USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=11 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 Set 1.1: B 35 THR OG1 : rot -114:sc= 0.831 USER MOD Set 1.2: B 41 HIS : no HE2:sc= 0.714 K(o=1.5,f=-2.6) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -66:sc= 0.265 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) 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 -116:sc= -0.553 (180deg=-0.796) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 THR OG1 : rot 180:sc= 0.73 USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 THR OG1 : rot -150:sc= 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 10.894 12.184 3.736 1.00 0.00 N ATOM 88 CA ALA A 4 9.728 12.287 4.598 1.00 0.00 C ATOM 89 C ALA A 4 8.462 12.777 3.859 1.00 0.00 C ATOM 90 O ALA A 4 8.496 13.146 2.679 1.00 0.00 O ATOM 91 CB ALA A 4 10.102 13.222 5.760 1.00 0.00 C ATOM 0 HA ALA A 4 9.465 11.295 4.964 1.00 0.00 H new ATOM 0 HB1 ALA A 4 9.250 13.326 6.432 1.00 0.00 H new ATOM 0 HB2 ALA A 4 10.947 12.803 6.307 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.375 14.201 5.366 1.00 0.00 H new ATOM 97 N LYS A 5 7.353 12.836 4.598 1.00 0.00 N ATOM 98 CA LYS A 5 6.110 13.534 4.243 1.00 0.00 C ATOM 99 C LYS A 5 5.566 14.302 5.450 1.00 0.00 C ATOM 100 O LYS A 5 5.483 13.753 6.549 1.00 0.00 O ATOM 101 CB LYS A 5 5.107 12.559 3.601 1.00 0.00 C ATOM 102 CG LYS A 5 4.744 11.328 4.451 1.00 0.00 C ATOM 103 CD LYS A 5 3.872 10.357 3.646 1.00 0.00 C ATOM 104 CE LYS A 5 3.580 9.102 4.473 1.00 0.00 C ATOM 105 NZ LYS A 5 2.770 8.114 3.713 1.00 0.00 N1+ ATOM 0 H LYS A 5 7.291 12.376 5.506 1.00 0.00 H new ATOM 0 HA LYS A 5 6.310 14.288 3.481 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.191 13.105 3.373 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.518 12.215 2.652 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.653 10.824 4.778 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.213 11.643 5.350 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.937 10.843 3.365 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.379 10.082 2.721 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.520 8.642 4.779 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.050 9.382 5.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 2.594 7.279 4.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 1.863 8.544 3.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.286 7.827 2.857 1.00 0.00 H new ATOM 119 N VAL A 6 5.232 15.580 5.259 1.00 0.00 N ATOM 120 CA VAL A 6 4.814 16.503 6.338 1.00 0.00 C ATOM 121 C VAL A 6 3.291 16.650 6.363 1.00 0.00 C ATOM 122 O VAL A 6 2.655 16.721 5.310 1.00 0.00 O ATOM 123 CB VAL A 6 5.528 17.864 6.214 1.00 0.00 C ATOM 124 CG1 VAL A 6 4.943 18.971 7.106 1.00 0.00 C ATOM 125 CG2 VAL A 6 7.006 17.729 6.589 1.00 0.00 C ATOM 0 H VAL A 6 5.242 16.018 4.338 1.00 0.00 H new ATOM 0 HA VAL A 6 5.115 16.075 7.294 1.00 0.00 H new ATOM 0 HB VAL A 6 5.388 18.152 5.172 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.504 19.893 6.956 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.898 19.135 6.844 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.012 18.670 8.151 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.495 18.699 6.496 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.090 17.377 7.617 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.487 17.015 5.921 1.00 0.00 H new ATOM 135 N VAL A 7 2.709 16.735 7.563 1.00 0.00 N ATOM 136 CA VAL A 7 1.282 17.006 7.805 1.00 0.00 C ATOM 137 C VAL A 7 1.083 17.997 8.964 1.00 0.00 C ATOM 138 O VAL A 7 1.818 17.980 9.956 1.00 0.00 O ATOM 139 CB VAL A 7 0.487 15.696 8.009 1.00 0.00 C ATOM 140 CG1 VAL A 7 0.947 14.868 9.217 1.00 0.00 C ATOM 141 CG2 VAL A 7 -1.026 15.932 8.148 1.00 0.00 C ATOM 0 H VAL A 7 3.236 16.613 8.428 1.00 0.00 H new ATOM 0 HA VAL A 7 0.879 17.485 6.912 1.00 0.00 H new ATOM 0 HB VAL A 7 0.695 15.133 7.099 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.340 13.965 9.292 1.00 0.00 H new ATOM 0 HG12 VAL A 7 1.994 14.592 9.092 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.834 15.458 10.127 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.532 14.977 8.289 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.217 16.574 9.008 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.404 16.413 7.246 1.00 0.00 H new ATOM 151 N LEU A 8 0.076 18.865 8.836 1.00 0.00 N ATOM 152 CA LEU A 8 -0.330 19.864 9.837 1.00 0.00 C ATOM 153 C LEU A 8 -1.829 20.190 9.756 1.00 0.00 C ATOM 154 O LEU A 8 -2.478 19.962 8.729 1.00 0.00 O ATOM 155 CB LEU A 8 0.575 21.122 9.771 1.00 0.00 C ATOM 156 CG LEU A 8 0.607 22.056 8.534 1.00 0.00 C ATOM 157 CD1 LEU A 8 1.103 21.346 7.276 1.00 0.00 C ATOM 158 CD2 LEU A 8 -0.690 22.835 8.313 1.00 0.00 C ATOM 0 H LEU A 8 -0.505 18.895 7.998 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.182 19.426 10.824 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.309 21.744 10.626 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.598 20.780 9.932 1.00 0.00 H new ATOM 0 HG LEU A 8 1.351 22.818 8.767 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.105 22.046 6.440 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.115 20.976 7.442 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.443 20.509 7.047 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.590 23.466 7.430 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.514 22.136 8.168 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.892 23.459 9.183 1.00 0.00 H new ATOM 266 N VAL A 16 -3.235 20.240 5.716 1.00 0.00 N ATOM 267 CA VAL A 16 -2.221 20.375 4.654 1.00 0.00 C ATOM 268 C VAL A 16 -1.283 19.162 4.689 1.00 0.00 C ATOM 269 O VAL A 16 -0.923 18.687 5.768 1.00 0.00 O ATOM 270 CB VAL A 16 -1.457 21.700 4.836 1.00 0.00 C ATOM 271 CG1 VAL A 16 -0.181 21.838 4.005 1.00 0.00 C ATOM 272 CG2 VAL A 16 -2.340 22.921 4.568 1.00 0.00 C ATOM 0 HA VAL A 16 -2.699 20.400 3.675 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.158 21.665 5.884 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.281 22.805 4.205 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.514 21.042 4.271 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.427 21.766 2.946 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.756 23.830 4.709 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.711 22.884 3.544 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.182 22.920 5.260 1.00 0.00 H new ATOM 282 N GLU A 17 -0.862 18.675 3.519 1.00 0.00 N ATOM 283 CA GLU A 17 0.094 17.565 3.365 1.00 0.00 C ATOM 284 C GLU A 17 1.132 17.861 2.268 1.00 0.00 C ATOM 285 O GLU A 17 0.804 18.484 1.252 1.00 0.00 O ATOM 286 CB GLU A 17 -0.641 16.249 3.051 1.00 0.00 C ATOM 287 CG GLU A 17 -1.504 15.744 4.220 1.00 0.00 C ATOM 288 CD GLU A 17 -2.129 14.364 3.940 1.00 0.00 C ATOM 289 OE1 GLU A 17 -2.506 14.060 2.780 1.00 0.00 O ATOM 290 OE2 GLU A 17 -2.272 13.566 4.900 1.00 0.00 O1- ATOM 0 H GLU A 17 -1.183 19.049 2.626 1.00 0.00 H new ATOM 0 HA GLU A 17 0.621 17.459 4.313 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.275 16.394 2.176 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.091 15.484 2.791 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.892 15.686 5.120 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.297 16.465 4.419 1.00 0.00 H new ATOM 297 N ILE A 18 2.376 17.396 2.449 1.00 0.00 N ATOM 298 CA ILE A 18 3.508 17.638 1.529 1.00 0.00 C ATOM 299 C ILE A 18 4.294 16.335 1.325 1.00 0.00 C ATOM 300 O ILE A 18 4.750 15.744 2.305 1.00 0.00 O ATOM 301 CB ILE A 18 4.441 18.761 2.059 1.00 0.00 C ATOM 302 CG1 ILE A 18 3.691 20.068 2.416 1.00 0.00 C ATOM 303 CG2 ILE A 18 5.565 19.057 1.046 1.00 0.00 C ATOM 304 CD1 ILE A 18 4.528 21.030 3.264 1.00 0.00 C ATOM 0 H ILE A 18 2.634 16.828 3.256 1.00 0.00 H new ATOM 0 HA ILE A 18 3.108 17.972 0.572 1.00 0.00 H new ATOM 0 HB ILE A 18 4.871 18.383 2.986 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.392 20.571 1.496 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.777 19.819 2.955 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.208 19.846 1.436 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.156 18.155 0.884 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.128 19.379 0.101 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.946 21.926 3.480 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.805 20.544 4.199 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.430 21.306 2.717 1.00 0.00 H new ATOM 316 N GLY A 19 4.465 15.899 0.072 1.00 0.00 N ATOM 317 CA GLY A 19 5.267 14.724 -0.302 1.00 0.00 C ATOM 318 C GLY A 19 6.709 15.062 -0.711 1.00 0.00 C ATOM 319 O GLY A 19 7.019 16.211 -1.039 1.00 0.00 O ATOM 0 H GLY A 19 4.040 16.363 -0.731 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.291 14.030 0.538 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.776 14.209 -1.128 1.00 0.00 H new ATOM 323 N ASP A 20 7.586 14.053 -0.702 1.00 0.00 N ATOM 324 CA ASP A 20 9.021 14.158 -1.040 1.00 0.00 C ATOM 325 C ASP A 20 9.739 15.287 -0.274 1.00 0.00 C ATOM 326 O ASP A 20 10.471 16.106 -0.844 1.00 0.00 O ATOM 327 CB ASP A 20 9.261 14.186 -2.568 1.00 0.00 C ATOM 328 CG ASP A 20 8.473 13.110 -3.348 1.00 0.00 C ATOM 329 OD1 ASP A 20 8.020 13.391 -4.485 1.00 0.00 O ATOM 330 OD2 ASP A 20 8.318 11.968 -2.848 1.00 0.00 O1- ATOM 0 H ASP A 20 7.312 13.103 -0.451 1.00 0.00 H new ATOM 0 HA ASP A 20 9.493 13.242 -0.686 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.988 15.170 -2.950 1.00 0.00 H new ATOM 0 HB3 ASP A 20 10.326 14.053 -2.761 1.00 0.00 H new ATOM 335 N VAL A 21 9.502 15.363 1.041 1.00 0.00 N ATOM 336 CA VAL A 21 10.136 16.340 1.937 1.00 0.00 C ATOM 337 C VAL A 21 11.584 15.931 2.207 1.00 0.00 C ATOM 338 O VAL A 21 11.859 14.848 2.734 1.00 0.00 O ATOM 339 CB VAL A 21 9.341 16.516 3.240 1.00 0.00 C ATOM 340 CG1 VAL A 21 10.101 17.382 4.248 1.00 0.00 C ATOM 341 CG2 VAL A 21 8.000 17.182 2.921 1.00 0.00 C ATOM 0 H VAL A 21 8.854 14.738 1.521 1.00 0.00 H new ATOM 0 HA VAL A 21 10.138 17.312 1.444 1.00 0.00 H new ATOM 0 HB VAL A 21 9.188 15.532 3.682 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.509 17.486 5.158 1.00 0.00 H new ATOM 0 HG12 VAL A 21 11.054 16.911 4.487 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.281 18.367 3.818 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.430 17.310 3.841 1.00 0.00 H new ATOM 0 HG22 VAL A 21 8.177 18.156 2.465 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.437 16.554 2.230 1.00 0.00 H new ATOM 351 N LEU A 22 12.504 16.822 1.849 1.00 0.00 N ATOM 352 CA LEU A 22 13.947 16.618 1.914 1.00 0.00 C ATOM 353 C LEU A 22 14.568 17.237 3.181 1.00 0.00 C ATOM 354 O LEU A 22 15.616 16.769 3.631 1.00 0.00 O ATOM 355 CB LEU A 22 14.538 17.154 0.590 1.00 0.00 C ATOM 356 CG LEU A 22 16.024 16.841 0.344 1.00 0.00 C ATOM 357 CD1 LEU A 22 16.310 15.337 0.326 1.00 0.00 C ATOM 358 CD2 LEU A 22 16.453 17.415 -1.008 1.00 0.00 C ATOM 0 H LEU A 22 12.254 17.744 1.491 1.00 0.00 H new ATOM 0 HA LEU A 22 14.190 15.560 2.008 1.00 0.00 H new ATOM 0 HB2 LEU A 22 13.958 16.744 -0.237 1.00 0.00 H new ATOM 0 HB3 LEU A 22 14.405 18.236 0.567 1.00 0.00 H new ATOM 0 HG LEU A 22 16.581 17.292 1.165 1.00 0.00 H new ATOM 0 HD11 LEU A 22 17.373 15.171 0.149 1.00 0.00 H new ATOM 0 HD12 LEU A 22 16.030 14.902 1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 22 15.732 14.866 -0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 22 17.506 17.192 -1.180 1.00 0.00 H new ATOM 0 HD22 LEU A 22 15.853 16.967 -1.800 1.00 0.00 H new ATOM 0 HD23 LEU A 22 16.306 18.495 -1.008 1.00 0.00 H new ATOM 370 N GLU A 23 13.924 18.239 3.800 1.00 0.00 N ATOM 371 CA GLU A 23 14.349 18.817 5.088 1.00 0.00 C ATOM 372 C GLU A 23 13.208 19.593 5.778 1.00 0.00 C ATOM 373 O GLU A 23 12.360 20.180 5.099 1.00 0.00 O ATOM 374 CB GLU A 23 15.562 19.742 4.854 1.00 0.00 C ATOM 375 CG GLU A 23 16.222 20.221 6.154 1.00 0.00 C ATOM 376 CD GLU A 23 17.709 20.568 5.944 1.00 0.00 C ATOM 377 OE1 GLU A 23 18.104 21.729 6.216 1.00 0.00 O ATOM 378 OE2 GLU A 23 18.500 19.706 5.488 1.00 0.00 O1- ATOM 0 H GLU A 23 13.085 18.676 3.418 1.00 0.00 H new ATOM 0 HA GLU A 23 14.627 18.000 5.753 1.00 0.00 H new ATOM 0 HB2 GLU A 23 16.302 19.214 4.253 1.00 0.00 H new ATOM 0 HB3 GLU A 23 15.242 20.609 4.276 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.693 21.097 6.529 1.00 0.00 H new ATOM 0 HG3 GLU A 23 16.133 19.445 6.915 1.00 0.00 H new ATOM 385 N VAL A 24 13.205 19.649 7.114 1.00 0.00 N ATOM 386 CA VAL A 24 12.389 20.589 7.918 1.00 0.00 C ATOM 387 C VAL A 24 13.215 21.274 9.005 1.00 0.00 C ATOM 388 O VAL A 24 14.161 20.691 9.542 1.00 0.00 O ATOM 389 CB VAL A 24 11.141 19.944 8.565 1.00 0.00 C ATOM 390 CG1 VAL A 24 10.132 19.475 7.527 1.00 0.00 C ATOM 391 CG2 VAL A 24 11.465 18.757 9.465 1.00 0.00 C ATOM 0 H VAL A 24 13.780 19.032 7.687 1.00 0.00 H new ATOM 0 HA VAL A 24 12.040 21.329 7.197 1.00 0.00 H new ATOM 0 HB VAL A 24 10.716 20.743 9.173 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.274 19.029 8.029 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.802 20.325 6.930 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.597 18.734 6.877 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.542 18.356 9.884 1.00 0.00 H new ATOM 0 HG22 VAL A 24 11.965 17.984 8.882 1.00 0.00 H new ATOM 0 HG23 VAL A 24 12.120 19.082 10.274 1.00 0.00 H new ATOM 401 N ARG A 25 12.829 22.503 9.366 1.00 0.00 N ATOM 402 CA ARG A 25 13.441 23.316 10.433 1.00 0.00 C ATOM 403 C ARG A 25 12.384 24.078 11.239 1.00 0.00 C ATOM 404 O ARG A 25 11.446 24.637 10.659 1.00 0.00 O ATOM 405 CB ARG A 25 14.457 24.315 9.846 1.00 0.00 C ATOM 406 CG ARG A 25 15.594 23.660 9.040 1.00 0.00 C ATOM 407 CD ARG A 25 16.634 24.709 8.629 1.00 0.00 C ATOM 408 NE ARG A 25 17.691 24.125 7.785 1.00 0.00 N ATOM 409 CZ ARG A 25 18.818 24.688 7.396 1.00 0.00 C ATOM 410 NH1 ARG A 25 19.606 24.027 6.607 1.00 0.00 N1+ ATOM 411 NH2 ARG A 25 19.179 25.886 7.764 1.00 0.00 N ATOM 0 H ARG A 25 12.053 22.980 8.908 1.00 0.00 H new ATOM 0 HA ARG A 25 13.957 22.628 11.103 1.00 0.00 H new ATOM 0 HB2 ARG A 25 13.928 25.017 9.202 1.00 0.00 H new ATOM 0 HB3 ARG A 25 14.891 24.895 10.660 1.00 0.00 H new ATOM 0 HG2 ARG A 25 16.070 22.882 9.637 1.00 0.00 H new ATOM 0 HG3 ARG A 25 15.187 23.176 8.152 1.00 0.00 H new ATOM 0 HD2 ARG A 25 16.142 25.518 8.089 1.00 0.00 H new ATOM 0 HD3 ARG A 25 17.081 25.148 9.521 1.00 0.00 H new ATOM 0 HE ARG A 25 17.532 23.170 7.463 1.00 0.00 H new ATOM 0 HH11 ARG A 25 19.349 23.089 6.299 1.00 0.00 H new ATOM 0 HH12 ARG A 25 20.483 24.445 6.295 1.00 0.00 H new ATOM 0 HH21 ARG A 25 18.578 26.433 8.381 1.00 0.00 H new ATOM 0 HH22 ARG A 25 20.062 26.276 7.435 1.00 0.00 H new ATOM 425 N ALA A 26 12.548 24.135 12.557 1.00 0.00 N ATOM 426 CA ALA A 26 11.819 25.041 13.440 1.00 0.00 C ATOM 427 C ALA A 26 12.562 26.387 13.577 1.00 0.00 C ATOM 428 O ALA A 26 13.786 26.436 13.707 1.00 0.00 O ATOM 429 CB ALA A 26 11.607 24.359 14.795 1.00 0.00 C ATOM 0 H ALA A 26 13.208 23.537 13.054 1.00 0.00 H new ATOM 0 HA ALA A 26 10.842 25.266 13.012 1.00 0.00 H new ATOM 0 HB1 ALA A 26 11.063 25.031 15.459 1.00 0.00 H new ATOM 0 HB2 ALA A 26 11.033 23.443 14.655 1.00 0.00 H new ATOM 0 HB3 ALA A 26 12.574 24.117 15.236 1.00 0.00 H new ATOM 464 N ALA A 30 7.685 29.771 13.775 1.00 0.00 N ATOM 465 CA ALA A 30 7.225 29.056 12.574 1.00 0.00 C ATOM 466 C ALA A 30 7.966 27.729 12.326 1.00 0.00 C ATOM 467 O ALA A 30 9.076 27.523 12.821 1.00 0.00 O ATOM 468 CB ALA A 30 7.413 29.980 11.359 1.00 0.00 C ATOM 0 HA ALA A 30 6.177 28.799 12.728 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.077 29.468 10.457 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.828 30.889 11.499 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.467 30.239 11.258 1.00 0.00 H new ATOM 474 N VAL A 31 7.383 26.866 11.487 1.00 0.00 N ATOM 475 CA VAL A 31 8.094 25.749 10.826 1.00 0.00 C ATOM 476 C VAL A 31 8.344 26.070 9.349 1.00 0.00 C ATOM 477 O VAL A 31 7.495 26.671 8.690 1.00 0.00 O ATOM 478 CB VAL A 31 7.331 24.414 10.973 1.00 0.00 C ATOM 479 CG1 VAL A 31 7.977 23.259 10.193 1.00 0.00 C ATOM 480 CG2 VAL A 31 7.311 23.992 12.441 1.00 0.00 C ATOM 0 H VAL A 31 6.395 26.918 11.241 1.00 0.00 H new ATOM 0 HA VAL A 31 9.055 25.630 11.326 1.00 0.00 H new ATOM 0 HB VAL A 31 6.332 24.596 10.576 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.393 22.350 10.338 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.005 23.507 9.132 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.993 23.099 10.555 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.772 23.050 12.541 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.333 23.865 12.797 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.813 24.760 13.034 1.00 0.00 H new ATOM 490 N ARG A 32 9.494 25.635 8.822 1.00 0.00 N ATOM 491 CA ARG A 32 9.856 25.644 7.399 1.00 0.00 C ATOM 492 C ARG A 32 10.094 24.223 6.882 1.00 0.00 C ATOM 493 O ARG A 32 10.576 23.362 7.622 1.00 0.00 O ATOM 494 CB ARG A 32 11.092 26.534 7.177 1.00 0.00 C ATOM 495 CG ARG A 32 10.777 28.022 7.397 1.00 0.00 C ATOM 496 CD ARG A 32 12.050 28.876 7.386 1.00 0.00 C ATOM 497 NE ARG A 32 12.733 28.901 6.080 1.00 0.00 N ATOM 498 CZ ARG A 32 13.886 29.496 5.824 1.00 0.00 C ATOM 499 NH1 ARG A 32 14.568 30.123 6.739 1.00 0.00 N1+ ATOM 500 NH2 ARG A 32 14.383 29.463 4.622 1.00 0.00 N ATOM 0 H ARG A 32 10.235 25.247 9.406 1.00 0.00 H new ATOM 0 HA ARG A 32 9.025 26.060 6.830 1.00 0.00 H new ATOM 0 HB2 ARG A 32 11.887 26.227 7.857 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.466 26.389 6.164 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.098 28.370 6.618 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.262 28.148 8.349 1.00 0.00 H new ATOM 0 HD2 ARG A 32 11.795 29.896 7.673 1.00 0.00 H new ATOM 0 HD3 ARG A 32 12.739 28.495 8.140 1.00 0.00 H new ATOM 0 HE ARG A 32 12.277 28.417 5.307 1.00 0.00 H new ATOM 0 HH11 ARG A 32 14.217 30.168 7.696 1.00 0.00 H new ATOM 0 HH12 ARG A 32 15.454 30.569 6.499 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.883 28.978 3.877 1.00 0.00 H new ATOM 0 HH22 ARG A 32 15.272 29.922 4.425 1.00 0.00 H new ATOM 514 N VAL A 33 9.794 24.006 5.602 1.00 0.00 N ATOM 515 CA VAL A 33 9.915 22.729 4.880 1.00 0.00 C ATOM 516 C VAL A 33 10.620 22.970 3.545 1.00 0.00 C ATOM 517 O VAL A 33 10.327 23.962 2.876 1.00 0.00 O ATOM 518 CB VAL A 33 8.531 22.092 4.612 1.00 0.00 C ATOM 519 CG1 VAL A 33 8.627 20.656 4.089 1.00 0.00 C ATOM 520 CG2 VAL A 33 7.590 22.115 5.828 1.00 0.00 C ATOM 0 H VAL A 33 9.441 24.753 5.004 1.00 0.00 H new ATOM 0 HA VAL A 33 10.491 22.043 5.501 1.00 0.00 H new ATOM 0 HB VAL A 33 8.101 22.728 3.838 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.625 20.263 3.920 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.184 20.647 3.152 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.141 20.035 4.823 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.640 21.651 5.562 1.00 0.00 H new ATOM 0 HG22 VAL A 33 8.045 21.564 6.651 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.417 23.147 6.134 1.00 0.00 H new ATOM 530 N THR A 34 11.494 22.057 3.133 1.00 0.00 N ATOM 531 CA THR A 34 12.140 22.032 1.807 1.00 0.00 C ATOM 532 C THR A 34 11.826 20.715 1.104 1.00 0.00 C ATOM 533 O THR A 34 12.081 19.639 1.652 1.00 0.00 O ATOM 534 CB THR A 34 13.662 22.228 1.924 1.00 0.00 C ATOM 535 OG1 THR A 34 13.950 23.454 2.563 1.00 0.00 O ATOM 536 CG2 THR A 34 14.365 22.257 0.562 1.00 0.00 C ATOM 0 H THR A 34 11.788 21.283 3.728 1.00 0.00 H new ATOM 0 HA THR A 34 11.743 22.858 1.216 1.00 0.00 H new ATOM 0 HB THR A 34 14.028 21.377 2.498 1.00 0.00 H new ATOM 0 HG1 THR A 34 14.921 23.566 2.633 1.00 0.00 H new ATOM 0 HG21 THR A 34 15.436 22.398 0.708 1.00 0.00 H new ATOM 0 HG22 THR A 34 14.190 21.315 0.042 1.00 0.00 H new ATOM 0 HG23 THR A 34 13.969 23.079 -0.034 1.00 0.00 H new ATOM 544 N THR A 35 11.269 20.779 -0.104 1.00 0.00 N ATOM 545 CA THR A 35 10.969 19.599 -0.938 1.00 0.00 C ATOM 546 C THR A 35 12.145 19.172 -1.824 1.00 0.00 C ATOM 547 O THR A 35 13.103 19.920 -2.041 1.00 0.00 O ATOM 548 CB THR A 35 9.738 19.827 -1.834 1.00 0.00 C ATOM 549 OG1 THR A 35 10.000 20.831 -2.795 1.00 0.00 O ATOM 550 CG2 THR A 35 8.478 20.196 -1.047 1.00 0.00 C ATOM 0 H THR A 35 11.007 21.661 -0.544 1.00 0.00 H new ATOM 0 HA THR A 35 10.765 18.799 -0.227 1.00 0.00 H new ATOM 0 HB THR A 35 9.546 18.875 -2.328 1.00 0.00 H new ATOM 0 HG1 THR A 35 10.131 21.690 -2.343 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.648 20.343 -1.738 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.234 19.392 -0.352 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.654 21.116 -0.490 1.00 0.00 H new ATOM 558 N LEU A 36 12.026 17.982 -2.417 1.00 0.00 N ATOM 559 CA LEU A 36 12.882 17.465 -3.492 1.00 0.00 C ATOM 560 C LEU A 36 13.095 18.462 -4.650 1.00 0.00 C ATOM 561 O LEU A 36 14.163 18.491 -5.261 1.00 0.00 O ATOM 562 CB LEU A 36 12.184 16.192 -4.012 1.00 0.00 C ATOM 563 CG LEU A 36 12.890 15.470 -5.168 1.00 0.00 C ATOM 564 CD1 LEU A 36 14.216 14.872 -4.707 1.00 0.00 C ATOM 565 CD2 LEU A 36 12.009 14.335 -5.686 1.00 0.00 C ATOM 0 H LEU A 36 11.297 17.320 -2.150 1.00 0.00 H new ATOM 0 HA LEU A 36 13.880 17.273 -3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.078 15.493 -3.182 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.177 16.458 -4.335 1.00 0.00 H new ATOM 0 HG LEU A 36 13.074 16.201 -5.955 1.00 0.00 H new ATOM 0 HD11 LEU A 36 14.697 14.366 -5.544 1.00 0.00 H new ATOM 0 HD12 LEU A 36 14.866 15.667 -4.341 1.00 0.00 H new ATOM 0 HD13 LEU A 36 14.033 14.156 -3.906 1.00 0.00 H new ATOM 0 HD21 LEU A 36 12.516 13.827 -6.506 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.819 13.625 -4.881 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.062 14.742 -6.041 1.00 0.00 H new ATOM 577 N PHE A 37 12.074 19.270 -4.948 1.00 0.00 N ATOM 578 CA PHE A 37 12.020 20.201 -6.081 1.00 0.00 C ATOM 579 C PHE A 37 12.697 21.561 -5.802 1.00 0.00 C ATOM 580 O PHE A 37 12.591 22.485 -6.613 1.00 0.00 O ATOM 581 CB PHE A 37 10.548 20.366 -6.494 1.00 0.00 C ATOM 582 CG PHE A 37 9.799 19.046 -6.585 1.00 0.00 C ATOM 583 CD1 PHE A 37 10.094 18.142 -7.621 1.00 0.00 C ATOM 584 CD2 PHE A 37 8.881 18.685 -5.581 1.00 0.00 C ATOM 585 CE1 PHE A 37 9.473 16.882 -7.654 1.00 0.00 C ATOM 586 CE2 PHE A 37 8.268 17.415 -5.608 1.00 0.00 C ATOM 587 CZ PHE A 37 8.565 16.514 -6.644 1.00 0.00 C ATOM 0 H PHE A 37 11.225 19.295 -4.383 1.00 0.00 H new ATOM 0 HA PHE A 37 12.598 19.777 -6.902 1.00 0.00 H new ATOM 0 HB2 PHE A 37 10.046 21.012 -5.774 1.00 0.00 H new ATOM 0 HB3 PHE A 37 10.503 20.869 -7.460 1.00 0.00 H new ATOM 0 HD1 PHE A 37 10.799 18.416 -8.392 1.00 0.00 H new ATOM 0 HD2 PHE A 37 8.646 19.381 -4.789 1.00 0.00 H new ATOM 0 HE1 PHE A 37 9.693 16.194 -8.457 1.00 0.00 H new ATOM 0 HE2 PHE A 37 7.570 17.135 -4.832 1.00 0.00 H new ATOM 0 HZ PHE A 37 8.097 15.541 -6.665 1.00 0.00 H new ATOM 597 N ASP A 38 13.367 21.701 -4.654 1.00 0.00 N ATOM 598 CA ASP A 38 13.913 22.949 -4.090 1.00 0.00 C ATOM 599 C ASP A 38 12.852 24.035 -3.782 1.00 0.00 C ATOM 600 O ASP A 38 13.195 25.180 -3.479 1.00 0.00 O ATOM 601 CB ASP A 38 15.100 23.485 -4.923 1.00 0.00 C ATOM 602 CG ASP A 38 16.210 22.451 -5.193 1.00 0.00 C ATOM 603 OD1 ASP A 38 16.812 22.490 -6.296 1.00 0.00 O ATOM 604 OD2 ASP A 38 16.537 21.637 -4.295 1.00 0.00 O1- ATOM 0 H ASP A 38 13.557 20.899 -4.053 1.00 0.00 H new ATOM 0 HA ASP A 38 14.303 22.676 -3.109 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.722 23.851 -5.878 1.00 0.00 H new ATOM 0 HB3 ASP A 38 15.535 24.339 -4.404 1.00 0.00 H new ATOM 609 N GLU A 39 11.561 23.690 -3.825 1.00 0.00 N ATOM 610 CA GLU A 39 10.465 24.546 -3.356 1.00 0.00 C ATOM 611 C GLU A 39 10.381 24.524 -1.819 1.00 0.00 C ATOM 612 O GLU A 39 10.389 23.452 -1.198 1.00 0.00 O ATOM 613 CB GLU A 39 9.138 24.110 -4.006 1.00 0.00 C ATOM 614 CG GLU A 39 7.953 24.998 -3.595 1.00 0.00 C ATOM 615 CD GLU A 39 6.656 24.596 -4.326 1.00 0.00 C ATOM 616 OE1 GLU A 39 6.037 25.470 -4.984 1.00 0.00 O ATOM 617 OE2 GLU A 39 6.220 23.425 -4.214 1.00 0.00 O1- ATOM 0 H GLU A 39 11.242 22.793 -4.193 1.00 0.00 H new ATOM 0 HA GLU A 39 10.663 25.575 -3.656 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.245 24.134 -5.090 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.925 23.077 -3.729 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.801 24.926 -2.518 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.186 26.040 -3.815 1.00 0.00 H new ATOM 624 N GLU A 40 10.284 25.702 -1.199 1.00 0.00 N ATOM 625 CA GLU A 40 10.058 25.858 0.245 1.00 0.00 C ATOM 626 C GLU A 40 8.586 26.137 0.592 1.00 0.00 C ATOM 627 O GLU A 40 7.861 26.804 -0.150 1.00 0.00 O ATOM 628 CB GLU A 40 10.956 26.958 0.838 1.00 0.00 C ATOM 629 CG GLU A 40 12.445 26.580 0.839 1.00 0.00 C ATOM 630 CD GLU A 40 13.306 27.625 1.576 1.00 0.00 C ATOM 631 OE1 GLU A 40 12.947 28.046 2.705 1.00 0.00 O ATOM 632 OE2 GLU A 40 14.370 28.026 1.040 1.00 0.00 O1- ATOM 0 H GLU A 40 10.361 26.591 -1.692 1.00 0.00 H new ATOM 0 HA GLU A 40 10.324 24.901 0.695 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.820 27.877 0.268 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.639 27.167 1.860 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.572 25.607 1.313 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.795 26.482 -0.189 1.00 0.00 H new ATOM 639 N HIS A 41 8.175 25.681 1.780 1.00 0.00 N ATOM 640 CA HIS A 41 6.883 25.980 2.421 1.00 0.00 C ATOM 641 C HIS A 41 7.103 26.444 3.867 1.00 0.00 C ATOM 642 O HIS A 41 8.085 26.051 4.500 1.00 0.00 O ATOM 643 CB HIS A 41 5.954 24.758 2.356 1.00 0.00 C ATOM 644 CG HIS A 41 5.664 24.289 0.955 1.00 0.00 C ATOM 645 ND1 HIS A 41 4.711 24.854 0.101 1.00 0.00 N ATOM 646 CD2 HIS A 41 6.316 23.287 0.295 1.00 0.00 C ATOM 647 CE1 HIS A 41 4.820 24.184 -1.061 1.00 0.00 C ATOM 648 NE2 HIS A 41 5.770 23.239 -0.970 1.00 0.00 N ATOM 0 H HIS A 41 8.757 25.066 2.349 1.00 0.00 H new ATOM 0 HA HIS A 41 6.398 26.792 1.879 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.406 23.940 2.917 1.00 0.00 H new ATOM 0 HB3 HIS A 41 5.013 25.002 2.850 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.102 22.658 0.686 1.00 0.00 H new ATOM 0 HE1 HIS A 41 4.227 24.379 -1.942 1.00 0.00 H new ATOM 0 HE2 HIS A 41 6.042 22.594 -1.712 1.00 0.00 H new ATOM 656 N ALA A 42 6.193 27.270 4.392 1.00 0.00 N ATOM 657 CA ALA A 42 6.287 27.847 5.738 1.00 0.00 C ATOM 658 C ALA A 42 4.927 27.900 6.451 1.00 0.00 C ATOM 659 O ALA A 42 3.896 28.184 5.832 1.00 0.00 O ATOM 660 CB ALA A 42 6.928 29.235 5.653 1.00 0.00 C ATOM 0 H ALA A 42 5.357 27.562 3.886 1.00 0.00 H new ATOM 0 HA ALA A 42 6.918 27.196 6.343 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.999 29.665 6.652 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.926 29.149 5.224 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.316 29.880 5.023 1.00 0.00 H new ATOM 666 N PHE A 43 4.949 27.660 7.767 1.00 0.00 N ATOM 667 CA PHE A 43 3.767 27.525 8.623 1.00 0.00 C ATOM 668 C PHE A 43 3.982 28.244 9.967 1.00 0.00 C ATOM 669 O PHE A 43 4.536 27.655 10.904 1.00 0.00 O ATOM 670 CB PHE A 43 3.443 26.034 8.801 1.00 0.00 C ATOM 671 CG PHE A 43 3.192 25.318 7.493 1.00 0.00 C ATOM 672 CD1 PHE A 43 1.960 25.479 6.828 1.00 0.00 C ATOM 673 CD2 PHE A 43 4.213 24.559 6.894 1.00 0.00 C ATOM 674 CE1 PHE A 43 1.764 24.908 5.562 1.00 0.00 C ATOM 675 CE2 PHE A 43 4.017 23.986 5.626 1.00 0.00 C ATOM 676 CZ PHE A 43 2.794 24.172 4.957 1.00 0.00 C ATOM 0 H PHE A 43 5.822 27.551 8.283 1.00 0.00 H new ATOM 0 HA PHE A 43 2.910 28.005 8.151 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.269 25.549 9.320 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.564 25.933 9.437 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.165 26.043 7.294 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.151 24.416 7.410 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.820 25.035 5.053 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.803 23.405 5.167 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.647 23.747 3.975 1.00 0.00 H new ATOM 686 N PRO A 44 3.593 29.536 10.078 1.00 0.00 N ATOM 687 CA PRO A 44 3.700 30.295 11.321 1.00 0.00 C ATOM 688 C PRO A 44 2.741 29.765 12.403 1.00 0.00 C ATOM 689 O PRO A 44 1.644 29.276 12.121 1.00 0.00 O ATOM 690 CB PRO A 44 3.429 31.756 10.946 1.00 0.00 C ATOM 691 CG PRO A 44 2.565 31.650 9.689 1.00 0.00 C ATOM 692 CD PRO A 44 3.050 30.371 9.015 1.00 0.00 C ATOM 0 HA PRO A 44 4.690 30.194 11.767 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.911 32.286 11.745 1.00 0.00 H new ATOM 0 HB3 PRO A 44 4.354 32.298 10.752 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.505 31.593 9.937 1.00 0.00 H new ATOM 0 HG3 PRO A 44 2.695 32.517 9.041 1.00 0.00 H new ATOM 0 HD2 PRO A 44 2.231 29.866 8.502 1.00 0.00 H new ATOM 0 HD3 PRO A 44 3.810 30.590 8.264 1.00 0.00 H new ATOM 700 N GLY A 45 3.180 29.873 13.657 1.00 0.00 N ATOM 701 CA GLY A 45 2.464 29.405 14.849 1.00 0.00 C ATOM 702 C GLY A 45 2.646 27.912 15.159 1.00 0.00 C ATOM 703 O GLY A 45 2.060 27.428 16.133 1.00 0.00 O ATOM 0 H GLY A 45 4.077 30.304 13.881 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.799 29.985 15.709 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.401 29.609 14.722 1.00 0.00 H new ATOM 707 N LEU A 46 3.458 27.186 14.381 1.00 0.00 N ATOM 708 CA LEU A 46 3.768 25.767 14.589 1.00 0.00 C ATOM 709 C LEU A 46 5.214 25.522 15.079 1.00 0.00 C ATOM 710 O LEU A 46 6.103 26.368 14.935 1.00 0.00 O ATOM 711 CB LEU A 46 3.495 24.965 13.297 1.00 0.00 C ATOM 712 CG LEU A 46 2.080 25.077 12.693 1.00 0.00 C ATOM 713 CD1 LEU A 46 1.947 24.101 11.526 1.00 0.00 C ATOM 714 CD2 LEU A 46 0.966 24.726 13.682 1.00 0.00 C ATOM 0 H LEU A 46 3.930 27.580 13.567 1.00 0.00 H new ATOM 0 HA LEU A 46 3.110 25.419 15.385 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.213 25.284 12.541 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.694 23.913 13.502 1.00 0.00 H new ATOM 0 HG LEU A 46 1.967 26.118 12.390 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.947 24.179 11.098 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.688 24.342 10.764 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.111 23.084 11.882 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.002 24.826 13.191 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.094 23.699 14.025 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.011 25.402 14.536 1.00 0.00 H new ATOM 726 N ALA A 47 5.443 24.304 15.572 1.00 0.00 N ATOM 727 CA ALA A 47 6.738 23.661 15.809 1.00 0.00 C ATOM 728 C ALA A 47 6.680 22.180 15.363 1.00 0.00 C ATOM 729 O ALA A 47 5.593 21.605 15.230 1.00 0.00 O ATOM 730 CB ALA A 47 7.104 23.808 17.294 1.00 0.00 C ATOM 0 H ALA A 47 4.669 23.694 15.836 1.00 0.00 H new ATOM 0 HA ALA A 47 7.518 24.143 15.219 1.00 0.00 H new ATOM 0 HB1 ALA A 47 8.067 23.332 17.480 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.166 24.866 17.550 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.339 23.331 17.906 1.00 0.00 H new ATOM 736 N ILE A 48 7.833 21.540 15.121 1.00 0.00 N ATOM 737 CA ILE A 48 7.900 20.099 14.799 1.00 0.00 C ATOM 738 C ILE A 48 7.500 19.290 16.049 1.00 0.00 C ATOM 739 O ILE A 48 8.119 19.429 17.107 1.00 0.00 O ATOM 740 CB ILE A 48 9.294 19.704 14.251 1.00 0.00 C ATOM 741 CG1 ILE A 48 9.678 20.468 12.960 1.00 0.00 C ATOM 742 CG2 ILE A 48 9.336 18.191 13.955 1.00 0.00 C ATOM 743 CD1 ILE A 48 11.197 20.567 12.740 1.00 0.00 C ATOM 0 H ILE A 48 8.743 22.000 15.142 1.00 0.00 H new ATOM 0 HA ILE A 48 7.195 19.868 14.000 1.00 0.00 H new ATOM 0 HB ILE A 48 10.013 19.972 15.025 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.226 19.969 12.103 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.258 21.473 13.002 1.00 0.00 H new ATOM 0 HG21 ILE A 48 10.320 17.923 13.570 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.141 17.635 14.872 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.577 17.944 13.213 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.396 21.114 11.818 1.00 0.00 H new ATOM 0 HD12 ILE A 48 11.653 21.092 13.579 1.00 0.00 H new ATOM 0 HD13 ILE A 48 11.620 19.565 12.666 1.00 0.00 H new ATOM 755 N GLY A 49 6.447 18.472 15.940 1.00 0.00 N ATOM 756 CA GLY A 49 5.774 17.834 17.079 1.00 0.00 C ATOM 757 C GLY A 49 6.017 16.329 17.216 1.00 0.00 C ATOM 758 O GLY A 49 6.191 15.843 18.335 1.00 0.00 O ATOM 0 H GLY A 49 6.030 18.230 15.041 1.00 0.00 H new ATOM 0 HA2 GLY A 49 6.101 18.324 17.996 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.701 18.007 16.991 1.00 0.00 H new ATOM 762 N ARG A 50 6.044 15.584 16.105 1.00 0.00 N ATOM 763 CA ARG A 50 6.263 14.127 16.082 1.00 0.00 C ATOM 764 C ARG A 50 6.904 13.674 14.766 1.00 0.00 C ATOM 765 O ARG A 50 6.641 14.253 13.714 1.00 0.00 O ATOM 766 CB ARG A 50 4.921 13.424 16.386 1.00 0.00 C ATOM 767 CG ARG A 50 4.928 11.896 16.200 1.00 0.00 C ATOM 768 CD ARG A 50 3.589 11.273 16.616 1.00 0.00 C ATOM 769 NE ARG A 50 3.505 9.879 16.150 1.00 0.00 N ATOM 770 CZ ARG A 50 2.768 8.893 16.623 1.00 0.00 C ATOM 771 NH1 ARG A 50 1.914 9.054 17.600 1.00 0.00 N1+ ATOM 772 NH2 ARG A 50 2.870 7.709 16.083 1.00 0.00 N ATOM 0 H ARG A 50 5.912 15.982 15.175 1.00 0.00 H new ATOM 0 HA ARG A 50 6.978 13.843 16.854 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.636 13.648 17.414 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.152 13.849 15.742 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.134 11.656 15.157 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.733 11.460 16.792 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.486 11.307 17.701 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.766 11.853 16.199 1.00 0.00 H new ATOM 0 HE ARG A 50 4.097 9.644 15.353 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.797 9.972 18.029 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.365 8.262 17.933 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.513 7.556 15.306 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.307 6.936 16.438 1.00 0.00 H new ATOM 786 N VAL A 51 7.717 12.620 14.825 1.00 0.00 N ATOM 787 CA VAL A 51 8.343 11.960 13.662 1.00 0.00 C ATOM 788 C VAL A 51 8.178 10.441 13.779 1.00 0.00 C ATOM 789 O VAL A 51 8.536 9.869 14.808 1.00 0.00 O ATOM 790 CB VAL A 51 9.842 12.321 13.524 1.00 0.00 C ATOM 791 CG1 VAL A 51 10.409 11.847 12.179 1.00 0.00 C ATOM 792 CG2 VAL A 51 10.117 13.825 13.644 1.00 0.00 C ATOM 0 H VAL A 51 7.972 12.181 15.710 1.00 0.00 H new ATOM 0 HA VAL A 51 7.838 12.320 12.766 1.00 0.00 H new ATOM 0 HB VAL A 51 10.332 11.809 14.352 1.00 0.00 H new ATOM 0 HG11 VAL A 51 11.463 12.116 12.114 1.00 0.00 H new ATOM 0 HG12 VAL A 51 10.305 10.765 12.101 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.862 12.323 11.365 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.186 14.009 13.538 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.578 14.357 12.860 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.783 14.179 14.619 1.00 0.00 H new ATOM 802 N ASP A 52 7.689 9.779 12.730 1.00 0.00 N ATOM 803 CA ASP A 52 7.604 8.318 12.617 1.00 0.00 C ATOM 804 C ASP A 52 8.529 7.800 11.508 1.00 0.00 C ATOM 805 O ASP A 52 8.234 7.918 10.318 1.00 0.00 O ATOM 806 CB ASP A 52 6.160 7.854 12.354 1.00 0.00 C ATOM 807 CG ASP A 52 5.223 8.084 13.541 1.00 0.00 C ATOM 808 OD1 ASP A 52 4.729 9.215 13.734 1.00 0.00 O ATOM 809 OD2 ASP A 52 4.945 7.113 14.283 1.00 0.00 O1- ATOM 0 H ASP A 52 7.328 10.259 11.906 1.00 0.00 H new ATOM 0 HA ASP A 52 7.928 7.902 13.571 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.769 8.382 11.484 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.167 6.793 12.106 1.00 0.00 H new ATOM 814 N LEU A 53 9.643 7.172 11.885 1.00 0.00 N ATOM 815 CA LEU A 53 10.612 6.600 10.943 1.00 0.00 C ATOM 816 C LEU A 53 10.161 5.240 10.384 1.00 0.00 C ATOM 817 O LEU A 53 10.753 4.723 9.437 1.00 0.00 O ATOM 818 CB LEU A 53 11.994 6.516 11.617 1.00 0.00 C ATOM 819 CG LEU A 53 12.658 7.834 12.081 1.00 0.00 C ATOM 820 CD1 LEU A 53 12.666 8.907 10.990 1.00 0.00 C ATOM 821 CD2 LEU A 53 12.065 8.434 13.360 1.00 0.00 C ATOM 0 H LEU A 53 9.903 7.043 12.863 1.00 0.00 H new ATOM 0 HA LEU A 53 10.680 7.262 10.080 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.902 5.864 12.486 1.00 0.00 H new ATOM 0 HB3 LEU A 53 12.675 6.026 10.922 1.00 0.00 H new ATOM 0 HG LEU A 53 13.680 7.530 12.306 1.00 0.00 H new ATOM 0 HD11 LEU A 53 13.144 9.810 11.371 1.00 0.00 H new ATOM 0 HD12 LEU A 53 13.219 8.542 10.124 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.641 9.135 10.696 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.593 9.355 13.608 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.008 8.652 13.204 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.172 7.723 14.179 1.00 0.00 H new ATOM 833 N ARG A 54 9.077 4.680 10.939 1.00 0.00 N ATOM 834 CA ARG A 54 8.343 3.505 10.430 1.00 0.00 C ATOM 835 C ARG A 54 7.612 3.771 9.103 1.00 0.00 C ATOM 836 O ARG A 54 7.339 2.821 8.361 1.00 0.00 O ATOM 837 CB ARG A 54 7.329 3.072 11.504 1.00 0.00 C ATOM 838 CG ARG A 54 8.011 2.566 12.789 1.00 0.00 C ATOM 839 CD ARG A 54 7.011 2.255 13.913 1.00 0.00 C ATOM 840 NE ARG A 54 6.375 3.484 14.429 1.00 0.00 N ATOM 841 CZ ARG A 54 6.292 3.904 15.679 1.00 0.00 C ATOM 842 NH1 ARG A 54 6.765 3.236 16.689 1.00 0.00 N1+ ATOM 843 NH2 ARG A 54 5.722 5.033 15.954 1.00 0.00 N ATOM 0 H ARG A 54 8.666 5.049 11.796 1.00 0.00 H new ATOM 0 HA ARG A 54 9.070 2.720 10.224 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.681 3.914 11.748 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.691 2.285 11.101 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.584 1.668 12.561 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.720 3.317 13.138 1.00 0.00 H new ATOM 0 HD2 ARG A 54 6.244 1.576 13.541 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.524 1.741 14.726 1.00 0.00 H new ATOM 0 HE ARG A 54 5.943 4.087 13.729 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.228 2.340 16.536 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.673 3.608 17.634 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.334 5.604 15.204 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.661 5.351 16.921 1.00 0.00 H new ATOM 857 N SER A 55 7.303 5.038 8.803 1.00 0.00 N ATOM 858 CA SER A 55 6.452 5.452 7.669 1.00 0.00 C ATOM 859 C SER A 55 6.910 6.738 6.956 1.00 0.00 C ATOM 860 O SER A 55 6.381 7.059 5.886 1.00 0.00 O ATOM 861 CB SER A 55 5.013 5.632 8.175 1.00 0.00 C ATOM 862 OG SER A 55 4.960 6.659 9.155 1.00 0.00 O ATOM 0 H SER A 55 7.644 5.827 9.352 1.00 0.00 H new ATOM 0 HA SER A 55 6.527 4.661 6.923 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.356 5.881 7.342 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.650 4.696 8.599 1.00 0.00 H new ATOM 0 HG SER A 55 4.037 6.765 9.468 1.00 0.00 H new ATOM 868 N GLY A 56 7.875 7.476 7.511 1.00 0.00 N ATOM 869 CA GLY A 56 8.383 8.747 6.986 1.00 0.00 C ATOM 870 C GLY A 56 7.537 9.979 7.351 1.00 0.00 C ATOM 871 O GLY A 56 7.799 11.068 6.837 1.00 0.00 O ATOM 0 H GLY A 56 8.343 7.194 8.372 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.397 8.897 7.356 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.447 8.676 5.900 1.00 0.00 H new ATOM 875 N VAL A 57 6.509 9.837 8.199 1.00 0.00 N ATOM 876 CA VAL A 57 5.618 10.944 8.588 1.00 0.00 C ATOM 877 C VAL A 57 6.305 11.909 9.559 1.00 0.00 C ATOM 878 O VAL A 57 6.889 11.503 10.563 1.00 0.00 O ATOM 879 CB VAL A 57 4.289 10.423 9.175 1.00 0.00 C ATOM 880 CG1 VAL A 57 3.396 11.541 9.732 1.00 0.00 C ATOM 881 CG2 VAL A 57 3.481 9.688 8.099 1.00 0.00 C ATOM 0 H VAL A 57 6.269 8.948 8.638 1.00 0.00 H new ATOM 0 HA VAL A 57 5.385 11.500 7.680 1.00 0.00 H new ATOM 0 HB VAL A 57 4.570 9.758 9.991 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.478 11.109 10.130 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.924 12.066 10.528 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.151 12.243 8.934 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.547 9.327 8.529 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.263 10.371 7.278 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.059 8.843 7.724 1.00 0.00 H new ATOM 891 N ILE A 58 6.178 13.205 9.276 1.00 0.00 N ATOM 892 CA ILE A 58 6.502 14.333 10.155 1.00 0.00 C ATOM 893 C ILE A 58 5.193 15.081 10.446 1.00 0.00 C ATOM 894 O ILE A 58 4.486 15.486 9.521 1.00 0.00 O ATOM 895 CB ILE A 58 7.575 15.233 9.494 1.00 0.00 C ATOM 896 CG1 ILE A 58 8.937 14.502 9.479 1.00 0.00 C ATOM 897 CG2 ILE A 58 7.697 16.600 10.202 1.00 0.00 C ATOM 898 CD1 ILE A 58 10.019 15.203 8.649 1.00 0.00 C ATOM 0 H ILE A 58 5.824 13.517 8.371 1.00 0.00 H new ATOM 0 HA ILE A 58 6.931 13.996 11.099 1.00 0.00 H new ATOM 0 HB ILE A 58 7.262 15.431 8.469 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.292 14.398 10.504 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.791 13.495 9.089 1.00 0.00 H new ATOM 0 HG21 ILE A 58 8.461 17.200 9.706 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.740 17.120 10.156 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.976 16.446 11.244 1.00 0.00 H new ATOM 0 HD11 ILE A 58 10.942 14.625 8.692 1.00 0.00 H new ATOM 0 HD12 ILE A 58 9.688 15.283 7.613 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.197 16.200 9.051 1.00 0.00 H new ATOM 910 N SER A 59 4.868 15.274 11.720 1.00 0.00 N ATOM 911 CA SER A 59 3.645 15.935 12.188 1.00 0.00 C ATOM 912 C SER A 59 3.981 17.187 12.996 1.00 0.00 C ATOM 913 O SER A 59 4.843 17.155 13.880 1.00 0.00 O ATOM 914 CB SER A 59 2.801 14.951 13.007 1.00 0.00 C ATOM 915 OG SER A 59 1.583 15.552 13.425 1.00 0.00 O ATOM 0 H SER A 59 5.467 14.965 12.486 1.00 0.00 H new ATOM 0 HA SER A 59 3.061 16.252 11.324 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.587 14.065 12.410 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.365 14.620 13.879 1.00 0.00 H new ATOM 0 HG SER A 59 1.060 14.906 13.944 1.00 0.00 H new ATOM 921 N LEU A 60 3.324 18.304 12.676 1.00 0.00 N ATOM 922 CA LEU A 60 3.543 19.608 13.314 1.00 0.00 C ATOM 923 C LEU A 60 2.446 19.924 14.346 1.00 0.00 C ATOM 924 O LEU A 60 1.287 19.536 14.175 1.00 0.00 O ATOM 925 CB LEU A 60 3.656 20.711 12.248 1.00 0.00 C ATOM 926 CG LEU A 60 4.572 20.417 11.042 1.00 0.00 C ATOM 927 CD1 LEU A 60 4.642 21.650 10.144 1.00 0.00 C ATOM 928 CD2 LEU A 60 6.000 20.043 11.443 1.00 0.00 C ATOM 0 H LEU A 60 2.608 18.330 11.950 1.00 0.00 H new ATOM 0 HA LEU A 60 4.485 19.567 13.860 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.656 20.924 11.872 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.014 21.619 12.734 1.00 0.00 H new ATOM 0 HG LEU A 60 4.135 19.563 10.525 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.289 21.443 9.292 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.642 21.898 9.789 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.045 22.490 10.710 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.590 19.849 10.548 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.448 20.865 12.002 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.981 19.148 12.066 1.00 0.00 H new ATOM 940 N ILE A 61 2.805 20.654 15.404 1.00 0.00 N ATOM 941 CA ILE A 61 1.924 21.051 16.526 1.00 0.00 C ATOM 942 C ILE A 61 1.996 22.563 16.781 1.00 0.00 C ATOM 943 O ILE A 61 2.970 23.209 16.400 1.00 0.00 O ATOM 944 CB ILE A 61 2.231 20.225 17.804 1.00 0.00 C ATOM 945 CG1 ILE A 61 3.678 20.342 18.341 1.00 0.00 C ATOM 946 CG2 ILE A 61 1.873 18.745 17.565 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.928 21.549 19.258 1.00 0.00 C ATOM 0 H ILE A 61 3.756 21.004 15.516 1.00 0.00 H new ATOM 0 HA ILE A 61 0.896 20.825 16.242 1.00 0.00 H new ATOM 0 HB ILE A 61 1.607 20.661 18.584 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.923 19.431 18.887 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.362 20.399 17.494 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.090 18.168 18.464 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.813 18.661 17.327 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.463 18.357 16.734 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.968 21.548 19.585 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.720 22.470 18.713 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.274 21.487 20.128 1.00 0.00 H new ATOM 959 N GLU A 62 0.976 23.145 17.414 1.00 0.00 N ATOM 960 CA GLU A 62 0.923 24.587 17.711 1.00 0.00 C ATOM 961 C GLU A 62 1.915 24.986 18.816 1.00 0.00 C ATOM 962 O GLU A 62 1.881 24.447 19.927 1.00 0.00 O ATOM 963 CB GLU A 62 -0.504 25.016 18.097 1.00 0.00 C ATOM 964 CG GLU A 62 -1.514 24.821 16.953 1.00 0.00 C ATOM 965 CD GLU A 62 -2.903 25.331 17.366 1.00 0.00 C ATOM 966 OE1 GLU A 62 -3.693 24.553 17.960 1.00 0.00 O ATOM 967 OE2 GLU A 62 -3.237 26.507 17.073 1.00 0.00 O1- ATOM 0 H GLU A 62 0.157 22.631 17.739 1.00 0.00 H new ATOM 0 HA GLU A 62 1.215 25.110 16.800 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.829 24.442 18.965 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.496 26.065 18.394 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.174 25.354 16.065 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.572 23.765 16.688 1.00 0.00 H new ATOM 974 N GLU A 63 2.779 25.962 18.532 1.00 0.00 N ATOM 975 CA GLU A 63 3.689 26.553 19.526 1.00 0.00 C ATOM 976 C GLU A 63 2.999 27.622 20.402 1.00 0.00 C ATOM 977 O GLU A 63 3.404 27.851 21.545 1.00 0.00 O ATOM 978 CB GLU A 63 4.963 27.087 18.837 1.00 0.00 C ATOM 979 CG GLU A 63 4.782 28.339 17.956 1.00 0.00 C ATOM 980 CD GLU A 63 5.545 29.576 18.463 1.00 0.00 C ATOM 981 OE1 GLU A 63 6.762 29.483 18.763 1.00 0.00 O ATOM 982 OE2 GLU A 63 4.931 30.670 18.532 1.00 0.00 O1- ATOM 0 H GLU A 63 2.871 26.370 17.602 1.00 0.00 H new ATOM 0 HA GLU A 63 3.987 25.763 20.215 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.701 27.313 19.607 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.379 26.290 18.220 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.114 28.110 16.944 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.720 28.579 17.897 1.00 0.00 H new ATOM 1115 N MET B 3 15.900 4.020 9.233 1.00 0.00 N ATOM 1116 CA MET B 3 15.716 4.803 10.462 1.00 0.00 C ATOM 1117 C MET B 3 16.672 6.000 10.552 1.00 0.00 C ATOM 1118 O MET B 3 17.798 5.959 10.050 1.00 0.00 O ATOM 1119 CB MET B 3 15.891 3.903 11.690 1.00 0.00 C ATOM 1120 CG MET B 3 14.719 2.926 11.858 1.00 0.00 C ATOM 1121 SD MET B 3 14.876 1.813 13.278 1.00 0.00 S ATOM 1122 CE MET B 3 16.213 0.752 12.683 1.00 0.00 C ATOM 0 HA MET B 3 14.702 5.203 10.435 1.00 0.00 H new ATOM 0 HB2 MET B 3 16.821 3.342 11.599 1.00 0.00 H new ATOM 0 HB3 MET B 3 15.979 4.521 12.583 1.00 0.00 H new ATOM 0 HG2 MET B 3 13.796 3.497 11.959 1.00 0.00 H new ATOM 0 HG3 MET B 3 14.626 2.328 10.951 1.00 0.00 H new ATOM 0 HE1 MET B 3 15.845 -0.268 12.568 1.00 0.00 H new ATOM 0 HE2 MET B 3 16.568 1.120 11.721 1.00 0.00 H new ATOM 0 HE3 MET B 3 17.033 0.763 13.401 1.00 0.00 H new ATOM 1132 N ALA B 4 16.231 7.052 11.246 1.00 0.00 N ATOM 1133 CA ALA B 4 17.056 8.210 11.602 1.00 0.00 C ATOM 1134 C ALA B 4 17.902 7.953 12.867 1.00 0.00 C ATOM 1135 O ALA B 4 17.729 6.951 13.567 1.00 0.00 O ATOM 1136 CB ALA B 4 16.130 9.424 11.773 1.00 0.00 C ATOM 0 H ALA B 4 15.271 7.124 11.583 1.00 0.00 H new ATOM 0 HA ALA B 4 17.772 8.403 10.804 1.00 0.00 H new ATOM 0 HB1 ALA B 4 16.723 10.299 12.039 1.00 0.00 H new ATOM 0 HB2 ALA B 4 15.602 9.613 10.838 1.00 0.00 H new ATOM 0 HB3 ALA B 4 15.407 9.222 12.563 1.00 0.00 H new ATOM 1142 N LYS B 5 18.781 8.905 13.189 1.00 0.00 N ATOM 1143 CA LYS B 5 19.447 9.027 14.494 1.00 0.00 C ATOM 1144 C LYS B 5 19.158 10.386 15.129 1.00 0.00 C ATOM 1145 O LYS B 5 19.043 11.391 14.424 1.00 0.00 O ATOM 1146 CB LYS B 5 20.951 8.710 14.375 1.00 0.00 C ATOM 1147 CG LYS B 5 21.739 9.683 13.483 1.00 0.00 C ATOM 1148 CD LYS B 5 23.217 9.270 13.407 1.00 0.00 C ATOM 1149 CE LYS B 5 23.996 10.243 12.517 1.00 0.00 C ATOM 1150 NZ LYS B 5 25.424 9.853 12.414 1.00 0.00 N1+ ATOM 0 H LYS B 5 19.059 9.634 12.532 1.00 0.00 H new ATOM 0 HA LYS B 5 19.034 8.282 15.174 1.00 0.00 H new ATOM 0 HB2 LYS B 5 21.390 8.715 15.373 1.00 0.00 H new ATOM 0 HB3 LYS B 5 21.067 7.701 13.980 1.00 0.00 H new ATOM 0 HG2 LYS B 5 21.308 9.698 12.482 1.00 0.00 H new ATOM 0 HG3 LYS B 5 21.658 10.695 13.880 1.00 0.00 H new ATOM 0 HD2 LYS B 5 23.650 9.256 14.407 1.00 0.00 H new ATOM 0 HD3 LYS B 5 23.299 8.258 13.010 1.00 0.00 H new ATOM 0 HE2 LYS B 5 23.550 10.266 11.523 1.00 0.00 H new ATOM 0 HE3 LYS B 5 23.920 11.251 12.924 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 25.926 10.530 11.805 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 25.854 9.855 13.361 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 25.495 8.900 12.003 1.00 0.00 H new ATOM 1164 N VAL B 6 19.026 10.416 16.455 1.00 0.00 N ATOM 1165 CA VAL B 6 18.776 11.627 17.254 1.00 0.00 C ATOM 1166 C VAL B 6 20.083 12.122 17.878 1.00 0.00 C ATOM 1167 O VAL B 6 20.901 11.304 18.299 1.00 0.00 O ATOM 1168 CB VAL B 6 17.698 11.360 18.326 1.00 0.00 C ATOM 1169 CG1 VAL B 6 17.525 12.516 19.320 1.00 0.00 C ATOM 1170 CG2 VAL B 6 16.323 11.109 17.689 1.00 0.00 C ATOM 0 H VAL B 6 19.091 9.573 17.026 1.00 0.00 H new ATOM 0 HA VAL B 6 18.396 12.412 16.600 1.00 0.00 H new ATOM 0 HB VAL B 6 18.055 10.479 18.859 1.00 0.00 H new ATOM 0 HG11 VAL B 6 16.752 12.260 20.045 1.00 0.00 H new ATOM 0 HG12 VAL B 6 18.466 12.692 19.841 1.00 0.00 H new ATOM 0 HG13 VAL B 6 17.234 13.418 18.782 1.00 0.00 H new ATOM 0 HG21 VAL B 6 15.587 10.924 18.472 1.00 0.00 H new ATOM 0 HG22 VAL B 6 16.025 11.983 17.110 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.379 10.241 17.032 1.00 0.00 H new ATOM 1180 N VAL B 7 20.262 13.444 17.983 1.00 0.00 N ATOM 1181 CA VAL B 7 21.386 14.103 18.677 1.00 0.00 C ATOM 1182 C VAL B 7 20.902 15.274 19.547 1.00 0.00 C ATOM 1183 O VAL B 7 20.004 16.025 19.157 1.00 0.00 O ATOM 1184 CB VAL B 7 22.503 14.504 17.686 1.00 0.00 C ATOM 1185 CG1 VAL B 7 22.043 15.493 16.606 1.00 0.00 C ATOM 1186 CG2 VAL B 7 23.720 15.109 18.397 1.00 0.00 C ATOM 0 H VAL B 7 19.608 14.112 17.574 1.00 0.00 H new ATOM 0 HA VAL B 7 21.831 13.381 19.362 1.00 0.00 H new ATOM 0 HB VAL B 7 22.778 13.566 17.204 1.00 0.00 H new ATOM 0 HG11 VAL B 7 22.880 15.728 15.948 1.00 0.00 H new ATOM 0 HG12 VAL B 7 21.237 15.047 16.023 1.00 0.00 H new ATOM 0 HG13 VAL B 7 21.685 16.408 17.079 1.00 0.00 H new ATOM 0 HG21 VAL B 7 24.477 15.375 17.659 1.00 0.00 H new ATOM 0 HG22 VAL B 7 23.416 16.002 18.943 1.00 0.00 H new ATOM 0 HG23 VAL B 7 24.133 14.381 19.095 1.00 0.00 H new ATOM 1196 N LEU B 8 21.496 15.424 20.736 1.00 0.00 N ATOM 1197 CA LEU B 8 21.150 16.438 21.745 1.00 0.00 C ATOM 1198 C LEU B 8 22.359 16.867 22.595 1.00 0.00 C ATOM 1199 O LEU B 8 23.322 16.109 22.753 1.00 0.00 O ATOM 1200 CB LEU B 8 19.980 15.920 22.607 1.00 0.00 C ATOM 1201 CG LEU B 8 20.309 14.736 23.545 1.00 0.00 C ATOM 1202 CD1 LEU B 8 20.675 15.187 24.966 1.00 0.00 C ATOM 1203 CD2 LEU B 8 19.094 13.816 23.657 1.00 0.00 C ATOM 0 H LEU B 8 22.261 14.820 21.036 1.00 0.00 H new ATOM 0 HA LEU B 8 20.832 17.344 21.229 1.00 0.00 H new ATOM 0 HB2 LEU B 8 19.606 16.746 23.212 1.00 0.00 H new ATOM 0 HB3 LEU B 8 19.170 15.619 21.943 1.00 0.00 H new ATOM 0 HG LEU B 8 21.167 14.226 23.108 1.00 0.00 H new ATOM 0 HD11 LEU B 8 20.896 14.313 25.579 1.00 0.00 H new ATOM 0 HD12 LEU B 8 21.551 15.835 24.928 1.00 0.00 H new ATOM 0 HD13 LEU B 8 19.838 15.734 25.401 1.00 0.00 H new ATOM 0 HD21 LEU B 8 19.329 12.982 24.319 1.00 0.00 H new ATOM 0 HD22 LEU B 8 18.251 14.375 24.063 1.00 0.00 H new ATOM 0 HD23 LEU B 8 18.835 13.434 22.670 1.00 0.00 H new ATOM 1215 N THR B 9 22.283 18.066 23.188 1.00 0.00 N ATOM 1216 CA THR B 9 23.312 18.637 24.086 1.00 0.00 C ATOM 1217 C THR B 9 22.798 18.730 25.529 1.00 0.00 C ATOM 1218 O THR B 9 21.679 19.199 25.766 1.00 0.00 O ATOM 1219 CB THR B 9 23.790 20.017 23.593 1.00 0.00 C ATOM 1220 OG1 THR B 9 24.121 19.985 22.216 1.00 0.00 O ATOM 1221 CG2 THR B 9 25.048 20.490 24.316 1.00 0.00 C ATOM 0 H THR B 9 21.485 18.687 23.057 1.00 0.00 H new ATOM 0 HA THR B 9 24.166 17.960 24.070 1.00 0.00 H new ATOM 0 HB THR B 9 22.958 20.693 23.791 1.00 0.00 H new ATOM 0 HG1 THR B 9 24.419 20.874 21.930 1.00 0.00 H new ATOM 0 HG21 THR B 9 25.343 21.466 23.932 1.00 0.00 H new ATOM 0 HG22 THR B 9 24.847 20.566 25.385 1.00 0.00 H new ATOM 0 HG23 THR B 9 25.854 19.776 24.149 1.00 0.00 H new ATOM 1229 N LYS B 10 23.601 18.287 26.498 1.00 0.00 N ATOM 1230 CA LYS B 10 23.302 18.327 27.943 1.00 0.00 C ATOM 1231 C LYS B 10 23.635 19.685 28.571 1.00 0.00 C ATOM 1232 O LYS B 10 24.483 20.418 28.062 1.00 0.00 O ATOM 1233 CB LYS B 10 24.103 17.225 28.664 1.00 0.00 C ATOM 1234 CG LYS B 10 23.764 15.810 28.164 1.00 0.00 C ATOM 1235 CD LYS B 10 24.334 14.740 29.106 1.00 0.00 C ATOM 1236 CE LYS B 10 25.870 14.721 29.115 1.00 0.00 C ATOM 1237 NZ LYS B 10 26.391 13.781 30.141 1.00 0.00 N1+ ATOM 0 H LYS B 10 24.512 17.874 26.298 1.00 0.00 H new ATOM 0 HA LYS B 10 22.231 18.163 28.059 1.00 0.00 H new ATOM 0 HB2 LYS B 10 25.168 17.408 28.525 1.00 0.00 H new ATOM 0 HB3 LYS B 10 23.907 17.283 29.735 1.00 0.00 H new ATOM 0 HG2 LYS B 10 22.682 15.696 28.091 1.00 0.00 H new ATOM 0 HG3 LYS B 10 24.168 15.669 27.161 1.00 0.00 H new ATOM 0 HD2 LYS B 10 23.970 14.920 30.118 1.00 0.00 H new ATOM 0 HD3 LYS B 10 23.964 13.760 28.804 1.00 0.00 H new ATOM 0 HE2 LYS B 10 26.238 14.430 28.131 1.00 0.00 H new ATOM 0 HE3 LYS B 10 26.247 15.724 29.313 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 27.431 13.790 30.124 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 26.058 14.074 31.082 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 26.049 12.820 29.937 1.00 0.00 H new ATOM 1251 N ALA B 11 23.071 19.959 29.749 1.00 0.00 N ATOM 1252 CA ALA B 11 23.446 21.110 30.586 1.00 0.00 C ATOM 1253 C ALA B 11 24.921 21.071 31.067 1.00 0.00 C ATOM 1254 O ALA B 11 25.508 22.108 31.381 1.00 0.00 O ATOM 1255 CB ALA B 11 22.484 21.165 31.781 1.00 0.00 C ATOM 0 H ALA B 11 22.333 19.385 30.157 1.00 0.00 H new ATOM 0 HA ALA B 11 23.365 22.012 29.979 1.00 0.00 H new ATOM 0 HB1 ALA B 11 22.742 22.011 32.417 1.00 0.00 H new ATOM 0 HB2 ALA B 11 21.462 21.281 31.420 1.00 0.00 H new ATOM 0 HB3 ALA B 11 22.564 20.242 32.355 1.00 0.00 H new ATOM 1261 N ASP B 12 25.534 19.883 31.081 1.00 0.00 N ATOM 1262 CA ASP B 12 26.971 19.669 31.351 1.00 0.00 C ATOM 1263 C ASP B 12 27.904 20.168 30.219 1.00 0.00 C ATOM 1264 O ASP B 12 29.128 20.195 30.382 1.00 0.00 O ATOM 1265 CB ASP B 12 27.230 18.168 31.585 1.00 0.00 C ATOM 1266 CG ASP B 12 26.446 17.543 32.750 1.00 0.00 C ATOM 1267 OD1 ASP B 12 26.104 18.254 33.729 1.00 0.00 O ATOM 1268 OD2 ASP B 12 26.195 16.313 32.702 1.00 0.00 O1- ATOM 0 H ASP B 12 25.034 19.013 30.900 1.00 0.00 H new ATOM 0 HA ASP B 12 27.206 20.259 32.237 1.00 0.00 H new ATOM 0 HB2 ASP B 12 26.985 17.627 30.671 1.00 0.00 H new ATOM 0 HB3 ASP B 12 28.295 18.023 31.766 1.00 0.00 H new ATOM 1273 N GLY B 13 27.350 20.531 29.054 1.00 0.00 N ATOM 1274 CA GLY B 13 28.090 20.892 27.833 1.00 0.00 C ATOM 1275 C GLY B 13 28.514 19.692 26.967 1.00 0.00 C ATOM 1276 O GLY B 13 28.980 19.888 25.838 1.00 0.00 O ATOM 0 H GLY B 13 26.339 20.584 28.930 1.00 0.00 H new ATOM 0 HA2 GLY B 13 27.471 21.558 27.231 1.00 0.00 H new ATOM 0 HA3 GLY B 13 28.981 21.453 28.115 1.00 0.00 H new ATOM 1280 N GLY B 14 28.338 18.460 27.454 1.00 0.00 N ATOM 1281 CA GLY B 14 28.505 17.220 26.682 1.00 0.00 C ATOM 1282 C GLY B 14 27.325 16.937 25.743 1.00 0.00 C ATOM 1283 O GLY B 14 26.281 17.594 25.811 1.00 0.00 O ATOM 0 H GLY B 14 28.068 18.291 28.423 1.00 0.00 H new ATOM 0 HA2 GLY B 14 29.422 17.284 26.096 1.00 0.00 H new ATOM 0 HA3 GLY B 14 28.624 16.383 27.370 1.00 0.00 H new ATOM 1287 N ARG B 15 27.474 15.940 24.862 1.00 0.00 N ATOM 1288 CA ARG B 15 26.453 15.532 23.875 1.00 0.00 C ATOM 1289 C ARG B 15 26.123 14.036 23.936 1.00 0.00 C ATOM 1290 O ARG B 15 26.943 13.211 24.354 1.00 0.00 O ATOM 1291 CB ARG B 15 26.874 15.965 22.458 1.00 0.00 C ATOM 1292 CG ARG B 15 26.656 17.473 22.275 1.00 0.00 C ATOM 1293 CD ARG B 15 26.978 17.949 20.856 1.00 0.00 C ATOM 1294 NE ARG B 15 26.481 19.323 20.665 1.00 0.00 N ATOM 1295 CZ ARG B 15 26.859 20.212 19.773 1.00 0.00 C ATOM 1296 NH1 ARG B 15 27.796 19.977 18.899 1.00 0.00 N1+ ATOM 1297 NH2 ARG B 15 26.289 21.381 19.752 1.00 0.00 N ATOM 0 H ARG B 15 28.324 15.379 24.810 1.00 0.00 H new ATOM 0 HA ARG B 15 25.529 16.048 24.137 1.00 0.00 H new ATOM 0 HB2 ARG B 15 27.923 15.720 22.292 1.00 0.00 H new ATOM 0 HB3 ARG B 15 26.296 15.414 21.715 1.00 0.00 H new ATOM 0 HG2 ARG B 15 25.620 17.717 22.509 1.00 0.00 H new ATOM 0 HG3 ARG B 15 27.280 18.015 22.986 1.00 0.00 H new ATOM 0 HD2 ARG B 15 28.054 17.915 20.687 1.00 0.00 H new ATOM 0 HD3 ARG B 15 26.519 17.282 20.126 1.00 0.00 H new ATOM 0 HE ARG B 15 25.749 19.623 21.308 1.00 0.00 H new ATOM 0 HH11 ARG B 15 28.269 19.073 18.889 1.00 0.00 H new ATOM 0 HH12 ARG B 15 28.057 20.697 18.225 1.00 0.00 H new ATOM 0 HH21 ARG B 15 25.555 21.602 20.424 1.00 0.00 H new ATOM 0 HH22 ARG B 15 26.576 22.076 19.063 1.00 0.00 H new ATOM 1311 N VAL B 16 24.900 13.709 23.514 1.00 0.00 N ATOM 1312 CA VAL B 16 24.300 12.361 23.530 1.00 0.00 C ATOM 1313 C VAL B 16 23.651 12.077 22.169 1.00 0.00 C ATOM 1314 O VAL B 16 23.069 12.967 21.548 1.00 0.00 O ATOM 1315 CB VAL B 16 23.286 12.231 24.686 1.00 0.00 C ATOM 1316 CG1 VAL B 16 22.501 10.910 24.676 1.00 0.00 C ATOM 1317 CG2 VAL B 16 23.978 12.355 26.054 1.00 0.00 C ATOM 0 H VAL B 16 24.264 14.408 23.131 1.00 0.00 H new ATOM 0 HA VAL B 16 25.078 11.617 23.702 1.00 0.00 H new ATOM 0 HB VAL B 16 22.584 13.050 24.528 1.00 0.00 H new ATOM 0 HG11 VAL B 16 21.809 10.892 25.518 1.00 0.00 H new ATOM 0 HG12 VAL B 16 21.942 10.826 23.744 1.00 0.00 H new ATOM 0 HG13 VAL B 16 23.195 10.074 24.759 1.00 0.00 H new ATOM 0 HG21 VAL B 16 23.236 12.259 26.847 1.00 0.00 H new ATOM 0 HG22 VAL B 16 24.724 11.567 26.157 1.00 0.00 H new ATOM 0 HG23 VAL B 16 24.465 13.327 26.129 1.00 0.00 H new ATOM 1327 N GLU B 17 23.724 10.825 21.718 1.00 0.00 N ATOM 1328 CA GLU B 17 23.118 10.340 20.472 1.00 0.00 C ATOM 1329 C GLU B 17 22.329 9.037 20.690 1.00 0.00 C ATOM 1330 O GLU B 17 22.702 8.210 21.529 1.00 0.00 O ATOM 1331 CB GLU B 17 24.191 10.120 19.390 1.00 0.00 C ATOM 1332 CG GLU B 17 24.908 11.407 18.966 1.00 0.00 C ATOM 1333 CD GLU B 17 25.891 11.189 17.798 1.00 0.00 C ATOM 1334 OE1 GLU B 17 26.081 12.125 16.985 1.00 0.00 O ATOM 1335 OE2 GLU B 17 26.501 10.099 17.683 1.00 0.00 O1- ATOM 0 H GLU B 17 24.223 10.094 22.225 1.00 0.00 H new ATOM 0 HA GLU B 17 22.422 11.109 20.137 1.00 0.00 H new ATOM 0 HB2 GLU B 17 24.929 9.408 19.761 1.00 0.00 H new ATOM 0 HB3 GLU B 17 23.725 9.668 18.514 1.00 0.00 H new ATOM 0 HG2 GLU B 17 24.166 12.151 18.676 1.00 0.00 H new ATOM 0 HG3 GLU B 17 25.450 11.813 19.820 1.00 0.00 H new ATOM 1342 N ILE B 18 21.266 8.829 19.901 1.00 0.00 N ATOM 1343 CA ILE B 18 20.472 7.589 19.863 1.00 0.00 C ATOM 1344 C ILE B 18 20.330 7.127 18.407 1.00 0.00 C ATOM 1345 O ILE B 18 19.786 7.856 17.579 1.00 0.00 O ATOM 1346 CB ILE B 18 19.080 7.760 20.539 1.00 0.00 C ATOM 1347 CG1 ILE B 18 19.155 8.329 21.974 1.00 0.00 C ATOM 1348 CG2 ILE B 18 18.352 6.405 20.597 1.00 0.00 C ATOM 1349 CD1 ILE B 18 18.875 9.835 22.012 1.00 0.00 C ATOM 0 H ILE B 18 20.923 9.538 19.252 1.00 0.00 H new ATOM 0 HA ILE B 18 20.997 6.826 20.437 1.00 0.00 H new ATOM 0 HB ILE B 18 18.537 8.478 19.925 1.00 0.00 H new ATOM 0 HG12 ILE B 18 18.435 7.811 22.607 1.00 0.00 H new ATOM 0 HG13 ILE B 18 20.144 8.134 22.390 1.00 0.00 H new ATOM 0 HG21 ILE B 18 17.379 6.535 21.071 1.00 0.00 H new ATOM 0 HG22 ILE B 18 18.214 6.022 19.586 1.00 0.00 H new ATOM 0 HG23 ILE B 18 18.946 5.697 21.175 1.00 0.00 H new ATOM 0 HD11 ILE B 18 18.938 10.191 23.040 1.00 0.00 H new ATOM 0 HD12 ILE B 18 19.611 10.357 21.401 1.00 0.00 H new ATOM 0 HD13 ILE B 18 17.876 10.029 21.622 1.00 0.00 H new ATOM 1361 N GLY B 19 20.818 5.926 18.099 1.00 0.00 N ATOM 1362 CA GLY B 19 20.659 5.263 16.795 1.00 0.00 C ATOM 1363 C GLY B 19 19.464 4.300 16.748 1.00 0.00 C ATOM 1364 O GLY B 19 18.862 3.990 17.778 1.00 0.00 O ATOM 0 H GLY B 19 21.351 5.367 18.765 1.00 0.00 H new ATOM 0 HA2 GLY B 19 20.537 6.021 16.022 1.00 0.00 H new ATOM 0 HA3 GLY B 19 21.570 4.713 16.561 1.00 0.00 H new ATOM 1368 N ASP B 20 19.132 3.800 15.555 1.00 0.00 N ATOM 1369 CA ASP B 20 18.032 2.843 15.309 1.00 0.00 C ATOM 1370 C ASP B 20 16.663 3.322 15.857 1.00 0.00 C ATOM 1371 O ASP B 20 15.907 2.576 16.492 1.00 0.00 O ATOM 1372 CB ASP B 20 18.422 1.422 15.764 1.00 0.00 C ATOM 1373 CG ASP B 20 19.761 0.916 15.196 1.00 0.00 C ATOM 1374 OD1 ASP B 20 20.179 1.337 14.090 1.00 0.00 O ATOM 1375 OD2 ASP B 20 20.398 0.055 15.845 1.00 0.00 O1- ATOM 0 H ASP B 20 19.632 4.053 14.703 1.00 0.00 H new ATOM 0 HA ASP B 20 17.881 2.797 14.230 1.00 0.00 H new ATOM 0 HB2 ASP B 20 18.473 1.404 16.853 1.00 0.00 H new ATOM 0 HB3 ASP B 20 17.632 0.730 15.470 1.00 0.00 H new ATOM 1380 N VAL B 21 16.368 4.608 15.641 1.00 0.00 N ATOM 1381 CA VAL B 21 15.171 5.303 16.137 1.00 0.00 C ATOM 1382 C VAL B 21 13.947 5.026 15.260 1.00 0.00 C ATOM 1383 O VAL B 21 13.939 5.347 14.071 1.00 0.00 O ATOM 1384 CB VAL B 21 15.453 6.809 16.262 1.00 0.00 C ATOM 1385 CG1 VAL B 21 14.201 7.607 16.624 1.00 0.00 C ATOM 1386 CG2 VAL B 21 16.507 7.053 17.351 1.00 0.00 C ATOM 0 H VAL B 21 16.978 5.218 15.096 1.00 0.00 H new ATOM 0 HA VAL B 21 14.934 4.913 17.127 1.00 0.00 H new ATOM 0 HB VAL B 21 15.809 7.145 15.288 1.00 0.00 H new ATOM 0 HG11 VAL B 21 14.453 8.665 16.700 1.00 0.00 H new ATOM 0 HG12 VAL B 21 13.445 7.469 15.851 1.00 0.00 H new ATOM 0 HG13 VAL B 21 13.810 7.257 17.580 1.00 0.00 H new ATOM 0 HG21 VAL B 21 16.703 8.122 17.435 1.00 0.00 H new ATOM 0 HG22 VAL B 21 16.139 6.676 18.305 1.00 0.00 H new ATOM 0 HG23 VAL B 21 17.429 6.535 17.087 1.00 0.00 H new ATOM 1396 N LEU B 22 12.892 4.475 15.868 1.00 0.00 N ATOM 1397 CA LEU B 22 11.578 4.268 15.244 1.00 0.00 C ATOM 1398 C LEU B 22 10.680 5.516 15.304 1.00 0.00 C ATOM 1399 O LEU B 22 9.870 5.718 14.397 1.00 0.00 O ATOM 1400 CB LEU B 22 10.848 3.111 15.950 1.00 0.00 C ATOM 1401 CG LEU B 22 11.462 1.711 15.773 1.00 0.00 C ATOM 1402 CD1 LEU B 22 10.636 0.712 16.588 1.00 0.00 C ATOM 1403 CD2 LEU B 22 11.435 1.235 14.319 1.00 0.00 C ATOM 0 H LEU B 22 12.928 4.151 16.835 1.00 0.00 H new ATOM 0 HA LEU B 22 11.764 4.040 14.194 1.00 0.00 H new ATOM 0 HB2 LEU B 22 10.804 3.333 17.016 1.00 0.00 H new ATOM 0 HB3 LEU B 22 9.820 3.083 15.588 1.00 0.00 H new ATOM 0 HG LEU B 22 12.500 1.769 16.102 1.00 0.00 H new ATOM 0 HD11 LEU B 22 11.057 -0.287 16.474 1.00 0.00 H new ATOM 0 HD12 LEU B 22 10.656 0.996 17.640 1.00 0.00 H new ATOM 0 HD13 LEU B 22 9.606 0.714 16.231 1.00 0.00 H new ATOM 0 HD21 LEU B 22 11.880 0.242 14.253 1.00 0.00 H new ATOM 0 HD22 LEU B 22 10.404 1.194 13.969 1.00 0.00 H new ATOM 0 HD23 LEU B 22 12.002 1.929 13.698 1.00 0.00 H new ATOM 1415 N GLU B 23 10.788 6.337 16.355 1.00 0.00 N ATOM 1416 CA GLU B 23 9.868 7.460 16.595 1.00 0.00 C ATOM 1417 C GLU B 23 10.494 8.547 17.483 1.00 0.00 C ATOM 1418 O GLU B 23 11.289 8.237 18.370 1.00 0.00 O ATOM 1419 CB GLU B 23 8.565 6.929 17.234 1.00 0.00 C ATOM 1420 CG GLU B 23 7.376 7.899 17.171 1.00 0.00 C ATOM 1421 CD GLU B 23 6.186 7.445 18.035 1.00 0.00 C ATOM 1422 OE1 GLU B 23 6.084 6.251 18.410 1.00 0.00 O ATOM 1423 OE2 GLU B 23 5.338 8.296 18.372 1.00 0.00 O1- ATOM 0 H GLU B 23 11.515 6.243 17.064 1.00 0.00 H new ATOM 0 HA GLU B 23 9.648 7.924 15.633 1.00 0.00 H new ATOM 0 HB2 GLU B 23 8.285 6.000 16.737 1.00 0.00 H new ATOM 0 HB3 GLU B 23 8.762 6.685 18.278 1.00 0.00 H new ATOM 0 HG2 GLU B 23 7.701 8.886 17.499 1.00 0.00 H new ATOM 0 HG3 GLU B 23 7.050 7.999 16.136 1.00 0.00 H new ATOM 1430 N VAL B 24 10.096 9.808 17.284 1.00 0.00 N ATOM 1431 CA VAL B 24 10.421 10.951 18.164 1.00 0.00 C ATOM 1432 C VAL B 24 9.153 11.763 18.446 1.00 0.00 C ATOM 1433 O VAL B 24 8.322 11.943 17.553 1.00 0.00 O ATOM 1434 CB VAL B 24 11.533 11.836 17.565 1.00 0.00 C ATOM 1435 CG1 VAL B 24 11.974 12.958 18.510 1.00 0.00 C ATOM 1436 CG2 VAL B 24 12.779 11.014 17.230 1.00 0.00 C ATOM 0 H VAL B 24 9.522 10.076 16.485 1.00 0.00 H new ATOM 0 HA VAL B 24 10.806 10.561 19.106 1.00 0.00 H new ATOM 0 HB VAL B 24 11.097 12.269 16.665 1.00 0.00 H new ATOM 0 HG11 VAL B 24 12.758 13.547 18.034 1.00 0.00 H new ATOM 0 HG12 VAL B 24 11.123 13.601 18.734 1.00 0.00 H new ATOM 0 HG13 VAL B 24 12.356 12.526 19.435 1.00 0.00 H new ATOM 0 HG21 VAL B 24 13.544 11.667 16.810 1.00 0.00 H new ATOM 0 HG22 VAL B 24 13.161 10.545 18.137 1.00 0.00 H new ATOM 0 HG23 VAL B 24 12.522 10.243 16.504 1.00 0.00 H new ATOM 1446 N ARG B 25 8.991 12.263 19.676 1.00 0.00 N ATOM 1447 CA ARG B 25 7.831 13.053 20.143 1.00 0.00 C ATOM 1448 C ARG B 25 8.314 14.272 20.924 1.00 0.00 C ATOM 1449 O ARG B 25 9.190 14.127 21.770 1.00 0.00 O ATOM 1450 CB ARG B 25 6.921 12.203 21.057 1.00 0.00 C ATOM 1451 CG ARG B 25 6.557 10.817 20.510 1.00 0.00 C ATOM 1452 CD ARG B 25 5.730 10.020 21.532 1.00 0.00 C ATOM 1453 NE ARG B 25 5.649 8.603 21.123 1.00 0.00 N ATOM 1454 CZ ARG B 25 6.006 7.538 21.817 1.00 0.00 C ATOM 1455 NH1 ARG B 25 6.312 7.570 23.080 1.00 0.00 N1+ ATOM 1456 NH2 ARG B 25 6.096 6.373 21.253 1.00 0.00 N ATOM 0 H ARG B 25 9.689 12.127 20.408 1.00 0.00 H new ATOM 0 HA ARG B 25 7.263 13.370 19.268 1.00 0.00 H new ATOM 0 HB2 ARG B 25 7.416 12.077 22.020 1.00 0.00 H new ATOM 0 HB3 ARG B 25 6.000 12.756 21.242 1.00 0.00 H new ATOM 0 HG2 ARG B 25 5.992 10.925 19.584 1.00 0.00 H new ATOM 0 HG3 ARG B 25 7.467 10.268 20.266 1.00 0.00 H new ATOM 0 HD2 ARG B 25 6.186 10.096 22.519 1.00 0.00 H new ATOM 0 HD3 ARG B 25 4.728 10.442 21.610 1.00 0.00 H new ATOM 0 HE ARG B 25 5.272 8.426 20.192 1.00 0.00 H new ATOM 0 HH11 ARG B 25 6.284 8.453 23.589 1.00 0.00 H new ATOM 0 HH12 ARG B 25 6.580 6.712 23.562 1.00 0.00 H new ATOM 0 HH21 ARG B 25 5.890 6.270 20.259 1.00 0.00 H new ATOM 0 HH22 ARG B 25 6.373 5.560 21.803 1.00 0.00 H new ATOM 1470 N ALA B 26 7.740 15.456 20.699 1.00 0.00 N ATOM 1471 CA ALA B 26 8.106 16.696 21.381 1.00 0.00 C ATOM 1472 C ALA B 26 6.952 17.215 22.252 1.00 0.00 C ATOM 1473 O ALA B 26 5.785 17.242 21.852 1.00 0.00 O ATOM 1474 CB ALA B 26 8.568 17.727 20.342 1.00 0.00 C ATOM 0 H ALA B 26 6.989 15.580 20.020 1.00 0.00 H new ATOM 0 HA ALA B 26 8.935 16.505 22.063 1.00 0.00 H new ATOM 0 HB1 ALA B 26 8.842 18.654 20.846 1.00 0.00 H new ATOM 0 HB2 ALA B 26 9.432 17.338 19.803 1.00 0.00 H new ATOM 0 HB3 ALA B 26 7.759 17.922 19.638 1.00 0.00 H new ATOM 1509 N ALA B 30 9.410 17.532 27.967 1.00 0.00 N ATOM 1510 CA ALA B 30 10.494 16.668 27.496 1.00 0.00 C ATOM 1511 C ALA B 30 10.271 16.151 26.067 1.00 0.00 C ATOM 1512 O ALA B 30 9.142 15.837 25.682 1.00 0.00 O ATOM 1513 CB ALA B 30 10.614 15.473 28.456 1.00 0.00 C ATOM 0 HA ALA B 30 11.408 17.261 27.478 1.00 0.00 H new ATOM 0 HB1 ALA B 30 11.417 14.817 28.121 1.00 0.00 H new ATOM 0 HB2 ALA B 30 10.835 15.834 29.460 1.00 0.00 H new ATOM 0 HB3 ALA B 30 9.675 14.920 28.468 1.00 0.00 H new ATOM 1519 N VAL B 31 11.358 15.947 25.315 1.00 0.00 N ATOM 1520 CA VAL B 31 11.351 15.147 24.074 1.00 0.00 C ATOM 1521 C VAL B 31 11.481 13.666 24.429 1.00 0.00 C ATOM 1522 O VAL B 31 12.282 13.308 25.291 1.00 0.00 O ATOM 1523 CB VAL B 31 12.463 15.586 23.104 1.00 0.00 C ATOM 1524 CG1 VAL B 31 12.612 14.646 21.895 1.00 0.00 C ATOM 1525 CG2 VAL B 31 12.172 16.987 22.568 1.00 0.00 C ATOM 0 H VAL B 31 12.274 16.332 25.547 1.00 0.00 H new ATOM 0 HA VAL B 31 10.405 15.312 23.558 1.00 0.00 H new ATOM 0 HB VAL B 31 13.389 15.562 23.679 1.00 0.00 H new ATOM 0 HG11 VAL B 31 13.411 15.009 21.249 1.00 0.00 H new ATOM 0 HG12 VAL B 31 12.854 13.642 22.243 1.00 0.00 H new ATOM 0 HG13 VAL B 31 11.677 14.621 21.336 1.00 0.00 H new ATOM 0 HG21 VAL B 31 12.965 17.287 21.883 1.00 0.00 H new ATOM 0 HG22 VAL B 31 11.219 16.984 22.040 1.00 0.00 H new ATOM 0 HG23 VAL B 31 12.124 17.692 23.398 1.00 0.00 H new ATOM 1535 N ARG B 32 10.708 12.803 23.763 1.00 0.00 N ATOM 1536 CA ARG B 32 10.785 11.338 23.877 1.00 0.00 C ATOM 1537 C ARG B 32 11.262 10.709 22.567 1.00 0.00 C ATOM 1538 O ARG B 32 11.008 11.248 21.492 1.00 0.00 O ATOM 1539 CB ARG B 32 9.429 10.738 24.300 1.00 0.00 C ATOM 1540 CG ARG B 32 9.053 10.919 25.778 1.00 0.00 C ATOM 1541 CD ARG B 32 8.822 12.374 26.211 1.00 0.00 C ATOM 1542 NE ARG B 32 8.015 12.433 27.441 1.00 0.00 N ATOM 1543 CZ ARG B 32 7.137 13.371 27.751 1.00 0.00 C ATOM 1544 NH1 ARG B 32 7.045 14.488 27.105 1.00 0.00 N1+ ATOM 1545 NH2 ARG B 32 6.305 13.214 28.733 1.00 0.00 N ATOM 0 H ARG B 32 9.988 13.111 23.109 1.00 0.00 H new ATOM 0 HA ARG B 32 11.515 11.108 24.653 1.00 0.00 H new ATOM 0 HB2 ARG B 32 8.647 11.187 23.688 1.00 0.00 H new ATOM 0 HB3 ARG B 32 9.438 9.672 24.074 1.00 0.00 H new ATOM 0 HG2 ARG B 32 8.148 10.347 25.981 1.00 0.00 H new ATOM 0 HG3 ARG B 32 9.844 10.493 26.394 1.00 0.00 H new ATOM 0 HD2 ARG B 32 9.781 12.865 26.376 1.00 0.00 H new ATOM 0 HD3 ARG B 32 8.318 12.920 25.413 1.00 0.00 H new ATOM 0 HE ARG B 32 8.146 11.680 28.117 1.00 0.00 H new ATOM 0 HH11 ARG B 32 7.667 14.675 26.318 1.00 0.00 H new ATOM 0 HH12 ARG B 32 6.351 15.182 27.382 1.00 0.00 H new ATOM 0 HH21 ARG B 32 6.321 12.355 29.282 1.00 0.00 H new ATOM 0 HH22 ARG B 32 5.635 13.950 28.956 1.00 0.00 H new ATOM 1559 N VAL B 33 11.919 9.552 22.659 1.00 0.00 N ATOM 1560 CA VAL B 33 12.459 8.781 21.516 1.00 0.00 C ATOM 1561 C VAL B 33 12.153 7.294 21.701 1.00 0.00 C ATOM 1562 O VAL B 33 12.255 6.788 22.815 1.00 0.00 O ATOM 1563 CB VAL B 33 13.980 9.006 21.362 1.00 0.00 C ATOM 1564 CG1 VAL B 33 14.566 8.317 20.125 1.00 0.00 C ATOM 1565 CG2 VAL B 33 14.367 10.490 21.299 1.00 0.00 C ATOM 0 H VAL B 33 12.101 9.103 23.557 1.00 0.00 H new ATOM 0 HA VAL B 33 11.977 9.133 20.604 1.00 0.00 H new ATOM 0 HB VAL B 33 14.401 8.559 22.263 1.00 0.00 H new ATOM 0 HG11 VAL B 33 15.637 8.512 20.073 1.00 0.00 H new ATOM 0 HG12 VAL B 33 14.396 7.242 20.192 1.00 0.00 H new ATOM 0 HG13 VAL B 33 14.082 8.705 19.229 1.00 0.00 H new ATOM 0 HG21 VAL B 33 15.448 10.580 21.191 1.00 0.00 H new ATOM 0 HG22 VAL B 33 13.877 10.958 20.445 1.00 0.00 H new ATOM 0 HG23 VAL B 33 14.052 10.988 22.216 1.00 0.00 H new ATOM 1575 N THR B 34 11.813 6.576 20.628 1.00 0.00 N ATOM 1576 CA THR B 34 11.531 5.125 20.641 1.00 0.00 C ATOM 1577 C THR B 34 12.532 4.374 19.764 1.00 0.00 C ATOM 1578 O THR B 34 12.848 4.834 18.665 1.00 0.00 O ATOM 1579 CB THR B 34 10.100 4.837 20.152 1.00 0.00 C ATOM 1580 OG1 THR B 34 9.163 5.582 20.900 1.00 0.00 O ATOM 1581 CG2 THR B 34 9.702 3.364 20.281 1.00 0.00 C ATOM 0 H THR B 34 11.722 6.990 19.700 1.00 0.00 H new ATOM 0 HA THR B 34 11.627 4.779 21.670 1.00 0.00 H new ATOM 0 HB THR B 34 10.093 5.116 19.098 1.00 0.00 H new ATOM 0 HG1 THR B 34 8.316 5.091 20.945 1.00 0.00 H new ATOM 0 HG21 THR B 34 8.683 3.230 19.919 1.00 0.00 H new ATOM 0 HG22 THR B 34 10.381 2.750 19.689 1.00 0.00 H new ATOM 0 HG23 THR B 34 9.759 3.062 21.327 1.00 0.00 H new ATOM 1589 N THR B 35 13.012 3.211 20.209 1.00 0.00 N ATOM 1590 CA THR B 35 14.003 2.372 19.502 1.00 0.00 C ATOM 1591 C THR B 35 13.549 0.919 19.372 1.00 0.00 C ATOM 1592 O THR B 35 12.741 0.433 20.167 1.00 0.00 O ATOM 1593 CB THR B 35 15.388 2.461 20.166 1.00 0.00 C ATOM 1594 OG1 THR B 35 15.346 2.243 21.560 1.00 0.00 O ATOM 1595 CG2 THR B 35 16.031 3.829 19.980 1.00 0.00 C ATOM 0 H THR B 35 12.717 2.808 21.098 1.00 0.00 H new ATOM 0 HA THR B 35 14.085 2.771 18.491 1.00 0.00 H new ATOM 0 HB THR B 35 15.966 1.680 19.672 1.00 0.00 H new ATOM 0 HG1 THR B 35 15.598 3.066 22.028 1.00 0.00 H new ATOM 0 HG21 THR B 35 17.006 3.842 20.466 1.00 0.00 H new ATOM 0 HG22 THR B 35 16.153 4.032 18.916 1.00 0.00 H new ATOM 0 HG23 THR B 35 15.394 4.594 20.424 1.00 0.00 H new ATOM 1603 N LEU B 36 14.059 0.198 18.361 1.00 0.00 N ATOM 1604 CA LEU B 36 13.604 -1.158 17.988 1.00 0.00 C ATOM 1605 C LEU B 36 13.830 -2.274 19.033 1.00 0.00 C ATOM 1606 O LEU B 36 13.356 -3.396 18.850 1.00 0.00 O ATOM 1607 CB LEU B 36 14.143 -1.551 16.599 1.00 0.00 C ATOM 1608 CG LEU B 36 15.661 -1.459 16.344 1.00 0.00 C ATOM 1609 CD1 LEU B 36 16.545 -2.102 17.418 1.00 0.00 C ATOM 1610 CD2 LEU B 36 15.979 -2.159 15.022 1.00 0.00 C ATOM 0 H LEU B 36 14.813 0.544 17.767 1.00 0.00 H new ATOM 0 HA LEU B 36 12.518 -1.077 17.951 1.00 0.00 H new ATOM 0 HB2 LEU B 36 13.836 -2.578 16.403 1.00 0.00 H new ATOM 0 HB3 LEU B 36 13.644 -0.923 15.861 1.00 0.00 H new ATOM 0 HG LEU B 36 15.888 -0.393 16.342 1.00 0.00 H new ATOM 0 HD11 LEU B 36 17.594 -1.983 17.145 1.00 0.00 H new ATOM 0 HD12 LEU B 36 16.363 -1.618 18.377 1.00 0.00 H new ATOM 0 HD13 LEU B 36 16.308 -3.163 17.497 1.00 0.00 H new ATOM 0 HD21 LEU B 36 17.050 -2.102 14.828 1.00 0.00 H new ATOM 0 HD22 LEU B 36 15.676 -3.204 15.082 1.00 0.00 H new ATOM 0 HD23 LEU B 36 15.437 -1.670 14.212 1.00 0.00 H new ATOM 1622 N PHE B 37 14.494 -1.968 20.152 1.00 0.00 N ATOM 1623 CA PHE B 37 14.567 -2.830 21.341 1.00 0.00 C ATOM 1624 C PHE B 37 13.260 -2.839 22.172 1.00 0.00 C ATOM 1625 O PHE B 37 13.223 -3.411 23.265 1.00 0.00 O ATOM 1626 CB PHE B 37 15.777 -2.396 22.186 1.00 0.00 C ATOM 1627 CG PHE B 37 17.079 -2.266 21.401 1.00 0.00 C ATOM 1628 CD1 PHE B 37 17.666 -1.002 21.190 1.00 0.00 C ATOM 1629 CD2 PHE B 37 17.689 -3.413 20.854 1.00 0.00 C ATOM 1630 CE1 PHE B 37 18.848 -0.884 20.435 1.00 0.00 C ATOM 1631 CE2 PHE B 37 18.873 -3.293 20.105 1.00 0.00 C ATOM 1632 CZ PHE B 37 19.454 -2.031 19.894 1.00 0.00 C ATOM 0 H PHE B 37 15.008 -1.094 20.261 1.00 0.00 H new ATOM 0 HA PHE B 37 14.695 -3.861 21.010 1.00 0.00 H new ATOM 0 HB2 PHE B 37 15.552 -1.438 22.655 1.00 0.00 H new ATOM 0 HB3 PHE B 37 15.922 -3.118 22.989 1.00 0.00 H new ATOM 0 HD1 PHE B 37 17.206 -0.119 21.610 1.00 0.00 H new ATOM 0 HD2 PHE B 37 17.246 -4.386 21.010 1.00 0.00 H new ATOM 0 HE1 PHE B 37 19.289 0.088 20.271 1.00 0.00 H new ATOM 0 HE2 PHE B 37 19.338 -4.175 19.690 1.00 0.00 H new ATOM 0 HZ PHE B 37 20.363 -1.943 19.318 1.00 0.00 H new ATOM 1642 N ASP B 38 12.207 -2.169 21.685 1.00 0.00 N ATOM 1643 CA ASP B 38 10.995 -1.783 22.423 1.00 0.00 C ATOM 1644 C ASP B 38 11.285 -0.874 23.640 1.00 0.00 C ATOM 1645 O ASP B 38 10.516 -0.828 24.601 1.00 0.00 O ATOM 1646 CB ASP B 38 10.090 -2.996 22.743 1.00 0.00 C ATOM 1647 CG ASP B 38 9.728 -3.848 21.515 1.00 0.00 C ATOM 1648 OD1 ASP B 38 9.586 -3.309 20.390 1.00 0.00 O ATOM 1649 OD2 ASP B 38 9.503 -5.073 21.680 1.00 0.00 O1- ATOM 0 H ASP B 38 12.175 -1.865 20.712 1.00 0.00 H new ATOM 0 HA ASP B 38 10.411 -1.155 21.750 1.00 0.00 H new ATOM 0 HB2 ASP B 38 10.592 -3.628 23.475 1.00 0.00 H new ATOM 0 HB3 ASP B 38 9.171 -2.638 23.208 1.00 0.00 H new ATOM 1654 N GLU B 39 12.399 -0.138 23.600 1.00 0.00 N ATOM 1655 CA GLU B 39 12.772 0.861 24.608 1.00 0.00 C ATOM 1656 C GLU B 39 12.244 2.256 24.253 1.00 0.00 C ATOM 1657 O GLU B 39 12.046 2.612 23.084 1.00 0.00 O ATOM 1658 CB GLU B 39 14.297 0.896 24.793 1.00 0.00 C ATOM 1659 CG GLU B 39 14.840 -0.283 25.612 1.00 0.00 C ATOM 1660 CD GLU B 39 14.318 -0.350 27.064 1.00 0.00 C ATOM 1661 OE1 GLU B 39 14.346 -1.455 27.659 1.00 0.00 O ATOM 1662 OE2 GLU B 39 13.908 0.690 27.639 1.00 0.00 O1- ATOM 0 H GLU B 39 13.084 -0.221 22.848 1.00 0.00 H new ATOM 0 HA GLU B 39 12.308 0.564 25.549 1.00 0.00 H new ATOM 0 HB2 GLU B 39 14.774 0.898 23.813 1.00 0.00 H new ATOM 0 HB3 GLU B 39 14.574 1.828 25.285 1.00 0.00 H new ATOM 0 HG2 GLU B 39 14.581 -1.212 25.103 1.00 0.00 H new ATOM 0 HG3 GLU B 39 15.928 -0.223 25.633 1.00 0.00 H new ATOM 1669 N GLU B 40 12.068 3.069 25.293 1.00 0.00 N ATOM 1670 CA GLU B 40 11.694 4.482 25.199 1.00 0.00 C ATOM 1671 C GLU B 40 12.589 5.345 26.094 1.00 0.00 C ATOM 1672 O GLU B 40 12.855 5.023 27.256 1.00 0.00 O ATOM 1673 CB GLU B 40 10.206 4.698 25.519 1.00 0.00 C ATOM 1674 CG GLU B 40 9.296 4.200 24.389 1.00 0.00 C ATOM 1675 CD GLU B 40 7.803 4.500 24.650 1.00 0.00 C ATOM 1676 OE1 GLU B 40 7.106 4.995 23.727 1.00 0.00 O ATOM 1677 OE2 GLU B 40 7.304 4.240 25.773 1.00 0.00 O1- ATOM 0 H GLU B 40 12.185 2.754 26.256 1.00 0.00 H new ATOM 0 HA GLU B 40 11.849 4.796 24.167 1.00 0.00 H new ATOM 0 HB2 GLU B 40 9.955 4.177 26.443 1.00 0.00 H new ATOM 0 HB3 GLU B 40 10.023 5.759 25.691 1.00 0.00 H new ATOM 0 HG2 GLU B 40 9.598 4.668 23.452 1.00 0.00 H new ATOM 0 HG3 GLU B 40 9.430 3.125 24.267 1.00 0.00 H new ATOM 1684 N HIS B 41 13.052 6.456 25.530 1.00 0.00 N ATOM 1685 CA HIS B 41 13.979 7.420 26.129 1.00 0.00 C ATOM 1686 C HIS B 41 13.265 8.760 26.342 1.00 0.00 C ATOM 1687 O HIS B 41 12.326 9.070 25.602 1.00 0.00 O ATOM 1688 CB HIS B 41 15.211 7.589 25.219 1.00 0.00 C ATOM 1689 CG HIS B 41 15.773 6.299 24.660 1.00 0.00 C ATOM 1690 ND1 HIS B 41 16.629 5.421 25.334 1.00 0.00 N ATOM 1691 CD2 HIS B 41 15.463 5.762 23.443 1.00 0.00 C ATOM 1692 CE1 HIS B 41 16.810 4.375 24.504 1.00 0.00 C ATOM 1693 NE2 HIS B 41 16.103 4.544 23.371 1.00 0.00 N ATOM 0 H HIS B 41 12.776 6.727 24.586 1.00 0.00 H new ATOM 0 HA HIS B 41 14.316 7.053 27.099 1.00 0.00 H new ATOM 0 HB2 HIS B 41 14.944 8.242 24.388 1.00 0.00 H new ATOM 0 HB3 HIS B 41 15.994 8.095 25.783 1.00 0.00 H new ATOM 0 HD1 HIS B 41 17.033 5.547 26.262 1.00 0.00 H new ATOM 0 HD2 HIS B 41 14.837 6.206 22.684 1.00 0.00 H new ATOM 0 HE1 HIS B 41 17.435 3.521 24.718 1.00 0.00 H new ATOM 1701 N ALA B 42 13.710 9.570 27.305 1.00 0.00 N ATOM 1702 CA ALA B 42 13.119 10.878 27.600 1.00 0.00 C ATOM 1703 C ALA B 42 14.174 11.912 28.040 1.00 0.00 C ATOM 1704 O ALA B 42 15.074 11.607 28.830 1.00 0.00 O ATOM 1705 CB ALA B 42 12.016 10.711 28.656 1.00 0.00 C ATOM 0 H ALA B 42 14.498 9.335 27.908 1.00 0.00 H new ATOM 0 HA ALA B 42 12.680 11.271 26.683 1.00 0.00 H new ATOM 0 HB1 ALA B 42 11.574 11.683 28.878 1.00 0.00 H new ATOM 0 HB2 ALA B 42 11.246 10.041 28.275 1.00 0.00 H new ATOM 0 HB3 ALA B 42 12.444 10.291 29.566 1.00 0.00 H new ATOM 1711 N PHE B 43 14.044 13.141 27.532 1.00 0.00 N ATOM 1712 CA PHE B 43 15.028 14.221 27.660 1.00 0.00 C ATOM 1713 C PHE B 43 14.337 15.566 27.981 1.00 0.00 C ATOM 1714 O PHE B 43 13.828 16.230 27.070 1.00 0.00 O ATOM 1715 CB PHE B 43 15.862 14.279 26.371 1.00 0.00 C ATOM 1716 CG PHE B 43 16.503 12.958 25.990 1.00 0.00 C ATOM 1717 CD1 PHE B 43 17.621 12.481 26.706 1.00 0.00 C ATOM 1718 CD2 PHE B 43 15.947 12.178 24.959 1.00 0.00 C ATOM 1719 CE1 PHE B 43 18.183 11.234 26.383 1.00 0.00 C ATOM 1720 CE2 PHE B 43 16.515 10.928 24.640 1.00 0.00 C ATOM 1721 CZ PHE B 43 17.630 10.455 25.356 1.00 0.00 C ATOM 0 H PHE B 43 13.220 13.422 27.000 1.00 0.00 H new ATOM 0 HA PHE B 43 15.698 14.021 28.497 1.00 0.00 H new ATOM 0 HB2 PHE B 43 15.224 14.611 25.552 1.00 0.00 H new ATOM 0 HB3 PHE B 43 16.644 15.029 26.490 1.00 0.00 H new ATOM 0 HD1 PHE B 43 18.045 13.074 27.503 1.00 0.00 H new ATOM 0 HD2 PHE B 43 15.087 12.536 24.413 1.00 0.00 H new ATOM 0 HE1 PHE B 43 19.044 10.874 26.927 1.00 0.00 H new ATOM 0 HE2 PHE B 43 16.093 10.332 23.844 1.00 0.00 H new ATOM 0 HZ PHE B 43 18.059 9.494 25.115 1.00 0.00 H new ATOM 1731 N PRO B 44 14.278 15.971 29.265 1.00 0.00 N ATOM 1732 CA PRO B 44 13.629 17.210 29.704 1.00 0.00 C ATOM 1733 C PRO B 44 14.239 18.498 29.126 1.00 0.00 C ATOM 1734 O PRO B 44 15.448 18.584 28.889 1.00 0.00 O ATOM 1735 CB PRO B 44 13.685 17.201 31.239 1.00 0.00 C ATOM 1736 CG PRO B 44 13.761 15.718 31.575 1.00 0.00 C ATOM 1737 CD PRO B 44 14.620 15.170 30.435 1.00 0.00 C ATOM 0 HA PRO B 44 12.607 17.226 29.326 1.00 0.00 H new ATOM 0 HB2 PRO B 44 14.553 17.744 31.614 1.00 0.00 H new ATOM 0 HB3 PRO B 44 12.803 17.669 31.677 1.00 0.00 H new ATOM 0 HG2 PRO B 44 14.219 15.545 32.549 1.00 0.00 H new ATOM 0 HG3 PRO B 44 12.774 15.255 31.600 1.00 0.00 H new ATOM 0 HD2 PRO B 44 15.681 15.252 30.670 1.00 0.00 H new ATOM 0 HD3 PRO B 44 14.413 14.114 30.261 1.00 0.00 H new ATOM 1745 N GLY B 45 13.398 19.518 28.939 1.00 0.00 N ATOM 1746 CA GLY B 45 13.812 20.873 28.539 1.00 0.00 C ATOM 1747 C GLY B 45 14.284 21.014 27.082 1.00 0.00 C ATOM 1748 O GLY B 45 14.970 21.984 26.759 1.00 0.00 O ATOM 0 H GLY B 45 12.390 19.428 29.063 1.00 0.00 H new ATOM 0 HA2 GLY B 45 12.975 21.553 28.700 1.00 0.00 H new ATOM 0 HA3 GLY B 45 14.618 21.198 29.197 1.00 0.00 H new ATOM 1752 N LEU B 46 13.923 20.072 26.205 1.00 0.00 N ATOM 1753 CA LEU B 46 14.238 20.081 24.771 1.00 0.00 C ATOM 1754 C LEU B 46 12.989 20.265 23.879 1.00 0.00 C ATOM 1755 O LEU B 46 11.849 20.092 24.312 1.00 0.00 O ATOM 1756 CB LEU B 46 14.998 18.790 24.393 1.00 0.00 C ATOM 1757 CG LEU B 46 16.330 18.540 25.123 1.00 0.00 C ATOM 1758 CD1 LEU B 46 16.982 17.280 24.554 1.00 0.00 C ATOM 1759 CD2 LEU B 46 17.340 19.683 24.957 1.00 0.00 C ATOM 0 H LEU B 46 13.384 19.252 26.483 1.00 0.00 H new ATOM 0 HA LEU B 46 14.874 20.947 24.585 1.00 0.00 H new ATOM 0 HB2 LEU B 46 14.341 17.940 24.580 1.00 0.00 H new ATOM 0 HB3 LEU B 46 15.195 18.811 23.321 1.00 0.00 H new ATOM 0 HG LEU B 46 16.087 18.448 26.181 1.00 0.00 H new ATOM 0 HD11 LEU B 46 17.926 17.096 25.066 1.00 0.00 H new ATOM 0 HD12 LEU B 46 16.318 16.428 24.701 1.00 0.00 H new ATOM 0 HD13 LEU B 46 17.167 17.416 23.489 1.00 0.00 H new ATOM 0 HD21 LEU B 46 18.255 19.441 25.497 1.00 0.00 H new ATOM 0 HD22 LEU B 46 17.567 19.817 23.899 1.00 0.00 H new ATOM 0 HD23 LEU B 46 16.916 20.604 25.357 1.00 0.00 H new ATOM 1771 N ALA B 47 13.241 20.556 22.601 1.00 0.00 N ATOM 1772 CA ALA B 47 12.310 20.480 21.475 1.00 0.00 C ATOM 1773 C ALA B 47 13.070 20.078 20.188 1.00 0.00 C ATOM 1774 O ALA B 47 14.293 20.216 20.114 1.00 0.00 O ATOM 1775 CB ALA B 47 11.610 21.842 21.330 1.00 0.00 C ATOM 0 H ALA B 47 14.165 20.873 22.306 1.00 0.00 H new ATOM 0 HA ALA B 47 11.552 19.716 21.651 1.00 0.00 H new ATOM 0 HB1 ALA B 47 10.911 21.805 20.494 1.00 0.00 H new ATOM 0 HB2 ALA B 47 11.067 22.072 22.247 1.00 0.00 H new ATOM 0 HB3 ALA B 47 12.355 22.616 21.146 1.00 0.00 H new ATOM 1781 N ILE B 48 12.366 19.576 19.166 1.00 0.00 N ATOM 1782 CA ILE B 48 12.972 19.250 17.861 1.00 0.00 C ATOM 1783 C ILE B 48 13.316 20.560 17.122 1.00 0.00 C ATOM 1784 O ILE B 48 12.435 21.380 16.845 1.00 0.00 O ATOM 1785 CB ILE B 48 12.054 18.339 17.009 1.00 0.00 C ATOM 1786 CG1 ILE B 48 11.762 16.982 17.702 1.00 0.00 C ATOM 1787 CG2 ILE B 48 12.683 18.083 15.624 1.00 0.00 C ATOM 1788 CD1 ILE B 48 10.495 16.296 17.171 1.00 0.00 C ATOM 0 H ILE B 48 11.366 19.384 19.215 1.00 0.00 H new ATOM 0 HA ILE B 48 13.888 18.684 18.031 1.00 0.00 H new ATOM 0 HB ILE B 48 11.107 18.866 16.894 1.00 0.00 H new ATOM 0 HG12 ILE B 48 12.614 16.318 17.561 1.00 0.00 H new ATOM 0 HG13 ILE B 48 11.658 17.143 18.775 1.00 0.00 H new ATOM 0 HG21 ILE B 48 12.025 17.441 15.038 1.00 0.00 H new ATOM 0 HG22 ILE B 48 12.820 19.032 15.105 1.00 0.00 H new ATOM 0 HG23 ILE B 48 13.650 17.595 15.748 1.00 0.00 H new ATOM 0 HD11 ILE B 48 10.345 15.352 17.695 1.00 0.00 H new ATOM 0 HD12 ILE B 48 9.634 16.944 17.337 1.00 0.00 H new ATOM 0 HD13 ILE B 48 10.605 16.105 16.104 1.00 0.00 H new ATOM 1800 N GLY B 49 14.596 20.760 16.798 1.00 0.00 N ATOM 1801 CA GLY B 49 15.100 21.927 16.070 1.00 0.00 C ATOM 1802 C GLY B 49 15.048 21.771 14.546 1.00 0.00 C ATOM 1803 O GLY B 49 14.664 22.702 13.837 1.00 0.00 O ATOM 0 H GLY B 49 15.331 20.096 17.042 1.00 0.00 H new ATOM 0 HA2 GLY B 49 14.518 22.803 16.357 1.00 0.00 H new ATOM 0 HA3 GLY B 49 16.130 22.116 16.372 1.00 0.00 H new ATOM 1807 N ARG B 50 15.410 20.585 14.040 1.00 0.00 N ATOM 1808 CA ARG B 50 15.445 20.241 12.604 1.00 0.00 C ATOM 1809 C ARG B 50 15.447 18.729 12.358 1.00 0.00 C ATOM 1810 O ARG B 50 15.896 17.958 13.208 1.00 0.00 O ATOM 1811 CB ARG B 50 16.644 20.923 11.905 1.00 0.00 C ATOM 1812 CG ARG B 50 18.007 20.590 12.538 1.00 0.00 C ATOM 1813 CD ARG B 50 19.177 21.271 11.812 1.00 0.00 C ATOM 1814 NE ARG B 50 20.395 21.239 12.650 1.00 0.00 N ATOM 1815 CZ ARG B 50 21.372 20.348 12.647 1.00 0.00 C ATOM 1816 NH1 ARG B 50 21.452 19.372 11.788 1.00 0.00 N1+ ATOM 1817 NH2 ARG B 50 22.326 20.427 13.531 1.00 0.00 N ATOM 0 H ARG B 50 15.697 19.809 14.636 1.00 0.00 H new ATOM 0 HA ARG B 50 14.524 20.624 12.164 1.00 0.00 H new ATOM 0 HB2 ARG B 50 16.659 20.625 10.857 1.00 0.00 H new ATOM 0 HB3 ARG B 50 16.498 22.003 11.927 1.00 0.00 H new ATOM 0 HG2 ARG B 50 18.003 20.899 13.583 1.00 0.00 H new ATOM 0 HG3 ARG B 50 18.155 19.510 12.525 1.00 0.00 H new ATOM 0 HD2 ARG B 50 19.367 20.768 10.864 1.00 0.00 H new ATOM 0 HD3 ARG B 50 18.916 22.303 11.578 1.00 0.00 H new ATOM 0 HE ARG B 50 20.494 22.004 13.317 1.00 0.00 H new ATOM 0 HH11 ARG B 50 20.737 19.266 11.069 1.00 0.00 H new ATOM 0 HH12 ARG B 50 22.230 18.714 11.835 1.00 0.00 H new ATOM 0 HH21 ARG B 50 22.318 21.175 14.224 1.00 0.00 H new ATOM 0 HH22 ARG B 50 23.080 19.740 13.530 1.00 0.00 H new ATOM 1831 N VAL B 51 14.988 18.325 11.172 1.00 0.00 N ATOM 1832 CA VAL B 51 15.063 16.948 10.668 1.00 0.00 C ATOM 1833 C VAL B 51 15.581 16.978 9.235 1.00 0.00 C ATOM 1834 O VAL B 51 14.927 17.508 8.335 1.00 0.00 O ATOM 1835 CB VAL B 51 13.713 16.199 10.763 1.00 0.00 C ATOM 1836 CG1 VAL B 51 13.883 14.725 10.386 1.00 0.00 C ATOM 1837 CG2 VAL B 51 13.067 16.303 12.149 1.00 0.00 C ATOM 0 H VAL B 51 14.540 18.964 10.515 1.00 0.00 H new ATOM 0 HA VAL B 51 15.753 16.389 11.300 1.00 0.00 H new ATOM 0 HB VAL B 51 13.045 16.687 10.054 1.00 0.00 H new ATOM 0 HG11 VAL B 51 12.921 14.217 10.460 1.00 0.00 H new ATOM 0 HG12 VAL B 51 14.255 14.651 9.364 1.00 0.00 H new ATOM 0 HG13 VAL B 51 14.594 14.255 11.065 1.00 0.00 H new ATOM 0 HG21 VAL B 51 12.123 15.758 12.152 1.00 0.00 H new ATOM 0 HG22 VAL B 51 13.736 15.875 12.895 1.00 0.00 H new ATOM 0 HG23 VAL B 51 12.882 17.351 12.386 1.00 0.00 H new ATOM 1847 N ASP B 52 16.767 16.412 9.026 1.00 0.00 N ATOM 1848 CA ASP B 52 17.548 16.553 7.794 1.00 0.00 C ATOM 1849 C ASP B 52 17.597 15.218 7.038 1.00 0.00 C ATOM 1850 O ASP B 52 18.506 14.408 7.242 1.00 0.00 O ATOM 1851 CB ASP B 52 18.961 17.088 8.122 1.00 0.00 C ATOM 1852 CG ASP B 52 19.006 18.407 8.914 1.00 0.00 C ATOM 1853 OD1 ASP B 52 20.087 18.714 9.474 1.00 0.00 O ATOM 1854 OD2 ASP B 52 18.004 19.151 8.985 1.00 0.00 O1- ATOM 0 H ASP B 52 17.226 15.827 9.725 1.00 0.00 H new ATOM 0 HA ASP B 52 17.065 17.278 7.139 1.00 0.00 H new ATOM 0 HB2 ASP B 52 19.496 16.326 8.689 1.00 0.00 H new ATOM 0 HB3 ASP B 52 19.503 17.228 7.187 1.00 0.00 H new ATOM 1859 N LEU B 53 16.624 14.958 6.154 1.00 0.00 N ATOM 1860 CA LEU B 53 16.509 13.689 5.413 1.00 0.00 C ATOM 1861 C LEU B 53 17.652 13.490 4.393 1.00 0.00 C ATOM 1862 O LEU B 53 17.913 12.362 3.968 1.00 0.00 O ATOM 1863 CB LEU B 53 15.125 13.556 4.745 1.00 0.00 C ATOM 1864 CG LEU B 53 13.870 13.587 5.644 1.00 0.00 C ATOM 1865 CD1 LEU B 53 13.985 12.656 6.856 1.00 0.00 C ATOM 1866 CD2 LEU B 53 13.460 14.982 6.128 1.00 0.00 C ATOM 0 H LEU B 53 15.887 15.627 5.929 1.00 0.00 H new ATOM 0 HA LEU B 53 16.607 12.888 6.146 1.00 0.00 H new ATOM 0 HB2 LEU B 53 15.030 14.360 4.015 1.00 0.00 H new ATOM 0 HB3 LEU B 53 15.113 12.618 4.190 1.00 0.00 H new ATOM 0 HG LEU B 53 13.084 13.229 4.979 1.00 0.00 H new ATOM 0 HD11 LEU B 53 13.074 12.720 7.451 1.00 0.00 H new ATOM 0 HD12 LEU B 53 14.125 11.630 6.515 1.00 0.00 H new ATOM 0 HD13 LEU B 53 14.838 12.955 7.465 1.00 0.00 H new ATOM 0 HD21 LEU B 53 12.570 14.904 6.752 1.00 0.00 H new ATOM 0 HD22 LEU B 53 14.273 15.419 6.708 1.00 0.00 H new ATOM 0 HD23 LEU B 53 13.246 15.617 5.268 1.00 0.00 H new ATOM 1878 N ARG B 54 18.399 14.560 4.085 1.00 0.00 N ATOM 1879 CA ARG B 54 19.693 14.535 3.369 1.00 0.00 C ATOM 1880 C ARG B 54 20.785 13.730 4.092 1.00 0.00 C ATOM 1881 O ARG B 54 21.739 13.288 3.450 1.00 0.00 O ATOM 1882 CB ARG B 54 20.182 15.978 3.155 1.00 0.00 C ATOM 1883 CG ARG B 54 19.222 16.823 2.301 1.00 0.00 C ATOM 1884 CD ARG B 54 19.815 18.196 1.953 1.00 0.00 C ATOM 1885 NE ARG B 54 20.001 19.040 3.151 1.00 0.00 N ATOM 1886 CZ ARG B 54 21.011 19.836 3.441 1.00 0.00 C ATOM 1887 NH1 ARG B 54 22.043 19.997 2.659 1.00 0.00 N1+ ATOM 1888 NH2 ARG B 54 20.977 20.499 4.554 1.00 0.00 N ATOM 0 H ARG B 54 18.111 15.506 4.335 1.00 0.00 H new ATOM 0 HA ARG B 54 19.514 14.032 2.418 1.00 0.00 H new ATOM 0 HB2 ARG B 54 20.313 16.458 4.125 1.00 0.00 H new ATOM 0 HB3 ARG B 54 21.161 15.956 2.675 1.00 0.00 H new ATOM 0 HG2 ARG B 54 18.987 16.286 1.382 1.00 0.00 H new ATOM 0 HG3 ARG B 54 18.284 16.960 2.839 1.00 0.00 H new ATOM 0 HD2 ARG B 54 20.774 18.060 1.453 1.00 0.00 H new ATOM 0 HD3 ARG B 54 19.158 18.706 1.249 1.00 0.00 H new ATOM 0 HE ARG B 54 19.252 19.002 3.842 1.00 0.00 H new ATOM 0 HH11 ARG B 54 22.095 19.493 1.773 1.00 0.00 H new ATOM 0 HH12 ARG B 54 22.797 20.626 2.933 1.00 0.00 H new ATOM 0 HH21 ARG B 54 20.181 20.398 5.183 1.00 0.00 H new ATOM 0 HH22 ARG B 54 21.747 21.121 4.801 1.00 0.00 H new ATOM 1902 N SER B 55 20.660 13.540 5.412 1.00 0.00 N ATOM 1903 CA SER B 55 21.660 12.891 6.279 1.00 0.00 C ATOM 1904 C SER B 55 21.069 11.833 7.230 1.00 0.00 C ATOM 1905 O SER B 55 21.791 10.941 7.692 1.00 0.00 O ATOM 1906 CB SER B 55 22.399 13.998 7.047 1.00 0.00 C ATOM 1907 OG SER B 55 23.508 13.497 7.770 1.00 0.00 O ATOM 0 H SER B 55 19.833 13.843 5.926 1.00 0.00 H new ATOM 0 HA SER B 55 22.350 12.328 5.651 1.00 0.00 H new ATOM 0 HB2 SER B 55 22.739 14.760 6.346 1.00 0.00 H new ATOM 0 HB3 SER B 55 21.708 14.484 7.736 1.00 0.00 H new ATOM 0 HG SER B 55 23.950 14.233 8.242 1.00 0.00 H new ATOM 1913 N GLY B 56 19.758 11.886 7.508 1.00 0.00 N ATOM 1914 CA GLY B 56 19.065 11.002 8.454 1.00 0.00 C ATOM 1915 C GLY B 56 19.201 11.439 9.922 1.00 0.00 C ATOM 1916 O GLY B 56 19.149 10.605 10.826 1.00 0.00 O ATOM 0 H GLY B 56 19.135 12.563 7.069 1.00 0.00 H new ATOM 0 HA2 GLY B 56 18.008 10.962 8.193 1.00 0.00 H new ATOM 0 HA3 GLY B 56 19.458 9.991 8.347 1.00 0.00 H new ATOM 1920 N VAL B 57 19.417 12.737 10.169 1.00 0.00 N ATOM 1921 CA VAL B 57 19.645 13.317 11.506 1.00 0.00 C ATOM 1922 C VAL B 57 18.426 14.096 12.004 1.00 0.00 C ATOM 1923 O VAL B 57 17.921 14.984 11.314 1.00 0.00 O ATOM 1924 CB VAL B 57 20.917 14.190 11.516 1.00 0.00 C ATOM 1925 CG1 VAL B 57 21.147 14.875 12.872 1.00 0.00 C ATOM 1926 CG2 VAL B 57 22.160 13.345 11.212 1.00 0.00 C ATOM 0 H VAL B 57 19.439 13.435 9.426 1.00 0.00 H new ATOM 0 HA VAL B 57 19.799 12.492 12.201 1.00 0.00 H new ATOM 0 HB VAL B 57 20.763 14.949 10.749 1.00 0.00 H new ATOM 0 HG11 VAL B 57 22.054 15.477 12.826 1.00 0.00 H new ATOM 0 HG12 VAL B 57 20.297 15.517 13.104 1.00 0.00 H new ATOM 0 HG13 VAL B 57 21.253 14.118 13.649 1.00 0.00 H new ATOM 0 HG21 VAL B 57 23.045 13.982 11.224 1.00 0.00 H new ATOM 0 HG22 VAL B 57 22.263 12.565 11.967 1.00 0.00 H new ATOM 0 HG23 VAL B 57 22.057 12.887 10.229 1.00 0.00 H new ATOM 1936 N ILE B 58 17.990 13.785 13.226 1.00 0.00 N ATOM 1937 CA ILE B 58 17.051 14.565 14.039 1.00 0.00 C ATOM 1938 C ILE B 58 17.861 15.325 15.099 1.00 0.00 C ATOM 1939 O ILE B 58 18.525 14.709 15.935 1.00 0.00 O ATOM 1940 CB ILE B 58 15.990 13.624 14.665 1.00 0.00 C ATOM 1941 CG1 ILE B 58 15.083 13.041 13.558 1.00 0.00 C ATOM 1942 CG2 ILE B 58 15.159 14.343 15.749 1.00 0.00 C ATOM 1943 CD1 ILE B 58 14.170 11.893 14.002 1.00 0.00 C ATOM 0 H ILE B 58 18.298 12.937 13.702 1.00 0.00 H new ATOM 0 HA ILE B 58 16.507 15.289 13.432 1.00 0.00 H new ATOM 0 HB ILE B 58 16.510 12.803 15.158 1.00 0.00 H new ATOM 0 HG12 ILE B 58 14.463 13.843 13.158 1.00 0.00 H new ATOM 0 HG13 ILE B 58 15.713 12.688 12.742 1.00 0.00 H new ATOM 0 HG21 ILE B 58 14.426 13.651 16.164 1.00 0.00 H new ATOM 0 HG22 ILE B 58 15.820 14.691 16.543 1.00 0.00 H new ATOM 0 HG23 ILE B 58 14.643 15.195 15.306 1.00 0.00 H new ATOM 0 HD11 ILE B 58 13.574 11.553 13.155 1.00 0.00 H new ATOM 0 HD12 ILE B 58 14.778 11.067 14.373 1.00 0.00 H new ATOM 0 HD13 ILE B 58 13.508 12.241 14.795 1.00 0.00 H new ATOM 1955 N SER B 59 17.824 16.660 15.068 1.00 0.00 N ATOM 1956 CA SER B 59 18.572 17.511 16.000 1.00 0.00 C ATOM 1957 C SER B 59 17.635 18.144 17.027 1.00 0.00 C ATOM 1958 O SER B 59 16.640 18.778 16.659 1.00 0.00 O ATOM 1959 CB SER B 59 19.324 18.595 15.231 1.00 0.00 C ATOM 1960 OG SER B 59 20.130 19.378 16.097 1.00 0.00 O ATOM 0 H SER B 59 17.271 17.185 14.391 1.00 0.00 H new ATOM 0 HA SER B 59 19.292 16.890 16.533 1.00 0.00 H new ATOM 0 HB2 SER B 59 19.950 18.134 14.467 1.00 0.00 H new ATOM 0 HB3 SER B 59 18.611 19.238 14.714 1.00 0.00 H new ATOM 0 HG SER B 59 20.600 20.062 15.576 1.00 0.00 H new ATOM 1966 N LEU B 60 17.941 17.971 18.317 1.00 0.00 N ATOM 1967 CA LEU B 60 17.205 18.579 19.433 1.00 0.00 C ATOM 1968 C LEU B 60 17.915 19.828 19.974 1.00 0.00 C ATOM 1969 O LEU B 60 19.149 19.880 20.028 1.00 0.00 O ATOM 1970 CB LEU B 60 16.957 17.553 20.560 1.00 0.00 C ATOM 1971 CG LEU B 60 16.355 16.200 20.120 1.00 0.00 C ATOM 1972 CD1 LEU B 60 16.077 15.338 21.353 1.00 0.00 C ATOM 1973 CD2 LEU B 60 15.046 16.360 19.343 1.00 0.00 C ATOM 0 H LEU B 60 18.724 17.392 18.622 1.00 0.00 H new ATOM 0 HA LEU B 60 16.238 18.898 19.045 1.00 0.00 H new ATOM 0 HB2 LEU B 60 17.904 17.361 21.065 1.00 0.00 H new ATOM 0 HB3 LEU B 60 16.290 18.004 21.295 1.00 0.00 H new ATOM 0 HG LEU B 60 17.085 15.729 19.462 1.00 0.00 H new ATOM 0 HD11 LEU B 60 15.652 14.384 21.042 1.00 0.00 H new ATOM 0 HD12 LEU B 60 17.008 15.162 21.892 1.00 0.00 H new ATOM 0 HD13 LEU B 60 15.372 15.853 22.006 1.00 0.00 H new ATOM 0 HD21 LEU B 60 14.669 15.377 19.059 1.00 0.00 H new ATOM 0 HD22 LEU B 60 14.310 16.864 19.970 1.00 0.00 H new ATOM 0 HD23 LEU B 60 15.226 16.952 18.446 1.00 0.00 H new ATOM 1985 N ILE B 61 17.131 20.810 20.412 1.00 0.00 N ATOM 1986 CA ILE B 61 17.576 22.101 20.961 1.00 0.00 C ATOM 1987 C ILE B 61 16.812 22.436 22.248 1.00 0.00 C ATOM 1988 O ILE B 61 15.720 21.922 22.485 1.00 0.00 O ATOM 1989 CB ILE B 61 17.478 23.223 19.899 1.00 0.00 C ATOM 1990 CG1 ILE B 61 16.074 23.452 19.283 1.00 0.00 C ATOM 1991 CG2 ILE B 61 18.484 22.958 18.759 1.00 0.00 C ATOM 1992 CD1 ILE B 61 15.144 24.343 20.115 1.00 0.00 C ATOM 0 H ILE B 61 16.114 20.729 20.395 1.00 0.00 H new ATOM 0 HA ILE B 61 18.629 22.020 21.229 1.00 0.00 H new ATOM 0 HB ILE B 61 17.710 24.136 20.448 1.00 0.00 H new ATOM 0 HG12 ILE B 61 16.194 23.898 18.296 1.00 0.00 H new ATOM 0 HG13 ILE B 61 15.594 22.484 19.139 1.00 0.00 H new ATOM 0 HG21 ILE B 61 18.409 23.752 18.016 1.00 0.00 H new ATOM 0 HG22 ILE B 61 19.496 22.935 19.164 1.00 0.00 H new ATOM 0 HG23 ILE B 61 18.259 22.000 18.291 1.00 0.00 H new ATOM 0 HD11 ILE B 61 14.186 24.446 19.605 1.00 0.00 H new ATOM 0 HD12 ILE B 61 14.987 23.891 21.094 1.00 0.00 H new ATOM 0 HD13 ILE B 61 15.597 25.327 20.238 1.00 0.00 H new ATOM 2004 N GLU B 62 17.384 23.279 23.109 1.00 0.00 N ATOM 2005 CA GLU B 62 16.776 23.680 24.389 1.00 0.00 C ATOM 2006 C GLU B 62 15.556 24.607 24.193 1.00 0.00 C ATOM 2007 O GLU B 62 15.640 25.614 23.488 1.00 0.00 O ATOM 2008 CB GLU B 62 17.817 24.352 25.306 1.00 0.00 C ATOM 2009 CG GLU B 62 19.064 23.496 25.606 1.00 0.00 C ATOM 2010 CD GLU B 62 20.259 23.742 24.649 1.00 0.00 C ATOM 2011 OE1 GLU B 62 20.060 24.065 23.448 1.00 0.00 O ATOM 2012 OE2 GLU B 62 21.423 23.591 25.091 1.00 0.00 O1- ATOM 0 H GLU B 62 18.293 23.710 22.940 1.00 0.00 H new ATOM 0 HA GLU B 62 16.420 22.768 24.868 1.00 0.00 H new ATOM 0 HB2 GLU B 62 18.137 25.286 24.845 1.00 0.00 H new ATOM 0 HB3 GLU B 62 17.336 24.611 26.249 1.00 0.00 H new ATOM 0 HG2 GLU B 62 19.387 23.693 26.628 1.00 0.00 H new ATOM 0 HG3 GLU B 62 18.787 22.443 25.557 1.00 0.00 H new ATOM 2019 N GLU B 63 14.421 24.296 24.831 1.00 0.00 N ATOM 2020 CA GLU B 63 13.188 25.103 24.724 1.00 0.00 C ATOM 2021 C GLU B 63 13.146 26.305 25.693 1.00 0.00 C ATOM 2022 O GLU B 63 12.348 27.224 25.500 1.00 0.00 O ATOM 2023 CB GLU B 63 11.933 24.207 24.798 1.00 0.00 C ATOM 2024 CG GLU B 63 11.716 23.448 26.115 1.00 0.00 C ATOM 2025 CD GLU B 63 11.109 24.293 27.247 1.00 0.00 C ATOM 2026 OE1 GLU B 63 10.092 24.996 27.031 1.00 0.00 O ATOM 2027 OE2 GLU B 63 11.648 24.236 28.378 1.00 0.00 O1- ATOM 0 H GLU B 63 14.326 23.480 25.436 1.00 0.00 H new ATOM 0 HA GLU B 63 13.195 25.563 23.736 1.00 0.00 H new ATOM 0 HB2 GLU B 63 11.057 24.829 24.613 1.00 0.00 H new ATOM 0 HB3 GLU B 63 11.984 23.479 23.988 1.00 0.00 H new ATOM 0 HG2 GLU B 63 11.063 22.596 25.925 1.00 0.00 H new ATOM 0 HG3 GLU B 63 12.673 23.048 26.451 1.00 0.00 H new