USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=12 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: A 5 LYS NZ :NH3+ 178:sc= 1.05 (180deg=0.514) USER MOD Set 1.2: A 55 SER OG : rot -166:sc= 0.53 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -62:sc= 0.351 USER MOD Single : A 41 HIS : no HD1:sc=-0.00182 X(o=-0.0018,f=-0.0018) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : B 3 MET CE :methyl -155:sc= -0.146 (180deg=-0.844) USER MOD Single : B 5 LYS NZ :NH3+ -140:sc= 0.575 (180deg=0.0933) USER MOD Single : B 9 THR OG1 : rot 170:sc= 0.752 USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 THR OG1 : rot 180:sc= 0 USER MOD Single : B 35 THR OG1 : rot -67:sc= 0.195 USER MOD Single : B 41 HIS : no HD1:sc= 0.63 K(o=0.63,f=-1.9!) 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 11.072 11.937 4.168 1.00 0.00 N ATOM 88 CA ALA A 4 9.887 12.062 5.016 1.00 0.00 C ATOM 89 C ALA A 4 8.711 12.750 4.294 1.00 0.00 C ATOM 90 O ALA A 4 8.858 13.306 3.200 1.00 0.00 O ATOM 91 CB ALA A 4 10.290 12.819 6.289 1.00 0.00 C ATOM 0 HA ALA A 4 9.525 11.066 5.271 1.00 0.00 H new ATOM 0 HB1 ALA A 4 9.422 12.925 6.939 1.00 0.00 H new ATOM 0 HB2 ALA A 4 11.069 12.263 6.812 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.666 13.806 6.021 1.00 0.00 H new ATOM 97 N LYS A 5 7.544 12.762 4.954 1.00 0.00 N ATOM 98 CA LYS A 5 6.363 13.551 4.586 1.00 0.00 C ATOM 99 C LYS A 5 5.812 14.304 5.800 1.00 0.00 C ATOM 100 O LYS A 5 5.722 13.747 6.894 1.00 0.00 O ATOM 101 CB LYS A 5 5.319 12.672 3.868 1.00 0.00 C ATOM 102 CG LYS A 5 4.849 11.428 4.645 1.00 0.00 C ATOM 103 CD LYS A 5 3.790 10.658 3.835 1.00 0.00 C ATOM 104 CE LYS A 5 3.280 9.389 4.531 1.00 0.00 C ATOM 105 NZ LYS A 5 4.285 8.298 4.542 1.00 0.00 N1+ ATOM 0 H LYS A 5 7.393 12.200 5.791 1.00 0.00 H new ATOM 0 HA LYS A 5 6.652 14.317 3.867 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.448 13.286 3.640 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.738 12.347 2.916 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.699 10.779 4.854 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.433 11.728 5.607 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.945 11.318 3.639 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.213 10.386 2.868 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.000 9.630 5.557 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.378 9.041 4.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.901 7.478 5.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.509 8.023 3.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.150 8.628 5.016 1.00 0.00 H new ATOM 119 N VAL A 6 5.480 15.578 5.619 1.00 0.00 N ATOM 120 CA VAL A 6 5.032 16.506 6.680 1.00 0.00 C ATOM 121 C VAL A 6 3.506 16.634 6.658 1.00 0.00 C ATOM 122 O VAL A 6 2.903 16.646 5.583 1.00 0.00 O ATOM 123 CB VAL A 6 5.712 17.880 6.548 1.00 0.00 C ATOM 124 CG1 VAL A 6 5.264 18.892 7.610 1.00 0.00 C ATOM 125 CG2 VAL A 6 7.234 17.771 6.650 1.00 0.00 C ATOM 0 H VAL A 6 5.513 16.020 4.700 1.00 0.00 H new ATOM 0 HA VAL A 6 5.329 16.094 7.645 1.00 0.00 H new ATOM 0 HB VAL A 6 5.408 18.235 5.563 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.785 19.837 7.455 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.189 19.052 7.529 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.500 18.507 8.602 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.677 18.762 6.552 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.504 17.347 7.617 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.607 17.127 5.854 1.00 0.00 H new ATOM 135 N VAL A 7 2.879 16.766 7.831 1.00 0.00 N ATOM 136 CA VAL A 7 1.440 17.036 7.998 1.00 0.00 C ATOM 137 C VAL A 7 1.182 18.065 9.106 1.00 0.00 C ATOM 138 O VAL A 7 1.850 18.065 10.142 1.00 0.00 O ATOM 139 CB VAL A 7 0.637 15.730 8.200 1.00 0.00 C ATOM 140 CG1 VAL A 7 1.102 14.911 9.414 1.00 0.00 C ATOM 141 CG2 VAL A 7 -0.872 15.978 8.354 1.00 0.00 C ATOM 0 H VAL A 7 3.371 16.686 8.721 1.00 0.00 H new ATOM 0 HA VAL A 7 1.078 17.483 7.072 1.00 0.00 H new ATOM 0 HB VAL A 7 0.829 15.163 7.289 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.497 14.008 9.497 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.149 14.636 9.288 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.991 15.507 10.320 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.385 15.026 8.493 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.049 16.616 9.220 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.253 16.468 7.458 1.00 0.00 H new ATOM 151 N LEU A 8 0.207 18.945 8.875 1.00 0.00 N ATOM 152 CA LEU A 8 -0.231 20.012 9.784 1.00 0.00 C ATOM 153 C LEU A 8 -1.727 20.318 9.599 1.00 0.00 C ATOM 154 O LEU A 8 -2.317 19.960 8.575 1.00 0.00 O ATOM 155 CB LEU A 8 0.653 21.256 9.554 1.00 0.00 C ATOM 156 CG LEU A 8 0.472 21.944 8.182 1.00 0.00 C ATOM 157 CD1 LEU A 8 -0.510 23.123 8.238 1.00 0.00 C ATOM 158 CD2 LEU A 8 1.807 22.473 7.662 1.00 0.00 C ATOM 0 H LEU A 8 -0.327 18.935 8.006 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.113 19.688 10.818 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.442 21.983 10.338 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.698 20.965 9.662 1.00 0.00 H new ATOM 0 HG LEU A 8 0.071 21.180 7.516 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.599 23.569 7.248 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.487 22.768 8.565 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.142 23.870 8.941 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.656 22.953 6.695 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.211 23.198 8.368 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.508 21.646 7.551 1.00 0.00 H new ATOM 266 N VAL A 16 -3.027 20.292 5.750 1.00 0.00 N ATOM 267 CA VAL A 16 -2.049 20.429 4.656 1.00 0.00 C ATOM 268 C VAL A 16 -0.993 19.330 4.797 1.00 0.00 C ATOM 269 O VAL A 16 -0.579 19.002 5.913 1.00 0.00 O ATOM 270 CB VAL A 16 -1.403 21.837 4.637 1.00 0.00 C ATOM 271 CG1 VAL A 16 -0.372 22.005 3.514 1.00 0.00 C ATOM 272 CG2 VAL A 16 -2.450 22.945 4.467 1.00 0.00 C ATOM 0 HA VAL A 16 -2.563 20.315 3.702 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.906 21.926 5.603 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.046 23.011 3.551 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.427 21.275 3.642 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.856 21.849 2.550 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.954 23.916 4.459 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.982 22.801 3.527 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.158 22.906 5.294 1.00 0.00 H new ATOM 282 N GLU A 17 -0.547 18.759 3.677 1.00 0.00 N ATOM 283 CA GLU A 17 0.497 17.727 3.605 1.00 0.00 C ATOM 284 C GLU A 17 1.562 18.068 2.543 1.00 0.00 C ATOM 285 O GLU A 17 1.251 18.646 1.499 1.00 0.00 O ATOM 286 CB GLU A 17 -0.090 16.332 3.327 1.00 0.00 C ATOM 287 CG GLU A 17 -0.962 15.754 4.460 1.00 0.00 C ATOM 288 CD GLU A 17 -2.478 16.038 4.368 1.00 0.00 C ATOM 289 OE1 GLU A 17 -2.946 16.790 3.481 1.00 0.00 O ATOM 290 OE2 GLU A 17 -3.236 15.458 5.186 1.00 0.00 O1- ATOM 0 H GLU A 17 -0.915 19.010 2.759 1.00 0.00 H new ATOM 0 HA GLU A 17 0.976 17.707 4.584 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.688 16.381 2.417 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.730 15.641 3.132 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.817 14.674 4.487 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.597 16.148 5.408 1.00 0.00 H new ATOM 297 N ILE A 18 2.821 17.685 2.802 1.00 0.00 N ATOM 298 CA ILE A 18 3.973 17.914 1.914 1.00 0.00 C ATOM 299 C ILE A 18 4.778 16.613 1.800 1.00 0.00 C ATOM 300 O ILE A 18 5.294 16.111 2.800 1.00 0.00 O ATOM 301 CB ILE A 18 4.870 19.066 2.430 1.00 0.00 C ATOM 302 CG1 ILE A 18 4.110 20.396 2.653 1.00 0.00 C ATOM 303 CG2 ILE A 18 6.047 19.308 1.460 1.00 0.00 C ATOM 304 CD1 ILE A 18 4.814 21.302 3.667 1.00 0.00 C ATOM 0 H ILE A 18 3.074 17.193 3.659 1.00 0.00 H new ATOM 0 HA ILE A 18 3.606 18.210 0.931 1.00 0.00 H new ATOM 0 HB ILE A 18 5.237 18.742 3.404 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.015 20.922 1.703 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.100 20.181 3.001 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.668 20.121 1.837 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.646 18.401 1.381 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.659 19.574 0.477 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.244 22.223 3.790 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.885 20.788 4.626 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.815 21.541 3.308 1.00 0.00 H new ATOM 316 N GLY A 19 4.892 16.061 0.591 1.00 0.00 N ATOM 317 CA GLY A 19 5.643 14.827 0.326 1.00 0.00 C ATOM 318 C GLY A 19 7.135 15.046 0.038 1.00 0.00 C ATOM 319 O GLY A 19 7.543 16.110 -0.436 1.00 0.00 O ATOM 0 H GLY A 19 4.462 16.461 -0.243 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.544 14.164 1.185 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.192 14.316 -0.525 1.00 0.00 H new ATOM 323 N ASP A 20 7.935 14.006 0.287 1.00 0.00 N ATOM 324 CA ASP A 20 9.342 13.871 -0.115 1.00 0.00 C ATOM 325 C ASP A 20 10.250 15.050 0.310 1.00 0.00 C ATOM 326 O ASP A 20 11.023 15.594 -0.490 1.00 0.00 O ATOM 327 CB ASP A 20 9.449 13.509 -1.609 1.00 0.00 C ATOM 328 CG ASP A 20 8.674 12.240 -2.025 1.00 0.00 C ATOM 329 OD1 ASP A 20 8.388 11.355 -1.178 1.00 0.00 O ATOM 330 OD2 ASP A 20 8.352 12.112 -3.231 1.00 0.00 O1- ATOM 0 H ASP A 20 7.603 13.191 0.802 1.00 0.00 H new ATOM 0 HA ASP A 20 9.749 13.035 0.454 1.00 0.00 H new ATOM 0 HB2 ASP A 20 9.085 14.350 -2.199 1.00 0.00 H new ATOM 0 HB3 ASP A 20 10.501 13.374 -1.861 1.00 0.00 H new ATOM 335 N VAL A 21 10.155 15.461 1.578 1.00 0.00 N ATOM 336 CA VAL A 21 10.952 16.565 2.134 1.00 0.00 C ATOM 337 C VAL A 21 12.410 16.147 2.395 1.00 0.00 C ATOM 338 O VAL A 21 12.676 15.056 2.906 1.00 0.00 O ATOM 339 CB VAL A 21 10.292 17.187 3.381 1.00 0.00 C ATOM 340 CG1 VAL A 21 8.875 17.683 3.070 1.00 0.00 C ATOM 341 CG2 VAL A 21 10.221 16.279 4.613 1.00 0.00 C ATOM 0 H VAL A 21 9.520 15.036 2.254 1.00 0.00 H new ATOM 0 HA VAL A 21 10.981 17.347 1.375 1.00 0.00 H new ATOM 0 HB VAL A 21 10.957 18.012 3.635 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.436 18.116 3.969 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.918 18.439 2.286 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.262 16.847 2.734 1.00 0.00 H new ATOM 0 HG21 VAL A 21 9.739 16.814 5.432 1.00 0.00 H new ATOM 0 HG22 VAL A 21 9.644 15.386 4.374 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.229 15.991 4.911 1.00 0.00 H new ATOM 351 N LEU A 22 13.351 17.030 2.061 1.00 0.00 N ATOM 352 CA LEU A 22 14.776 16.894 2.396 1.00 0.00 C ATOM 353 C LEU A 22 15.091 17.430 3.802 1.00 0.00 C ATOM 354 O LEU A 22 15.983 16.887 4.464 1.00 0.00 O ATOM 355 CB LEU A 22 15.638 17.656 1.373 1.00 0.00 C ATOM 356 CG LEU A 22 15.574 17.164 -0.084 1.00 0.00 C ATOM 357 CD1 LEU A 22 16.541 18.005 -0.923 1.00 0.00 C ATOM 358 CD2 LEU A 22 15.980 15.700 -0.239 1.00 0.00 C ATOM 0 H LEU A 22 13.143 17.881 1.538 1.00 0.00 H new ATOM 0 HA LEU A 22 15.009 15.829 2.371 1.00 0.00 H new ATOM 0 HB2 LEU A 22 15.342 18.705 1.392 1.00 0.00 H new ATOM 0 HB3 LEU A 22 16.676 17.612 1.702 1.00 0.00 H new ATOM 0 HG LEU A 22 14.539 17.263 -0.412 1.00 0.00 H new ATOM 0 HD11 LEU A 22 16.509 17.670 -1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 22 16.250 19.054 -0.871 1.00 0.00 H new ATOM 0 HD13 LEU A 22 17.553 17.890 -0.536 1.00 0.00 H new ATOM 0 HD21 LEU A 22 15.914 15.413 -1.289 1.00 0.00 H new ATOM 0 HD22 LEU A 22 17.004 15.568 0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 22 15.312 15.073 0.351 1.00 0.00 H new ATOM 370 N GLU A 23 14.397 18.477 4.261 1.00 0.00 N ATOM 371 CA GLU A 23 14.730 19.156 5.522 1.00 0.00 C ATOM 372 C GLU A 23 13.509 19.856 6.140 1.00 0.00 C ATOM 373 O GLU A 23 12.665 20.394 5.417 1.00 0.00 O ATOM 374 CB GLU A 23 15.886 20.142 5.269 1.00 0.00 C ATOM 375 CG GLU A 23 16.327 20.936 6.510 1.00 0.00 C ATOM 376 CD GLU A 23 17.665 21.679 6.320 1.00 0.00 C ATOM 377 OE1 GLU A 23 18.155 21.864 5.181 1.00 0.00 O ATOM 378 OE2 GLU A 23 18.262 22.092 7.344 1.00 0.00 O1- ATOM 0 H GLU A 23 13.594 18.877 3.775 1.00 0.00 H new ATOM 0 HA GLU A 23 15.048 18.411 6.251 1.00 0.00 H new ATOM 0 HB2 GLU A 23 16.742 19.588 4.884 1.00 0.00 H new ATOM 0 HB3 GLU A 23 15.585 20.844 4.492 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.552 21.659 6.764 1.00 0.00 H new ATOM 0 HG3 GLU A 23 16.416 20.254 7.356 1.00 0.00 H new ATOM 385 N VAL A 24 13.445 19.882 7.476 1.00 0.00 N ATOM 386 CA VAL A 24 12.436 20.587 8.284 1.00 0.00 C ATOM 387 C VAL A 24 13.128 21.303 9.455 1.00 0.00 C ATOM 388 O VAL A 24 14.002 20.721 10.102 1.00 0.00 O ATOM 389 CB VAL A 24 11.344 19.625 8.796 1.00 0.00 C ATOM 390 CG1 VAL A 24 10.238 20.365 9.559 1.00 0.00 C ATOM 391 CG2 VAL A 24 10.669 18.837 7.664 1.00 0.00 C ATOM 0 H VAL A 24 14.127 19.389 8.053 1.00 0.00 H new ATOM 0 HA VAL A 24 11.941 21.325 7.653 1.00 0.00 H new ATOM 0 HB VAL A 24 11.869 18.937 9.459 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.491 19.649 9.901 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.670 20.878 10.419 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.767 21.094 8.900 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.910 18.177 8.083 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.201 19.531 6.966 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.417 18.243 7.138 1.00 0.00 H new ATOM 401 N ARG A 25 12.745 22.553 9.740 1.00 0.00 N ATOM 402 CA ARG A 25 13.293 23.403 10.814 1.00 0.00 C ATOM 403 C ARG A 25 12.178 24.031 11.647 1.00 0.00 C ATOM 404 O ARG A 25 11.287 24.657 11.078 1.00 0.00 O ATOM 405 CB ARG A 25 14.169 24.526 10.213 1.00 0.00 C ATOM 406 CG ARG A 25 15.471 24.016 9.585 1.00 0.00 C ATOM 407 CD ARG A 25 16.265 25.165 8.948 1.00 0.00 C ATOM 408 NE ARG A 25 17.444 24.649 8.234 1.00 0.00 N ATOM 409 CZ ARG A 25 18.396 25.342 7.643 1.00 0.00 C ATOM 410 NH1 ARG A 25 19.329 24.699 7.009 1.00 0.00 N1+ ATOM 411 NH2 ARG A 25 18.438 26.646 7.656 1.00 0.00 N ATOM 0 H ARG A 25 12.013 23.024 9.208 1.00 0.00 H new ATOM 0 HA ARG A 25 13.898 22.768 11.460 1.00 0.00 H new ATOM 0 HB2 ARG A 25 13.594 25.059 9.456 1.00 0.00 H new ATOM 0 HB3 ARG A 25 14.410 25.246 10.995 1.00 0.00 H new ATOM 0 HG2 ARG A 25 16.079 23.528 10.347 1.00 0.00 H new ATOM 0 HG3 ARG A 25 15.244 23.264 8.829 1.00 0.00 H new ATOM 0 HD2 ARG A 25 15.627 25.715 8.257 1.00 0.00 H new ATOM 0 HD3 ARG A 25 16.580 25.868 9.719 1.00 0.00 H new ATOM 0 HE ARG A 25 17.535 23.634 8.192 1.00 0.00 H new ATOM 0 HH11 ARG A 25 19.314 23.680 6.976 1.00 0.00 H new ATOM 0 HH12 ARG A 25 20.077 25.213 6.543 1.00 0.00 H new ATOM 0 HH21 ARG A 25 17.712 27.175 8.139 1.00 0.00 H new ATOM 0 HH22 ARG A 25 19.197 27.137 7.183 1.00 0.00 H new ATOM 425 N ALA A 26 12.254 23.931 12.973 1.00 0.00 N ATOM 426 CA ALA A 26 11.485 24.763 13.904 1.00 0.00 C ATOM 427 C ALA A 26 12.310 26.013 14.262 1.00 0.00 C ATOM 428 O ALA A 26 13.343 25.919 14.928 1.00 0.00 O ATOM 429 CB ALA A 26 11.126 23.923 15.136 1.00 0.00 C ATOM 0 H ALA A 26 12.862 23.259 13.441 1.00 0.00 H new ATOM 0 HA ALA A 26 10.554 25.105 13.452 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.554 24.531 15.837 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.529 23.064 14.829 1.00 0.00 H new ATOM 0 HB3 ALA A 26 12.040 23.576 15.619 1.00 0.00 H new ATOM 464 N ALA A 30 8.036 29.686 13.918 1.00 0.00 N ATOM 465 CA ALA A 30 7.438 29.024 12.759 1.00 0.00 C ATOM 466 C ALA A 30 8.061 27.637 12.516 1.00 0.00 C ATOM 467 O ALA A 30 9.102 27.300 13.080 1.00 0.00 O ATOM 468 CB ALA A 30 7.641 29.937 11.535 1.00 0.00 C ATOM 0 HA ALA A 30 6.375 28.861 12.939 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.204 29.467 10.654 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.156 30.897 11.713 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.707 30.094 11.371 1.00 0.00 H new ATOM 474 N VAL A 31 7.451 26.855 11.615 1.00 0.00 N ATOM 475 CA VAL A 31 8.120 25.715 10.953 1.00 0.00 C ATOM 476 C VAL A 31 8.381 26.033 9.480 1.00 0.00 C ATOM 477 O VAL A 31 7.512 26.587 8.804 1.00 0.00 O ATOM 478 CB VAL A 31 7.351 24.392 11.126 1.00 0.00 C ATOM 479 CG1 VAL A 31 7.988 23.239 10.344 1.00 0.00 C ATOM 480 CG2 VAL A 31 7.337 23.973 12.599 1.00 0.00 C ATOM 0 H VAL A 31 6.483 26.990 11.322 1.00 0.00 H new ATOM 0 HA VAL A 31 9.080 25.568 11.448 1.00 0.00 H new ATOM 0 HB VAL A 31 6.345 24.578 10.750 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.408 22.329 10.500 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.001 23.483 9.282 1.00 0.00 H new ATOM 0 HG13 VAL A 31 9.009 23.083 10.693 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.790 23.036 12.706 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.361 23.837 12.948 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.851 24.747 13.193 1.00 0.00 H new ATOM 490 N ARG A 32 9.568 25.671 8.976 1.00 0.00 N ATOM 491 CA ARG A 32 9.978 25.780 7.567 1.00 0.00 C ATOM 492 C ARG A 32 10.425 24.420 7.016 1.00 0.00 C ATOM 493 O ARG A 32 10.933 23.580 7.763 1.00 0.00 O ATOM 494 CB ARG A 32 11.060 26.864 7.398 1.00 0.00 C ATOM 495 CG ARG A 32 10.484 28.262 7.650 1.00 0.00 C ATOM 496 CD ARG A 32 11.476 29.377 7.298 1.00 0.00 C ATOM 497 NE ARG A 32 10.789 30.680 7.203 1.00 0.00 N ATOM 498 CZ ARG A 32 10.604 31.577 8.156 1.00 0.00 C ATOM 499 NH1 ARG A 32 11.132 31.480 9.343 1.00 0.00 N1+ ATOM 500 NH2 ARG A 32 9.859 32.619 7.927 1.00 0.00 N ATOM 0 H ARG A 32 10.302 25.277 9.564 1.00 0.00 H new ATOM 0 HA ARG A 32 9.115 26.090 6.977 1.00 0.00 H new ATOM 0 HB2 ARG A 32 11.880 26.675 8.091 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.475 26.814 6.391 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.576 28.389 7.061 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.199 28.351 8.698 1.00 0.00 H new ATOM 0 HD2 ARG A 32 12.257 29.427 8.056 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.965 29.149 6.351 1.00 0.00 H new ATOM 0 HE ARG A 32 10.409 30.918 6.287 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.722 30.681 9.575 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.955 32.203 10.040 1.00 0.00 H new ATOM 0 HH21 ARG A 32 9.420 32.741 7.014 1.00 0.00 H new ATOM 0 HH22 ARG A 32 9.714 33.313 8.660 1.00 0.00 H new ATOM 514 N VAL A 33 10.224 24.206 5.713 1.00 0.00 N ATOM 515 CA VAL A 33 10.427 22.920 5.009 1.00 0.00 C ATOM 516 C VAL A 33 11.101 23.128 3.649 1.00 0.00 C ATOM 517 O VAL A 33 10.813 24.108 2.963 1.00 0.00 O ATOM 518 CB VAL A 33 9.086 22.172 4.800 1.00 0.00 C ATOM 519 CG1 VAL A 33 9.242 20.776 4.199 1.00 0.00 C ATOM 520 CG2 VAL A 33 8.256 22.035 6.085 1.00 0.00 C ATOM 0 H VAL A 33 9.903 24.946 5.089 1.00 0.00 H new ATOM 0 HA VAL A 33 11.078 22.316 5.642 1.00 0.00 H new ATOM 0 HB VAL A 33 8.561 22.811 4.090 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.260 20.318 4.084 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.724 20.851 3.224 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.854 20.162 4.860 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.331 21.502 5.866 1.00 0.00 H new ATOM 0 HG22 VAL A 33 8.827 21.480 6.829 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.020 23.026 6.473 1.00 0.00 H new ATOM 530 N THR A 34 11.950 22.181 3.236 1.00 0.00 N ATOM 531 CA THR A 34 12.553 22.110 1.886 1.00 0.00 C ATOM 532 C THR A 34 12.268 20.755 1.236 1.00 0.00 C ATOM 533 O THR A 34 12.462 19.711 1.861 1.00 0.00 O ATOM 534 CB THR A 34 14.069 22.362 1.938 1.00 0.00 C ATOM 535 OG1 THR A 34 14.353 23.608 2.539 1.00 0.00 O ATOM 536 CG2 THR A 34 14.719 22.385 0.551 1.00 0.00 C ATOM 0 H THR A 34 12.250 21.418 3.843 1.00 0.00 H new ATOM 0 HA THR A 34 12.097 22.893 1.281 1.00 0.00 H new ATOM 0 HB THR A 34 14.476 21.534 2.518 1.00 0.00 H new ATOM 0 HG1 THR A 34 15.323 23.746 2.563 1.00 0.00 H new ATOM 0 HG21 THR A 34 15.789 22.567 0.654 1.00 0.00 H new ATOM 0 HG22 THR A 34 14.560 21.426 0.058 1.00 0.00 H new ATOM 0 HG23 THR A 34 14.272 23.179 -0.047 1.00 0.00 H new ATOM 544 N THR A 35 11.830 20.756 -0.025 1.00 0.00 N ATOM 545 CA THR A 35 11.538 19.549 -0.831 1.00 0.00 C ATOM 546 C THR A 35 12.686 19.166 -1.774 1.00 0.00 C ATOM 547 O THR A 35 13.596 19.956 -2.031 1.00 0.00 O ATOM 548 CB THR A 35 10.247 19.720 -1.652 1.00 0.00 C ATOM 549 OG1 THR A 35 10.425 20.692 -2.661 1.00 0.00 O ATOM 550 CG2 THR A 35 9.023 20.099 -0.817 1.00 0.00 C ATOM 0 H THR A 35 11.660 21.621 -0.538 1.00 0.00 H new ATOM 0 HA THR A 35 11.410 18.741 -0.111 1.00 0.00 H new ATOM 0 HB THR A 35 10.052 18.739 -2.086 1.00 0.00 H new ATOM 0 HG1 THR A 35 10.627 21.558 -2.249 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.155 20.201 -1.469 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.832 19.321 -0.077 1.00 0.00 H new ATOM 0 HG23 THR A 35 9.208 21.046 -0.309 1.00 0.00 H new ATOM 558 N LEU A 36 12.619 17.961 -2.354 1.00 0.00 N ATOM 559 CA LEU A 36 13.575 17.485 -3.364 1.00 0.00 C ATOM 560 C LEU A 36 13.591 18.299 -4.679 1.00 0.00 C ATOM 561 O LEU A 36 14.536 18.187 -5.461 1.00 0.00 O ATOM 562 CB LEU A 36 13.373 15.975 -3.609 1.00 0.00 C ATOM 563 CG LEU A 36 12.262 15.572 -4.604 1.00 0.00 C ATOM 564 CD1 LEU A 36 12.250 14.052 -4.763 1.00 0.00 C ATOM 565 CD2 LEU A 36 10.870 16.006 -4.154 1.00 0.00 C ATOM 0 H LEU A 36 11.892 17.281 -2.133 1.00 0.00 H new ATOM 0 HA LEU A 36 14.569 17.651 -2.949 1.00 0.00 H new ATOM 0 HB2 LEU A 36 14.315 15.560 -3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.159 15.501 -2.651 1.00 0.00 H new ATOM 0 HG LEU A 36 12.488 16.077 -5.543 1.00 0.00 H new ATOM 0 HD11 LEU A 36 11.467 13.766 -5.465 1.00 0.00 H new ATOM 0 HD12 LEU A 36 13.216 13.718 -5.142 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.059 13.587 -3.796 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.134 15.694 -4.895 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.637 15.544 -3.195 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.843 17.091 -4.051 1.00 0.00 H new ATOM 577 N PHE A 37 12.566 19.125 -4.918 1.00 0.00 N ATOM 578 CA PHE A 37 12.484 20.054 -6.053 1.00 0.00 C ATOM 579 C PHE A 37 13.239 21.385 -5.821 1.00 0.00 C ATOM 580 O PHE A 37 13.222 22.262 -6.686 1.00 0.00 O ATOM 581 CB PHE A 37 11.000 20.332 -6.365 1.00 0.00 C ATOM 582 CG PHE A 37 10.135 19.097 -6.574 1.00 0.00 C ATOM 583 CD1 PHE A 37 9.045 18.839 -5.720 1.00 0.00 C ATOM 584 CD2 PHE A 37 10.411 18.215 -7.636 1.00 0.00 C ATOM 585 CE1 PHE A 37 8.237 17.701 -5.922 1.00 0.00 C ATOM 586 CE2 PHE A 37 9.612 17.074 -7.832 1.00 0.00 C ATOM 587 CZ PHE A 37 8.524 16.816 -6.975 1.00 0.00 C ATOM 0 H PHE A 37 11.747 19.167 -4.311 1.00 0.00 H new ATOM 0 HA PHE A 37 12.976 19.575 -6.899 1.00 0.00 H new ATOM 0 HB2 PHE A 37 10.578 20.917 -5.548 1.00 0.00 H new ATOM 0 HB3 PHE A 37 10.944 20.950 -7.261 1.00 0.00 H new ATOM 0 HD1 PHE A 37 8.827 19.516 -4.907 1.00 0.00 H new ATOM 0 HD2 PHE A 37 11.238 18.415 -8.302 1.00 0.00 H new ATOM 0 HE1 PHE A 37 7.399 17.510 -5.268 1.00 0.00 H new ATOM 0 HE2 PHE A 37 9.833 16.394 -8.641 1.00 0.00 H new ATOM 0 HZ PHE A 37 7.912 15.940 -7.127 1.00 0.00 H new ATOM 597 N ASP A 38 13.860 21.559 -4.646 1.00 0.00 N ATOM 598 CA ASP A 38 14.357 22.836 -4.103 1.00 0.00 C ATOM 599 C ASP A 38 13.244 23.891 -3.867 1.00 0.00 C ATOM 600 O ASP A 38 13.535 25.065 -3.624 1.00 0.00 O ATOM 601 CB ASP A 38 15.562 23.381 -4.897 1.00 0.00 C ATOM 602 CG ASP A 38 16.698 22.374 -5.137 1.00 0.00 C ATOM 603 OD1 ASP A 38 17.359 22.462 -6.202 1.00 0.00 O ATOM 604 OD2 ASP A 38 16.982 21.521 -4.260 1.00 0.00 O1- ATOM 0 H ASP A 38 14.039 20.777 -4.016 1.00 0.00 H new ATOM 0 HA ASP A 38 14.730 22.608 -3.105 1.00 0.00 H new ATOM 0 HB2 ASP A 38 15.207 23.741 -5.863 1.00 0.00 H new ATOM 0 HB3 ASP A 38 15.968 24.242 -4.365 1.00 0.00 H new ATOM 609 N GLU A 39 11.970 23.486 -3.907 1.00 0.00 N ATOM 610 CA GLU A 39 10.832 24.300 -3.461 1.00 0.00 C ATOM 611 C GLU A 39 10.752 24.310 -1.922 1.00 0.00 C ATOM 612 O GLU A 39 11.100 23.323 -1.264 1.00 0.00 O ATOM 613 CB GLU A 39 9.534 23.806 -4.135 1.00 0.00 C ATOM 614 CG GLU A 39 8.221 24.470 -3.681 1.00 0.00 C ATOM 615 CD GLU A 39 8.125 25.972 -4.038 1.00 0.00 C ATOM 616 OE1 GLU A 39 7.159 26.365 -4.737 1.00 0.00 O ATOM 617 OE2 GLU A 39 9.000 26.772 -3.620 1.00 0.00 O1- ATOM 0 H GLU A 39 11.695 22.568 -4.256 1.00 0.00 H new ATOM 0 HA GLU A 39 10.973 25.336 -3.769 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.634 23.950 -5.211 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.449 22.733 -3.964 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.382 23.944 -4.136 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.121 24.356 -2.602 1.00 0.00 H new ATOM 624 N GLU A 40 10.290 25.419 -1.346 1.00 0.00 N ATOM 625 CA GLU A 40 10.268 25.671 0.101 1.00 0.00 C ATOM 626 C GLU A 40 8.888 26.131 0.603 1.00 0.00 C ATOM 627 O GLU A 40 8.123 26.783 -0.116 1.00 0.00 O ATOM 628 CB GLU A 40 11.343 26.702 0.487 1.00 0.00 C ATOM 629 CG GLU A 40 12.775 26.198 0.243 1.00 0.00 C ATOM 630 CD GLU A 40 13.849 27.254 0.579 1.00 0.00 C ATOM 631 OE1 GLU A 40 14.947 27.221 -0.037 1.00 0.00 O ATOM 632 OE2 GLU A 40 13.626 28.132 1.453 1.00 0.00 O1- ATOM 0 H GLU A 40 9.908 26.194 -1.888 1.00 0.00 H new ATOM 0 HA GLU A 40 10.486 24.720 0.587 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.183 27.616 -0.085 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.229 26.960 1.540 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.948 25.306 0.845 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.878 25.902 -0.801 1.00 0.00 H new ATOM 639 N HIS A 41 8.595 25.824 1.869 1.00 0.00 N ATOM 640 CA HIS A 41 7.332 26.127 2.559 1.00 0.00 C ATOM 641 C HIS A 41 7.589 26.707 3.961 1.00 0.00 C ATOM 642 O HIS A 41 8.620 26.414 4.568 1.00 0.00 O ATOM 643 CB HIS A 41 6.453 24.869 2.632 1.00 0.00 C ATOM 644 CG HIS A 41 6.262 24.153 1.308 1.00 0.00 C ATOM 645 ND1 HIS A 41 5.354 24.521 0.306 1.00 0.00 N ATOM 646 CD2 HIS A 41 6.968 23.066 0.887 1.00 0.00 C ATOM 647 CE1 HIS A 41 5.536 23.643 -0.696 1.00 0.00 C ATOM 648 NE2 HIS A 41 6.500 22.762 -0.372 1.00 0.00 N ATOM 0 H HIS A 41 9.259 25.336 2.470 1.00 0.00 H new ATOM 0 HA HIS A 41 6.800 26.886 1.985 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.896 24.174 3.345 1.00 0.00 H new ATOM 0 HB3 HIS A 41 5.475 25.148 3.024 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.741 22.546 1.433 1.00 0.00 H new ATOM 0 HE1 HIS A 41 4.988 23.645 -1.626 1.00 0.00 H new ATOM 0 HE2 HIS A 41 6.829 21.997 -0.961 1.00 0.00 H new ATOM 656 N ALA A 42 6.648 27.496 4.486 1.00 0.00 N ATOM 657 CA ALA A 42 6.752 28.154 5.793 1.00 0.00 C ATOM 658 C ALA A 42 5.376 28.329 6.468 1.00 0.00 C ATOM 659 O ALA A 42 4.387 28.689 5.816 1.00 0.00 O ATOM 660 CB ALA A 42 7.456 29.507 5.607 1.00 0.00 C ATOM 0 H ALA A 42 5.773 27.700 4.004 1.00 0.00 H new ATOM 0 HA ALA A 42 7.338 27.521 6.460 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.541 30.009 6.571 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.451 29.345 5.193 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.876 30.128 4.925 1.00 0.00 H new ATOM 666 N PHE A 43 5.324 28.097 7.783 1.00 0.00 N ATOM 667 CA PHE A 43 4.099 28.044 8.588 1.00 0.00 C ATOM 668 C PHE A 43 4.312 28.669 9.984 1.00 0.00 C ATOM 669 O PHE A 43 4.787 27.986 10.903 1.00 0.00 O ATOM 670 CB PHE A 43 3.624 26.586 8.699 1.00 0.00 C ATOM 671 CG PHE A 43 3.421 25.887 7.365 1.00 0.00 C ATOM 672 CD1 PHE A 43 4.446 25.072 6.838 1.00 0.00 C ATOM 673 CD2 PHE A 43 2.232 26.083 6.638 1.00 0.00 C ATOM 674 CE1 PHE A 43 4.283 24.464 5.584 1.00 0.00 C ATOM 675 CE2 PHE A 43 2.069 25.471 5.384 1.00 0.00 C ATOM 676 CZ PHE A 43 3.093 24.665 4.856 1.00 0.00 C ATOM 0 H PHE A 43 6.165 27.935 8.337 1.00 0.00 H new ATOM 0 HA PHE A 43 3.328 28.633 8.092 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.352 26.023 9.283 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.686 26.564 9.253 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.355 24.917 7.400 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.446 26.703 7.044 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.068 23.843 5.177 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.157 25.620 4.825 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.967 24.199 3.890 1.00 0.00 H new ATOM 686 N PRO A 44 3.981 29.963 10.175 1.00 0.00 N ATOM 687 CA PRO A 44 4.045 30.633 11.471 1.00 0.00 C ATOM 688 C PRO A 44 3.110 30.017 12.527 1.00 0.00 C ATOM 689 O PRO A 44 2.015 29.536 12.216 1.00 0.00 O ATOM 690 CB PRO A 44 3.708 32.106 11.200 1.00 0.00 C ATOM 691 CG PRO A 44 4.065 32.289 9.726 1.00 0.00 C ATOM 692 CD PRO A 44 3.681 30.935 9.136 1.00 0.00 C ATOM 0 HA PRO A 44 5.039 30.518 11.902 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.655 32.318 11.387 1.00 0.00 H new ATOM 0 HB3 PRO A 44 4.286 32.774 11.839 1.00 0.00 H new ATOM 0 HG2 PRO A 44 3.507 33.106 9.269 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.123 32.509 9.587 1.00 0.00 H new ATOM 0 HD2 PRO A 44 2.625 30.909 8.866 1.00 0.00 H new ATOM 0 HD3 PRO A 44 4.247 30.727 8.228 1.00 0.00 H new ATOM 700 N GLY A 45 3.547 30.052 13.788 1.00 0.00 N ATOM 701 CA GLY A 45 2.793 29.571 14.955 1.00 0.00 C ATOM 702 C GLY A 45 2.853 28.052 15.182 1.00 0.00 C ATOM 703 O GLY A 45 2.231 27.554 16.123 1.00 0.00 O ATOM 0 H GLY A 45 4.463 30.427 14.036 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.172 30.072 15.846 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.750 29.866 14.842 1.00 0.00 H new ATOM 707 N LEU A 46 3.586 27.311 14.343 1.00 0.00 N ATOM 708 CA LEU A 46 3.794 25.862 14.492 1.00 0.00 C ATOM 709 C LEU A 46 5.133 25.516 15.165 1.00 0.00 C ATOM 710 O LEU A 46 6.085 26.304 15.156 1.00 0.00 O ATOM 711 CB LEU A 46 3.659 25.146 13.134 1.00 0.00 C ATOM 712 CG LEU A 46 2.321 25.328 12.399 1.00 0.00 C ATOM 713 CD1 LEU A 46 2.273 24.383 11.197 1.00 0.00 C ATOM 714 CD2 LEU A 46 1.097 25.012 13.263 1.00 0.00 C ATOM 0 H LEU A 46 4.059 27.704 13.529 1.00 0.00 H new ATOM 0 HA LEU A 46 3.010 25.501 15.158 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.459 25.496 12.481 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.821 24.080 13.292 1.00 0.00 H new ATOM 0 HG LEU A 46 2.277 26.379 12.113 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.326 24.509 10.673 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.096 24.613 10.520 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.364 23.353 11.540 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.190 25.163 12.678 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.145 23.976 13.597 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.083 25.672 14.130 1.00 0.00 H new ATOM 726 N ALA A 47 5.207 24.287 15.681 1.00 0.00 N ATOM 727 CA ALA A 47 6.411 23.563 16.092 1.00 0.00 C ATOM 728 C ALA A 47 6.296 22.064 15.741 1.00 0.00 C ATOM 729 O ALA A 47 5.192 21.553 15.538 1.00 0.00 O ATOM 730 CB ALA A 47 6.633 23.798 17.592 1.00 0.00 C ATOM 0 H ALA A 47 4.365 23.732 15.833 1.00 0.00 H new ATOM 0 HA ALA A 47 7.280 23.936 15.550 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.527 23.265 17.915 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.759 24.865 17.778 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.771 23.432 18.149 1.00 0.00 H new ATOM 736 N ILE A 48 7.425 21.351 15.666 1.00 0.00 N ATOM 737 CA ILE A 48 7.449 19.902 15.395 1.00 0.00 C ATOM 738 C ILE A 48 6.985 19.157 16.661 1.00 0.00 C ATOM 739 O ILE A 48 7.601 19.299 17.718 1.00 0.00 O ATOM 740 CB ILE A 48 8.850 19.435 14.929 1.00 0.00 C ATOM 741 CG1 ILE A 48 9.352 20.180 13.665 1.00 0.00 C ATOM 742 CG2 ILE A 48 8.844 17.919 14.656 1.00 0.00 C ATOM 743 CD1 ILE A 48 10.878 20.160 13.532 1.00 0.00 C ATOM 0 H ILE A 48 8.351 21.759 15.791 1.00 0.00 H new ATOM 0 HA ILE A 48 6.767 19.672 14.576 1.00 0.00 H new ATOM 0 HB ILE A 48 9.537 19.672 15.741 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.909 19.724 12.780 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.008 21.214 13.697 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.835 17.604 14.329 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.577 17.386 15.568 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.116 17.692 13.877 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.172 20.696 12.630 1.00 0.00 H new ATOM 0 HD12 ILE A 48 11.325 20.641 14.402 1.00 0.00 H new ATOM 0 HD13 ILE A 48 11.224 19.128 13.470 1.00 0.00 H new ATOM 755 N GLY A 49 5.906 18.377 16.569 1.00 0.00 N ATOM 756 CA GLY A 49 5.281 17.681 17.709 1.00 0.00 C ATOM 757 C GLY A 49 5.638 16.197 17.816 1.00 0.00 C ATOM 758 O GLY A 49 5.845 15.694 18.922 1.00 0.00 O ATOM 0 H GLY A 49 5.428 18.204 15.684 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.577 18.181 18.631 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.198 17.777 17.628 1.00 0.00 H new ATOM 762 N ARG A 50 5.733 15.490 16.683 1.00 0.00 N ATOM 763 CA ARG A 50 6.003 14.041 16.603 1.00 0.00 C ATOM 764 C ARG A 50 6.678 13.679 15.275 1.00 0.00 C ATOM 765 O ARG A 50 6.363 14.258 14.236 1.00 0.00 O ATOM 766 CB ARG A 50 4.679 13.275 16.834 1.00 0.00 C ATOM 767 CG ARG A 50 4.773 11.749 16.676 1.00 0.00 C ATOM 768 CD ARG A 50 3.449 11.077 17.066 1.00 0.00 C ATOM 769 NE ARG A 50 3.542 9.603 16.979 1.00 0.00 N ATOM 770 CZ ARG A 50 3.132 8.811 16.008 1.00 0.00 C ATOM 771 NH1 ARG A 50 2.517 9.231 14.940 1.00 0.00 N1+ ATOM 772 NH2 ARG A 50 3.385 7.543 16.090 1.00 0.00 N ATOM 0 H ARG A 50 5.621 15.920 15.765 1.00 0.00 H new ATOM 0 HA ARG A 50 6.706 13.747 17.382 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.318 13.499 17.838 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.932 13.652 16.135 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.022 11.501 15.644 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.579 11.363 17.300 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.179 11.366 18.082 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.653 11.432 16.411 1.00 0.00 H new ATOM 0 HE ARG A 50 3.981 9.139 17.774 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.327 10.226 14.819 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.225 8.565 14.224 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.892 7.175 16.895 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.077 6.913 15.350 1.00 0.00 H new ATOM 786 N VAL A 51 7.550 12.675 15.306 1.00 0.00 N ATOM 787 CA VAL A 51 8.165 12.048 14.124 1.00 0.00 C ATOM 788 C VAL A 51 8.026 10.529 14.232 1.00 0.00 C ATOM 789 O VAL A 51 8.500 9.929 15.195 1.00 0.00 O ATOM 790 CB VAL A 51 9.635 12.473 13.932 1.00 0.00 C ATOM 791 CG1 VAL A 51 10.166 11.983 12.582 1.00 0.00 C ATOM 792 CG2 VAL A 51 9.828 13.998 13.993 1.00 0.00 C ATOM 0 H VAL A 51 7.863 12.256 16.182 1.00 0.00 H new ATOM 0 HA VAL A 51 7.637 12.395 13.235 1.00 0.00 H new ATOM 0 HB VAL A 51 10.187 12.019 14.755 1.00 0.00 H new ATOM 0 HG11 VAL A 51 11.205 12.293 12.465 1.00 0.00 H new ATOM 0 HG12 VAL A 51 10.105 10.896 12.540 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.567 12.411 11.778 1.00 0.00 H new ATOM 0 HG21 VAL A 51 10.882 14.237 13.852 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.240 14.471 13.207 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.499 14.368 14.964 1.00 0.00 H new ATOM 802 N ASP A 52 7.351 9.907 13.266 1.00 0.00 N ATOM 803 CA ASP A 52 7.025 8.477 13.242 1.00 0.00 C ATOM 804 C ASP A 52 7.718 7.798 12.050 1.00 0.00 C ATOM 805 O ASP A 52 7.239 7.840 10.913 1.00 0.00 O ATOM 806 CB ASP A 52 5.495 8.323 13.221 1.00 0.00 C ATOM 807 CG ASP A 52 5.001 6.868 13.313 1.00 0.00 C ATOM 808 OD1 ASP A 52 3.769 6.666 13.426 1.00 0.00 O ATOM 809 OD2 ASP A 52 5.830 5.931 13.348 1.00 0.00 O1- ATOM 0 H ASP A 52 7.002 10.402 12.446 1.00 0.00 H new ATOM 0 HA ASP A 52 7.397 7.976 14.136 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.074 8.890 14.051 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.110 8.767 12.303 1.00 0.00 H new ATOM 814 N LEU A 53 8.878 7.196 12.314 1.00 0.00 N ATOM 815 CA LEU A 53 9.784 6.675 11.287 1.00 0.00 C ATOM 816 C LEU A 53 9.301 5.349 10.663 1.00 0.00 C ATOM 817 O LEU A 53 9.890 4.884 9.682 1.00 0.00 O ATOM 818 CB LEU A 53 11.219 6.558 11.837 1.00 0.00 C ATOM 819 CG LEU A 53 11.947 7.856 12.264 1.00 0.00 C ATOM 820 CD1 LEU A 53 11.871 8.953 11.200 1.00 0.00 C ATOM 821 CD2 LEU A 53 11.499 8.422 13.610 1.00 0.00 C ATOM 0 H LEU A 53 9.221 7.054 13.264 1.00 0.00 H new ATOM 0 HA LEU A 53 9.784 7.398 10.472 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.192 5.892 12.700 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.828 6.069 11.077 1.00 0.00 H new ATOM 0 HG LEU A 53 12.983 7.538 12.379 1.00 0.00 H new ATOM 0 HD11 LEU A 53 12.398 9.839 11.553 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.333 8.599 10.279 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.827 9.203 11.009 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.061 9.330 13.828 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.435 8.655 13.571 1.00 0.00 H new ATOM 0 HD23 LEU A 53 11.681 7.686 14.393 1.00 0.00 H new ATOM 833 N ARG A 54 8.196 4.779 11.159 1.00 0.00 N ATOM 834 CA ARG A 54 7.515 3.617 10.550 1.00 0.00 C ATOM 835 C ARG A 54 6.994 3.909 9.138 1.00 0.00 C ATOM 836 O ARG A 54 6.923 3.000 8.309 1.00 0.00 O ATOM 837 CB ARG A 54 6.361 3.147 11.450 1.00 0.00 C ATOM 838 CG ARG A 54 6.812 2.765 12.871 1.00 0.00 C ATOM 839 CD ARG A 54 5.594 2.404 13.731 1.00 0.00 C ATOM 840 NE ARG A 54 5.947 2.269 15.157 1.00 0.00 N ATOM 841 CZ ARG A 54 5.975 3.255 16.038 1.00 0.00 C ATOM 842 NH1 ARG A 54 5.836 4.504 15.727 1.00 0.00 N1+ ATOM 843 NH2 ARG A 54 6.134 3.027 17.308 1.00 0.00 N ATOM 0 H ARG A 54 7.739 5.113 12.007 1.00 0.00 H new ATOM 0 HA ARG A 54 8.259 2.825 10.460 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.614 3.938 11.514 1.00 0.00 H new ATOM 0 HB3 ARG A 54 5.876 2.288 10.987 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.500 1.921 12.828 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.354 3.595 13.324 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.829 3.172 13.618 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.162 1.469 13.374 1.00 0.00 H new ATOM 0 HE ARG A 54 6.190 1.337 15.492 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.695 4.775 14.754 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.867 5.217 16.455 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.241 2.070 17.645 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.152 3.805 17.967 1.00 0.00 H new ATOM 857 N SER A 55 6.668 5.176 8.856 1.00 0.00 N ATOM 858 CA SER A 55 6.245 5.681 7.534 1.00 0.00 C ATOM 859 C SER A 55 6.870 7.054 7.181 1.00 0.00 C ATOM 860 O SER A 55 6.476 7.714 6.215 1.00 0.00 O ATOM 861 CB SER A 55 4.705 5.683 7.479 1.00 0.00 C ATOM 862 OG SER A 55 4.204 5.864 6.163 1.00 0.00 O ATOM 0 H SER A 55 6.691 5.909 9.565 1.00 0.00 H new ATOM 0 HA SER A 55 6.624 5.013 6.761 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.330 4.741 7.880 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.324 6.477 8.121 1.00 0.00 H new ATOM 0 HG SER A 55 3.249 6.079 6.203 1.00 0.00 H new ATOM 868 N GLY A 56 7.846 7.523 7.967 1.00 0.00 N ATOM 869 CA GLY A 56 8.526 8.813 7.778 1.00 0.00 C ATOM 870 C GLY A 56 7.610 10.033 7.968 1.00 0.00 C ATOM 871 O GLY A 56 7.798 11.041 7.292 1.00 0.00 O ATOM 0 H GLY A 56 8.195 7.004 8.773 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.356 8.881 8.481 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.953 8.844 6.776 1.00 0.00 H new ATOM 875 N VAL A 57 6.592 9.950 8.835 1.00 0.00 N ATOM 876 CA VAL A 57 5.620 11.036 9.052 1.00 0.00 C ATOM 877 C VAL A 57 6.139 12.052 10.070 1.00 0.00 C ATOM 878 O VAL A 57 6.457 11.688 11.199 1.00 0.00 O ATOM 879 CB VAL A 57 4.239 10.486 9.472 1.00 0.00 C ATOM 880 CG1 VAL A 57 3.236 11.609 9.769 1.00 0.00 C ATOM 881 CG2 VAL A 57 3.640 9.640 8.342 1.00 0.00 C ATOM 0 H VAL A 57 6.417 9.125 9.409 1.00 0.00 H new ATOM 0 HA VAL A 57 5.494 11.552 8.100 1.00 0.00 H new ATOM 0 HB VAL A 57 4.405 9.894 10.372 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.279 11.175 10.060 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.615 12.230 10.581 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.100 12.221 8.877 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.667 9.258 8.650 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.522 10.255 7.450 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.304 8.805 8.122 1.00 0.00 H new ATOM 891 N ILE A 58 6.191 13.327 9.690 1.00 0.00 N ATOM 892 CA ILE A 58 6.501 14.480 10.554 1.00 0.00 C ATOM 893 C ILE A 58 5.190 15.228 10.853 1.00 0.00 C ATOM 894 O ILE A 58 4.606 15.847 9.966 1.00 0.00 O ATOM 895 CB ILE A 58 7.568 15.370 9.867 1.00 0.00 C ATOM 896 CG1 ILE A 58 8.932 14.635 9.808 1.00 0.00 C ATOM 897 CG2 ILE A 58 7.724 16.734 10.570 1.00 0.00 C ATOM 898 CD1 ILE A 58 9.992 15.322 8.938 1.00 0.00 C ATOM 0 H ILE A 58 6.010 13.605 8.725 1.00 0.00 H new ATOM 0 HA ILE A 58 6.927 14.163 11.506 1.00 0.00 H new ATOM 0 HB ILE A 58 7.223 15.563 8.851 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.321 14.537 10.822 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.770 13.626 9.430 1.00 0.00 H new ATOM 0 HG21 ILE A 58 8.482 17.324 10.055 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.773 17.266 10.548 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.028 16.577 11.605 1.00 0.00 H new ATOM 0 HD11 ILE A 58 10.912 14.738 8.956 1.00 0.00 H new ATOM 0 HD12 ILE A 58 9.629 15.396 7.913 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.189 16.321 9.326 1.00 0.00 H new ATOM 910 N SER A 59 4.718 15.162 12.098 1.00 0.00 N ATOM 911 CA SER A 59 3.495 15.841 12.553 1.00 0.00 C ATOM 912 C SER A 59 3.819 17.169 13.237 1.00 0.00 C ATOM 913 O SER A 59 4.536 17.200 14.243 1.00 0.00 O ATOM 914 CB SER A 59 2.694 14.957 13.520 1.00 0.00 C ATOM 915 OG SER A 59 2.332 13.725 12.917 1.00 0.00 O ATOM 0 H SER A 59 5.179 14.627 12.834 1.00 0.00 H new ATOM 0 HA SER A 59 2.892 16.036 11.666 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.286 14.766 14.415 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.796 15.485 13.839 1.00 0.00 H new ATOM 0 HG SER A 59 1.825 13.184 13.558 1.00 0.00 H new ATOM 921 N LEU A 60 3.268 18.271 12.721 1.00 0.00 N ATOM 922 CA LEU A 60 3.375 19.610 13.315 1.00 0.00 C ATOM 923 C LEU A 60 2.157 19.952 14.187 1.00 0.00 C ATOM 924 O LEU A 60 1.041 19.494 13.925 1.00 0.00 O ATOM 925 CB LEU A 60 3.569 20.675 12.222 1.00 0.00 C ATOM 926 CG LEU A 60 4.634 20.367 11.151 1.00 0.00 C ATOM 927 CD1 LEU A 60 4.769 21.576 10.223 1.00 0.00 C ATOM 928 CD2 LEU A 60 6.005 20.059 11.754 1.00 0.00 C ATOM 0 H LEU A 60 2.722 18.259 11.859 1.00 0.00 H new ATOM 0 HA LEU A 60 4.251 19.606 13.964 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.614 20.829 11.720 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.831 21.617 12.704 1.00 0.00 H new ATOM 0 HG LEU A 60 4.304 19.481 10.609 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.521 21.368 9.461 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.811 21.775 9.743 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.072 22.448 10.803 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.715 19.850 10.954 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.350 20.917 12.331 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.928 19.190 12.408 1.00 0.00 H new ATOM 940 N ILE A 61 2.374 20.785 15.204 1.00 0.00 N ATOM 941 CA ILE A 61 1.384 21.237 16.196 1.00 0.00 C ATOM 942 C ILE A 61 1.517 22.744 16.437 1.00 0.00 C ATOM 943 O ILE A 61 2.552 23.334 16.125 1.00 0.00 O ATOM 944 CB ILE A 61 1.483 20.408 17.506 1.00 0.00 C ATOM 945 CG1 ILE A 61 2.889 20.321 18.151 1.00 0.00 C ATOM 946 CG2 ILE A 61 0.973 18.976 17.243 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.335 21.542 18.963 1.00 0.00 C ATOM 0 H ILE A 61 3.296 21.189 15.372 1.00 0.00 H new ATOM 0 HA ILE A 61 0.384 21.063 15.799 1.00 0.00 H new ATOM 0 HB ILE A 61 0.867 20.949 18.224 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.914 19.448 18.803 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.619 20.149 17.360 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.041 18.391 18.160 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.065 19.014 16.913 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.582 18.509 16.469 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.333 21.367 19.365 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.353 22.421 18.318 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.637 21.708 19.783 1.00 0.00 H new ATOM 959 N GLU A 62 0.486 23.393 16.983 1.00 0.00 N ATOM 960 CA GLU A 62 0.573 24.805 17.397 1.00 0.00 C ATOM 961 C GLU A 62 1.495 24.956 18.622 1.00 0.00 C ATOM 962 O GLU A 62 1.373 24.206 19.595 1.00 0.00 O ATOM 963 CB GLU A 62 -0.819 25.383 17.697 1.00 0.00 C ATOM 964 CG GLU A 62 -1.704 25.428 16.445 1.00 0.00 C ATOM 965 CD GLU A 62 -3.087 26.050 16.734 1.00 0.00 C ATOM 966 OE1 GLU A 62 -4.122 25.384 16.469 1.00 0.00 O ATOM 967 OE2 GLU A 62 -3.160 27.209 17.211 1.00 0.00 O1- ATOM 0 H GLU A 62 -0.425 22.965 17.151 1.00 0.00 H new ATOM 0 HA GLU A 62 1.001 25.370 16.569 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.305 24.779 18.463 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.714 26.389 18.103 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.203 26.005 15.668 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.835 24.418 16.058 1.00 0.00 H new ATOM 974 N GLU A 63 2.432 25.911 18.583 1.00 0.00 N ATOM 975 CA GLU A 63 3.500 26.017 19.593 1.00 0.00 C ATOM 976 C GLU A 63 3.016 26.444 21.001 1.00 0.00 C ATOM 977 O GLU A 63 3.721 26.206 21.988 1.00 0.00 O ATOM 978 CB GLU A 63 4.618 26.938 19.078 1.00 0.00 C ATOM 979 CG GLU A 63 4.212 28.406 18.872 1.00 0.00 C ATOM 980 CD GLU A 63 5.333 29.391 19.260 1.00 0.00 C ATOM 981 OE1 GLU A 63 5.065 30.336 20.040 1.00 0.00 O ATOM 982 OE2 GLU A 63 6.488 29.235 18.790 1.00 0.00 O1- ATOM 0 H GLU A 63 2.475 26.628 17.859 1.00 0.00 H new ATOM 0 HA GLU A 63 3.889 25.009 19.733 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.449 26.903 19.782 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.985 26.543 18.131 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.942 28.561 17.827 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.323 28.620 19.466 1.00 0.00 H new ATOM 1115 N MET B 3 14.542 4.121 9.533 1.00 0.00 N ATOM 1116 CA MET B 3 14.733 4.764 10.842 1.00 0.00 C ATOM 1117 C MET B 3 15.733 5.918 10.824 1.00 0.00 C ATOM 1118 O MET B 3 16.676 5.940 10.028 1.00 0.00 O ATOM 1119 CB MET B 3 15.163 3.726 11.877 1.00 0.00 C ATOM 1120 CG MET B 3 13.994 2.801 12.234 1.00 0.00 C ATOM 1121 SD MET B 3 14.500 1.303 13.101 1.00 0.00 S ATOM 1122 CE MET B 3 15.432 0.499 11.767 1.00 0.00 C ATOM 0 HA MET B 3 13.769 5.196 11.110 1.00 0.00 H new ATOM 0 HB2 MET B 3 15.993 3.137 11.486 1.00 0.00 H new ATOM 0 HB3 MET B 3 15.523 4.228 12.775 1.00 0.00 H new ATOM 0 HG2 MET B 3 13.285 3.348 12.855 1.00 0.00 H new ATOM 0 HG3 MET B 3 13.469 2.523 11.320 1.00 0.00 H new ATOM 0 HE1 MET B 3 15.444 -0.579 11.930 1.00 0.00 H new ATOM 0 HE2 MET B 3 14.958 0.716 10.810 1.00 0.00 H new ATOM 0 HE3 MET B 3 16.455 0.876 11.759 1.00 0.00 H new ATOM 1132 N ALA B 4 15.541 6.859 11.745 1.00 0.00 N ATOM 1133 CA ALA B 4 16.412 8.004 11.965 1.00 0.00 C ATOM 1134 C ALA B 4 17.519 7.708 12.995 1.00 0.00 C ATOM 1135 O ALA B 4 17.545 6.647 13.629 1.00 0.00 O ATOM 1136 CB ALA B 4 15.520 9.170 12.414 1.00 0.00 C ATOM 0 H ALA B 4 14.744 6.842 12.381 1.00 0.00 H new ATOM 0 HA ALA B 4 16.937 8.254 11.043 1.00 0.00 H new ATOM 0 HB1 ALA B 4 16.136 10.052 12.591 1.00 0.00 H new ATOM 0 HB2 ALA B 4 14.788 9.388 11.637 1.00 0.00 H new ATOM 0 HB3 ALA B 4 15.002 8.899 13.334 1.00 0.00 H new ATOM 1142 N LYS B 5 18.393 8.692 13.216 1.00 0.00 N ATOM 1143 CA LYS B 5 19.256 8.807 14.395 1.00 0.00 C ATOM 1144 C LYS B 5 19.084 10.177 15.065 1.00 0.00 C ATOM 1145 O LYS B 5 19.018 11.199 14.379 1.00 0.00 O ATOM 1146 CB LYS B 5 20.719 8.460 14.053 1.00 0.00 C ATOM 1147 CG LYS B 5 21.343 9.304 12.922 1.00 0.00 C ATOM 1148 CD LYS B 5 22.807 8.881 12.722 1.00 0.00 C ATOM 1149 CE LYS B 5 23.517 9.654 11.599 1.00 0.00 C ATOM 1150 NZ LYS B 5 23.045 9.264 10.248 1.00 0.00 N1+ ATOM 0 H LYS B 5 18.525 9.458 12.556 1.00 0.00 H new ATOM 0 HA LYS B 5 18.945 8.069 15.134 1.00 0.00 H new ATOM 0 HB2 LYS B 5 21.324 8.580 14.951 1.00 0.00 H new ATOM 0 HB3 LYS B 5 20.771 7.408 13.772 1.00 0.00 H new ATOM 0 HG2 LYS B 5 20.783 9.165 11.997 1.00 0.00 H new ATOM 0 HG3 LYS B 5 21.289 10.364 13.171 1.00 0.00 H new ATOM 0 HD2 LYS B 5 23.351 9.029 13.655 1.00 0.00 H new ATOM 0 HD3 LYS B 5 22.842 7.815 12.498 1.00 0.00 H new ATOM 0 HE2 LYS B 5 23.356 10.723 11.741 1.00 0.00 H new ATOM 0 HE3 LYS B 5 24.591 9.482 11.668 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 23.855 9.219 9.597 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 22.587 8.332 10.296 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 22.362 9.968 9.902 1.00 0.00 H new ATOM 1164 N VAL B 6 18.977 10.192 16.393 1.00 0.00 N ATOM 1165 CA VAL B 6 18.765 11.413 17.199 1.00 0.00 C ATOM 1166 C VAL B 6 20.091 11.885 17.798 1.00 0.00 C ATOM 1167 O VAL B 6 20.905 11.063 18.224 1.00 0.00 O ATOM 1168 CB VAL B 6 17.693 11.190 18.292 1.00 0.00 C ATOM 1169 CG1 VAL B 6 17.637 12.293 19.356 1.00 0.00 C ATOM 1170 CG2 VAL B 6 16.291 11.085 17.686 1.00 0.00 C ATOM 0 H VAL B 6 19.035 9.345 16.958 1.00 0.00 H new ATOM 0 HA VAL B 6 18.388 12.198 16.543 1.00 0.00 H new ATOM 0 HB VAL B 6 17.997 10.259 18.771 1.00 0.00 H new ATOM 0 HG11 VAL B 6 16.859 12.058 20.083 1.00 0.00 H new ATOM 0 HG12 VAL B 6 18.600 12.359 19.863 1.00 0.00 H new ATOM 0 HG13 VAL B 6 17.412 13.247 18.879 1.00 0.00 H new ATOM 0 HG21 VAL B 6 15.562 10.929 18.481 1.00 0.00 H new ATOM 0 HG22 VAL B 6 16.055 12.006 17.153 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.257 10.245 16.992 1.00 0.00 H new ATOM 1180 N VAL B 7 20.299 13.202 17.864 1.00 0.00 N ATOM 1181 CA VAL B 7 21.460 13.856 18.504 1.00 0.00 C ATOM 1182 C VAL B 7 21.033 15.078 19.332 1.00 0.00 C ATOM 1183 O VAL B 7 20.107 15.806 18.956 1.00 0.00 O ATOM 1184 CB VAL B 7 22.561 14.181 17.469 1.00 0.00 C ATOM 1185 CG1 VAL B 7 22.108 15.187 16.405 1.00 0.00 C ATOM 1186 CG2 VAL B 7 23.831 14.725 18.132 1.00 0.00 C ATOM 0 H VAL B 7 19.645 13.873 17.461 1.00 0.00 H new ATOM 0 HA VAL B 7 21.899 13.151 19.210 1.00 0.00 H new ATOM 0 HB VAL B 7 22.774 13.228 16.984 1.00 0.00 H new ATOM 0 HG11 VAL B 7 22.926 15.373 15.709 1.00 0.00 H new ATOM 0 HG12 VAL B 7 21.254 14.782 15.862 1.00 0.00 H new ATOM 0 HG13 VAL B 7 21.822 16.122 16.887 1.00 0.00 H new ATOM 0 HG21 VAL B 7 24.577 14.940 17.367 1.00 0.00 H new ATOM 0 HG22 VAL B 7 23.595 15.640 18.675 1.00 0.00 H new ATOM 0 HG23 VAL B 7 24.226 13.983 18.826 1.00 0.00 H new ATOM 1196 N LEU B 8 21.705 15.295 20.467 1.00 0.00 N ATOM 1197 CA LEU B 8 21.436 16.378 21.424 1.00 0.00 C ATOM 1198 C LEU B 8 22.681 16.788 22.215 1.00 0.00 C ATOM 1199 O LEU B 8 23.602 15.990 22.402 1.00 0.00 O ATOM 1200 CB LEU B 8 20.289 15.949 22.360 1.00 0.00 C ATOM 1201 CG LEU B 8 20.609 14.766 23.300 1.00 0.00 C ATOM 1202 CD1 LEU B 8 21.084 15.223 24.683 1.00 0.00 C ATOM 1203 CD2 LEU B 8 19.372 13.895 23.499 1.00 0.00 C ATOM 0 H LEU B 8 22.481 14.700 20.757 1.00 0.00 H new ATOM 0 HA LEU B 8 21.137 17.264 20.863 1.00 0.00 H new ATOM 0 HB2 LEU B 8 19.999 16.806 22.968 1.00 0.00 H new ATOM 0 HB3 LEU B 8 19.425 15.683 21.750 1.00 0.00 H new ATOM 0 HG LEU B 8 21.411 14.207 22.819 1.00 0.00 H new ATOM 0 HD11 LEU B 8 21.295 14.351 25.302 1.00 0.00 H new ATOM 0 HD12 LEU B 8 21.990 15.820 24.578 1.00 0.00 H new ATOM 0 HD13 LEU B 8 20.306 15.823 25.155 1.00 0.00 H new ATOM 0 HD21 LEU B 8 19.614 13.066 24.164 1.00 0.00 H new ATOM 0 HD22 LEU B 8 18.574 14.492 23.940 1.00 0.00 H new ATOM 0 HD23 LEU B 8 19.044 13.504 22.536 1.00 0.00 H new ATOM 1215 N THR B 9 22.666 18.021 22.730 1.00 0.00 N ATOM 1216 CA THR B 9 23.644 18.547 23.697 1.00 0.00 C ATOM 1217 C THR B 9 22.967 18.764 25.053 1.00 0.00 C ATOM 1218 O THR B 9 21.900 19.377 25.134 1.00 0.00 O ATOM 1219 CB THR B 9 24.284 19.855 23.193 1.00 0.00 C ATOM 1220 OG1 THR B 9 24.748 19.728 21.861 1.00 0.00 O ATOM 1221 CG2 THR B 9 25.500 20.259 24.030 1.00 0.00 C ATOM 0 H THR B 9 21.952 18.705 22.480 1.00 0.00 H new ATOM 0 HA THR B 9 24.443 17.815 23.810 1.00 0.00 H new ATOM 0 HB THR B 9 23.497 20.606 23.267 1.00 0.00 H new ATOM 0 HG1 THR B 9 24.999 20.610 21.517 1.00 0.00 H new ATOM 0 HG21 THR B 9 25.919 21.186 23.639 1.00 0.00 H new ATOM 0 HG22 THR B 9 25.196 20.407 25.066 1.00 0.00 H new ATOM 0 HG23 THR B 9 26.253 19.472 23.982 1.00 0.00 H new ATOM 1229 N LYS B 10 23.589 18.261 26.127 1.00 0.00 N ATOM 1230 CA LYS B 10 23.123 18.369 27.520 1.00 0.00 C ATOM 1231 C LYS B 10 23.504 19.707 28.172 1.00 0.00 C ATOM 1232 O LYS B 10 24.444 20.376 27.727 1.00 0.00 O ATOM 1233 CB LYS B 10 23.685 17.191 28.336 1.00 0.00 C ATOM 1234 CG LYS B 10 23.228 15.823 27.800 1.00 0.00 C ATOM 1235 CD LYS B 10 23.594 14.667 28.742 1.00 0.00 C ATOM 1236 CE LYS B 10 25.113 14.465 28.852 1.00 0.00 C ATOM 1237 NZ LYS B 10 25.435 13.323 29.746 1.00 0.00 N1+ ATOM 0 H LYS B 10 24.466 17.746 26.049 1.00 0.00 H new ATOM 0 HA LYS B 10 22.034 18.331 27.510 1.00 0.00 H new ATOM 0 HB2 LYS B 10 24.774 17.235 28.326 1.00 0.00 H new ATOM 0 HB3 LYS B 10 23.372 17.292 29.375 1.00 0.00 H new ATOM 0 HG2 LYS B 10 22.148 15.838 27.651 1.00 0.00 H new ATOM 0 HG3 LYS B 10 23.682 15.649 26.824 1.00 0.00 H new ATOM 0 HD2 LYS B 10 23.183 14.864 29.732 1.00 0.00 H new ATOM 0 HD3 LYS B 10 23.132 13.748 28.382 1.00 0.00 H new ATOM 0 HE2 LYS B 10 25.532 14.286 27.862 1.00 0.00 H new ATOM 0 HE3 LYS B 10 25.577 15.374 29.235 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 26.467 13.207 29.804 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 25.054 13.507 30.696 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 25.010 12.454 29.365 1.00 0.00 H new ATOM 1251 N ALA B 11 22.838 20.060 29.271 1.00 0.00 N ATOM 1252 CA ALA B 11 23.150 21.256 30.066 1.00 0.00 C ATOM 1253 C ALA B 11 24.577 21.239 30.671 1.00 0.00 C ATOM 1254 O ALA B 11 25.162 22.289 30.924 1.00 0.00 O ATOM 1255 CB ALA B 11 22.089 21.391 31.162 1.00 0.00 C ATOM 0 H ALA B 11 22.057 19.520 29.642 1.00 0.00 H new ATOM 0 HA ALA B 11 23.132 22.121 29.403 1.00 0.00 H new ATOM 0 HB1 ALA B 11 22.300 22.273 31.766 1.00 0.00 H new ATOM 0 HB2 ALA B 11 21.105 21.491 30.705 1.00 0.00 H new ATOM 0 HB3 ALA B 11 22.106 20.505 31.796 1.00 0.00 H new ATOM 1261 N ASP B 12 25.161 20.046 30.862 1.00 0.00 N ATOM 1262 CA ASP B 12 26.556 19.839 31.291 1.00 0.00 C ATOM 1263 C ASP B 12 27.605 20.097 30.173 1.00 0.00 C ATOM 1264 O ASP B 12 28.810 20.013 30.419 1.00 0.00 O ATOM 1265 CB ASP B 12 26.710 18.405 31.854 1.00 0.00 C ATOM 1266 CG ASP B 12 25.836 18.087 33.080 1.00 0.00 C ATOM 1267 OD1 ASP B 12 25.563 16.885 33.316 1.00 0.00 O ATOM 1268 OD2 ASP B 12 25.453 19.006 33.846 1.00 0.00 O1- ATOM 0 H ASP B 12 24.660 19.169 30.718 1.00 0.00 H new ATOM 0 HA ASP B 12 26.762 20.580 32.064 1.00 0.00 H new ATOM 0 HB2 ASP B 12 26.472 17.694 31.063 1.00 0.00 H new ATOM 0 HB3 ASP B 12 27.755 18.247 32.121 1.00 0.00 H new ATOM 1273 N GLY B 13 27.163 20.379 28.940 1.00 0.00 N ATOM 1274 CA GLY B 13 28.014 20.580 27.757 1.00 0.00 C ATOM 1275 C GLY B 13 28.431 19.290 27.023 1.00 0.00 C ATOM 1276 O GLY B 13 29.056 19.365 25.960 1.00 0.00 O ATOM 0 H GLY B 13 26.170 20.477 28.730 1.00 0.00 H new ATOM 0 HA2 GLY B 13 27.486 21.225 27.054 1.00 0.00 H new ATOM 0 HA3 GLY B 13 28.915 21.112 28.063 1.00 0.00 H new ATOM 1280 N GLY B 14 28.089 18.115 27.563 1.00 0.00 N ATOM 1281 CA GLY B 14 28.261 16.814 26.900 1.00 0.00 C ATOM 1282 C GLY B 14 27.218 16.569 25.804 1.00 0.00 C ATOM 1283 O GLY B 14 26.209 17.274 25.719 1.00 0.00 O ATOM 0 H GLY B 14 27.676 18.038 28.493 1.00 0.00 H new ATOM 0 HA2 GLY B 14 29.259 16.761 26.465 1.00 0.00 H new ATOM 0 HA3 GLY B 14 28.195 16.020 27.644 1.00 0.00 H new ATOM 1287 N ARG B 15 27.437 15.547 24.972 1.00 0.00 N ATOM 1288 CA ARG B 15 26.542 15.165 23.861 1.00 0.00 C ATOM 1289 C ARG B 15 26.148 13.689 23.887 1.00 0.00 C ATOM 1290 O ARG B 15 26.891 12.847 24.397 1.00 0.00 O ATOM 1291 CB ARG B 15 27.170 15.553 22.508 1.00 0.00 C ATOM 1292 CG ARG B 15 27.076 17.068 22.276 1.00 0.00 C ATOM 1293 CD ARG B 15 27.641 17.498 20.925 1.00 0.00 C ATOM 1294 NE ARG B 15 27.249 18.895 20.659 1.00 0.00 N ATOM 1295 CZ ARG B 15 27.797 19.761 19.835 1.00 0.00 C ATOM 1296 NH1 ARG B 15 28.850 19.488 19.116 1.00 0.00 N1+ ATOM 1297 NH2 ARG B 15 27.282 20.954 19.716 1.00 0.00 N ATOM 0 H ARG B 15 28.257 14.945 25.048 1.00 0.00 H new ATOM 0 HA ARG B 15 25.616 15.724 23.994 1.00 0.00 H new ATOM 0 HB2 ARG B 15 28.214 15.241 22.484 1.00 0.00 H new ATOM 0 HB3 ARG B 15 26.661 15.025 21.701 1.00 0.00 H new ATOM 0 HG2 ARG B 15 26.033 17.377 22.343 1.00 0.00 H new ATOM 0 HG3 ARG B 15 27.613 17.586 23.070 1.00 0.00 H new ATOM 0 HD2 ARG B 15 28.727 17.406 20.925 1.00 0.00 H new ATOM 0 HD3 ARG B 15 27.266 16.846 20.136 1.00 0.00 H new ATOM 0 HE ARG B 15 26.444 19.235 21.185 1.00 0.00 H new ATOM 0 HH11 ARG B 15 29.286 18.568 19.179 1.00 0.00 H new ATOM 0 HH12 ARG B 15 29.238 20.195 18.491 1.00 0.00 H new ATOM 0 HH21 ARG B 15 26.459 21.211 20.261 1.00 0.00 H new ATOM 0 HH22 ARG B 15 27.703 21.630 19.078 1.00 0.00 H new ATOM 1311 N VAL B 16 24.973 13.392 23.331 1.00 0.00 N ATOM 1312 CA VAL B 16 24.356 12.053 23.286 1.00 0.00 C ATOM 1313 C VAL B 16 23.801 11.784 21.884 1.00 0.00 C ATOM 1314 O VAL B 16 23.221 12.672 21.254 1.00 0.00 O ATOM 1315 CB VAL B 16 23.249 11.898 24.356 1.00 0.00 C ATOM 1316 CG1 VAL B 16 22.582 10.516 24.334 1.00 0.00 C ATOM 1317 CG2 VAL B 16 23.778 12.135 25.778 1.00 0.00 C ATOM 0 H VAL B 16 24.397 14.102 22.880 1.00 0.00 H new ATOM 0 HA VAL B 16 25.126 11.315 23.512 1.00 0.00 H new ATOM 0 HB VAL B 16 22.513 12.659 24.097 1.00 0.00 H new ATOM 0 HG11 VAL B 16 21.815 10.470 25.107 1.00 0.00 H new ATOM 0 HG12 VAL B 16 22.125 10.348 23.359 1.00 0.00 H new ATOM 0 HG13 VAL B 16 23.332 9.747 24.520 1.00 0.00 H new ATOM 0 HG21 VAL B 16 22.965 12.015 26.494 1.00 0.00 H new ATOM 0 HG22 VAL B 16 24.565 11.413 25.999 1.00 0.00 H new ATOM 0 HG23 VAL B 16 24.181 13.145 25.853 1.00 0.00 H new ATOM 1327 N GLU B 17 23.978 10.551 21.396 1.00 0.00 N ATOM 1328 CA GLU B 17 23.467 10.060 20.111 1.00 0.00 C ATOM 1329 C GLU B 17 22.696 8.739 20.291 1.00 0.00 C ATOM 1330 O GLU B 17 23.048 7.918 21.143 1.00 0.00 O ATOM 1331 CB GLU B 17 24.616 9.872 19.104 1.00 0.00 C ATOM 1332 CG GLU B 17 25.290 11.193 18.697 1.00 0.00 C ATOM 1333 CD GLU B 17 26.522 10.974 17.785 1.00 0.00 C ATOM 1334 OE1 GLU B 17 27.522 11.723 17.911 1.00 0.00 O ATOM 1335 OE2 GLU B 17 26.501 10.067 16.915 1.00 0.00 O1- ATOM 0 H GLU B 17 24.502 9.840 21.906 1.00 0.00 H new ATOM 0 HA GLU B 17 22.778 10.808 19.719 1.00 0.00 H new ATOM 0 HB2 GLU B 17 25.365 9.209 19.537 1.00 0.00 H new ATOM 0 HB3 GLU B 17 24.231 9.379 18.212 1.00 0.00 H new ATOM 0 HG2 GLU B 17 24.566 11.822 18.179 1.00 0.00 H new ATOM 0 HG3 GLU B 17 25.597 11.732 19.593 1.00 0.00 H new ATOM 1342 N ILE B 18 21.664 8.515 19.472 1.00 0.00 N ATOM 1343 CA ILE B 18 20.774 7.342 19.528 1.00 0.00 C ATOM 1344 C ILE B 18 20.554 6.814 18.105 1.00 0.00 C ATOM 1345 O ILE B 18 20.067 7.549 17.244 1.00 0.00 O ATOM 1346 CB ILE B 18 19.419 7.684 20.201 1.00 0.00 C ATOM 1347 CG1 ILE B 18 19.563 8.424 21.554 1.00 0.00 C ATOM 1348 CG2 ILE B 18 18.571 6.407 20.379 1.00 0.00 C ATOM 1349 CD1 ILE B 18 18.244 9.005 22.075 1.00 0.00 C ATOM 0 H ILE B 18 21.413 9.164 18.726 1.00 0.00 H new ATOM 0 HA ILE B 18 21.247 6.572 20.137 1.00 0.00 H new ATOM 0 HB ILE B 18 18.913 8.376 19.528 1.00 0.00 H new ATOM 0 HG12 ILE B 18 19.965 7.734 22.296 1.00 0.00 H new ATOM 0 HG13 ILE B 18 20.288 9.231 21.443 1.00 0.00 H new ATOM 0 HG21 ILE B 18 17.623 6.663 20.853 1.00 0.00 H new ATOM 0 HG22 ILE B 18 18.380 5.958 19.404 1.00 0.00 H new ATOM 0 HG23 ILE B 18 19.110 5.697 21.006 1.00 0.00 H new ATOM 0 HD11 ILE B 18 18.419 9.509 23.026 1.00 0.00 H new ATOM 0 HD12 ILE B 18 17.851 9.720 21.352 1.00 0.00 H new ATOM 0 HD13 ILE B 18 17.523 8.200 22.218 1.00 0.00 H new ATOM 1361 N GLY B 19 20.917 5.551 17.851 1.00 0.00 N ATOM 1362 CA GLY B 19 20.736 4.867 16.561 1.00 0.00 C ATOM 1363 C GLY B 19 19.432 4.048 16.472 1.00 0.00 C ATOM 1364 O GLY B 19 18.833 3.688 17.485 1.00 0.00 O ATOM 0 H GLY B 19 21.357 4.959 18.555 1.00 0.00 H new ATOM 0 HA2 GLY B 19 20.744 5.609 15.762 1.00 0.00 H new ATOM 0 HA3 GLY B 19 21.584 4.204 16.389 1.00 0.00 H new ATOM 1368 N ASP B 20 19.004 3.732 15.241 1.00 0.00 N ATOM 1369 CA ASP B 20 17.783 2.962 14.923 1.00 0.00 C ATOM 1370 C ASP B 20 16.529 3.511 15.632 1.00 0.00 C ATOM 1371 O ASP B 20 15.758 2.777 16.254 1.00 0.00 O ATOM 1372 CB ASP B 20 17.994 1.448 15.097 1.00 0.00 C ATOM 1373 CG ASP B 20 19.269 0.898 14.424 1.00 0.00 C ATOM 1374 OD1 ASP B 20 19.653 1.383 13.328 1.00 0.00 O ATOM 1375 OD2 ASP B 20 19.880 -0.049 14.969 1.00 0.00 O1- ATOM 0 H ASP B 20 19.515 4.014 14.405 1.00 0.00 H new ATOM 0 HA ASP B 20 17.581 3.106 13.862 1.00 0.00 H new ATOM 0 HB2 ASP B 20 18.033 1.219 16.162 1.00 0.00 H new ATOM 0 HB3 ASP B 20 17.129 0.924 14.690 1.00 0.00 H new ATOM 1380 N VAL B 21 16.354 4.837 15.590 1.00 0.00 N ATOM 1381 CA VAL B 21 15.217 5.543 16.201 1.00 0.00 C ATOM 1382 C VAL B 21 13.959 5.322 15.373 1.00 0.00 C ATOM 1383 O VAL B 21 13.886 5.715 14.203 1.00 0.00 O ATOM 1384 CB VAL B 21 15.516 7.034 16.406 1.00 0.00 C ATOM 1385 CG1 VAL B 21 14.267 7.794 16.859 1.00 0.00 C ATOM 1386 CG2 VAL B 21 16.614 7.203 17.458 1.00 0.00 C ATOM 0 H VAL B 21 17.010 5.463 15.122 1.00 0.00 H new ATOM 0 HA VAL B 21 15.047 5.126 17.194 1.00 0.00 H new ATOM 0 HB VAL B 21 15.845 7.444 15.451 1.00 0.00 H new ATOM 0 HG11 VAL B 21 14.512 8.847 16.996 1.00 0.00 H new ATOM 0 HG12 VAL B 21 13.488 7.697 16.103 1.00 0.00 H new ATOM 0 HG13 VAL B 21 13.911 7.379 17.802 1.00 0.00 H new ATOM 0 HG21 VAL B 21 16.822 8.264 17.599 1.00 0.00 H new ATOM 0 HG22 VAL B 21 16.284 6.769 18.402 1.00 0.00 H new ATOM 0 HG23 VAL B 21 17.520 6.697 17.123 1.00 0.00 H new ATOM 1396 N LEU B 22 12.959 4.703 16.000 1.00 0.00 N ATOM 1397 CA LEU B 22 11.696 4.317 15.385 1.00 0.00 C ATOM 1398 C LEU B 22 10.579 5.345 15.646 1.00 0.00 C ATOM 1399 O LEU B 22 9.654 5.442 14.840 1.00 0.00 O ATOM 1400 CB LEU B 22 11.368 2.892 15.873 1.00 0.00 C ATOM 1401 CG LEU B 22 10.233 2.157 15.129 1.00 0.00 C ATOM 1402 CD1 LEU B 22 10.494 2.015 13.624 1.00 0.00 C ATOM 1403 CD2 LEU B 22 10.073 0.750 15.711 1.00 0.00 C ATOM 0 H LEU B 22 13.011 4.449 16.986 1.00 0.00 H new ATOM 0 HA LEU B 22 11.781 4.307 14.298 1.00 0.00 H new ATOM 0 HB2 LEU B 22 12.273 2.288 15.798 1.00 0.00 H new ATOM 0 HB3 LEU B 22 11.106 2.944 16.930 1.00 0.00 H new ATOM 0 HG LEU B 22 9.334 2.758 15.262 1.00 0.00 H new ATOM 0 HD11 LEU B 22 9.660 1.490 13.158 1.00 0.00 H new ATOM 0 HD12 LEU B 22 10.595 3.004 13.177 1.00 0.00 H new ATOM 0 HD13 LEU B 22 11.413 1.450 13.466 1.00 0.00 H new ATOM 0 HD21 LEU B 22 9.272 0.229 15.187 1.00 0.00 H new ATOM 0 HD22 LEU B 22 11.005 0.198 15.590 1.00 0.00 H new ATOM 0 HD23 LEU B 22 9.828 0.820 16.771 1.00 0.00 H new ATOM 1415 N GLU B 23 10.668 6.155 16.713 1.00 0.00 N ATOM 1416 CA GLU B 23 9.717 7.241 17.003 1.00 0.00 C ATOM 1417 C GLU B 23 10.325 8.336 17.903 1.00 0.00 C ATOM 1418 O GLU B 23 11.139 8.038 18.777 1.00 0.00 O ATOM 1419 CB GLU B 23 8.438 6.638 17.622 1.00 0.00 C ATOM 1420 CG GLU B 23 7.335 7.662 17.936 1.00 0.00 C ATOM 1421 CD GLU B 23 5.983 7.001 18.245 1.00 0.00 C ATOM 1422 OE1 GLU B 23 5.004 7.741 18.484 1.00 0.00 O ATOM 1423 OE2 GLU B 23 5.842 5.758 18.183 1.00 0.00 O1- ATOM 0 H GLU B 23 11.411 6.073 17.407 1.00 0.00 H new ATOM 0 HA GLU B 23 9.465 7.738 16.066 1.00 0.00 H new ATOM 0 HB2 GLU B 23 8.037 5.890 16.938 1.00 0.00 H new ATOM 0 HB3 GLU B 23 8.706 6.118 18.542 1.00 0.00 H new ATOM 0 HG2 GLU B 23 7.641 8.270 18.788 1.00 0.00 H new ATOM 0 HG3 GLU B 23 7.219 8.337 17.088 1.00 0.00 H new ATOM 1430 N VAL B 24 9.896 9.592 17.713 1.00 0.00 N ATOM 1431 CA VAL B 24 10.247 10.765 18.537 1.00 0.00 C ATOM 1432 C VAL B 24 8.996 11.600 18.831 1.00 0.00 C ATOM 1433 O VAL B 24 8.145 11.745 17.954 1.00 0.00 O ATOM 1434 CB VAL B 24 11.323 11.643 17.854 1.00 0.00 C ATOM 1435 CG1 VAL B 24 11.812 12.772 18.771 1.00 0.00 C ATOM 1436 CG2 VAL B 24 12.557 10.841 17.436 1.00 0.00 C ATOM 0 H VAL B 24 9.266 9.832 16.947 1.00 0.00 H new ATOM 0 HA VAL B 24 10.663 10.397 19.475 1.00 0.00 H new ATOM 0 HB VAL B 24 10.828 12.052 16.973 1.00 0.00 H new ATOM 0 HG11 VAL B 24 12.566 13.363 18.251 1.00 0.00 H new ATOM 0 HG12 VAL B 24 10.972 13.412 19.040 1.00 0.00 H new ATOM 0 HG13 VAL B 24 12.246 12.344 19.675 1.00 0.00 H new ATOM 0 HG21 VAL B 24 13.280 11.506 16.962 1.00 0.00 H new ATOM 0 HG22 VAL B 24 13.008 10.383 18.316 1.00 0.00 H new ATOM 0 HG23 VAL B 24 12.264 10.063 16.732 1.00 0.00 H new ATOM 1446 N ARG B 25 8.879 12.158 20.040 1.00 0.00 N ATOM 1447 CA ARG B 25 7.774 13.044 20.469 1.00 0.00 C ATOM 1448 C ARG B 25 8.298 14.242 21.266 1.00 0.00 C ATOM 1449 O ARG B 25 9.239 14.083 22.042 1.00 0.00 O ATOM 1450 CB ARG B 25 6.757 12.272 21.333 1.00 0.00 C ATOM 1451 CG ARG B 25 6.106 11.082 20.610 1.00 0.00 C ATOM 1452 CD ARG B 25 5.066 10.410 21.517 1.00 0.00 C ATOM 1453 NE ARG B 25 4.532 9.191 20.886 1.00 0.00 N ATOM 1454 CZ ARG B 25 3.636 8.357 21.377 1.00 0.00 C ATOM 1455 NH1 ARG B 25 3.050 8.546 22.530 1.00 0.00 N1+ ATOM 1456 NH2 ARG B 25 3.321 7.307 20.687 1.00 0.00 N ATOM 0 H ARG B 25 9.569 12.005 20.776 1.00 0.00 H new ATOM 0 HA ARG B 25 7.284 13.406 19.565 1.00 0.00 H new ATOM 0 HB2 ARG B 25 7.258 11.910 22.231 1.00 0.00 H new ATOM 0 HB3 ARG B 25 5.976 12.959 21.659 1.00 0.00 H new ATOM 0 HG2 ARG B 25 5.630 11.423 19.690 1.00 0.00 H new ATOM 0 HG3 ARG B 25 6.870 10.359 20.324 1.00 0.00 H new ATOM 0 HD2 ARG B 25 5.520 10.160 22.476 1.00 0.00 H new ATOM 0 HD3 ARG B 25 4.252 11.105 21.722 1.00 0.00 H new ATOM 0 HE ARG B 25 4.898 8.965 19.961 1.00 0.00 H new ATOM 0 HH11 ARG B 25 3.280 9.366 23.091 1.00 0.00 H new ATOM 0 HH12 ARG B 25 2.363 7.873 22.869 1.00 0.00 H new ATOM 0 HH21 ARG B 25 3.763 7.139 19.783 1.00 0.00 H new ATOM 0 HH22 ARG B 25 2.631 6.648 21.047 1.00 0.00 H new ATOM 1470 N ALA B 26 7.669 15.410 21.135 1.00 0.00 N ATOM 1471 CA ALA B 26 8.005 16.632 21.870 1.00 0.00 C ATOM 1472 C ALA B 26 6.748 17.267 22.488 1.00 0.00 C ATOM 1473 O ALA B 26 5.772 17.546 21.780 1.00 0.00 O ATOM 1474 CB ALA B 26 8.730 17.589 20.921 1.00 0.00 C ATOM 0 H ALA B 26 6.886 15.537 20.494 1.00 0.00 H new ATOM 0 HA ALA B 26 8.668 16.396 22.703 1.00 0.00 H new ATOM 0 HB1 ALA B 26 8.987 18.504 21.454 1.00 0.00 H new ATOM 0 HB2 ALA B 26 9.640 17.116 20.552 1.00 0.00 H new ATOM 0 HB3 ALA B 26 8.080 17.829 20.080 1.00 0.00 H new ATOM 1509 N ALA B 30 9.836 18.822 27.021 1.00 0.00 N ATOM 1510 CA ALA B 30 10.577 17.564 27.122 1.00 0.00 C ATOM 1511 C ALA B 30 10.413 16.689 25.865 1.00 0.00 C ATOM 1512 O ALA B 30 9.300 16.499 25.359 1.00 0.00 O ATOM 1513 CB ALA B 30 10.129 16.822 28.391 1.00 0.00 C ATOM 0 HA ALA B 30 11.641 17.789 27.192 1.00 0.00 H new ATOM 0 HB1 ALA B 30 10.676 15.883 28.475 1.00 0.00 H new ATOM 0 HB2 ALA B 30 10.333 17.440 29.265 1.00 0.00 H new ATOM 0 HB3 ALA B 30 9.060 16.616 28.334 1.00 0.00 H new ATOM 1519 N VAL B 31 11.521 16.116 25.385 1.00 0.00 N ATOM 1520 CA VAL B 31 11.540 15.213 24.219 1.00 0.00 C ATOM 1521 C VAL B 31 11.654 13.757 24.656 1.00 0.00 C ATOM 1522 O VAL B 31 12.422 13.444 25.562 1.00 0.00 O ATOM 1523 CB VAL B 31 12.637 15.599 23.210 1.00 0.00 C ATOM 1524 CG1 VAL B 31 12.717 14.620 22.030 1.00 0.00 C ATOM 1525 CG2 VAL B 31 12.334 16.988 22.646 1.00 0.00 C ATOM 0 H VAL B 31 12.443 16.265 25.796 1.00 0.00 H new ATOM 0 HA VAL B 31 10.588 15.326 23.700 1.00 0.00 H new ATOM 0 HB VAL B 31 13.587 15.577 23.743 1.00 0.00 H new ATOM 0 HG11 VAL B 31 13.506 14.937 21.347 1.00 0.00 H new ATOM 0 HG12 VAL B 31 12.939 13.620 22.402 1.00 0.00 H new ATOM 0 HG13 VAL B 31 11.763 14.608 21.502 1.00 0.00 H new ATOM 0 HG21 VAL B 31 13.108 17.267 21.931 1.00 0.00 H new ATOM 0 HG22 VAL B 31 11.365 16.974 22.146 1.00 0.00 H new ATOM 0 HG23 VAL B 31 12.313 17.714 23.459 1.00 0.00 H new ATOM 1535 N ARG B 32 10.895 12.867 24.016 1.00 0.00 N ATOM 1536 CA ARG B 32 10.905 11.409 24.211 1.00 0.00 C ATOM 1537 C ARG B 32 11.303 10.701 22.911 1.00 0.00 C ATOM 1538 O ARG B 32 10.963 11.173 21.828 1.00 0.00 O ATOM 1539 CB ARG B 32 9.533 10.908 24.701 1.00 0.00 C ATOM 1540 CG ARG B 32 9.104 11.364 26.105 1.00 0.00 C ATOM 1541 CD ARG B 32 8.730 12.847 26.229 1.00 0.00 C ATOM 1542 NE ARG B 32 7.806 13.085 27.353 1.00 0.00 N ATOM 1543 CZ ARG B 32 7.025 14.136 27.504 1.00 0.00 C ATOM 1544 NH1 ARG B 32 7.128 15.203 26.770 1.00 0.00 N1+ ATOM 1545 NH2 ARG B 32 6.087 14.154 28.396 1.00 0.00 N ATOM 0 H ARG B 32 10.219 13.155 23.309 1.00 0.00 H new ATOM 0 HA ARG B 32 11.643 11.173 24.978 1.00 0.00 H new ATOM 0 HB2 ARG B 32 8.775 11.234 23.989 1.00 0.00 H new ATOM 0 HB3 ARG B 32 9.540 9.818 24.682 1.00 0.00 H new ATOM 0 HG2 ARG B 32 8.250 10.764 26.418 1.00 0.00 H new ATOM 0 HG3 ARG B 32 9.915 11.152 26.801 1.00 0.00 H new ATOM 0 HD2 ARG B 32 9.634 13.440 26.370 1.00 0.00 H new ATOM 0 HD3 ARG B 32 8.269 13.185 25.301 1.00 0.00 H new ATOM 0 HE ARG B 32 7.768 12.371 28.080 1.00 0.00 H new ATOM 0 HH11 ARG B 32 7.837 15.252 26.038 1.00 0.00 H new ATOM 0 HH12 ARG B 32 6.500 15.991 26.925 1.00 0.00 H new ATOM 0 HH21 ARG B 32 5.941 13.344 28.999 1.00 0.00 H new ATOM 0 HH22 ARG B 32 5.494 14.978 28.496 1.00 0.00 H new ATOM 1559 N VAL B 33 11.987 9.563 23.014 1.00 0.00 N ATOM 1560 CA VAL B 33 12.478 8.748 21.884 1.00 0.00 C ATOM 1561 C VAL B 33 12.219 7.260 22.147 1.00 0.00 C ATOM 1562 O VAL B 33 12.413 6.792 23.272 1.00 0.00 O ATOM 1563 CB VAL B 33 13.983 8.975 21.632 1.00 0.00 C ATOM 1564 CG1 VAL B 33 14.475 8.287 20.360 1.00 0.00 C ATOM 1565 CG2 VAL B 33 14.370 10.459 21.536 1.00 0.00 C ATOM 0 H VAL B 33 12.228 9.160 23.919 1.00 0.00 H new ATOM 0 HA VAL B 33 11.932 9.061 20.994 1.00 0.00 H new ATOM 0 HB VAL B 33 14.463 8.535 22.506 1.00 0.00 H new ATOM 0 HG11 VAL B 33 15.540 8.479 20.231 1.00 0.00 H new ATOM 0 HG12 VAL B 33 14.307 7.213 20.439 1.00 0.00 H new ATOM 0 HG13 VAL B 33 13.929 8.677 19.501 1.00 0.00 H new ATOM 0 HG21 VAL B 33 15.442 10.545 21.358 1.00 0.00 H new ATOM 0 HG22 VAL B 33 13.827 10.924 20.713 1.00 0.00 H new ATOM 0 HG23 VAL B 33 14.116 10.962 22.469 1.00 0.00 H new ATOM 1575 N THR B 34 11.830 6.513 21.112 1.00 0.00 N ATOM 1576 CA THR B 34 11.691 5.047 21.135 1.00 0.00 C ATOM 1577 C THR B 34 12.545 4.410 20.036 1.00 0.00 C ATOM 1578 O THR B 34 12.464 4.796 18.868 1.00 0.00 O ATOM 1579 CB THR B 34 10.224 4.603 20.993 1.00 0.00 C ATOM 1580 OG1 THR B 34 9.411 5.215 21.981 1.00 0.00 O ATOM 1581 CG2 THR B 34 10.056 3.088 21.164 1.00 0.00 C ATOM 0 H THR B 34 11.595 6.919 20.206 1.00 0.00 H new ATOM 0 HA THR B 34 12.045 4.705 22.107 1.00 0.00 H new ATOM 0 HB THR B 34 9.923 4.902 19.989 1.00 0.00 H new ATOM 0 HG1 THR B 34 8.483 4.920 21.870 1.00 0.00 H new ATOM 0 HG21 THR B 34 9.004 2.824 21.055 1.00 0.00 H new ATOM 0 HG22 THR B 34 10.641 2.569 20.404 1.00 0.00 H new ATOM 0 HG23 THR B 34 10.404 2.793 22.154 1.00 0.00 H new ATOM 1589 N THR B 35 13.382 3.444 20.406 1.00 0.00 N ATOM 1590 CA THR B 35 14.271 2.708 19.485 1.00 0.00 C ATOM 1591 C THR B 35 13.597 1.478 18.862 1.00 0.00 C ATOM 1592 O THR B 35 12.570 0.987 19.336 1.00 0.00 O ATOM 1593 CB THR B 35 15.567 2.262 20.186 1.00 0.00 C ATOM 1594 OG1 THR B 35 15.287 1.306 21.190 1.00 0.00 O ATOM 1595 CG2 THR B 35 16.338 3.412 20.823 1.00 0.00 C ATOM 0 H THR B 35 13.470 3.138 21.375 1.00 0.00 H new ATOM 0 HA THR B 35 14.508 3.411 18.686 1.00 0.00 H new ATOM 0 HB THR B 35 16.190 1.832 19.401 1.00 0.00 H new ATOM 0 HG1 THR B 35 14.785 1.732 21.916 1.00 0.00 H new ATOM 0 HG21 THR B 35 17.240 3.026 21.299 1.00 0.00 H new ATOM 0 HG22 THR B 35 16.614 4.135 20.055 1.00 0.00 H new ATOM 0 HG23 THR B 35 15.713 3.899 21.571 1.00 0.00 H new ATOM 1603 N LEU B 36 14.235 0.925 17.828 1.00 0.00 N ATOM 1604 CA LEU B 36 13.978 -0.402 17.246 1.00 0.00 C ATOM 1605 C LEU B 36 13.871 -1.522 18.296 1.00 0.00 C ATOM 1606 O LEU B 36 13.080 -2.455 18.144 1.00 0.00 O ATOM 1607 CB LEU B 36 15.163 -0.690 16.307 1.00 0.00 C ATOM 1608 CG LEU B 36 15.148 -2.049 15.594 1.00 0.00 C ATOM 1609 CD1 LEU B 36 13.974 -2.136 14.627 1.00 0.00 C ATOM 1610 CD2 LEU B 36 16.445 -2.243 14.802 1.00 0.00 C ATOM 0 H LEU B 36 14.988 1.415 17.345 1.00 0.00 H new ATOM 0 HA LEU B 36 13.017 -0.388 16.732 1.00 0.00 H new ATOM 0 HB2 LEU B 36 15.199 0.094 15.550 1.00 0.00 H new ATOM 0 HB3 LEU B 36 16.084 -0.617 16.885 1.00 0.00 H new ATOM 0 HG LEU B 36 15.053 -2.825 16.354 1.00 0.00 H new ATOM 0 HD11 LEU B 36 13.982 -3.107 14.132 1.00 0.00 H new ATOM 0 HD12 LEU B 36 13.040 -2.016 15.177 1.00 0.00 H new ATOM 0 HD13 LEU B 36 14.059 -1.347 13.880 1.00 0.00 H new ATOM 0 HD21 LEU B 36 16.424 -3.210 14.300 1.00 0.00 H new ATOM 0 HD22 LEU B 36 16.540 -1.451 14.059 1.00 0.00 H new ATOM 0 HD23 LEU B 36 17.296 -2.206 15.482 1.00 0.00 H new ATOM 1622 N PHE B 37 14.660 -1.420 19.367 1.00 0.00 N ATOM 1623 CA PHE B 37 14.784 -2.407 20.447 1.00 0.00 C ATOM 1624 C PHE B 37 13.682 -2.289 21.521 1.00 0.00 C ATOM 1625 O PHE B 37 13.740 -2.981 22.546 1.00 0.00 O ATOM 1626 CB PHE B 37 16.196 -2.289 21.049 1.00 0.00 C ATOM 1627 CG PHE B 37 17.294 -2.204 19.996 1.00 0.00 C ATOM 1628 CD1 PHE B 37 17.913 -0.968 19.721 1.00 0.00 C ATOM 1629 CD2 PHE B 37 17.644 -3.338 19.241 1.00 0.00 C ATOM 1630 CE1 PHE B 37 18.875 -0.869 18.705 1.00 0.00 C ATOM 1631 CE2 PHE B 37 18.601 -3.237 18.212 1.00 0.00 C ATOM 1632 CZ PHE B 37 19.220 -2.001 17.946 1.00 0.00 C ATOM 0 H PHE B 37 15.260 -0.608 19.514 1.00 0.00 H new ATOM 0 HA PHE B 37 14.641 -3.401 20.024 1.00 0.00 H new ATOM 0 HB2 PHE B 37 16.241 -1.403 21.683 1.00 0.00 H new ATOM 0 HB3 PHE B 37 16.383 -3.150 21.691 1.00 0.00 H new ATOM 0 HD1 PHE B 37 17.645 -0.093 20.295 1.00 0.00 H new ATOM 0 HD2 PHE B 37 17.178 -4.289 19.451 1.00 0.00 H new ATOM 0 HE1 PHE B 37 19.352 0.079 18.505 1.00 0.00 H new ATOM 0 HE2 PHE B 37 18.860 -4.108 17.627 1.00 0.00 H new ATOM 0 HZ PHE B 37 19.958 -1.923 17.161 1.00 0.00 H new ATOM 1642 N ASP B 38 12.697 -1.408 21.317 1.00 0.00 N ATOM 1643 CA ASP B 38 11.658 -1.013 22.282 1.00 0.00 C ATOM 1644 C ASP B 38 12.203 -0.362 23.574 1.00 0.00 C ATOM 1645 O ASP B 38 11.465 -0.157 24.540 1.00 0.00 O ATOM 1646 CB ASP B 38 10.665 -2.163 22.552 1.00 0.00 C ATOM 1647 CG ASP B 38 10.180 -2.869 21.285 1.00 0.00 C ATOM 1648 OD1 ASP B 38 10.236 -4.121 21.225 1.00 0.00 O ATOM 1649 OD2 ASP B 38 9.744 -2.189 20.324 1.00 0.00 O1- ATOM 0 H ASP B 38 12.595 -0.923 20.426 1.00 0.00 H new ATOM 0 HA ASP B 38 11.097 -0.212 21.802 1.00 0.00 H new ATOM 0 HB2 ASP B 38 11.140 -2.895 23.206 1.00 0.00 H new ATOM 0 HB3 ASP B 38 9.803 -1.768 23.089 1.00 0.00 H new ATOM 1654 N GLU B 39 13.487 0.014 23.603 1.00 0.00 N ATOM 1655 CA GLU B 39 14.077 0.853 24.649 1.00 0.00 C ATOM 1656 C GLU B 39 13.626 2.317 24.475 1.00 0.00 C ATOM 1657 O GLU B 39 13.642 2.858 23.361 1.00 0.00 O ATOM 1658 CB GLU B 39 15.607 0.712 24.646 1.00 0.00 C ATOM 1659 CG GLU B 39 16.283 1.455 25.804 1.00 0.00 C ATOM 1660 CD GLU B 39 17.819 1.349 25.709 1.00 0.00 C ATOM 1661 OE1 GLU B 39 18.441 0.679 26.570 1.00 0.00 O ATOM 1662 OE2 GLU B 39 18.413 1.950 24.780 1.00 0.00 O1- ATOM 0 H GLU B 39 14.157 -0.263 22.885 1.00 0.00 H new ATOM 0 HA GLU B 39 13.723 0.518 25.624 1.00 0.00 H new ATOM 0 HB2 GLU B 39 15.868 -0.345 24.699 1.00 0.00 H new ATOM 0 HB3 GLU B 39 15.999 1.090 23.702 1.00 0.00 H new ATOM 0 HG2 GLU B 39 15.986 2.504 25.790 1.00 0.00 H new ATOM 0 HG3 GLU B 39 15.945 1.040 26.753 1.00 0.00 H new ATOM 1669 N GLU B 40 13.213 2.953 25.573 1.00 0.00 N ATOM 1670 CA GLU B 40 12.741 4.340 25.610 1.00 0.00 C ATOM 1671 C GLU B 40 13.730 5.276 26.325 1.00 0.00 C ATOM 1672 O GLU B 40 14.389 4.893 27.296 1.00 0.00 O ATOM 1673 CB GLU B 40 11.356 4.422 26.273 1.00 0.00 C ATOM 1674 CG GLU B 40 10.262 3.716 25.454 1.00 0.00 C ATOM 1675 CD GLU B 40 8.890 3.730 26.162 1.00 0.00 C ATOM 1676 OE1 GLU B 40 8.113 2.755 26.000 1.00 0.00 O ATOM 1677 OE2 GLU B 40 8.556 4.704 26.877 1.00 0.00 O1- ATOM 0 H GLU B 40 13.197 2.504 26.489 1.00 0.00 H new ATOM 0 HA GLU B 40 12.665 4.678 24.576 1.00 0.00 H new ATOM 0 HB2 GLU B 40 11.406 3.975 27.266 1.00 0.00 H new ATOM 0 HB3 GLU B 40 11.084 5.469 26.408 1.00 0.00 H new ATOM 0 HG2 GLU B 40 10.170 4.201 24.482 1.00 0.00 H new ATOM 0 HG3 GLU B 40 10.561 2.684 25.268 1.00 0.00 H new ATOM 1684 N HIS B 41 13.785 6.524 25.857 1.00 0.00 N ATOM 1685 CA HIS B 41 14.608 7.614 26.405 1.00 0.00 C ATOM 1686 C HIS B 41 13.801 8.913 26.522 1.00 0.00 C ATOM 1687 O HIS B 41 12.864 9.142 25.752 1.00 0.00 O ATOM 1688 CB HIS B 41 15.860 7.815 25.531 1.00 0.00 C ATOM 1689 CG HIS B 41 16.797 6.628 25.532 1.00 0.00 C ATOM 1690 ND1 HIS B 41 17.742 6.362 26.528 1.00 0.00 N ATOM 1691 CD2 HIS B 41 16.838 5.626 24.604 1.00 0.00 C ATOM 1692 CE1 HIS B 41 18.325 5.197 26.184 1.00 0.00 C ATOM 1693 NE2 HIS B 41 17.802 4.735 25.034 1.00 0.00 N ATOM 0 H HIS B 41 13.235 6.820 25.051 1.00 0.00 H new ATOM 0 HA HIS B 41 14.925 7.338 27.411 1.00 0.00 H new ATOM 0 HB2 HIS B 41 15.549 8.020 24.507 1.00 0.00 H new ATOM 0 HB3 HIS B 41 16.400 8.694 25.882 1.00 0.00 H new ATOM 0 HD2 HIS B 41 16.236 5.546 23.711 1.00 0.00 H new ATOM 0 HE1 HIS B 41 19.101 4.704 26.751 1.00 0.00 H new ATOM 0 HE2 HIS B 41 18.072 3.873 24.560 1.00 0.00 H new ATOM 1701 N ALA B 42 14.168 9.779 27.474 1.00 0.00 N ATOM 1702 CA ALA B 42 13.500 11.056 27.738 1.00 0.00 C ATOM 1703 C ALA B 42 14.499 12.145 28.170 1.00 0.00 C ATOM 1704 O ALA B 42 15.441 11.887 28.926 1.00 0.00 O ATOM 1705 CB ALA B 42 12.401 10.850 28.794 1.00 0.00 C ATOM 0 H ALA B 42 14.957 9.606 28.097 1.00 0.00 H new ATOM 0 HA ALA B 42 13.042 11.406 26.813 1.00 0.00 H new ATOM 0 HB1 ALA B 42 11.903 11.799 28.991 1.00 0.00 H new ATOM 0 HB2 ALA B 42 11.672 10.128 28.425 1.00 0.00 H new ATOM 0 HB3 ALA B 42 12.847 10.476 29.715 1.00 0.00 H new ATOM 1711 N PHE B 43 14.272 13.371 27.694 1.00 0.00 N ATOM 1712 CA PHE B 43 15.193 14.505 27.799 1.00 0.00 C ATOM 1713 C PHE B 43 14.425 15.807 28.108 1.00 0.00 C ATOM 1714 O PHE B 43 14.006 16.516 27.181 1.00 0.00 O ATOM 1715 CB PHE B 43 16.018 14.611 26.502 1.00 0.00 C ATOM 1716 CG PHE B 43 16.756 13.338 26.129 1.00 0.00 C ATOM 1717 CD1 PHE B 43 17.955 13.007 26.790 1.00 0.00 C ATOM 1718 CD2 PHE B 43 16.234 12.473 25.144 1.00 0.00 C ATOM 1719 CE1 PHE B 43 18.616 11.806 26.486 1.00 0.00 C ATOM 1720 CE2 PHE B 43 16.899 11.274 24.836 1.00 0.00 C ATOM 1721 CZ PHE B 43 18.093 10.937 25.508 1.00 0.00 C ATOM 0 H PHE B 43 13.409 13.610 27.206 1.00 0.00 H new ATOM 0 HA PHE B 43 15.881 14.344 28.629 1.00 0.00 H new ATOM 0 HB2 PHE B 43 15.353 14.886 25.683 1.00 0.00 H new ATOM 0 HB3 PHE B 43 16.742 15.419 26.610 1.00 0.00 H new ATOM 0 HD1 PHE B 43 18.366 13.677 27.531 1.00 0.00 H new ATOM 0 HD2 PHE B 43 15.322 12.733 24.626 1.00 0.00 H new ATOM 0 HE1 PHE B 43 19.528 11.548 27.003 1.00 0.00 H new ATOM 0 HE2 PHE B 43 16.496 10.611 24.085 1.00 0.00 H new ATOM 0 HZ PHE B 43 18.605 10.015 25.273 1.00 0.00 H new ATOM 1731 N PRO B 44 14.185 16.132 29.395 1.00 0.00 N ATOM 1732 CA PRO B 44 13.576 17.400 29.795 1.00 0.00 C ATOM 1733 C PRO B 44 14.511 18.591 29.529 1.00 0.00 C ATOM 1734 O PRO B 44 15.736 18.490 29.636 1.00 0.00 O ATOM 1735 CB PRO B 44 13.228 17.238 31.280 1.00 0.00 C ATOM 1736 CG PRO B 44 14.254 16.218 31.779 1.00 0.00 C ATOM 1737 CD PRO B 44 14.474 15.315 30.569 1.00 0.00 C ATOM 0 HA PRO B 44 12.683 17.622 29.211 1.00 0.00 H new ATOM 0 HB2 PRO B 44 13.309 18.183 31.816 1.00 0.00 H new ATOM 0 HB3 PRO B 44 12.207 16.880 31.416 1.00 0.00 H new ATOM 0 HG2 PRO B 44 15.179 16.700 32.094 1.00 0.00 H new ATOM 0 HG3 PRO B 44 13.879 15.658 32.636 1.00 0.00 H new ATOM 0 HD2 PRO B 44 15.498 14.943 30.542 1.00 0.00 H new ATOM 0 HD3 PRO B 44 13.819 14.444 30.608 1.00 0.00 H new ATOM 1745 N GLY B 45 13.915 19.728 29.174 1.00 0.00 N ATOM 1746 CA GLY B 45 14.602 20.966 28.776 1.00 0.00 C ATOM 1747 C GLY B 45 14.900 21.079 27.274 1.00 0.00 C ATOM 1748 O GLY B 45 15.539 22.054 26.865 1.00 0.00 O ATOM 0 H GLY B 45 12.899 19.821 29.153 1.00 0.00 H new ATOM 0 HA2 GLY B 45 13.991 21.817 29.077 1.00 0.00 H new ATOM 0 HA3 GLY B 45 15.541 21.037 29.325 1.00 0.00 H new ATOM 1752 N LEU B 46 14.449 20.123 26.452 1.00 0.00 N ATOM 1753 CA LEU B 46 14.644 20.098 24.997 1.00 0.00 C ATOM 1754 C LEU B 46 13.331 20.236 24.202 1.00 0.00 C ATOM 1755 O LEU B 46 12.230 19.994 24.702 1.00 0.00 O ATOM 1756 CB LEU B 46 15.391 18.812 24.572 1.00 0.00 C ATOM 1757 CG LEU B 46 16.782 18.577 25.199 1.00 0.00 C ATOM 1758 CD1 LEU B 46 17.422 17.357 24.534 1.00 0.00 C ATOM 1759 CD2 LEU B 46 17.744 19.746 24.992 1.00 0.00 C ATOM 0 H LEU B 46 13.921 19.319 26.793 1.00 0.00 H new ATOM 0 HA LEU B 46 15.249 20.972 24.755 1.00 0.00 H new ATOM 0 HB2 LEU B 46 14.760 17.957 24.814 1.00 0.00 H new ATOM 0 HB3 LEU B 46 15.505 18.827 23.488 1.00 0.00 H new ATOM 0 HG LEU B 46 16.621 18.446 26.269 1.00 0.00 H new ATOM 0 HD11 LEU B 46 18.406 17.180 24.968 1.00 0.00 H new ATOM 0 HD12 LEU B 46 16.792 16.482 24.695 1.00 0.00 H new ATOM 0 HD13 LEU B 46 17.525 17.538 23.464 1.00 0.00 H new ATOM 0 HD21 LEU B 46 18.702 19.515 25.457 1.00 0.00 H new ATOM 0 HD22 LEU B 46 17.889 19.913 23.925 1.00 0.00 H new ATOM 0 HD23 LEU B 46 17.327 20.645 25.446 1.00 0.00 H new ATOM 1771 N ALA B 47 13.489 20.564 22.919 1.00 0.00 N ATOM 1772 CA ALA B 47 12.496 20.462 21.849 1.00 0.00 C ATOM 1773 C ALA B 47 13.176 19.994 20.545 1.00 0.00 C ATOM 1774 O ALA B 47 14.398 20.113 20.403 1.00 0.00 O ATOM 1775 CB ALA B 47 11.793 21.820 21.699 1.00 0.00 C ATOM 0 H ALA B 47 14.376 20.934 22.576 1.00 0.00 H new ATOM 0 HA ALA B 47 11.738 19.717 22.091 1.00 0.00 H new ATOM 0 HB1 ALA B 47 11.049 21.759 20.904 1.00 0.00 H new ATOM 0 HB2 ALA B 47 11.302 22.081 22.636 1.00 0.00 H new ATOM 0 HB3 ALA B 47 12.528 22.585 21.450 1.00 0.00 H new ATOM 1781 N ILE B 48 12.414 19.462 19.580 1.00 0.00 N ATOM 1782 CA ILE B 48 12.958 19.107 18.248 1.00 0.00 C ATOM 1783 C ILE B 48 13.266 20.402 17.478 1.00 0.00 C ATOM 1784 O ILE B 48 12.372 21.220 17.249 1.00 0.00 O ATOM 1785 CB ILE B 48 11.992 18.198 17.450 1.00 0.00 C ATOM 1786 CG1 ILE B 48 11.676 16.875 18.190 1.00 0.00 C ATOM 1787 CG2 ILE B 48 12.575 17.867 16.063 1.00 0.00 C ATOM 1788 CD1 ILE B 48 10.339 16.264 17.749 1.00 0.00 C ATOM 0 H ILE B 48 11.419 19.265 19.690 1.00 0.00 H new ATOM 0 HA ILE B 48 13.875 18.534 18.384 1.00 0.00 H new ATOM 0 HB ILE B 48 11.063 18.759 17.342 1.00 0.00 H new ATOM 0 HG12 ILE B 48 12.477 16.159 18.007 1.00 0.00 H new ATOM 0 HG13 ILE B 48 11.652 17.059 19.264 1.00 0.00 H new ATOM 0 HG21 ILE B 48 11.880 17.227 15.519 1.00 0.00 H new ATOM 0 HG22 ILE B 48 12.732 18.790 15.504 1.00 0.00 H new ATOM 0 HG23 ILE B 48 13.527 17.349 16.182 1.00 0.00 H new ATOM 0 HD11 ILE B 48 10.164 15.338 18.297 1.00 0.00 H new ATOM 0 HD12 ILE B 48 9.532 16.967 17.956 1.00 0.00 H new ATOM 0 HD13 ILE B 48 10.371 16.053 16.680 1.00 0.00 H new ATOM 1800 N GLY B 49 14.533 20.604 17.094 1.00 0.00 N ATOM 1801 CA GLY B 49 14.993 21.802 16.389 1.00 0.00 C ATOM 1802 C GLY B 49 15.018 21.639 14.869 1.00 0.00 C ATOM 1803 O GLY B 49 14.552 22.525 14.147 1.00 0.00 O ATOM 0 H GLY B 49 15.277 19.928 17.268 1.00 0.00 H new ATOM 0 HA2 GLY B 49 14.343 22.638 16.647 1.00 0.00 H new ATOM 0 HA3 GLY B 49 15.994 22.057 16.736 1.00 0.00 H new ATOM 1807 N ARG B 50 15.546 20.510 14.374 1.00 0.00 N ATOM 1808 CA ARG B 50 15.774 20.252 12.944 1.00 0.00 C ATOM 1809 C ARG B 50 15.669 18.763 12.614 1.00 0.00 C ATOM 1810 O ARG B 50 16.060 17.916 13.415 1.00 0.00 O ATOM 1811 CB ARG B 50 17.147 20.835 12.551 1.00 0.00 C ATOM 1812 CG ARG B 50 17.402 20.924 11.040 1.00 0.00 C ATOM 1813 CD ARG B 50 18.693 21.703 10.737 1.00 0.00 C ATOM 1814 NE ARG B 50 19.882 20.830 10.789 1.00 0.00 N ATOM 1815 CZ ARG B 50 20.421 20.171 9.777 1.00 0.00 C ATOM 1816 NH1 ARG B 50 20.031 20.320 8.545 1.00 0.00 N1+ ATOM 1817 NH2 ARG B 50 21.380 19.312 9.976 1.00 0.00 N ATOM 0 H ARG B 50 15.833 19.733 14.970 1.00 0.00 H new ATOM 0 HA ARG B 50 14.996 20.743 12.359 1.00 0.00 H new ATOM 0 HB2 ARG B 50 17.238 21.833 12.980 1.00 0.00 H new ATOM 0 HB3 ARG B 50 17.928 20.222 13.001 1.00 0.00 H new ATOM 0 HG2 ARG B 50 17.473 19.920 10.621 1.00 0.00 H new ATOM 0 HG3 ARG B 50 16.557 21.413 10.554 1.00 0.00 H new ATOM 0 HD2 ARG B 50 18.619 22.159 9.750 1.00 0.00 H new ATOM 0 HD3 ARG B 50 18.806 22.515 11.456 1.00 0.00 H new ATOM 0 HE ARG B 50 20.334 20.724 11.697 1.00 0.00 H new ATOM 0 HH11 ARG B 50 19.276 20.969 8.324 1.00 0.00 H new ATOM 0 HH12 ARG B 50 20.480 19.787 7.800 1.00 0.00 H new ATOM 0 HH21 ARG B 50 21.724 19.141 10.921 1.00 0.00 H new ATOM 0 HH22 ARG B 50 21.787 18.810 9.187 1.00 0.00 H new ATOM 1831 N VAL B 51 15.191 18.452 11.413 1.00 0.00 N ATOM 1832 CA VAL B 51 15.177 17.105 10.825 1.00 0.00 C ATOM 1833 C VAL B 51 15.784 17.181 9.423 1.00 0.00 C ATOM 1834 O VAL B 51 15.404 18.050 8.644 1.00 0.00 O ATOM 1835 CB VAL B 51 13.752 16.502 10.794 1.00 0.00 C ATOM 1836 CG1 VAL B 51 13.794 15.040 10.338 1.00 0.00 C ATOM 1837 CG2 VAL B 51 13.062 16.558 12.168 1.00 0.00 C ATOM 0 H VAL B 51 14.786 19.154 10.794 1.00 0.00 H new ATOM 0 HA VAL B 51 15.773 16.437 11.447 1.00 0.00 H new ATOM 0 HB VAL B 51 13.180 17.106 10.090 1.00 0.00 H new ATOM 0 HG11 VAL B 51 12.782 14.634 10.323 1.00 0.00 H new ATOM 0 HG12 VAL B 51 14.223 14.983 9.337 1.00 0.00 H new ATOM 0 HG13 VAL B 51 14.407 14.461 11.029 1.00 0.00 H new ATOM 0 HG21 VAL B 51 12.065 16.123 12.093 1.00 0.00 H new ATOM 0 HG22 VAL B 51 13.650 15.995 12.893 1.00 0.00 H new ATOM 0 HG23 VAL B 51 12.981 17.595 12.493 1.00 0.00 H new ATOM 1847 N ASP B 52 16.733 16.298 9.100 1.00 0.00 N ATOM 1848 CA ASP B 52 17.508 16.311 7.850 1.00 0.00 C ATOM 1849 C ASP B 52 17.561 14.905 7.240 1.00 0.00 C ATOM 1850 O ASP B 52 18.306 14.025 7.680 1.00 0.00 O ATOM 1851 CB ASP B 52 18.901 16.902 8.129 1.00 0.00 C ATOM 1852 CG ASP B 52 19.683 17.216 6.849 1.00 0.00 C ATOM 1853 OD1 ASP B 52 20.519 18.150 6.877 1.00 0.00 O ATOM 1854 OD2 ASP B 52 19.441 16.605 5.784 1.00 0.00 O1- ATOM 0 H ASP B 52 16.993 15.530 9.718 1.00 0.00 H new ATOM 0 HA ASP B 52 17.024 16.946 7.108 1.00 0.00 H new ATOM 0 HB2 ASP B 52 18.792 17.814 8.715 1.00 0.00 H new ATOM 0 HB3 ASP B 52 19.473 16.200 8.735 1.00 0.00 H new ATOM 1859 N LEU B 53 16.721 14.692 6.232 1.00 0.00 N ATOM 1860 CA LEU B 53 16.417 13.387 5.642 1.00 0.00 C ATOM 1861 C LEU B 53 17.468 12.924 4.619 1.00 0.00 C ATOM 1862 O LEU B 53 17.462 11.761 4.215 1.00 0.00 O ATOM 1863 CB LEU B 53 14.999 13.414 5.037 1.00 0.00 C ATOM 1864 CG LEU B 53 13.824 13.696 6.005 1.00 0.00 C ATOM 1865 CD1 LEU B 53 13.885 12.832 7.265 1.00 0.00 C ATOM 1866 CD2 LEU B 53 13.631 15.165 6.410 1.00 0.00 C ATOM 0 H LEU B 53 16.211 15.453 5.784 1.00 0.00 H new ATOM 0 HA LEU B 53 16.452 12.646 6.440 1.00 0.00 H new ATOM 0 HB2 LEU B 53 14.980 14.171 4.253 1.00 0.00 H new ATOM 0 HB3 LEU B 53 14.818 12.453 4.556 1.00 0.00 H new ATOM 0 HG LEU B 53 12.954 13.426 5.407 1.00 0.00 H new ATOM 0 HD11 LEU B 53 13.039 13.069 7.910 1.00 0.00 H new ATOM 0 HD12 LEU B 53 13.845 11.779 6.986 1.00 0.00 H new ATOM 0 HD13 LEU B 53 14.815 13.031 7.798 1.00 0.00 H new ATOM 0 HD21 LEU B 53 12.782 15.247 7.088 1.00 0.00 H new ATOM 0 HD22 LEU B 53 14.530 15.526 6.909 1.00 0.00 H new ATOM 0 HD23 LEU B 53 13.444 15.766 5.520 1.00 0.00 H new ATOM 1878 N ARG B 54 18.408 13.802 4.247 1.00 0.00 N ATOM 1879 CA ARG B 54 19.590 13.480 3.425 1.00 0.00 C ATOM 1880 C ARG B 54 20.592 12.591 4.179 1.00 0.00 C ATOM 1881 O ARG B 54 21.355 11.856 3.546 1.00 0.00 O ATOM 1882 CB ARG B 54 20.260 14.787 2.969 1.00 0.00 C ATOM 1883 CG ARG B 54 19.334 15.669 2.105 1.00 0.00 C ATOM 1884 CD ARG B 54 19.874 17.097 1.951 1.00 0.00 C ATOM 1885 NE ARG B 54 19.832 17.830 3.228 1.00 0.00 N ATOM 1886 CZ ARG B 54 19.553 19.105 3.424 1.00 0.00 C ATOM 1887 NH1 ARG B 54 19.199 19.923 2.474 1.00 0.00 N1+ ATOM 1888 NH2 ARG B 54 19.623 19.594 4.620 1.00 0.00 N ATOM 0 H ARG B 54 18.370 14.785 4.515 1.00 0.00 H new ATOM 0 HA ARG B 54 19.258 12.913 2.555 1.00 0.00 H new ATOM 0 HB2 ARG B 54 20.576 15.352 3.846 1.00 0.00 H new ATOM 0 HB3 ARG B 54 21.160 14.549 2.401 1.00 0.00 H new ATOM 0 HG2 ARG B 54 19.220 15.217 1.120 1.00 0.00 H new ATOM 0 HG3 ARG B 54 18.343 15.704 2.557 1.00 0.00 H new ATOM 0 HD2 ARG B 54 20.900 17.062 1.584 1.00 0.00 H new ATOM 0 HD3 ARG B 54 19.286 17.631 1.204 1.00 0.00 H new ATOM 0 HE ARG B 54 20.045 17.285 4.064 1.00 0.00 H new ATOM 0 HH11 ARG B 54 19.125 19.588 1.514 1.00 0.00 H new ATOM 0 HH12 ARG B 54 18.996 20.899 2.691 1.00 0.00 H new ATOM 0 HH21 ARG B 54 19.892 18.995 5.401 1.00 0.00 H new ATOM 0 HH22 ARG B 54 19.409 20.578 4.782 1.00 0.00 H new ATOM 1902 N SER B 55 20.548 12.631 5.515 1.00 0.00 N ATOM 1903 CA SER B 55 21.398 11.855 6.440 1.00 0.00 C ATOM 1904 C SER B 55 20.605 11.084 7.518 1.00 0.00 C ATOM 1905 O SER B 55 21.204 10.396 8.354 1.00 0.00 O ATOM 1906 CB SER B 55 22.434 12.773 7.108 1.00 0.00 C ATOM 1907 OG SER B 55 23.239 13.430 6.138 1.00 0.00 O ATOM 0 H SER B 55 19.889 13.232 6.010 1.00 0.00 H new ATOM 0 HA SER B 55 21.898 11.103 5.830 1.00 0.00 H new ATOM 0 HB2 SER B 55 21.924 13.514 7.724 1.00 0.00 H new ATOM 0 HB3 SER B 55 23.068 12.187 7.774 1.00 0.00 H new ATOM 0 HG SER B 55 23.888 14.009 6.589 1.00 0.00 H new ATOM 1913 N GLY B 56 19.267 11.186 7.529 1.00 0.00 N ATOM 1914 CA GLY B 56 18.388 10.571 8.537 1.00 0.00 C ATOM 1915 C GLY B 56 18.533 11.154 9.949 1.00 0.00 C ATOM 1916 O GLY B 56 18.279 10.448 10.924 1.00 0.00 O ATOM 0 H GLY B 56 18.754 11.711 6.821 1.00 0.00 H new ATOM 0 HA2 GLY B 56 17.353 10.684 8.215 1.00 0.00 H new ATOM 0 HA3 GLY B 56 18.594 9.501 8.576 1.00 0.00 H new ATOM 1920 N VAL B 57 18.991 12.403 10.088 1.00 0.00 N ATOM 1921 CA VAL B 57 19.311 13.030 11.383 1.00 0.00 C ATOM 1922 C VAL B 57 18.109 13.781 11.957 1.00 0.00 C ATOM 1923 O VAL B 57 17.459 14.557 11.256 1.00 0.00 O ATOM 1924 CB VAL B 57 20.551 13.943 11.262 1.00 0.00 C ATOM 1925 CG1 VAL B 57 20.843 14.750 12.533 1.00 0.00 C ATOM 1926 CG2 VAL B 57 21.804 13.107 10.962 1.00 0.00 C ATOM 0 H VAL B 57 19.154 13.020 9.292 1.00 0.00 H new ATOM 0 HA VAL B 57 19.554 12.234 12.087 1.00 0.00 H new ATOM 0 HB VAL B 57 20.320 14.636 10.453 1.00 0.00 H new ATOM 0 HG11 VAL B 57 21.727 15.369 12.376 1.00 0.00 H new ATOM 0 HG12 VAL B 57 19.990 15.388 12.763 1.00 0.00 H new ATOM 0 HG13 VAL B 57 21.020 14.068 13.364 1.00 0.00 H new ATOM 0 HG21 VAL B 57 22.669 13.765 10.880 1.00 0.00 H new ATOM 0 HG22 VAL B 57 21.967 12.393 11.769 1.00 0.00 H new ATOM 0 HG23 VAL B 57 21.667 12.569 10.024 1.00 0.00 H new ATOM 1936 N ILE B 58 17.858 13.596 13.253 1.00 0.00 N ATOM 1937 CA ILE B 58 16.964 14.415 14.084 1.00 0.00 C ATOM 1938 C ILE B 58 17.840 15.142 15.120 1.00 0.00 C ATOM 1939 O ILE B 58 18.552 14.496 15.888 1.00 0.00 O ATOM 1940 CB ILE B 58 15.874 13.524 14.724 1.00 0.00 C ATOM 1941 CG1 ILE B 58 14.902 13.003 13.642 1.00 0.00 C ATOM 1942 CG2 ILE B 58 15.115 14.257 15.841 1.00 0.00 C ATOM 1943 CD1 ILE B 58 13.933 11.917 14.122 1.00 0.00 C ATOM 0 H ILE B 58 18.290 12.837 13.780 1.00 0.00 H new ATOM 0 HA ILE B 58 16.431 15.161 13.495 1.00 0.00 H new ATOM 0 HB ILE B 58 16.372 12.671 15.185 1.00 0.00 H new ATOM 0 HG12 ILE B 58 14.324 13.843 13.258 1.00 0.00 H new ATOM 0 HG13 ILE B 58 15.484 12.609 12.809 1.00 0.00 H new ATOM 0 HG21 ILE B 58 14.359 13.594 16.263 1.00 0.00 H new ATOM 0 HG22 ILE B 58 15.815 14.553 16.623 1.00 0.00 H new ATOM 0 HG23 ILE B 58 14.632 15.144 15.431 1.00 0.00 H new ATOM 0 HD11 ILE B 58 13.290 11.612 13.296 1.00 0.00 H new ATOM 0 HD12 ILE B 58 14.499 11.056 14.478 1.00 0.00 H new ATOM 0 HD13 ILE B 58 13.320 12.309 14.934 1.00 0.00 H new ATOM 1955 N SER B 59 17.804 16.477 15.143 1.00 0.00 N ATOM 1956 CA SER B 59 18.617 17.319 16.029 1.00 0.00 C ATOM 1957 C SER B 59 17.741 18.077 17.033 1.00 0.00 C ATOM 1958 O SER B 59 16.812 18.798 16.647 1.00 0.00 O ATOM 1959 CB SER B 59 19.459 18.282 15.190 1.00 0.00 C ATOM 1960 OG SER B 59 20.306 19.057 16.022 1.00 0.00 O ATOM 0 H SER B 59 17.193 17.018 14.531 1.00 0.00 H new ATOM 0 HA SER B 59 19.285 16.680 16.606 1.00 0.00 H new ATOM 0 HB2 SER B 59 20.058 17.720 14.474 1.00 0.00 H new ATOM 0 HB3 SER B 59 18.806 18.938 14.614 1.00 0.00 H new ATOM 0 HG SER B 59 20.839 19.666 15.469 1.00 0.00 H new ATOM 1966 N LEU B 60 18.018 17.891 18.322 1.00 0.00 N ATOM 1967 CA LEU B 60 17.313 18.549 19.428 1.00 0.00 C ATOM 1968 C LEU B 60 18.023 19.833 19.888 1.00 0.00 C ATOM 1969 O LEU B 60 19.252 19.936 19.843 1.00 0.00 O ATOM 1970 CB LEU B 60 17.118 17.561 20.592 1.00 0.00 C ATOM 1971 CG LEU B 60 16.544 16.177 20.225 1.00 0.00 C ATOM 1972 CD1 LEU B 60 16.269 15.381 21.503 1.00 0.00 C ATOM 1973 CD2 LEU B 60 15.235 16.266 19.439 1.00 0.00 C ATOM 0 H LEU B 60 18.757 17.263 18.638 1.00 0.00 H new ATOM 0 HA LEU B 60 16.332 18.856 19.065 1.00 0.00 H new ATOM 0 HB2 LEU B 60 18.081 17.413 21.080 1.00 0.00 H new ATOM 0 HB3 LEU B 60 16.456 18.022 21.325 1.00 0.00 H new ATOM 0 HG LEU B 60 17.289 15.688 19.597 1.00 0.00 H new ATOM 0 HD11 LEU B 60 15.863 14.403 21.243 1.00 0.00 H new ATOM 0 HD12 LEU B 60 17.198 15.252 22.058 1.00 0.00 H new ATOM 0 HD13 LEU B 60 15.549 15.920 22.119 1.00 0.00 H new ATOM 0 HD21 LEU B 60 14.879 15.262 19.209 1.00 0.00 H new ATOM 0 HD22 LEU B 60 14.487 16.788 20.036 1.00 0.00 H new ATOM 0 HD23 LEU B 60 15.404 16.812 18.511 1.00 0.00 H new ATOM 1985 N ILE B 61 17.235 20.801 20.365 1.00 0.00 N ATOM 1986 CA ILE B 61 17.682 22.114 20.863 1.00 0.00 C ATOM 1987 C ILE B 61 17.068 22.413 22.236 1.00 0.00 C ATOM 1988 O ILE B 61 16.054 21.829 22.610 1.00 0.00 O ATOM 1989 CB ILE B 61 17.409 23.231 19.830 1.00 0.00 C ATOM 1990 CG1 ILE B 61 15.935 23.401 19.391 1.00 0.00 C ATOM 1991 CG2 ILE B 61 18.282 23.006 18.584 1.00 0.00 C ATOM 1992 CD1 ILE B 61 15.055 24.219 20.350 1.00 0.00 C ATOM 0 H ILE B 61 16.222 20.690 20.419 1.00 0.00 H new ATOM 0 HA ILE B 61 18.763 22.081 20.999 1.00 0.00 H new ATOM 0 HB ILE B 61 17.663 24.156 20.348 1.00 0.00 H new ATOM 0 HG12 ILE B 61 15.918 23.878 18.411 1.00 0.00 H new ATOM 0 HG13 ILE B 61 15.492 22.412 19.272 1.00 0.00 H new ATOM 0 HG21 ILE B 61 18.088 23.794 17.857 1.00 0.00 H new ATOM 0 HG22 ILE B 61 19.334 23.025 18.869 1.00 0.00 H new ATOM 0 HG23 ILE B 61 18.043 22.038 18.142 1.00 0.00 H new ATOM 0 HD11 ILE B 61 14.042 24.279 19.952 1.00 0.00 H new ATOM 0 HD12 ILE B 61 15.033 23.735 21.326 1.00 0.00 H new ATOM 0 HD13 ILE B 61 15.465 25.224 20.453 1.00 0.00 H new ATOM 2004 N GLU B 62 17.681 23.317 23.008 1.00 0.00 N ATOM 2005 CA GLU B 62 17.169 23.731 24.324 1.00 0.00 C ATOM 2006 C GLU B 62 15.880 24.565 24.194 1.00 0.00 C ATOM 2007 O GLU B 62 15.818 25.532 23.427 1.00 0.00 O ATOM 2008 CB GLU B 62 18.242 24.505 25.109 1.00 0.00 C ATOM 2009 CG GLU B 62 19.435 23.607 25.483 1.00 0.00 C ATOM 2010 CD GLU B 62 20.481 24.365 26.321 1.00 0.00 C ATOM 2011 OE1 GLU B 62 20.792 23.913 27.447 1.00 0.00 O ATOM 2012 OE2 GLU B 62 21.028 25.397 25.856 1.00 0.00 O1- ATOM 0 H GLU B 62 18.547 23.784 22.740 1.00 0.00 H new ATOM 0 HA GLU B 62 16.921 22.826 24.879 1.00 0.00 H new ATOM 0 HB2 GLU B 62 18.593 25.346 24.512 1.00 0.00 H new ATOM 0 HB3 GLU B 62 17.801 24.920 26.015 1.00 0.00 H new ATOM 0 HG2 GLU B 62 19.078 22.743 26.043 1.00 0.00 H new ATOM 0 HG3 GLU B 62 19.903 23.227 24.575 1.00 0.00 H new ATOM 2019 N GLU B 63 14.830 24.198 24.941 1.00 0.00 N ATOM 2020 CA GLU B 63 13.496 24.825 24.848 1.00 0.00 C ATOM 2021 C GLU B 63 13.412 26.227 25.491 1.00 0.00 C ATOM 2022 O GLU B 63 12.520 27.008 25.150 1.00 0.00 O ATOM 2023 CB GLU B 63 12.430 23.856 25.394 1.00 0.00 C ATOM 2024 CG GLU B 63 12.475 23.601 26.912 1.00 0.00 C ATOM 2025 CD GLU B 63 11.529 24.482 27.759 1.00 0.00 C ATOM 2026 OE1 GLU B 63 10.417 24.841 27.301 1.00 0.00 O ATOM 2027 OE2 GLU B 63 11.883 24.781 28.922 1.00 0.00 O1- ATOM 0 H GLU B 63 14.879 23.451 25.634 1.00 0.00 H new ATOM 0 HA GLU B 63 13.297 25.010 23.792 1.00 0.00 H new ATOM 0 HB2 GLU B 63 11.445 24.247 25.139 1.00 0.00 H new ATOM 0 HB3 GLU B 63 12.537 22.901 24.880 1.00 0.00 H new ATOM 0 HG2 GLU B 63 12.231 22.555 27.095 1.00 0.00 H new ATOM 0 HG3 GLU B 63 13.497 23.756 27.259 1.00 0.00 H new