOM 1686 C HIS B 41 13.943 8.955 26.429 1.00 0.00 C ATOM 1687 O HIS B 41 13.050 9.177 25.606 1.00 0.00 O ATOM 1688 CB HIS B 41 16.033 7.871 25.518 1.00 0.00 C ATOM 1689 CG HIS B 41 16.769 6.605 25.154 1.00 0.00 C ATOM 1690 ND1 HIS B 41 17.624 5.879 25.993 1.00 0.00 N ATOM 1691 CD2 HIS B 41 16.654 5.945 23.965 1.00 0.00 C ATOM 1692 CE1 HIS B 41 18.010 4.803 25.281 1.00 0.00 C ATOM 1693 NE2 HIS B 41 17.441 4.820 24.060 1.00 0.00 N ATOM 0 H HIS B 41 13.564 6.855 24.855 1.00 0.00 H new ATOM 0 HA HIS B 41 15.042 7.370 27.364 1.00 0.00 H new ATOM 0 HB2 HIS B 41 15.767 8.397 24.601 1.00 0.00 H new ATOM 0 HB3 HIS B 41 16.709 8.521 26.074 1.00 0.00 H new ATOM 0 HD2 HIS B 41 16.061 6.247 23.115 1.00 0.00 H new ATOM 0 HE1 HIS B 41 18.681 4.035 25.638 1.00 0.00 H new ATOM 0 HE2 HIS B 41 17.571 4.119 23.331 1.00 0.00 H new ATOM 1701 N ALA B 42 14.249 9.823 27.395 1.00 0.00 N ATOM 1702 CA ALA B 42 13.557 11.102 27.587 1.00 0.00 C ATOM 1703 C ALA B 42 14.500 12.216 28.069 1.00 0.00 C ATOM 1704 O ALA B 42 15.423 11.978 28.855 1.00 0.00 O ATOM 1705 CB ALA B 42 12.372 10.896 28.538 1.00 0.00 C ATOM 0 H ALA B 42 14.992 9.657 28.074 1.00 0.00 H new ATOM 0 HA ALA B 42 13.181 11.441 26.621 1.00 0.00 H new ATOM 0 HB1 ALA B 42 11.854 11.844 28.684 1.00 0.00 H new ATOM 0 HB2 ALA B 42 11.683 10.168 28.109 1.00 0.00 H new ATOM 0 HB3 ALA B 42 12.735 10.529 29.498 1.00 0.00 H new ATOM 1711 N PHE B 43 14.234 13.445 27.613 1.00 0.00 N ATOM 1712 CA PHE B 43 15.092 14.622 27.793 1.00 0.00 C ATOM 1713 C PHE B 43 14.251 15.875 28.123 1.00 0.00 C ATOM 1714 O PHE B 43 13.687 16.506 27.218 1.00 0.00 O ATOM 1715 CB PHE B 43 15.937 14.816 26.521 1.00 0.00 C ATOM 1716 CG PHE B 43 16.825 13.636 26.176 1.00 0.00 C ATOM 1717 CD1 PHE B 43 18.024 13.434 26.887 1.00 0.00 C ATOM 1718 CD2 PHE B 43 16.422 12.697 25.203 1.00 0.00 C ATOM 1719 CE1 PHE B 43 18.813 12.299 26.634 1.00 0.00 C ATOM 1720 CE2 PHE B 43 17.221 11.567 24.945 1.00 0.00 C ATOM 1721 CZ PHE B 43 18.408 11.361 25.667 1.00 0.00 C ATOM 0 H PHE B 43 13.384 13.655 27.089 1.00 0.00 H new ATOM 0 HA PHE B 43 15.760 14.466 28.640 1.00 0.00 H new ATOM 0 HB2 PHE B 43 15.269 15.011 25.682 1.00 0.00 H new ATOM 0 HB3 PHE B 43 16.561 15.701 26.645 1.00 0.00 H new ATOM 0 HD1 PHE B 43 18.338 14.153 27.629 1.00 0.00 H new ATOM 0 HD2 PHE B 43 15.502 12.845 24.657 1.00 0.00 H new ATOM 0 HE1 PHE B 43 19.731 12.147 27.182 1.00 0.00 H new ATOM 0 HE2 PHE B 43 16.920 10.856 24.189 1.00 0.00 H new ATOM 0 HZ PHE B 43 19.009 10.483 25.480 1.00 0.00 H new ATOM 1731 N PRO B 44 14.123 16.236 29.416 1.00 0.00 N ATOM 1732 CA PRO B 44 13.376 17.413 29.858 1.00 0.00 C ATOM 1733 C PRO B 44 13.919 18.745 29.327 1.00 0.00 C ATOM 1734 O PRO B 44 15.128 18.919 29.142 1.00 0.00 O ATOM 1735 CB PRO B 44 13.379 17.376 31.391 1.00 0.00 C ATOM 1736 CG PRO B 44 13.569 15.890 31.700 1.00 0.00 C ATOM 1737 CD PRO B 44 14.503 15.446 30.579 1.00 0.00 C ATOM 0 HA PRO B 44 12.367 17.367 29.449 1.00 0.00 H new ATOM 0 HB2 PRO B 44 14.184 17.981 31.808 1.00 0.00 H new ATOM 0 HB3 PRO B 44 12.446 17.758 31.806 1.00 0.00 H new ATOM 0 HG2 PRO B 44 14.010 15.732 32.684 1.00 0.00 H new ATOM 0 HG3 PRO B 44 12.624 15.346 31.683 1.00 0.00 H new ATOM 0 HD2 PRO B 44 15.546 15.618 30.846 1.00 0.00 H new ATOM 0 HD3 PRO B 44 14.397 14.380 30.380 1.00 0.00 H new ATOM 1745 N GLY B 45 13.014 19.703 29.101 1.00 0.00 N ATOM 1746 CA GLY B 45 13.324 21.064 28.640 1.00 0.00 C ATOM 1747 C GLY B 45 13.633 21.185 27.141 1.00 0.00 C ATOM 1748 O GLY B 45 13.835 22.299 26.652 1.00 0.00 O ATOM 0 H GLY B 45 12.015 19.550 29.237 1.00 0.00 H new ATOM 0 HA2 GLY B 45 12.480 21.713 28.875 1.00 0.00 H new ATOM 0 HA3 GLY B 45 14.179 21.437 29.204 1.00 0.00 H new ATOM 1752 N LEU B 46 13.684 20.075 26.395 1.00 0.00 N ATOM 1753 CA LEU B 46 13.950 20.066 24.952 1.00 0.00 C ATOM 1754 C LEU B 46 12.678 20.153 24.087 1.00 0.00 C ATOM 1755 O LEU B 46 11.572 19.846 24.536 1.00 0.00 O ATOM 1756 CB LEU B 46 14.800 18.840 24.556 1.00 0.00 C ATOM 1757 CG LEU B 46 16.155 18.680 25.276 1.00 0.00 C ATOM 1758 CD1 LEU B 46 16.963 17.601 24.562 1.00 0.00 C ATOM 1759 CD2 LEU B 46 17.013 19.945 25.285 1.00 0.00 C ATOM 0 H LEU B 46 13.539 19.143 26.784 1.00 0.00 H new ATOM 0 HA LEU B 46 14.516 20.974 24.747 1.00 0.00 H new ATOM 0 HB2 LEU B 46 14.209 17.942 24.738 1.00 0.00 H new ATOM 0 HB3 LEU B 46 14.987 18.887 23.483 1.00 0.00 H new ATOM 0 HG LEU B 46 15.918 18.431 26.310 1.00 0.00 H new ATOM 0 HD11 LEU B 46 17.924 17.477 25.060 1.00 0.00 H new ATOM 0 HD12 LEU B 46 16.416 16.659 24.589 1.00 0.00 H new ATOM 0 HD13 LEU B 46 17.127 17.895 23.525 1.00 0.00 H new ATOM 0 HD21 LEU B 46 17.947 19.747 25.810 1.00 0.00 H new ATOM 0 HD22 LEU B 46 17.229 20.245 24.260 1.00 0.00 H new ATOM 0 HD23 LEU B 46 16.475 20.746 25.792 1.00 0.00 H new ATOM 1771 N ALA B 47 12.885 20.498 22.817 1.00 0.00 N ATOM 1772 CA ALA B 47 11.973 20.347 21.686 1.00 0.00 C ATOM 1773 C ALA B 47 12.757 19.926 20.420 1.00 0.00 C ATOM 1774 O ALA B 47 13.982 20.095 20.351 1.00 0.00 O ATOM 1775 CB ALA B 47 11.201 21.658 21.473 1.00 0.00 C ATOM 0 H ALA B 47 13.766 20.925 22.530 1.00 0.00 H new ATOM 0 HA ALA B 47 11.250 19.559 21.896 1.00 0.00 H new ATOM 0 HB1 ALA B 47 10.520 21.546 20.629 1.00 0.00 H new ATOM 0 HB2 ALA B 47 10.630 21.894 22.371 1.00 0.00 H new ATOM 0 HB3 ALA B 47 11.904 22.465 21.267 1.00 0.00 H new ATOM 1781 N ILE B 48 12.071 19.368 19.415 1.00 0.00 N ATOM 1782 CA ILE B 48 12.697 18.989 18.133 1.00 0.00 C ATOM 1783 C ILE B 48 13.015 20.267 17.329 1.00 0.00 C ATOM 1784 O ILE B 48 12.111 21.037 16.992 1.00 0.00 O ATOM 1785 CB ILE B 48 11.820 17.993 17.333 1.00 0.00 C ATOM 1786 CG1 ILE B 48 11.534 16.685 18.116 1.00 0.00 C ATOM 1787 CG2 ILE B 48 12.495 17.656 15.987 1.00 0.00 C ATOM 1788 CD1 ILE B 48 10.306 15.929 17.577 1.00 0.00 C ATOM 0 H ILE B 48 11.072 19.166 19.462 1.00 0.00 H new ATOM 0 HA ILE B 48 13.630 18.463 18.334 1.00 0.00 H new ATOM 0 HB ILE B 48 10.862 18.483 17.159 1.00 0.00 H new ATOM 0 HG12 ILE B 48 12.408 16.036 18.063 1.00 0.00 H new ATOM 0 HG13 ILE B 48 11.377 16.923 19.168 1.00 0.00 H new ATOM 0 HG21 ILE B 48 11.871 16.955 15.432 1.00 0.00 H new ATOM 0 HG22 ILE B 48 12.622 18.569 15.405 1.00 0.00 H new ATOM 0 HG23 ILE B 48 13.470 17.205 16.172 1.00 0.00 H new ATOM 0 HD11 ILE B 48 10.152 15.022 18.161 1.00 0.00 H new ATOM 0 HD12 ILE B 48 9.424 16.565 17.655 1.00 0.00 H new ATOM 0 HD13 ILE B 48 10.471 15.664 16.533 1.00 0.00 H new ATOM 1800 N GLY B 49 14.295 20.501 17.027 1.00 0.00 N ATOM 1801 CA GLY B 49 14.779 21.688 16.309 1.00 0.00 C ATOM 1802 C GLY B 49 14.727 21.539 14.788 1.00 0.00 C ATOM 1803 O GLY B 49 14.263 22.443 14.090 1.00 0.00 O ATOM 0 H GLY B 49 15.043 19.856 17.280 1.00 0.00 H new ATOM 0 HA2 GLY B 49 14.181 22.551 16.603 1.00 0.00 H new ATOM 0 HA3 GLY B 49 15.806 21.894 16.612 1.00 0.00 H new ATOM 1807 N ARG B 50 15.165 20.389 14.267 1.00 0.00 N ATOM 1808 CA ARG B 50 15.092 20.035 12.837 1.00 0.00 C ATOM 1809 C ARG B 50 15.149 18.525 12.600 1.00 0.00 C ATOM 1810 O ARG B 50 15.720 17.791 13.410 1.00 0.00 O ATOM 1811 CB ARG B 50 16.180 20.772 12.025 1.00 0.00 C ATOM 1812 CG ARG B 50 17.628 20.396 12.357 1.00 0.00 C ATOM 1813 CD ARG B 50 18.620 21.167 11.475 1.00 0.00 C ATOM 1814 NE ARG B 50 19.967 20.560 11.547 1.00 0.00 N ATOM 1815 CZ ARG B 50 20.580 19.873 10.598 1.00 0.00 C ATOM 1816 NH1 ARG B 50 20.147 19.808 9.378 1.00 0.00 N1+ ATOM 1817 NH2 ARG B 50 21.671 19.209 10.862 1.00 0.00 N ATOM 0 H ARG B 50 15.591 19.658 14.837 1.00 0.00 H new ATOM 0 HA ARG B 50 14.117 20.368 12.481 1.00 0.00 H new ATOM 0 HB2 ARG B 50 16.008 20.581 10.966 1.00 0.00 H new ATOM 0 HB3 ARG B 50 16.058 21.844 12.179 1.00 0.00 H new ATOM 0 HG2 ARG B 50 17.830 20.609 13.407 1.00 0.00 H new ATOM 0 HG3 ARG B 50 17.769 19.324 12.216 1.00 0.00 H new ATOM 0 HD2 ARG B 50 18.271 21.168 10.442 1.00 0.00 H new ATOM 0 HD3 ARG B 50 18.667 22.207 11.796 1.00 0.00 H new ATOM 0 HE ARG B 50 20.477 20.685 12.421 1.00 0.00 H new ATOM 0 HH11 ARG B 50 19.295 20.302 9.112 1.00 0.00 H new ATOM 0 HH12 ARG B 50 20.658 19.263 8.684 1.00 0.00 H new ATOM 0 HH21 ARG B 50 22.057 19.217 11.806 1.00 0.00 H new ATOM 0 HH22 ARG B 50 22.138 18.681 10.124 1.00 0.00 H new ATOM 1831 N VAL B 51 14.605 18.088 11.464 1.00 0.00 N ATOM 1832 CA VAL B 51 14.738 16.717 10.953 1.00 0.00 C ATOM 1833 C VAL B 51 15.292 16.778 9.525 1.00 0.00 C ATOM 1834 O VAL B 51 14.748 17.478 8.669 1.00 0.00 O ATOM 1835 CB VAL B 51 13.414 15.935 11.037 1.00 0.00 C ATOM 1836 CG1 VAL B 51 13.627 14.471 10.632 1.00 0.00 C ATOM 1837 CG2 VAL B 51 12.796 15.979 12.442 1.00 0.00 C ATOM 0 H VAL B 51 14.046 18.688 10.857 1.00 0.00 H new ATOM 0 HA VAL B 51 15.437 16.165 11.581 1.00 0.00 H new ATOM 0 HB VAL B 51 12.724 16.419 10.346 1.00 0.00 H new ATOM 0 HG11 VAL B 51 12.681 13.934 10.697 1.00 0.00 H new ATOM 0 HG12 VAL B 51 13.999 14.427 9.608 1.00 0.00 H new ATOM 0 HG13 VAL B 51 14.353 14.010 11.302 1.00 0.00 H new ATOM 0 HG21 VAL B 51 11.865 15.413 12.448 1.00 0.00 H new ATOM 0 HG22 VAL B 51 13.491 15.542 13.159 1.00 0.00 H new ATOM 0 HG23 VAL B 51 12.593 17.014 12.718 1.00 0.00 H new ATOM 1847 N ASP B 52 16.390 16.067 9.283 1.00 0.00 N ATOM 1848 CA ASP B 52 17.234 16.200 8.095 1.00 0.00 C ATOM 1849 C ASP B 52 17.430 14.824 7.434 1.00 0.00 C ATOM 1850 O ASP B 52 18.402 14.103 7.689 1.00 0.00 O ATOM 1851 CB ASP B 52 18.545 16.879 8.524 1.00 0.00 C ATOM 1852 CG ASP B 52 19.478 17.238 7.358 1.00 0.00 C ATOM 1853 OD1 ASP B 52 19.085 17.116 6.176 1.00 0.00 O ATOM 1854 OD2 ASP B 52 20.616 17.695 7.633 1.00 0.00 O1- ATOM 0 H ASP B 52 16.730 15.356 9.931 1.00 0.00 H new ATOM 0 HA ASP B 52 16.769 16.826 7.333 1.00 0.00 H new ATOM 0 HB2 ASP B 52 18.307 17.788 9.077 1.00 0.00 H new ATOM 0 HB3 ASP B 52 19.076 16.219 9.210 1.00 0.00 H new ATOM 1859 N LEU B 53 16.446 14.442 6.613 1.00 0.00 N ATOM 1860 CA LEU B 53 16.290 13.107 6.028 1.00 0.00 C ATOM 1861 C LEU B 53 17.394 12.767 5.010 1.00 0.00 C ATOM 1862 O LEU B 53 17.635 11.592 4.727 1.00 0.00 O ATOM 1863 CB LEU B 53 14.895 12.988 5.383 1.00 0.00 C ATOM 1864 CG LEU B 53 13.639 13.187 6.252 1.00 0.00 C ATOM 1865 CD1 LEU B 53 13.651 12.320 7.510 1.00 0.00 C ATOM 1866 CD2 LEU B 53 13.342 14.644 6.621 1.00 0.00 C ATOM 0 H LEU B 53 15.705 15.082 6.326 1.00 0.00 H new ATOM 0 HA LEU B 53 16.387 12.381 6.835 1.00 0.00 H new ATOM 0 HB2 LEU B 53 14.848 13.713 4.570 1.00 0.00 H new ATOM 0 HB3 LEU B 53 14.827 11.998 4.932 1.00 0.00 H new ATOM 0 HG LEU B 53 12.825 12.858 5.606 1.00 0.00 H new ATOM 0 HD11 LEU B 53 12.743 12.500 8.085 1.00 0.00 H new ATOM 0 HD12 LEU B 53 13.698 11.269 7.227 1.00 0.00 H new ATOM 0 HD13 LEU B 53 14.521 12.572 8.117 1.00 0.00 H new ATOM 0 HD21 LEU B 53 12.441 14.688 7.233 1.00 0.00 H new ATOM 0 HD22 LEU B 53 14.181 15.056 7.181 1.00 0.00 H new ATOM 0 HD23 LEU B 53 13.192 15.226 5.712 1.00 0.00 H new ATOM 1878 N ARG B 54 18.130 13.779 4.527 1.00 0.00 N ATOM 1879 CA ARG B 54 19.375 13.653 3.749 1.00 0.00 C ATOM 1880 C ARG B 54 20.461 12.839 4.472 1.00 0.00 C ATOM 1881 O ARG B 54 21.283 12.200 3.814 1.00 0.00 O ATOM 1882 CB ARG B 54 19.909 15.066 3.456 1.00 0.00 C ATOM 1883 CG ARG B 54 18.997 15.884 2.524 1.00 0.00 C ATOM 1884 CD ARG B 54 19.213 17.400 2.668 1.00 0.00 C ATOM 1885 NE ARG B 54 20.617 17.802 2.450 1.00 0.00 N ATOM 1886 CZ ARG B 54 21.493 18.152 3.375 1.00 0.00 C ATOM 1887 NH1 ARG B 54 21.239 18.110 4.651 1.00 0.00 N1+ ATOM 1888 NH2 ARG B 54 22.679 18.561 3.023 1.00 0.00 N ATOM 0 H ARG B 54 17.863 14.752 4.674 1.00 0.00 H new ATOM 0 HA ARG B 54 19.138 13.114 2.832 1.00 0.00 H new ATOM 0 HB2 ARG B 54 20.030 15.603 4.397 1.00 0.00 H new ATOM 0 HB3 ARG B 54 20.898 14.986 3.005 1.00 0.00 H new ATOM 0 HG2 ARG B 54 19.182 15.591 1.491 1.00 0.00 H new ATOM 0 HG3 ARG B 54 17.955 15.647 2.741 1.00 0.00 H new ATOM 0 HD2 ARG B 54 18.576 17.922 1.955 1.00 0.00 H new ATOM 0 HD3 ARG B 54 18.901 17.714 3.664 1.00 0.00 H new ATOM 0 HE ARG B 54 20.945 17.810 1.484 1.00 0.00 H new ATOM 0 HH11 ARG B 54 20.326 17.795 4.979 1.00 0.00 H new ATOM 0 HH12 ARG B 54 21.953 18.392 5.323 1.00 0.00 H new ATOM 0 HH21 ARG B 54 22.929 18.610 2.035 1.00 0.00 H new ATOM 0 HH22 ARG B 54 23.357 18.832 3.735 1.00 0.00 H new ATOM 1902 N SER B 55 20.429 12.824 5.809 1.00 0.00 N ATOM 1903 CA SER B 55 21.368 12.095 6.691 1.00 0.00 C ATOM 1904 C SER B 55 20.684 11.302 7.824 1.00 0.00 C ATOM 1905 O SER B 55 21.363 10.728 8.681 1.00 0.00 O ATOM 1906 CB SER B 55 22.405 13.065 7.276 1.00 0.00 C ATOM 1907 OG SER B 55 23.116 13.753 6.252 1.00 0.00 O ATOM 0 H SER B 55 19.722 13.338 6.335 1.00 0.00 H new ATOM 0 HA SER B 55 21.857 11.353 6.060 1.00 0.00 H new ATOM 0 HB2 SER B 55 21.905 13.788 7.921 1.00 0.00 H new ATOM 0 HB3 SER B 55 23.108 12.514 7.900 1.00 0.00 H new ATOM 0 HG SER B 55 23.766 14.363 6.659 1.00 0.00 H new ATOM 1913 N GLY B 56 19.347 11.272 7.863 1.00 0.00 N ATOM 1914 CA GLY B 56 18.553 10.616 8.911 1.00 0.00 C ATOM 1915 C GLY B 56 18.651 11.262 10.306 1.00 0.00 C ATOM 1916 O GLY B 56 18.352 10.605 11.307 1.00 0.00 O ATOM 0 H GLY B 56 18.771 11.715 7.147 1.00 0.00 H new ATOM 0 HA2 GLY B 56 17.507 10.610 8.603 1.00 0.00 H new ATOM 0 HA3 GLY B 56 18.869 9.575 8.987 1.00 0.00 H new ATOM 1920 N VAL B 57 19.118 12.509 10.394 1.00 0.00 N ATOM 1921 CA VAL B 57 19.399 13.195 11.663 1.00 0.00 C ATOM 1922 C VAL B 57 18.149 13.873 12.229 1.00 0.00 C ATOM 1923 O VAL B 57 17.445 14.587 11.517 1.00 0.00 O ATOM 1924 CB VAL B 57 20.551 14.211 11.506 1.00 0.00 C ATOM 1925 CG1 VAL B 57 20.779 15.071 12.753 1.00 0.00 C ATOM 1926 CG2 VAL B 57 21.868 13.473 11.223 1.00 0.00 C ATOM 0 H VAL B 57 19.316 13.082 9.574 1.00 0.00 H new ATOM 0 HA VAL B 57 19.713 12.434 12.377 1.00 0.00 H new ATOM 0 HB VAL B 57 20.258 14.861 10.682 1.00 0.00 H new ATOM 0 HG11 VAL B 57 21.602 15.762 12.573 1.00 0.00 H new ATOM 0 HG12 VAL B 57 19.874 15.636 12.976 1.00 0.00 H new ATOM 0 HG13 VAL B 57 21.023 14.428 13.599 1.00 0.00 H new ATOM 0 HG21 VAL B 57 22.675 14.198 11.114 1.00 0.00 H new ATOM 0 HG22 VAL B 57 22.094 12.801 12.051 1.00 0.00 H new ATOM 0 HG23 VAL B 57 21.771 12.896 10.303 1.00 0.00 H new ATOM 1936 N ILE B 58 17.918 13.701 13.529 1.00 0.00 N ATOM 1937 CA ILE B 58 16.915 14.412 14.329 1.00 0.00 C ATOM 1938 C ILE B 58 17.660 15.231 15.396 1.00 0.00 C ATOM 1939 O ILE B 58 18.240 14.678 16.333 1.00 0.00 O ATOM 1940 CB ILE B 58 15.905 13.403 14.926 1.00 0.00 C ATOM 1941 CG1 ILE B 58 15.074 12.735 13.805 1.00 0.00 C ATOM 1942 CG2 ILE B 58 14.993 14.073 15.969 1.00 0.00 C ATOM 1943 CD1 ILE B 58 14.237 11.540 14.273 1.00 0.00 C ATOM 0 H ILE B 58 18.450 13.030 14.083 1.00 0.00 H new ATOM 0 HA ILE B 58 16.328 15.100 13.721 1.00 0.00 H new ATOM 0 HB ILE B 58 16.471 12.625 15.439 1.00 0.00 H new ATOM 0 HG12 ILE B 58 14.410 13.480 13.367 1.00 0.00 H new ATOM 0 HG13 ILE B 58 15.749 12.405 13.015 1.00 0.00 H new ATOM 0 HG21 ILE B 58 14.295 13.337 16.369 1.00 0.00 H new ATOM 0 HG22 ILE B 58 15.601 14.474 16.780 1.00 0.00 H new ATOM 0 HG23 ILE B 58 14.436 14.883 15.498 1.00 0.00 H new ATOM 0 HD11 ILE B 58 13.685 11.129 13.428 1.00 0.00 H new ATOM 0 HD12 ILE B 58 14.895 10.774 14.684 1.00 0.00 H new ATOM 0 HD13 ILE B 58 13.535 11.866 15.041 1.00 0.00 H new ATOM 1955 N SER B 59 17.683 16.555 15.253 1.00 0.00 N ATOM 1956 CA SER B 59 18.389 17.462 16.165 1.00 0.00 C ATOM 1957 C SER B 59 17.437 18.067 17.202 1.00 0.00 C ATOM 1958 O SER B 59 16.388 18.606 16.830 1.00 0.00 O ATOM 1959 CB SER B 59 19.083 18.565 15.366 1.00 0.00 C ATOM 1960 OG SER B 59 19.875 19.377 16.211 1.00 0.00 O ATOM 0 H SER B 59 17.206 17.037 14.491 1.00 0.00 H new ATOM 0 HA SER B 59 19.139 16.885 16.706 1.00 0.00 H new ATOM 0 HB2 SER B 59 19.708 18.120 14.592 1.00 0.00 H new ATOM 0 HB3 SER B 59 18.337 19.178 14.860 1.00 0.00 H new ATOM 0 HG SER B 59 20.311 20.075 15.679 1.00 0.00 H new ATOM 1966 N LEU B 60 17.785 17.990 18.488 1.00 0.00 N ATOM 1967 CA LEU B 60 17.006 18.566 19.594 1.00 0.00 C ATOM 1968 C LEU B 60 17.694 19.798 20.203 1.00 0.00 C ATOM 1969 O LEU B 60 18.924 19.858 20.296 1.00 0.00 O ATOM 1970 CB LEU B 60 16.749 17.504 20.676 1.00 0.00 C ATOM 1971 CG LEU B 60 16.309 16.105 20.213 1.00 0.00 C ATOM 1972 CD1 LEU B 60 16.098 15.218 21.442 1.00 0.00 C ATOM 1973 CD2 LEU B 60 15.022 16.129 19.388 1.00 0.00 C ATOM 0 H LEU B 60 18.633 17.516 18.800 1.00 0.00 H new ATOM 0 HA LEU B 60 16.052 18.897 19.184 1.00 0.00 H new ATOM 0 HB2 LEU B 60 17.662 17.392 21.260 1.00 0.00 H new ATOM 0 HB3 LEU B 60 15.985 17.890 21.350 1.00 0.00 H new ATOM 0 HG LEU B 60 17.097 15.712 19.571 1.00 0.00 H new ATOM 0 HD11 LEU B 60 15.786 14.223 21.124 1.00 0.00 H new ATOM 0 HD12 LEU B 60 17.030 15.144 22.002 1.00 0.00 H new ATOM 0 HD13 LEU B 60 15.327 15.654 22.078 1.00 0.00 H new ATOM 0 HD21 LEU B 60 14.762 15.113 19.090 1.00 0.00 H new ATOM 0 HD22 LEU B 60 14.214 16.550 19.986 1.00 0.00 H new ATOM 0 HD23 LEU B 60 15.171 16.741 18.499 1.00 0.00 H new ATOM 1985 N ILE B 61 16.895 20.761 20.654 1.00 0.00 N ATOM 1986 CA ILE B 61 17.328 22.037 21.264 1.00 0.00 C ATOM 1987 C ILE B 61 16.442 22.394 22.465 1.00 0.00 C ATOM 1988 O ILE B 61 15.355 21.844 22.622 1.00 0.00 O ATOM 1989 CB ILE B 61 17.379 23.187 20.223 1.00 0.00 C ATOM 1990 CG1 ILE B 61 16.164 23.309 19.272 1.00 0.00 C ATOM 1991 CG2 ILE B 61 18.643 23.043 19.357 1.00 0.00 C ATOM 1992 CD1 ILE B 61 14.853 23.764 19.919 1.00 0.00 C ATOM 0 H ILE B 61 15.879 20.680 20.607 1.00 0.00 H new ATOM 0 HA ILE B 61 18.346 21.902 21.629 1.00 0.00 H new ATOM 0 HB ILE B 61 17.375 24.092 20.830 1.00 0.00 H new ATOM 0 HG12 ILE B 61 16.418 24.011 18.478 1.00 0.00 H new ATOM 0 HG13 ILE B 61 15.997 22.341 18.800 1.00 0.00 H new ATOM 0 HG21 ILE B 61 18.678 23.851 18.626 1.00 0.00 H new ATOM 0 HG22 ILE B 61 19.527 23.091 19.993 1.00 0.00 H new ATOM 0 HG23 ILE B 61 18.621 22.085 18.837 1.00 0.00 H new ATOM 0 HD11 ILE B 61 14.071 23.814 19.161 1.00 0.00 H new ATOM 0 HD12 ILE B 61 14.563 23.053 20.693 1.00 0.00 H new ATOM 0 HD13 ILE B 61 14.990 24.749 20.365 1.00 0.00 H new ATOM 2004 N GLU B 62 16.893 23.291 23.344 1.00 0.00 N ATOM 2005 CA GLU B 62 16.076 23.782 24.469 1.00 0.00 C ATOM 2006 C GLU B 62 14.859 24.575 23.969 1.00 0.00 C ATOM 2007 O GLU B 62 14.970 25.430 23.089 1.00 0.00 O ATOM 2008 CB GLU B 62 16.913 24.630 25.439 1.00 0.00 C ATOM 2009 CG GLU B 62 17.989 23.801 26.165 1.00 0.00 C ATOM 2010 CD GLU B 62 18.790 24.640 27.182 1.00 0.00 C ATOM 2011 OE1 GLU B 62 18.200 25.469 27.923 1.00 0.00 O ATOM 2012 OE2 GLU B 62 20.031 24.465 27.271 1.00 0.00 O1- ATOM 0 H GLU B 62 17.827 23.699 23.302 1.00 0.00 H new ATOM 0 HA GLU B 62 15.712 22.909 25.012 1.00 0.00 H new ATOM 0 HB2 GLU B 62 17.392 25.440 24.889 1.00 0.00 H new ATOM 0 HB3 GLU B 62 16.255 25.091 26.176 1.00 0.00 H new ATOM 0 HG2 GLU B 62 17.514 22.966 26.680 1.00 0.00 H new ATOM 0 HG3 GLU B 62 18.673 23.375 25.431 1.00 0.00 H new ATOM 2019 N GLU B 63 13.685 24.326 24.547 1.00 0.00 N ATOM 2020 CA GLU B 63 12.416 24.953 24.133 1.00 0.00 C ATOM 2021 C GLU B 63 12.287 26.437 24.538 1.00 0.00 C ATOM 2022 O GLU B 63 11.350 27.112 24.122 1.00 0.00 O ATOM 2023 CB GLU B 63 11.240 24.091 24.631 1.00 0.00 C ATOM 2024 CG GLU B 63 10.963 24.162 26.141 1.00 0.00 C ATOM 2025 CD GLU B 63 10.048 25.329 26.546 1.00 0.00 C ATOM 2026 OE1 GLU B 63 10.373 26.028 27.532 1.00 0.00 O ATOM 2027 OE2 GLU B 63 8.987 25.548 25.908 1.00 0.00 O1- ATOM 0 H GLU B 63 13.580 23.676 25.326 1.00 0.00 H new ATOM 0 HA GLU B 63 12.399 24.982 23.044 1.00 0.00 H new ATOM 0 HB2 GLU B 63 10.338 24.395 24.099 1.00 0.00 H new ATOM 0 HB3 GLU B 63 11.434 23.052 24.363 1.00 0.00 H new ATOM 0 HG2 GLU B 63 10.507 23.226 26.462 1.00 0.00 H new ATOM 0 HG3 GLU B 63 11.911 24.254 26.672 1.00 0.00 H new