USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 851 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 5 LYS NZ :NH3+ 162:sc= 0.611 (180deg=0.0454) USER MOD Set 1.2: B 55 SER OG : rot 21:sc= 0.571 USER MOD Set 2.1: A 5 LYS NZ :NH3+ 178:sc= 0.909 (180deg=0.426) USER MOD Set 2.2: A 55 SER OG : rot 180:sc= 0.469 USER MOD Single : A 34 THR OG1 : rot -120:sc= -0.0141 USER MOD Single : A 35 THR OG1 : rot -56:sc= 0.0148 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : B 3 MET CE :methyl 151:sc= -0.124 (180deg=-2.11!) USER MOD Single : B 9 THR OG1 : rot 170:sc= 0.729 USER MOD Single : B 10 LYS NZ :NH3+ 163:sc= 1.2 (180deg=1.06) USER MOD Single : B 34 THR OG1 : rot -130:sc= 0.817 USER MOD Single : B 35 THR OG1 : rot 180:sc= 0 USER MOD Single : B 41 HIS : no HD1:sc= -0.0108 X(o=-0.011,f=-0.011) USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 87 N ALA A 4 10.685 11.514 3.496 1.00 0.00 N ATOM 88 CA ALA A 4 9.559 11.676 4.415 1.00 0.00 C ATOM 89 C ALA A 4 8.365 12.436 3.793 1.00 0.00 C ATOM 90 O ALA A 4 8.454 12.990 2.690 1.00 0.00 O ATOM 91 CB ALA A 4 10.092 12.377 5.675 1.00 0.00 C ATOM 0 HA ALA A 4 9.155 10.694 4.663 1.00 0.00 H new ATOM 0 HB1 ALA A 4 9.278 12.516 6.386 1.00 0.00 H new ATOM 0 HB2 ALA A 4 10.871 11.765 6.130 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.506 13.348 5.404 1.00 0.00 H new ATOM 97 N LYS A 5 7.267 12.508 4.549 1.00 0.00 N ATOM 98 CA LYS A 5 6.084 13.343 4.287 1.00 0.00 C ATOM 99 C LYS A 5 5.682 14.151 5.529 1.00 0.00 C ATOM 100 O LYS A 5 5.683 13.635 6.646 1.00 0.00 O ATOM 101 CB LYS A 5 4.936 12.494 3.714 1.00 0.00 C ATOM 102 CG LYS A 5 4.490 11.309 4.594 1.00 0.00 C ATOM 103 CD LYS A 5 3.323 10.550 3.940 1.00 0.00 C ATOM 104 CE LYS A 5 2.819 9.378 4.787 1.00 0.00 C ATOM 105 NZ LYS A 5 3.739 8.214 4.758 1.00 0.00 N1+ ATOM 0 H LYS A 5 7.170 11.960 5.404 1.00 0.00 H new ATOM 0 HA LYS A 5 6.337 14.079 3.524 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.077 13.142 3.544 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.242 12.108 2.742 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.329 10.631 4.750 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.188 11.673 5.576 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.500 11.243 3.763 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.640 10.177 2.966 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.690 9.709 5.818 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.838 9.070 4.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.368 7.463 5.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.817 7.857 3.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.678 8.506 5.096 1.00 0.00 H new ATOM 119 N VAL A 6 5.348 15.426 5.332 1.00 0.00 N ATOM 120 CA VAL A 6 4.964 16.376 6.391 1.00 0.00 C ATOM 121 C VAL A 6 3.443 16.532 6.444 1.00 0.00 C ATOM 122 O VAL A 6 2.788 16.557 5.398 1.00 0.00 O ATOM 123 CB VAL A 6 5.623 17.762 6.205 1.00 0.00 C ATOM 124 CG1 VAL A 6 5.488 18.649 7.448 1.00 0.00 C ATOM 125 CG2 VAL A 6 7.117 17.665 5.870 1.00 0.00 C ATOM 0 H VAL A 6 5.335 15.846 4.402 1.00 0.00 H new ATOM 0 HA VAL A 6 5.324 15.962 7.333 1.00 0.00 H new ATOM 0 HB VAL A 6 5.084 18.209 5.369 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.968 19.610 7.263 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.432 18.807 7.669 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.968 18.161 8.297 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.529 18.667 5.750 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.639 17.153 6.678 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.247 17.106 4.943 1.00 0.00 H new ATOM 135 N VAL A 7 2.885 16.695 7.645 1.00 0.00 N ATOM 136 CA VAL A 7 1.472 17.023 7.885 1.00 0.00 C ATOM 137 C VAL A 7 1.316 18.043 9.017 1.00 0.00 C ATOM 138 O VAL A 7 2.064 18.025 9.997 1.00 0.00 O ATOM 139 CB VAL A 7 0.638 15.743 8.101 1.00 0.00 C ATOM 140 CG1 VAL A 7 1.073 14.921 9.326 1.00 0.00 C ATOM 141 CG2 VAL A 7 -0.859 16.044 8.248 1.00 0.00 C ATOM 0 H VAL A 7 3.419 16.600 8.509 1.00 0.00 H new ATOM 0 HA VAL A 7 1.074 17.505 6.992 1.00 0.00 H new ATOM 0 HB VAL A 7 0.820 15.155 7.201 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.442 14.037 9.414 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.112 14.615 9.208 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.974 15.528 10.226 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.404 15.112 8.398 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.016 16.699 9.105 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.222 16.535 7.345 1.00 0.00 H new ATOM 151 N LEU A 8 0.333 18.940 8.878 1.00 0.00 N ATOM 152 CA LEU A 8 0.013 19.984 9.859 1.00 0.00 C ATOM 153 C LEU A 8 -1.493 20.279 9.915 1.00 0.00 C ATOM 154 O LEU A 8 -2.215 20.070 8.935 1.00 0.00 O ATOM 155 CB LEU A 8 0.841 21.254 9.553 1.00 0.00 C ATOM 156 CG LEU A 8 0.505 21.988 8.238 1.00 0.00 C ATOM 157 CD1 LEU A 8 -0.563 23.075 8.422 1.00 0.00 C ATOM 158 CD2 LEU A 8 1.756 22.660 7.676 1.00 0.00 C ATOM 0 H LEU A 8 -0.277 18.961 8.061 1.00 0.00 H new ATOM 0 HA LEU A 8 0.285 19.623 10.851 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.712 21.954 10.378 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.895 20.978 9.531 1.00 0.00 H new ATOM 0 HG LEU A 8 0.120 21.229 7.556 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.759 23.558 7.465 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.482 22.623 8.796 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.207 23.817 9.137 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.507 23.175 6.748 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.138 23.380 8.399 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.517 21.905 7.479 1.00 0.00 H new ATOM 266 N VAL A 16 -2.900 20.587 5.869 1.00 0.00 N ATOM 267 CA VAL A 16 -1.959 20.617 4.729 1.00 0.00 C ATOM 268 C VAL A 16 -1.010 19.419 4.812 1.00 0.00 C ATOM 269 O VAL A 16 -0.567 19.042 5.900 1.00 0.00 O ATOM 270 CB VAL A 16 -1.171 21.955 4.676 1.00 0.00 C ATOM 271 CG1 VAL A 16 -0.308 22.075 3.415 1.00 0.00 C ATOM 272 CG2 VAL A 16 -2.088 23.188 4.747 1.00 0.00 C ATOM 0 HA VAL A 16 -2.532 20.549 3.805 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.530 21.933 5.557 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.222 23.027 3.426 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.414 21.258 3.389 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.945 22.025 2.532 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.483 24.094 4.706 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.780 23.175 3.905 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.651 23.170 5.680 1.00 0.00 H new ATOM 282 N GLU A 17 -0.679 18.823 3.663 1.00 0.00 N ATOM 283 CA GLU A 17 0.244 17.682 3.527 1.00 0.00 C ATOM 284 C GLU A 17 1.278 17.947 2.416 1.00 0.00 C ATOM 285 O GLU A 17 0.942 18.513 1.370 1.00 0.00 O ATOM 286 CB GLU A 17 -0.527 16.387 3.229 1.00 0.00 C ATOM 287 CG GLU A 17 -1.435 15.935 4.382 1.00 0.00 C ATOM 288 CD GLU A 17 -2.276 14.693 4.019 1.00 0.00 C ATOM 289 OE1 GLU A 17 -1.782 13.788 3.299 1.00 0.00 O ATOM 290 OE2 GLU A 17 -3.450 14.600 4.461 1.00 0.00 O1- ATOM 0 H GLU A 17 -1.058 19.130 2.767 1.00 0.00 H new ATOM 0 HA GLU A 17 0.770 17.563 4.474 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.134 16.532 2.335 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.185 15.593 3.005 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.823 15.713 5.256 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.101 16.753 4.658 1.00 0.00 H new ATOM 297 N ILE A 18 2.538 17.545 2.639 1.00 0.00 N ATOM 298 CA ILE A 18 3.689 17.864 1.770 1.00 0.00 C ATOM 299 C ILE A 18 4.583 16.628 1.612 1.00 0.00 C ATOM 300 O ILE A 18 5.184 16.163 2.584 1.00 0.00 O ATOM 301 CB ILE A 18 4.492 19.072 2.331 1.00 0.00 C ATOM 302 CG1 ILE A 18 3.595 20.278 2.707 1.00 0.00 C ATOM 303 CG2 ILE A 18 5.586 19.494 1.330 1.00 0.00 C ATOM 304 CD1 ILE A 18 4.327 21.396 3.448 1.00 0.00 C ATOM 0 H ILE A 18 2.795 16.976 3.446 1.00 0.00 H new ATOM 0 HA ILE A 18 3.317 18.149 0.786 1.00 0.00 H new ATOM 0 HB ILE A 18 4.958 18.739 3.258 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.156 20.687 1.797 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.772 19.925 3.328 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.142 20.341 1.734 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.267 18.660 1.162 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.124 19.781 0.385 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.628 22.201 3.674 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.743 21.005 4.377 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.133 21.780 2.823 1.00 0.00 H new ATOM 316 N GLY A 19 4.671 16.086 0.398 1.00 0.00 N ATOM 317 CA GLY A 19 5.476 14.902 0.075 1.00 0.00 C ATOM 318 C GLY A 19 6.929 15.204 -0.307 1.00 0.00 C ATOM 319 O GLY A 19 7.282 16.338 -0.637 1.00 0.00 O ATOM 0 H GLY A 19 4.174 16.464 -0.409 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.472 14.231 0.934 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.001 14.369 -0.749 1.00 0.00 H new ATOM 323 N ASP A 20 7.763 14.164 -0.306 1.00 0.00 N ATOM 324 CA ASP A 20 9.147 14.161 -0.820 1.00 0.00 C ATOM 325 C ASP A 20 10.085 15.218 -0.201 1.00 0.00 C ATOM 326 O ASP A 20 10.921 15.826 -0.881 1.00 0.00 O ATOM 327 CB ASP A 20 9.160 14.132 -2.359 1.00 0.00 C ATOM 328 CG ASP A 20 8.288 13.031 -2.985 1.00 0.00 C ATOM 329 OD1 ASP A 20 7.788 13.233 -4.119 1.00 0.00 O ATOM 330 OD2 ASP A 20 8.133 11.934 -2.390 1.00 0.00 O1- ATOM 0 H ASP A 20 7.487 13.256 0.068 1.00 0.00 H new ATOM 0 HA ASP A 20 9.594 13.230 -0.471 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.823 15.100 -2.731 1.00 0.00 H new ATOM 0 HB3 ASP A 20 10.187 14.001 -2.698 1.00 0.00 H new ATOM 335 N VAL A 21 9.943 15.459 1.104 1.00 0.00 N ATOM 336 CA VAL A 21 10.732 16.453 1.853 1.00 0.00 C ATOM 337 C VAL A 21 12.158 15.946 2.143 1.00 0.00 C ATOM 338 O VAL A 21 12.344 14.809 2.581 1.00 0.00 O ATOM 339 CB VAL A 21 9.957 16.897 3.113 1.00 0.00 C ATOM 340 CG1 VAL A 21 10.001 15.879 4.257 1.00 0.00 C ATOM 341 CG2 VAL A 21 10.450 18.234 3.657 1.00 0.00 C ATOM 0 H VAL A 21 9.266 14.963 1.684 1.00 0.00 H new ATOM 0 HA VAL A 21 10.871 17.342 1.238 1.00 0.00 H new ATOM 0 HB VAL A 21 8.928 16.988 2.766 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.435 16.261 5.106 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.564 14.938 3.924 1.00 0.00 H new ATOM 0 HG13 VAL A 21 11.036 15.712 4.556 1.00 0.00 H new ATOM 0 HG21 VAL A 21 9.873 18.502 4.542 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.504 18.153 3.922 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.325 19.005 2.896 1.00 0.00 H new ATOM 351 N LEU A 22 13.166 16.788 1.914 1.00 0.00 N ATOM 352 CA LEU A 22 14.576 16.532 2.248 1.00 0.00 C ATOM 353 C LEU A 22 14.969 17.043 3.639 1.00 0.00 C ATOM 354 O LEU A 22 15.855 16.473 4.275 1.00 0.00 O ATOM 355 CB LEU A 22 15.484 17.192 1.196 1.00 0.00 C ATOM 356 CG LEU A 22 15.402 16.605 -0.227 1.00 0.00 C ATOM 357 CD1 LEU A 22 16.323 17.413 -1.140 1.00 0.00 C ATOM 358 CD2 LEU A 22 15.865 15.152 -0.300 1.00 0.00 C ATOM 0 H LEU A 22 13.024 17.698 1.477 1.00 0.00 H new ATOM 0 HA LEU A 22 14.705 15.450 2.252 1.00 0.00 H new ATOM 0 HB2 LEU A 22 15.238 18.253 1.145 1.00 0.00 H new ATOM 0 HB3 LEU A 22 16.516 17.121 1.539 1.00 0.00 H new ATOM 0 HG LEU A 22 14.356 16.651 -0.530 1.00 0.00 H new ATOM 0 HD11 LEU A 22 16.277 17.010 -2.152 1.00 0.00 H new ATOM 0 HD12 LEU A 22 16.003 18.455 -1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 22 17.347 17.351 -0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 22 15.784 14.795 -1.327 1.00 0.00 H new ATOM 0 HD22 LEU A 22 16.903 15.084 0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 22 15.240 14.538 0.348 1.00 0.00 H new ATOM 370 N GLU A 23 14.331 18.115 4.118 1.00 0.00 N ATOM 371 CA GLU A 23 14.666 18.767 5.387 1.00 0.00 C ATOM 372 C GLU A 23 13.501 19.605 5.936 1.00 0.00 C ATOM 373 O GLU A 23 12.795 20.257 5.166 1.00 0.00 O ATOM 374 CB GLU A 23 15.918 19.639 5.172 1.00 0.00 C ATOM 375 CG GLU A 23 16.411 20.368 6.429 1.00 0.00 C ATOM 376 CD GLU A 23 17.732 21.119 6.191 1.00 0.00 C ATOM 377 OE1 GLU A 23 17.953 21.653 5.078 1.00 0.00 O ATOM 378 OE2 GLU A 23 18.546 21.211 7.135 1.00 0.00 O1- ATOM 0 H GLU A 23 13.556 18.561 3.627 1.00 0.00 H new ATOM 0 HA GLU A 23 14.867 17.999 6.134 1.00 0.00 H new ATOM 0 HB2 GLU A 23 16.723 19.009 4.794 1.00 0.00 H new ATOM 0 HB3 GLU A 23 15.702 20.378 4.400 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.649 21.074 6.758 1.00 0.00 H new ATOM 0 HG3 GLU A 23 16.546 19.646 7.235 1.00 0.00 H new ATOM 385 N VAL A 24 13.351 19.650 7.264 1.00 0.00 N ATOM 386 CA VAL A 24 12.479 20.594 7.990 1.00 0.00 C ATOM 387 C VAL A 24 13.219 21.204 9.186 1.00 0.00 C ATOM 388 O VAL A 24 14.053 20.539 9.806 1.00 0.00 O ATOM 389 CB VAL A 24 11.146 19.961 8.441 1.00 0.00 C ATOM 390 CG1 VAL A 24 10.421 19.224 7.305 1.00 0.00 C ATOM 391 CG2 VAL A 24 11.284 18.963 9.598 1.00 0.00 C ATOM 0 H VAL A 24 13.846 19.013 7.887 1.00 0.00 H new ATOM 0 HA VAL A 24 12.224 21.385 7.285 1.00 0.00 H new ATOM 0 HB VAL A 24 10.569 20.824 8.774 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.490 18.800 7.682 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.200 19.924 6.499 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.057 18.424 6.926 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.302 18.564 9.854 1.00 0.00 H new ATOM 0 HG22 VAL A 24 11.940 18.146 9.298 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.708 19.468 10.466 1.00 0.00 H new ATOM 401 N ARG A 25 12.900 22.456 9.551 1.00 0.00 N ATOM 402 CA ARG A 25 13.453 23.159 10.729 1.00 0.00 C ATOM 403 C ARG A 25 12.376 23.970 11.455 1.00 0.00 C ATOM 404 O ARG A 25 11.600 24.669 10.805 1.00 0.00 O ATOM 405 CB ARG A 25 14.652 24.074 10.389 1.00 0.00 C ATOM 406 CG ARG A 25 15.546 23.700 9.192 1.00 0.00 C ATOM 407 CD ARG A 25 14.997 24.283 7.880 1.00 0.00 C ATOM 408 NE ARG A 25 15.858 23.968 6.722 1.00 0.00 N ATOM 409 CZ ARG A 25 15.612 24.315 5.469 1.00 0.00 C ATOM 410 NH1 ARG A 25 14.608 25.085 5.161 1.00 0.00 N1+ ATOM 411 NH2 ARG A 25 16.354 23.885 4.497 1.00 0.00 N ATOM 0 H ARG A 25 12.235 23.024 9.026 1.00 0.00 H new ATOM 0 HA ARG A 25 13.820 22.373 11.389 1.00 0.00 H new ATOM 0 HB2 ARG A 25 14.264 25.077 10.212 1.00 0.00 H new ATOM 0 HB3 ARG A 25 15.288 24.130 11.273 1.00 0.00 H new ATOM 0 HG2 ARG A 25 16.557 24.070 9.361 1.00 0.00 H new ATOM 0 HG3 ARG A 25 15.613 22.615 9.110 1.00 0.00 H new ATOM 0 HD2 ARG A 25 13.995 23.891 7.702 1.00 0.00 H new ATOM 0 HD3 ARG A 25 14.904 25.365 7.977 1.00 0.00 H new ATOM 0 HE ARG A 25 16.712 23.440 6.903 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.990 25.435 5.893 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.439 25.338 4.187 1.00 0.00 H new ATOM 0 HH21 ARG A 25 17.143 23.268 4.692 1.00 0.00 H new ATOM 0 HH22 ARG A 25 16.149 24.163 3.537 1.00 0.00 H new ATOM 425 N ALA A 26 12.365 23.923 12.782 1.00 0.00 N ATOM 426 CA ALA A 26 11.544 24.751 13.662 1.00 0.00 C ATOM 427 C ALA A 26 12.391 25.918 14.197 1.00 0.00 C ATOM 428 O ALA A 26 13.421 25.703 14.844 1.00 0.00 O ATOM 429 CB ALA A 26 10.971 23.873 14.782 1.00 0.00 C ATOM 0 H ALA A 26 12.957 23.275 13.301 1.00 0.00 H new ATOM 0 HA ALA A 26 10.703 25.184 13.121 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.356 24.483 15.444 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.361 23.081 14.347 1.00 0.00 H new ATOM 0 HB3 ALA A 26 11.788 23.430 15.351 1.00 0.00 H new ATOM 464 N ALA A 30 8.084 29.427 13.970 1.00 0.00 N ATOM 465 CA ALA A 30 7.544 28.886 12.721 1.00 0.00 C ATOM 466 C ALA A 30 8.230 27.553 12.345 1.00 0.00 C ATOM 467 O ALA A 30 9.280 27.217 12.897 1.00 0.00 O ATOM 468 CB ALA A 30 7.745 29.943 11.622 1.00 0.00 C ATOM 0 HA ALA A 30 6.483 28.667 12.839 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.351 29.566 10.678 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.218 30.857 11.896 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.808 30.156 11.512 1.00 0.00 H new ATOM 474 N VAL A 31 7.672 26.820 11.375 1.00 0.00 N ATOM 475 CA VAL A 31 8.365 25.685 10.722 1.00 0.00 C ATOM 476 C VAL A 31 8.592 25.941 9.230 1.00 0.00 C ATOM 477 O VAL A 31 7.663 26.322 8.521 1.00 0.00 O ATOM 478 CB VAL A 31 7.661 24.333 10.969 1.00 0.00 C ATOM 479 CG1 VAL A 31 8.431 23.160 10.336 1.00 0.00 C ATOM 480 CG2 VAL A 31 7.551 24.035 12.467 1.00 0.00 C ATOM 0 H VAL A 31 6.732 26.989 11.016 1.00 0.00 H new ATOM 0 HA VAL A 31 9.345 25.612 11.194 1.00 0.00 H new ATOM 0 HB VAL A 31 6.674 24.423 10.515 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.901 22.228 10.534 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.507 23.313 9.259 1.00 0.00 H new ATOM 0 HG13 VAL A 31 9.431 23.107 10.766 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.051 23.077 12.612 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.549 23.993 12.904 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.975 24.822 12.953 1.00 0.00 H new ATOM 490 N ARG A 32 9.825 25.711 8.759 1.00 0.00 N ATOM 491 CA ARG A 32 10.226 25.694 7.338 1.00 0.00 C ATOM 492 C ARG A 32 10.458 24.265 6.841 1.00 0.00 C ATOM 493 O ARG A 32 10.911 23.413 7.608 1.00 0.00 O ATOM 494 CB ARG A 32 11.507 26.518 7.135 1.00 0.00 C ATOM 495 CG ARG A 32 11.250 28.027 7.176 1.00 0.00 C ATOM 496 CD ARG A 32 12.540 28.844 7.065 1.00 0.00 C ATOM 497 NE ARG A 32 13.284 28.577 5.810 1.00 0.00 N ATOM 498 CZ ARG A 32 14.464 29.074 5.480 1.00 0.00 C ATOM 499 NH1 ARG A 32 15.097 29.930 6.232 1.00 0.00 N1+ ATOM 500 NH2 ARG A 32 15.035 28.711 4.371 1.00 0.00 N ATOM 0 H ARG A 32 10.609 25.523 9.384 1.00 0.00 H new ATOM 0 HA ARG A 32 9.412 26.134 6.762 1.00 0.00 H new ATOM 0 HB2 ARG A 32 12.230 26.255 7.908 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.955 26.256 6.177 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.579 28.300 6.362 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.742 28.281 8.106 1.00 0.00 H new ATOM 0 HD2 ARG A 32 12.298 29.905 7.120 1.00 0.00 H new ATOM 0 HD3 ARG A 32 13.181 28.619 7.917 1.00 0.00 H new ATOM 0 HE ARG A 32 12.843 27.950 5.137 1.00 0.00 H new ATOM 0 HH11 ARG A 32 14.683 30.240 7.111 1.00 0.00 H new ATOM 0 HH12 ARG A 32 16.006 30.290 5.941 1.00 0.00 H new ATOM 0 HH21 ARG A 32 14.573 28.042 3.755 1.00 0.00 H new ATOM 0 HH22 ARG A 32 15.945 29.095 4.117 1.00 0.00 H new ATOM 514 N VAL A 33 10.206 24.015 5.555 1.00 0.00 N ATOM 515 CA VAL A 33 10.391 22.709 4.882 1.00 0.00 C ATOM 516 C VAL A 33 11.037 22.880 3.498 1.00 0.00 C ATOM 517 O VAL A 33 10.833 23.907 2.853 1.00 0.00 O ATOM 518 CB VAL A 33 9.067 21.907 4.806 1.00 0.00 C ATOM 519 CG1 VAL A 33 8.280 21.884 6.124 1.00 0.00 C ATOM 520 CG2 VAL A 33 8.111 22.433 3.731 1.00 0.00 C ATOM 0 H VAL A 33 9.855 24.735 4.923 1.00 0.00 H new ATOM 0 HA VAL A 33 11.079 22.123 5.492 1.00 0.00 H new ATOM 0 HB VAL A 33 9.403 20.900 4.561 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.366 21.304 5.992 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.890 21.428 6.904 1.00 0.00 H new ATOM 0 HG13 VAL A 33 8.024 22.903 6.413 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.202 21.831 3.726 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.858 23.471 3.946 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.592 22.372 2.755 1.00 0.00 H new ATOM 530 N THR A 34 11.782 21.876 3.030 1.00 0.00 N ATOM 531 CA THR A 34 12.516 21.877 1.744 1.00 0.00 C ATOM 532 C THR A 34 12.320 20.573 0.971 1.00 0.00 C ATOM 533 O THR A 34 12.514 19.492 1.527 1.00 0.00 O ATOM 534 CB THR A 34 14.027 22.086 1.968 1.00 0.00 C ATOM 535 OG1 THR A 34 14.254 23.300 2.639 1.00 0.00 O ATOM 536 CG2 THR A 34 14.851 22.138 0.678 1.00 0.00 C ATOM 0 H THR A 34 11.901 21.005 3.548 1.00 0.00 H new ATOM 0 HA THR A 34 12.107 22.702 1.161 1.00 0.00 H new ATOM 0 HB THR A 34 14.346 21.220 2.548 1.00 0.00 H new ATOM 0 HG1 THR A 34 14.815 23.881 2.084 1.00 0.00 H new ATOM 0 HG21 THR A 34 15.902 22.287 0.924 1.00 0.00 H new ATOM 0 HG22 THR A 34 14.735 21.201 0.134 1.00 0.00 H new ATOM 0 HG23 THR A 34 14.503 22.963 0.057 1.00 0.00 H new ATOM 544 N THR A 35 11.975 20.654 -0.313 1.00 0.00 N ATOM 545 CA THR A 35 11.759 19.494 -1.211 1.00 0.00 C ATOM 546 C THR A 35 12.920 19.269 -2.189 1.00 0.00 C ATOM 547 O THR A 35 13.779 20.135 -2.388 1.00 0.00 O ATOM 548 CB THR A 35 10.452 19.632 -2.014 1.00 0.00 C ATOM 549 OG1 THR A 35 10.554 20.683 -2.949 1.00 0.00 O ATOM 550 CG2 THR A 35 9.222 19.881 -1.141 1.00 0.00 C ATOM 0 H THR A 35 11.831 21.548 -0.782 1.00 0.00 H new ATOM 0 HA THR A 35 11.695 18.629 -0.551 1.00 0.00 H new ATOM 0 HB THR A 35 10.316 18.674 -2.517 1.00 0.00 H new ATOM 0 HG1 THR A 35 10.790 21.513 -2.484 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.338 19.968 -1.773 1.00 0.00 H new ATOM 0 HG22 THR A 35 9.093 19.049 -0.449 1.00 0.00 H new ATOM 0 HG23 THR A 35 9.357 20.804 -0.577 1.00 0.00 H new ATOM 558 N LEU A 36 12.939 18.104 -2.854 1.00 0.00 N ATOM 559 CA LEU A 36 13.904 17.772 -3.918 1.00 0.00 C ATOM 560 C LEU A 36 13.813 18.666 -5.174 1.00 0.00 C ATOM 561 O LEU A 36 14.724 18.646 -6.003 1.00 0.00 O ATOM 562 CB LEU A 36 13.788 16.274 -4.273 1.00 0.00 C ATOM 563 CG LEU A 36 12.662 15.882 -5.261 1.00 0.00 C ATOM 564 CD1 LEU A 36 12.742 14.387 -5.581 1.00 0.00 C ATOM 565 CD2 LEU A 36 11.271 16.171 -4.704 1.00 0.00 C ATOM 0 H LEU A 36 12.275 17.353 -2.666 1.00 0.00 H new ATOM 0 HA LEU A 36 14.895 17.981 -3.514 1.00 0.00 H new ATOM 0 HB2 LEU A 36 14.739 15.949 -4.694 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.641 15.715 -3.349 1.00 0.00 H new ATOM 0 HG LEU A 36 12.811 16.485 -6.157 1.00 0.00 H new ATOM 0 HD11 LEU A 36 11.946 14.121 -6.277 1.00 0.00 H new ATOM 0 HD12 LEU A 36 13.708 14.163 -6.032 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.628 13.812 -4.662 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.518 15.878 -5.436 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.123 15.605 -3.784 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.177 17.236 -4.494 1.00 0.00 H new ATOM 577 N PHE A 37 12.742 19.456 -5.321 1.00 0.00 N ATOM 578 CA PHE A 37 12.576 20.440 -6.399 1.00 0.00 C ATOM 579 C PHE A 37 13.349 21.759 -6.150 1.00 0.00 C ATOM 580 O PHE A 37 13.225 22.706 -6.927 1.00 0.00 O ATOM 581 CB PHE A 37 11.073 20.715 -6.603 1.00 0.00 C ATOM 582 CG PHE A 37 10.208 19.473 -6.761 1.00 0.00 C ATOM 583 CD1 PHE A 37 10.422 18.593 -7.840 1.00 0.00 C ATOM 584 CD2 PHE A 37 9.191 19.192 -5.828 1.00 0.00 C ATOM 585 CE1 PHE A 37 9.620 17.443 -7.991 1.00 0.00 C ATOM 586 CE2 PHE A 37 8.395 18.041 -5.977 1.00 0.00 C ATOM 587 CZ PHE A 37 8.605 17.164 -7.055 1.00 0.00 C ATOM 0 H PHE A 37 11.949 19.429 -4.680 1.00 0.00 H new ATOM 0 HA PHE A 37 13.007 20.012 -7.304 1.00 0.00 H new ATOM 0 HB2 PHE A 37 10.705 21.290 -5.753 1.00 0.00 H new ATOM 0 HB3 PHE A 37 10.950 21.340 -7.487 1.00 0.00 H new ATOM 0 HD1 PHE A 37 11.204 18.800 -8.555 1.00 0.00 H new ATOM 0 HD2 PHE A 37 9.022 19.861 -4.997 1.00 0.00 H new ATOM 0 HE1 PHE A 37 9.784 16.776 -8.824 1.00 0.00 H new ATOM 0 HE2 PHE A 37 7.617 17.830 -5.258 1.00 0.00 H new ATOM 0 HZ PHE A 37 7.992 16.282 -7.165 1.00 0.00 H new ATOM 597 N ASP A 38 14.117 21.844 -5.053 1.00 0.00 N ATOM 598 CA ASP A 38 14.700 23.065 -4.466 1.00 0.00 C ATOM 599 C ASP A 38 13.652 24.107 -4.018 1.00 0.00 C ATOM 600 O ASP A 38 13.997 25.240 -3.675 1.00 0.00 O ATOM 601 CB ASP A 38 15.814 23.669 -5.346 1.00 0.00 C ATOM 602 CG ASP A 38 16.904 22.672 -5.786 1.00 0.00 C ATOM 603 OD1 ASP A 38 17.246 21.730 -5.029 1.00 0.00 O ATOM 604 OD2 ASP A 38 17.471 22.856 -6.893 1.00 0.00 O1- ATOM 0 H ASP A 38 14.364 21.012 -4.517 1.00 0.00 H new ATOM 0 HA ASP A 38 15.179 22.740 -3.542 1.00 0.00 H new ATOM 0 HB2 ASP A 38 15.359 24.104 -6.236 1.00 0.00 H new ATOM 0 HB3 ASP A 38 16.287 24.485 -4.799 1.00 0.00 H new ATOM 609 N GLU A 39 12.369 23.736 -3.981 1.00 0.00 N ATOM 610 CA GLU A 39 11.277 24.562 -3.459 1.00 0.00 C ATOM 611 C GLU A 39 11.198 24.492 -1.921 1.00 0.00 C ATOM 612 O GLU A 39 11.410 23.434 -1.319 1.00 0.00 O ATOM 613 CB GLU A 39 9.949 24.137 -4.112 1.00 0.00 C ATOM 614 CG GLU A 39 8.698 24.936 -3.717 1.00 0.00 C ATOM 615 CD GLU A 39 8.723 26.405 -4.191 1.00 0.00 C ATOM 616 OE1 GLU A 39 9.592 27.193 -3.738 1.00 0.00 O ATOM 617 OE2 GLU A 39 7.851 26.792 -5.008 1.00 0.00 O1- ATOM 0 H GLU A 39 12.053 22.828 -4.323 1.00 0.00 H new ATOM 0 HA GLU A 39 11.475 25.603 -3.715 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.066 24.201 -5.194 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.772 23.088 -3.872 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.818 24.445 -4.132 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.592 24.915 -2.632 1.00 0.00 H new ATOM 624 N GLU A 40 10.853 25.617 -1.290 1.00 0.00 N ATOM 625 CA GLU A 40 10.620 25.729 0.155 1.00 0.00 C ATOM 626 C GLU A 40 9.245 26.327 0.486 1.00 0.00 C ATOM 627 O GLU A 40 8.697 27.146 -0.257 1.00 0.00 O ATOM 628 CB GLU A 40 11.726 26.546 0.853 1.00 0.00 C ATOM 629 CG GLU A 40 13.098 25.871 0.753 1.00 0.00 C ATOM 630 CD GLU A 40 14.139 26.521 1.685 1.00 0.00 C ATOM 631 OE1 GLU A 40 13.910 26.613 2.918 1.00 0.00 O ATOM 632 OE2 GLU A 40 15.212 26.950 1.197 1.00 0.00 O1- ATOM 0 H GLU A 40 10.724 26.501 -1.783 1.00 0.00 H new ATOM 0 HA GLU A 40 10.644 24.709 0.538 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.778 27.539 0.406 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.466 26.683 1.903 1.00 0.00 H new ATOM 0 HG2 GLU A 40 13.000 24.815 1.003 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.452 25.924 -0.276 1.00 0.00 H new ATOM 639 N HIS A 41 8.728 25.947 1.657 1.00 0.00 N ATOM 640 CA HIS A 41 7.493 26.474 2.254 1.00 0.00 C ATOM 641 C HIS A 41 7.707 26.783 3.740 1.00 0.00 C ATOM 642 O HIS A 41 8.592 26.205 4.380 1.00 0.00 O ATOM 643 CB HIS A 41 6.321 25.501 2.041 1.00 0.00 C ATOM 644 CG HIS A 41 6.076 25.111 0.599 1.00 0.00 C ATOM 645 ND1 HIS A 41 5.458 25.912 -0.365 1.00 0.00 N ATOM 646 CD2 HIS A 41 6.421 23.918 0.038 1.00 0.00 C ATOM 647 CE1 HIS A 41 5.458 25.182 -1.498 1.00 0.00 C ATOM 648 NE2 HIS A 41 6.030 23.981 -1.283 1.00 0.00 N ATOM 0 H HIS A 41 9.173 25.237 2.239 1.00 0.00 H new ATOM 0 HA HIS A 41 7.235 27.407 1.752 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.507 24.597 2.621 1.00 0.00 H new ATOM 0 HB3 HIS A 41 5.413 25.954 2.440 1.00 0.00 H new ATOM 0 HD2 HIS A 41 6.905 23.087 0.530 1.00 0.00 H new ATOM 0 HE1 HIS A 41 5.056 25.513 -2.444 1.00 0.00 H new ATOM 0 HE2 HIS A 41 6.153 23.245 -1.978 1.00 0.00 H new ATOM 656 N ALA A 42 6.900 27.692 4.298 1.00 0.00 N ATOM 657 CA ALA A 42 7.018 28.170 5.677 1.00 0.00 C ATOM 658 C ALA A 42 5.640 28.379 6.334 1.00 0.00 C ATOM 659 O ALA A 42 4.702 28.850 5.688 1.00 0.00 O ATOM 660 CB ALA A 42 7.845 29.459 5.686 1.00 0.00 C ATOM 0 H ALA A 42 6.129 28.125 3.790 1.00 0.00 H new ATOM 0 HA ALA A 42 7.526 27.410 6.272 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.939 29.824 6.709 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.836 29.258 5.280 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.349 30.214 5.076 1.00 0.00 H new ATOM 666 N PHE A 43 5.539 28.044 7.627 1.00 0.00 N ATOM 667 CA PHE A 43 4.283 27.963 8.376 1.00 0.00 C ATOM 668 C PHE A 43 4.428 28.577 9.785 1.00 0.00 C ATOM 669 O PHE A 43 4.885 27.898 10.714 1.00 0.00 O ATOM 670 CB PHE A 43 3.830 26.495 8.418 1.00 0.00 C ATOM 671 CG PHE A 43 3.679 25.850 7.054 1.00 0.00 C ATOM 672 CD1 PHE A 43 4.713 25.059 6.516 1.00 0.00 C ATOM 673 CD2 PHE A 43 2.520 26.089 6.290 1.00 0.00 C ATOM 674 CE1 PHE A 43 4.602 24.525 5.220 1.00 0.00 C ATOM 675 CE2 PHE A 43 2.402 25.551 4.996 1.00 0.00 C ATOM 676 CZ PHE A 43 3.443 24.775 4.458 1.00 0.00 C ATOM 0 H PHE A 43 6.355 27.816 8.195 1.00 0.00 H new ATOM 0 HA PHE A 43 3.514 28.551 7.874 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.550 25.921 9.001 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.876 26.436 8.943 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.598 24.861 7.103 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.719 26.687 6.699 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.402 23.926 4.810 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.510 25.734 4.415 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.355 24.370 3.461 1.00 0.00 H new ATOM 686 N PRO A 44 4.082 29.871 9.958 1.00 0.00 N ATOM 687 CA PRO A 44 4.120 30.552 11.253 1.00 0.00 C ATOM 688 C PRO A 44 3.165 29.955 12.295 1.00 0.00 C ATOM 689 O PRO A 44 2.057 29.518 11.968 1.00 0.00 O ATOM 690 CB PRO A 44 3.795 32.024 10.969 1.00 0.00 C ATOM 691 CG PRO A 44 4.197 32.194 9.507 1.00 0.00 C ATOM 692 CD PRO A 44 3.809 30.845 8.905 1.00 0.00 C ATOM 0 HA PRO A 44 5.106 30.431 11.701 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.738 32.240 11.124 1.00 0.00 H new ATOM 0 HB3 PRO A 44 4.356 32.693 11.621 1.00 0.00 H new ATOM 0 HG2 PRO A 44 3.666 33.019 9.032 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.263 32.396 9.399 1.00 0.00 H new ATOM 0 HD2 PRO A 44 2.758 30.829 8.615 1.00 0.00 H new ATOM 0 HD3 PRO A 44 4.390 30.631 8.008 1.00 0.00 H new ATOM 700 N GLY A 45 3.579 29.972 13.563 1.00 0.00 N ATOM 701 CA GLY A 45 2.781 29.535 14.716 1.00 0.00 C ATOM 702 C GLY A 45 2.833 28.026 14.994 1.00 0.00 C ATOM 703 O GLY A 45 2.122 27.544 15.879 1.00 0.00 O ATOM 0 H GLY A 45 4.508 30.300 13.827 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.126 30.067 15.603 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.743 29.826 14.554 1.00 0.00 H new ATOM 707 N LEU A 46 3.655 27.275 14.255 1.00 0.00 N ATOM 708 CA LEU A 46 3.847 25.830 14.408 1.00 0.00 C ATOM 709 C LEU A 46 5.206 25.461 15.027 1.00 0.00 C ATOM 710 O LEU A 46 6.168 26.235 14.986 1.00 0.00 O ATOM 711 CB LEU A 46 3.665 25.117 13.054 1.00 0.00 C ATOM 712 CG LEU A 46 2.312 25.342 12.356 1.00 0.00 C ATOM 713 CD1 LEU A 46 2.268 24.494 11.090 1.00 0.00 C ATOM 714 CD2 LEU A 46 1.106 24.953 13.210 1.00 0.00 C ATOM 0 H LEU A 46 4.225 27.671 13.507 1.00 0.00 H new ATOM 0 HA LEU A 46 3.083 25.489 15.107 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.458 25.445 12.382 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.800 24.046 13.207 1.00 0.00 H new ATOM 0 HG LEU A 46 2.244 26.411 12.153 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.314 24.644 10.585 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.080 24.789 10.426 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.378 23.442 11.353 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.189 25.140 12.651 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.167 23.895 13.465 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.101 25.546 14.124 1.00 0.00 H new ATOM 726 N ALA A 47 5.279 24.228 15.529 1.00 0.00 N ATOM 727 CA ALA A 47 6.503 23.506 15.872 1.00 0.00 C ATOM 728 C ALA A 47 6.383 22.019 15.478 1.00 0.00 C ATOM 729 O ALA A 47 5.279 21.505 15.283 1.00 0.00 O ATOM 730 CB ALA A 47 6.802 23.683 17.369 1.00 0.00 C ATOM 0 H ALA A 47 4.441 23.678 15.717 1.00 0.00 H new ATOM 0 HA ALA A 47 7.341 23.918 15.309 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.715 23.144 17.624 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.932 24.742 17.591 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.972 23.288 17.955 1.00 0.00 H new ATOM 736 N ILE A 48 7.514 21.317 15.365 1.00 0.00 N ATOM 737 CA ILE A 48 7.535 19.866 15.099 1.00 0.00 C ATOM 738 C ILE A 48 7.123 19.132 16.386 1.00 0.00 C ATOM 739 O ILE A 48 7.771 19.267 17.423 1.00 0.00 O ATOM 740 CB ILE A 48 8.915 19.398 14.575 1.00 0.00 C ATOM 741 CG1 ILE A 48 9.362 20.161 13.302 1.00 0.00 C ATOM 742 CG2 ILE A 48 8.886 17.888 14.275 1.00 0.00 C ATOM 743 CD1 ILE A 48 10.886 20.179 13.130 1.00 0.00 C ATOM 0 H ILE A 48 8.441 21.732 15.454 1.00 0.00 H new ATOM 0 HA ILE A 48 6.825 19.628 14.307 1.00 0.00 H new ATOM 0 HB ILE A 48 9.637 19.614 15.362 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.907 19.698 12.427 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.993 21.186 13.349 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.862 17.571 13.907 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.646 17.340 15.187 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.129 17.682 13.518 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.143 20.726 12.223 1.00 0.00 H new ATOM 0 HD12 ILE A 48 11.344 20.667 13.990 1.00 0.00 H new ATOM 0 HD13 ILE A 48 11.256 19.156 13.054 1.00 0.00 H new ATOM 755 N GLY A 49 6.023 18.372 16.331 1.00 0.00 N ATOM 756 CA GLY A 49 5.460 17.653 17.479 1.00 0.00 C ATOM 757 C GLY A 49 5.832 16.172 17.563 1.00 0.00 C ATOM 758 O GLY A 49 5.985 15.654 18.669 1.00 0.00 O ATOM 0 H GLY A 49 5.490 18.237 15.472 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.788 18.147 18.394 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.374 17.737 17.444 1.00 0.00 H new ATOM 762 N ARG A 50 5.970 15.480 16.427 1.00 0.00 N ATOM 763 CA ARG A 50 6.212 14.027 16.369 1.00 0.00 C ATOM 764 C ARG A 50 6.870 13.627 15.046 1.00 0.00 C ATOM 765 O ARG A 50 6.561 14.197 13.996 1.00 0.00 O ATOM 766 CB ARG A 50 4.874 13.285 16.610 1.00 0.00 C ATOM 767 CG ARG A 50 5.085 11.873 17.192 1.00 0.00 C ATOM 768 CD ARG A 50 3.780 11.086 17.404 1.00 0.00 C ATOM 769 NE ARG A 50 3.107 10.760 16.124 1.00 0.00 N ATOM 770 CZ ARG A 50 3.164 9.625 15.439 1.00 0.00 C ATOM 771 NH1 ARG A 50 3.729 8.547 15.888 1.00 0.00 N1+ ATOM 772 NH2 ARG A 50 2.655 9.525 14.244 1.00 0.00 N ATOM 0 H ARG A 50 5.917 15.916 15.507 1.00 0.00 H new ATOM 0 HA ARG A 50 6.913 13.740 17.153 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.255 13.868 17.292 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.328 13.210 15.670 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.734 11.308 16.523 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.606 11.958 18.146 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.998 10.164 17.943 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.104 11.669 18.030 1.00 0.00 H new ATOM 0 HE ARG A 50 2.530 11.498 15.721 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.160 8.544 16.813 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.743 7.702 15.316 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.200 10.330 13.815 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.712 8.641 13.738 1.00 0.00 H new ATOM 786 N VAL A 51 7.768 12.650 15.094 1.00 0.00 N ATOM 787 CA VAL A 51 8.450 12.072 13.922 1.00 0.00 C ATOM 788 C VAL A 51 8.391 10.550 14.030 1.00 0.00 C ATOM 789 O VAL A 51 8.796 9.997 15.051 1.00 0.00 O ATOM 790 CB VAL A 51 9.903 12.576 13.798 1.00 0.00 C ATOM 791 CG1 VAL A 51 10.552 12.042 12.516 1.00 0.00 C ATOM 792 CG2 VAL A 51 9.997 14.106 13.770 1.00 0.00 C ATOM 0 H VAL A 51 8.057 12.219 15.972 1.00 0.00 H new ATOM 0 HA VAL A 51 7.941 12.394 13.014 1.00 0.00 H new ATOM 0 HB VAL A 51 10.424 12.208 14.681 1.00 0.00 H new ATOM 0 HG11 VAL A 51 11.576 12.409 12.447 1.00 0.00 H new ATOM 0 HG12 VAL A 51 10.557 10.952 12.538 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.985 12.385 11.651 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.042 14.405 13.682 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.437 14.489 12.917 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.580 14.513 14.691 1.00 0.00 H new ATOM 802 N ASP A 52 7.883 9.874 12.999 1.00 0.00 N ATOM 803 CA ASP A 52 7.534 8.447 13.029 1.00 0.00 C ATOM 804 C ASP A 52 8.050 7.731 11.771 1.00 0.00 C ATOM 805 O ASP A 52 7.444 7.779 10.696 1.00 0.00 O ATOM 806 CB ASP A 52 6.013 8.337 13.225 1.00 0.00 C ATOM 807 CG ASP A 52 5.503 6.905 13.452 1.00 0.00 C ATOM 808 OD1 ASP A 52 4.312 6.768 13.824 1.00 0.00 O ATOM 809 OD2 ASP A 52 6.272 5.927 13.305 1.00 0.00 O1- ATOM 0 H ASP A 52 7.697 10.311 12.096 1.00 0.00 H new ATOM 0 HA ASP A 52 8.021 7.939 13.862 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.724 8.952 14.077 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.515 8.752 12.349 1.00 0.00 H new ATOM 814 N LEU A 53 9.213 7.090 11.910 1.00 0.00 N ATOM 815 CA LEU A 53 10.009 6.528 10.813 1.00 0.00 C ATOM 816 C LEU A 53 9.434 5.217 10.241 1.00 0.00 C ATOM 817 O LEU A 53 9.878 4.755 9.186 1.00 0.00 O ATOM 818 CB LEU A 53 11.478 6.358 11.268 1.00 0.00 C ATOM 819 CG LEU A 53 12.278 7.626 11.638 1.00 0.00 C ATOM 820 CD1 LEU A 53 12.152 8.735 10.596 1.00 0.00 C ATOM 821 CD2 LEU A 53 11.967 8.215 13.018 1.00 0.00 C ATOM 0 H LEU A 53 9.643 6.942 12.823 1.00 0.00 H new ATOM 0 HA LEU A 53 9.967 7.239 9.987 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.484 5.696 12.134 1.00 0.00 H new ATOM 0 HB3 LEU A 53 12.016 5.845 10.471 1.00 0.00 H new ATOM 0 HG LEU A 53 13.303 7.257 11.665 1.00 0.00 H new ATOM 0 HD11 LEU A 53 12.736 9.599 10.912 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.525 8.377 9.636 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.105 9.022 10.495 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.580 9.101 13.182 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.913 8.488 13.068 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.187 7.475 13.787 1.00 0.00 H new ATOM 833 N ARG A 54 8.395 4.652 10.868 1.00 0.00 N ATOM 834 CA ARG A 54 7.646 3.483 10.363 1.00 0.00 C ATOM 835 C ARG A 54 6.926 3.768 9.038 1.00 0.00 C ATOM 836 O ARG A 54 6.746 2.855 8.230 1.00 0.00 O ATOM 837 CB ARG A 54 6.620 3.033 11.416 1.00 0.00 C ATOM 838 CG ARG A 54 7.241 2.709 12.784 1.00 0.00 C ATOM 839 CD ARG A 54 6.140 2.283 13.758 1.00 0.00 C ATOM 840 NE ARG A 54 6.619 2.263 15.154 1.00 0.00 N ATOM 841 CZ ARG A 54 6.537 3.266 16.014 1.00 0.00 C ATOM 842 NH1 ARG A 54 6.159 4.464 15.687 1.00 0.00 N1+ ATOM 843 NH2 ARG A 54 6.808 3.108 17.276 1.00 0.00 N ATOM 0 H ARG A 54 8.040 4.998 11.759 1.00 0.00 H new ATOM 0 HA ARG A 54 8.373 2.693 10.174 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.874 3.818 11.542 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.096 2.151 11.047 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.978 1.912 12.681 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.767 3.581 13.172 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.296 2.967 13.673 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.776 1.293 13.485 1.00 0.00 H new ATOM 0 HE ARG A 54 7.051 1.400 15.485 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.905 4.673 14.721 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.116 5.196 16.396 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.092 2.193 17.626 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.736 3.899 17.916 1.00 0.00 H new ATOM 857 N SER A 55 6.553 5.029 8.807 1.00 0.00 N ATOM 858 CA SER A 55 5.924 5.533 7.566 1.00 0.00 C ATOM 859 C SER A 55 6.592 6.832 7.048 1.00 0.00 C ATOM 860 O SER A 55 6.140 7.434 6.067 1.00 0.00 O ATOM 861 CB SER A 55 4.416 5.696 7.816 1.00 0.00 C ATOM 862 OG SER A 55 3.681 5.924 6.620 1.00 0.00 O ATOM 0 H SER A 55 6.683 5.763 9.503 1.00 0.00 H new ATOM 0 HA SER A 55 6.074 4.809 6.765 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.035 4.800 8.306 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.254 6.528 8.501 1.00 0.00 H new ATOM 0 HG SER A 55 2.729 6.019 6.834 1.00 0.00 H new ATOM 868 N GLY A 56 7.669 7.291 7.693 1.00 0.00 N ATOM 869 CA GLY A 56 8.356 8.548 7.369 1.00 0.00 C ATOM 870 C GLY A 56 7.493 9.796 7.603 1.00 0.00 C ATOM 871 O GLY A 56 7.566 10.745 6.826 1.00 0.00 O ATOM 0 H GLY A 56 8.097 6.790 8.471 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.261 8.624 7.972 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.669 8.523 6.325 1.00 0.00 H new ATOM 875 N VAL A 57 6.619 9.780 8.610 1.00 0.00 N ATOM 876 CA VAL A 57 5.704 10.893 8.920 1.00 0.00 C ATOM 877 C VAL A 57 6.384 11.929 9.819 1.00 0.00 C ATOM 878 O VAL A 57 6.937 11.590 10.867 1.00 0.00 O ATOM 879 CB VAL A 57 4.392 10.374 9.541 1.00 0.00 C ATOM 880 CG1 VAL A 57 3.492 11.495 10.082 1.00 0.00 C ATOM 881 CG2 VAL A 57 3.578 9.620 8.479 1.00 0.00 C ATOM 0 H VAL A 57 6.521 8.987 9.244 1.00 0.00 H new ATOM 0 HA VAL A 57 5.447 11.391 7.985 1.00 0.00 H new ATOM 0 HB VAL A 57 4.688 9.731 10.370 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.586 11.062 10.505 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.025 12.048 10.855 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.226 12.172 9.270 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.652 9.255 8.922 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.345 10.293 7.654 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.159 8.776 8.106 1.00 0.00 H new ATOM 891 N ILE A 58 6.286 13.201 9.438 1.00 0.00 N ATOM 892 CA ILE A 58 6.656 14.374 10.242 1.00 0.00 C ATOM 893 C ILE A 58 5.366 15.147 10.560 1.00 0.00 C ATOM 894 O ILE A 58 4.678 15.599 9.646 1.00 0.00 O ATOM 895 CB ILE A 58 7.708 15.219 9.476 1.00 0.00 C ATOM 896 CG1 ILE A 58 9.045 14.455 9.401 1.00 0.00 C ATOM 897 CG2 ILE A 58 7.913 16.605 10.110 1.00 0.00 C ATOM 898 CD1 ILE A 58 10.076 15.092 8.463 1.00 0.00 C ATOM 0 H ILE A 58 5.930 13.459 8.518 1.00 0.00 H new ATOM 0 HA ILE A 58 7.123 14.092 11.186 1.00 0.00 H new ATOM 0 HB ILE A 58 7.329 15.382 8.467 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.471 14.390 10.402 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.850 13.435 9.071 1.00 0.00 H new ATOM 0 HG21 ILE A 58 8.658 17.160 9.539 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.970 17.151 10.103 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.257 16.488 11.138 1.00 0.00 H new ATOM 0 HD11 ILE A 58 10.988 14.495 8.466 1.00 0.00 H new ATOM 0 HD12 ILE A 58 9.672 15.132 7.451 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.302 16.102 8.803 1.00 0.00 H new ATOM 910 N SER A 59 5.017 15.285 11.840 1.00 0.00 N ATOM 911 CA SER A 59 3.757 15.886 12.299 1.00 0.00 C ATOM 912 C SER A 59 3.994 17.162 13.106 1.00 0.00 C ATOM 913 O SER A 59 4.755 17.164 14.079 1.00 0.00 O ATOM 914 CB SER A 59 2.961 14.862 13.112 1.00 0.00 C ATOM 915 OG SER A 59 1.701 15.391 13.491 1.00 0.00 O ATOM 0 H SER A 59 5.614 14.976 12.607 1.00 0.00 H new ATOM 0 HA SER A 59 3.178 16.172 11.421 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.818 13.956 12.524 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.524 14.579 14.001 1.00 0.00 H new ATOM 0 HG SER A 59 1.207 14.721 14.008 1.00 0.00 H new ATOM 921 N LEU A 60 3.357 18.256 12.689 1.00 0.00 N ATOM 922 CA LEU A 60 3.459 19.591 13.296 1.00 0.00 C ATOM 923 C LEU A 60 2.208 19.922 14.124 1.00 0.00 C ATOM 924 O LEU A 60 1.096 19.491 13.800 1.00 0.00 O ATOM 925 CB LEU A 60 3.648 20.648 12.191 1.00 0.00 C ATOM 926 CG LEU A 60 5.048 20.772 11.555 1.00 0.00 C ATOM 927 CD1 LEU A 60 5.636 19.474 11.007 1.00 0.00 C ATOM 928 CD2 LEU A 60 4.950 21.761 10.390 1.00 0.00 C ATOM 0 H LEU A 60 2.729 18.240 11.886 1.00 0.00 H new ATOM 0 HA LEU A 60 4.320 19.599 13.965 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.935 20.433 11.395 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.380 21.620 12.606 1.00 0.00 H new ATOM 0 HG LEU A 60 5.712 21.095 12.357 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.620 19.671 10.583 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.728 18.747 11.814 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.980 19.076 10.233 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.928 21.868 9.921 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.234 21.390 9.657 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.618 22.730 10.762 1.00 0.00 H new ATOM 940 N ILE A 61 2.391 20.742 15.160 1.00 0.00 N ATOM 941 CA ILE A 61 1.329 21.222 16.061 1.00 0.00 C ATOM 942 C ILE A 61 1.429 22.739 16.286 1.00 0.00 C ATOM 943 O ILE A 61 2.454 23.357 15.992 1.00 0.00 O ATOM 944 CB ILE A 61 1.281 20.412 17.387 1.00 0.00 C ATOM 945 CG1 ILE A 61 2.231 20.886 18.509 1.00 0.00 C ATOM 946 CG2 ILE A 61 1.400 18.895 17.167 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.700 21.039 18.130 1.00 0.00 C ATOM 0 H ILE A 61 3.311 21.105 15.408 1.00 0.00 H new ATOM 0 HA ILE A 61 0.372 21.044 15.570 1.00 0.00 H new ATOM 0 HB ILE A 61 0.281 20.632 17.760 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.871 21.846 18.879 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.163 20.180 19.336 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.360 18.384 18.129 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.577 18.553 16.540 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.347 18.672 16.676 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.266 21.376 18.998 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.091 20.079 17.792 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.795 21.771 17.328 1.00 0.00 H new ATOM 959 N GLU A 62 0.370 23.343 16.820 1.00 0.00 N ATOM 960 CA GLU A 62 0.360 24.756 17.228 1.00 0.00 C ATOM 961 C GLU A 62 1.288 24.972 18.441 1.00 0.00 C ATOM 962 O GLU A 62 1.059 24.406 19.515 1.00 0.00 O ATOM 963 CB GLU A 62 -1.070 25.214 17.555 1.00 0.00 C ATOM 964 CG GLU A 62 -2.015 25.184 16.345 1.00 0.00 C ATOM 965 CD GLU A 62 -3.470 25.510 16.744 1.00 0.00 C ATOM 966 OE1 GLU A 62 -3.724 26.515 17.455 1.00 0.00 O ATOM 967 OE2 GLU A 62 -4.393 24.762 16.336 1.00 0.00 O1- ATOM 0 H GLU A 62 -0.516 22.866 16.985 1.00 0.00 H new ATOM 0 HA GLU A 62 0.731 25.357 16.398 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.477 24.576 18.340 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.036 26.228 17.954 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.673 25.902 15.599 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.978 24.199 15.880 1.00 0.00 H new ATOM 974 N GLU A 63 2.332 25.792 18.291 1.00 0.00 N ATOM 975 CA GLU A 63 3.342 25.996 19.344 1.00 0.00 C ATOM 976 C GLU A 63 2.851 26.928 20.480 1.00 0.00 C ATOM 977 O GLU A 63 3.343 26.851 21.608 1.00 0.00 O ATOM 978 CB GLU A 63 4.659 26.461 18.697 1.00 0.00 C ATOM 979 CG GLU A 63 4.682 27.921 18.198 1.00 0.00 C ATOM 980 CD GLU A 63 5.176 28.943 19.237 1.00 0.00 C ATOM 981 OE1 GLU A 63 4.741 30.116 19.175 1.00 0.00 O ATOM 982 OE2 GLU A 63 6.030 28.603 20.091 1.00 0.00 O1- ATOM 0 H GLU A 63 2.504 26.332 17.443 1.00 0.00 H new ATOM 0 HA GLU A 63 3.525 25.045 19.844 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.463 26.331 19.421 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.880 25.805 17.855 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.321 27.980 17.317 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.677 28.200 17.883 1.00 0.00 H new ATOM 1115 N MET B 3 15.485 3.664 9.858 1.00 0.00 N ATOM 1116 CA MET B 3 15.386 4.355 11.152 1.00 0.00 C ATOM 1117 C MET B 3 16.320 5.570 11.230 1.00 0.00 C ATOM 1118 O MET B 3 17.368 5.621 10.583 1.00 0.00 O ATOM 1119 CB MET B 3 15.675 3.371 12.294 1.00 0.00 C ATOM 1120 CG MET B 3 14.448 2.537 12.711 1.00 0.00 C ATOM 1121 SD MET B 3 13.839 1.288 11.543 1.00 0.00 S ATOM 1122 CE MET B 3 15.321 0.260 11.393 1.00 0.00 C ATOM 0 HA MET B 3 14.368 4.731 11.252 1.00 0.00 H new ATOM 0 HB2 MET B 3 16.476 2.697 11.989 1.00 0.00 H new ATOM 0 HB3 MET B 3 16.038 3.927 13.159 1.00 0.00 H new ATOM 0 HG2 MET B 3 14.688 2.032 13.647 1.00 0.00 H new ATOM 0 HG3 MET B 3 13.630 3.226 12.922 1.00 0.00 H new ATOM 0 HE1 MET B 3 15.031 -0.767 11.170 1.00 0.00 H new ATOM 0 HE2 MET B 3 15.949 0.642 10.588 1.00 0.00 H new ATOM 0 HE3 MET B 3 15.877 0.284 12.330 1.00 0.00 H new ATOM 1132 N ALA B 4 15.935 6.557 12.041 1.00 0.00 N ATOM 1133 CA ALA B 4 16.684 7.795 12.257 1.00 0.00 C ATOM 1134 C ALA B 4 17.839 7.641 13.262 1.00 0.00 C ATOM 1135 O ALA B 4 17.941 6.644 13.991 1.00 0.00 O ATOM 1136 CB ALA B 4 15.692 8.877 12.715 1.00 0.00 C ATOM 0 H ALA B 4 15.070 6.516 12.580 1.00 0.00 H new ATOM 0 HA ALA B 4 17.159 8.079 11.318 1.00 0.00 H new ATOM 0 HB1 ALA B 4 16.226 9.812 12.883 1.00 0.00 H new ATOM 0 HB2 ALA B 4 14.934 9.025 11.946 1.00 0.00 H new ATOM 0 HB3 ALA B 4 15.212 8.562 13.641 1.00 0.00 H new ATOM 1142 N LYS B 5 18.676 8.682 13.343 1.00 0.00 N ATOM 1143 CA LYS B 5 19.596 8.936 14.464 1.00 0.00 C ATOM 1144 C LYS B 5 19.314 10.302 15.098 1.00 0.00 C ATOM 1145 O LYS B 5 19.209 11.311 14.396 1.00 0.00 O ATOM 1146 CB LYS B 5 21.064 8.719 14.042 1.00 0.00 C ATOM 1147 CG LYS B 5 21.575 9.614 12.901 1.00 0.00 C ATOM 1148 CD LYS B 5 23.046 9.289 12.583 1.00 0.00 C ATOM 1149 CE LYS B 5 23.645 10.199 11.502 1.00 0.00 C ATOM 1150 NZ LYS B 5 23.156 9.880 10.139 1.00 0.00 N1+ ATOM 0 H LYS B 5 18.736 9.391 12.612 1.00 0.00 H new ATOM 0 HA LYS B 5 19.415 8.203 15.251 1.00 0.00 H new ATOM 0 HB2 LYS B 5 21.699 8.877 14.914 1.00 0.00 H new ATOM 0 HB3 LYS B 5 21.186 7.678 13.743 1.00 0.00 H new ATOM 0 HG2 LYS B 5 20.963 9.466 12.012 1.00 0.00 H new ATOM 0 HG3 LYS B 5 21.480 10.663 13.182 1.00 0.00 H new ATOM 0 HD2 LYS B 5 23.637 9.380 13.494 1.00 0.00 H new ATOM 0 HD3 LYS B 5 23.120 8.251 12.258 1.00 0.00 H new ATOM 0 HE2 LYS B 5 23.405 11.236 11.734 1.00 0.00 H new ATOM 0 HE3 LYS B 5 24.731 10.111 11.522 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 23.338 10.686 9.507 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 23.652 9.039 9.780 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 22.134 9.691 10.172 1.00 0.00 H new ATOM 1164 N VAL B 6 19.163 10.334 16.420 1.00 0.00 N ATOM 1165 CA VAL B 6 18.848 11.544 17.204 1.00 0.00 C ATOM 1166 C VAL B 6 20.124 12.106 17.840 1.00 0.00 C ATOM 1167 O VAL B 6 20.980 11.341 18.292 1.00 0.00 O ATOM 1168 CB VAL B 6 17.772 11.257 18.274 1.00 0.00 C ATOM 1169 CG1 VAL B 6 17.534 12.416 19.249 1.00 0.00 C ATOM 1170 CG2 VAL B 6 16.420 10.937 17.627 1.00 0.00 C ATOM 0 H VAL B 6 19.257 9.500 16.999 1.00 0.00 H new ATOM 0 HA VAL B 6 18.438 12.294 16.527 1.00 0.00 H new ATOM 0 HB VAL B 6 18.167 10.407 18.830 1.00 0.00 H new ATOM 0 HG11 VAL B 6 16.765 12.134 19.968 1.00 0.00 H new ATOM 0 HG12 VAL B 6 18.460 12.642 19.778 1.00 0.00 H new ATOM 0 HG13 VAL B 6 17.208 13.296 18.695 1.00 0.00 H new ATOM 0 HG21 VAL B 6 15.682 10.739 18.405 1.00 0.00 H new ATOM 0 HG22 VAL B 6 16.095 11.786 17.025 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.520 10.058 16.990 1.00 0.00 H new ATOM 1180 N VAL B 7 20.229 13.435 17.909 1.00 0.00 N ATOM 1181 CA VAL B 7 21.279 14.167 18.640 1.00 0.00 C ATOM 1182 C VAL B 7 20.688 15.315 19.465 1.00 0.00 C ATOM 1183 O VAL B 7 19.720 15.959 19.052 1.00 0.00 O ATOM 1184 CB VAL B 7 22.396 14.632 17.682 1.00 0.00 C ATOM 1185 CG1 VAL B 7 21.911 15.607 16.599 1.00 0.00 C ATOM 1186 CG2 VAL B 7 23.569 15.285 18.430 1.00 0.00 C ATOM 0 H VAL B 7 19.567 14.056 17.444 1.00 0.00 H new ATOM 0 HA VAL B 7 21.741 13.484 19.353 1.00 0.00 H new ATOM 0 HB VAL B 7 22.730 13.715 17.196 1.00 0.00 H new ATOM 0 HG11 VAL B 7 22.750 15.891 15.963 1.00 0.00 H new ATOM 0 HG12 VAL B 7 21.143 15.126 15.994 1.00 0.00 H new ATOM 0 HG13 VAL B 7 21.496 16.498 17.071 1.00 0.00 H new ATOM 0 HG21 VAL B 7 24.330 15.596 17.714 1.00 0.00 H new ATOM 0 HG22 VAL B 7 23.211 16.156 18.979 1.00 0.00 H new ATOM 0 HG23 VAL B 7 24.000 14.567 19.128 1.00 0.00 H new ATOM 1196 N LEU B 8 21.256 15.567 20.650 1.00 0.00 N ATOM 1197 CA LEU B 8 20.843 16.624 21.580 1.00 0.00 C ATOM 1198 C LEU B 8 22.026 17.189 22.384 1.00 0.00 C ATOM 1199 O LEU B 8 23.036 16.509 22.582 1.00 0.00 O ATOM 1200 CB LEU B 8 19.726 16.088 22.498 1.00 0.00 C ATOM 1201 CG LEU B 8 20.135 14.980 23.494 1.00 0.00 C ATOM 1202 CD1 LEU B 8 20.524 15.529 24.867 1.00 0.00 C ATOM 1203 CD2 LEU B 8 18.971 14.010 23.691 1.00 0.00 C ATOM 0 H LEU B 8 22.044 15.021 21.000 1.00 0.00 H new ATOM 0 HA LEU B 8 20.453 17.461 21.001 1.00 0.00 H new ATOM 0 HB2 LEU B 8 19.317 16.925 23.065 1.00 0.00 H new ATOM 0 HB3 LEU B 8 18.921 15.705 21.871 1.00 0.00 H new ATOM 0 HG LEU B 8 21.004 14.483 23.064 1.00 0.00 H new ATOM 0 HD11 LEU B 8 20.801 14.704 25.523 1.00 0.00 H new ATOM 0 HD12 LEU B 8 21.370 16.209 24.761 1.00 0.00 H new ATOM 0 HD13 LEU B 8 19.679 16.066 25.297 1.00 0.00 H new ATOM 0 HD21 LEU B 8 19.263 13.230 24.394 1.00 0.00 H new ATOM 0 HD22 LEU B 8 18.110 14.550 24.085 1.00 0.00 H new ATOM 0 HD23 LEU B 8 18.709 13.557 22.735 1.00 0.00 H new ATOM 1215 N THR B 9 21.873 18.420 22.881 1.00 0.00 N ATOM 1216 CA THR B 9 22.841 19.102 23.763 1.00 0.00 C ATOM 1217 C THR B 9 22.259 19.290 25.166 1.00 0.00 C ATOM 1218 O THR B 9 21.129 19.763 25.319 1.00 0.00 O ATOM 1219 CB THR B 9 23.289 20.459 23.179 1.00 0.00 C ATOM 1220 OG1 THR B 9 23.665 20.327 21.821 1.00 0.00 O ATOM 1221 CG2 THR B 9 24.519 21.016 23.898 1.00 0.00 C ATOM 0 H THR B 9 21.052 18.990 22.679 1.00 0.00 H new ATOM 0 HA THR B 9 23.722 18.464 23.833 1.00 0.00 H new ATOM 0 HB THR B 9 22.435 21.125 23.301 1.00 0.00 H new ATOM 0 HG1 THR B 9 23.789 21.216 21.428 1.00 0.00 H new ATOM 0 HG21 THR B 9 24.798 21.971 23.454 1.00 0.00 H new ATOM 0 HG22 THR B 9 24.289 21.160 24.954 1.00 0.00 H new ATOM 0 HG23 THR B 9 25.347 20.314 23.799 1.00 0.00 H new ATOM 1229 N LYS B 10 23.034 18.926 26.194 1.00 0.00 N ATOM 1230 CA LYS B 10 22.689 19.074 27.619 1.00 0.00 C ATOM 1231 C LYS B 10 22.917 20.506 28.128 1.00 0.00 C ATOM 1232 O LYS B 10 23.733 21.247 27.576 1.00 0.00 O ATOM 1233 CB LYS B 10 23.532 18.089 28.454 1.00 0.00 C ATOM 1234 CG LYS B 10 23.272 16.608 28.130 1.00 0.00 C ATOM 1235 CD LYS B 10 23.864 15.691 29.218 1.00 0.00 C ATOM 1236 CE LYS B 10 25.399 15.730 29.256 1.00 0.00 C ATOM 1237 NZ LYS B 10 25.918 15.237 30.560 1.00 0.00 N1+ ATOM 0 H LYS B 10 23.952 18.505 26.055 1.00 0.00 H new ATOM 0 HA LYS B 10 21.627 18.854 27.727 1.00 0.00 H new ATOM 0 HB2 LYS B 10 24.588 18.305 28.293 1.00 0.00 H new ATOM 0 HB3 LYS B 10 23.329 18.260 29.511 1.00 0.00 H new ATOM 0 HG2 LYS B 10 22.199 16.433 28.047 1.00 0.00 H new ATOM 0 HG3 LYS B 10 23.711 16.361 27.163 1.00 0.00 H new ATOM 0 HD2 LYS B 10 23.473 15.989 30.191 1.00 0.00 H new ATOM 0 HD3 LYS B 10 23.535 14.667 29.043 1.00 0.00 H new ATOM 0 HE2 LYS B 10 25.801 15.119 28.447 1.00 0.00 H new ATOM 0 HE3 LYS B 10 25.744 16.750 29.087 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 26.927 15.001 30.466 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 25.801 15.976 31.282 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 25.389 14.388 30.845 1.00 0.00 H new ATOM 1251 N ALA B 11 22.301 20.846 29.265 1.00 0.00 N ATOM 1252 CA ALA B 11 22.625 22.056 30.031 1.00 0.00 C ATOM 1253 C ALA B 11 24.090 22.073 30.540 1.00 0.00 C ATOM 1254 O ALA B 11 24.655 23.141 30.794 1.00 0.00 O ATOM 1255 CB ALA B 11 21.625 22.169 31.188 1.00 0.00 C ATOM 0 H ALA B 11 21.558 20.286 29.683 1.00 0.00 H new ATOM 0 HA ALA B 11 22.541 22.922 29.374 1.00 0.00 H new ATOM 0 HB1 ALA B 11 21.845 23.062 31.773 1.00 0.00 H new ATOM 0 HB2 ALA B 11 20.613 22.237 30.789 1.00 0.00 H new ATOM 0 HB3 ALA B 11 21.705 21.288 31.825 1.00 0.00 H new ATOM 1261 N ASP B 12 24.734 20.904 30.646 1.00 0.00 N ATOM 1262 CA ASP B 12 26.173 20.749 30.945 1.00 0.00 C ATOM 1263 C ASP B 12 27.111 21.210 29.802 1.00 0.00 C ATOM 1264 O ASP B 12 28.331 21.288 29.985 1.00 0.00 O ATOM 1265 CB ASP B 12 26.474 19.265 31.236 1.00 0.00 C ATOM 1266 CG ASP B 12 25.657 18.622 32.369 1.00 0.00 C ATOM 1267 OD1 ASP B 12 25.465 17.378 32.307 1.00 0.00 O ATOM 1268 OD2 ASP B 12 25.229 19.319 33.325 1.00 0.00 O1- ATOM 0 H ASP B 12 24.259 20.010 30.523 1.00 0.00 H new ATOM 0 HA ASP B 12 26.371 21.389 31.805 1.00 0.00 H new ATOM 0 HB2 ASP B 12 26.304 18.694 30.323 1.00 0.00 H new ATOM 0 HB3 ASP B 12 27.532 19.170 31.479 1.00 0.00 H new ATOM 1273 N GLY B 13 26.570 21.474 28.605 1.00 0.00 N ATOM 1274 CA GLY B 13 27.329 21.752 27.371 1.00 0.00 C ATOM 1275 C GLY B 13 27.834 20.504 26.628 1.00 0.00 C ATOM 1276 O GLY B 13 28.275 20.614 25.481 1.00 0.00 O ATOM 0 H GLY B 13 25.561 21.502 28.461 1.00 0.00 H new ATOM 0 HA2 GLY B 13 26.698 22.329 26.695 1.00 0.00 H new ATOM 0 HA3 GLY B 13 28.185 22.379 27.621 1.00 0.00 H new ATOM 1280 N GLY B 14 27.733 19.316 27.240 1.00 0.00 N ATOM 1281 CA GLY B 14 27.975 18.026 26.592 1.00 0.00 C ATOM 1282 C GLY B 14 26.841 17.615 25.643 1.00 0.00 C ATOM 1283 O GLY B 14 25.754 18.198 25.660 1.00 0.00 O ATOM 0 H GLY B 14 27.474 19.227 28.223 1.00 0.00 H new ATOM 0 HA2 GLY B 14 28.910 18.075 26.034 1.00 0.00 H new ATOM 0 HA3 GLY B 14 28.099 17.259 27.356 1.00 0.00 H new ATOM 1287 N ARG B 15 27.075 16.588 24.818 1.00 0.00 N ATOM 1288 CA ARG B 15 26.125 16.070 23.810 1.00 0.00 C ATOM 1289 C ARG B 15 25.889 14.563 23.922 1.00 0.00 C ATOM 1290 O ARG B 15 26.748 13.812 24.395 1.00 0.00 O ATOM 1291 CB ARG B 15 26.574 16.466 22.390 1.00 0.00 C ATOM 1292 CG ARG B 15 26.328 17.962 22.133 1.00 0.00 C ATOM 1293 CD ARG B 15 26.721 18.400 20.720 1.00 0.00 C ATOM 1294 NE ARG B 15 26.169 19.737 20.451 1.00 0.00 N ATOM 1295 CZ ARG B 15 26.608 20.667 19.628 1.00 0.00 C ATOM 1296 NH1 ARG B 15 27.667 20.509 18.883 1.00 0.00 N1+ ATOM 1297 NH2 ARG B 15 25.966 21.794 19.544 1.00 0.00 N ATOM 0 H ARG B 15 27.956 16.074 24.829 1.00 0.00 H new ATOM 0 HA ARG B 15 25.162 16.537 24.016 1.00 0.00 H new ATOM 0 HB2 ARG B 15 27.633 16.241 22.263 1.00 0.00 H new ATOM 0 HB3 ARG B 15 26.031 15.873 21.654 1.00 0.00 H new ATOM 0 HG2 ARG B 15 25.273 18.184 22.296 1.00 0.00 H new ATOM 0 HG3 ARG B 15 26.893 18.547 22.859 1.00 0.00 H new ATOM 0 HD2 ARG B 15 27.806 18.416 20.621 1.00 0.00 H new ATOM 0 HD3 ARG B 15 26.345 17.685 19.988 1.00 0.00 H new ATOM 0 HE ARG B 15 25.328 19.978 20.976 1.00 0.00 H new ATOM 0 HH11 ARG B 15 28.193 19.636 18.923 1.00 0.00 H new ATOM 0 HH12 ARG B 15 27.969 21.258 18.260 1.00 0.00 H new ATOM 0 HH21 ARG B 15 25.133 21.950 20.111 1.00 0.00 H new ATOM 0 HH22 ARG B 15 26.295 22.523 18.911 1.00 0.00 H new ATOM 1311 N VAL B 16 24.707 14.136 23.480 1.00 0.00 N ATOM 1312 CA VAL B 16 24.208 12.746 23.529 1.00 0.00 C ATOM 1313 C VAL B 16 23.612 12.362 22.170 1.00 0.00 C ATOM 1314 O VAL B 16 22.968 13.187 21.517 1.00 0.00 O ATOM 1315 CB VAL B 16 23.181 12.580 24.673 1.00 0.00 C ATOM 1316 CG1 VAL B 16 22.556 11.180 24.741 1.00 0.00 C ATOM 1317 CG2 VAL B 16 23.804 12.869 26.047 1.00 0.00 C ATOM 0 H VAL B 16 24.033 14.773 23.056 1.00 0.00 H new ATOM 0 HA VAL B 16 25.037 12.070 23.738 1.00 0.00 H new ATOM 0 HB VAL B 16 22.402 13.305 24.439 1.00 0.00 H new ATOM 0 HG11 VAL B 16 21.846 11.138 25.567 1.00 0.00 H new ATOM 0 HG12 VAL B 16 22.038 10.967 23.806 1.00 0.00 H new ATOM 0 HG13 VAL B 16 23.340 10.439 24.898 1.00 0.00 H new ATOM 0 HG21 VAL B 16 23.049 12.741 26.823 1.00 0.00 H new ATOM 0 HG22 VAL B 16 24.628 12.178 26.225 1.00 0.00 H new ATOM 0 HG23 VAL B 16 24.177 13.893 26.069 1.00 0.00 H new ATOM 1327 N GLU B 17 23.825 11.112 21.742 1.00 0.00 N ATOM 1328 CA GLU B 17 23.323 10.553 20.477 1.00 0.00 C ATOM 1329 C GLU B 17 22.614 9.202 20.681 1.00 0.00 C ATOM 1330 O GLU B 17 22.966 8.433 21.581 1.00 0.00 O ATOM 1331 CB GLU B 17 24.470 10.401 19.461 1.00 0.00 C ATOM 1332 CG GLU B 17 25.059 11.742 18.999 1.00 0.00 C ATOM 1333 CD GLU B 17 26.251 11.565 18.035 1.00 0.00 C ATOM 1334 OE1 GLU B 17 27.198 12.387 18.088 1.00 0.00 O ATOM 1335 OE2 GLU B 17 26.252 10.627 17.198 1.00 0.00 O1- ATOM 0 H GLU B 17 24.368 10.439 22.282 1.00 0.00 H new ATOM 0 HA GLU B 17 22.587 11.255 20.086 1.00 0.00 H new ATOM 0 HB2 GLU B 17 25.262 9.799 19.906 1.00 0.00 H new ATOM 0 HB3 GLU B 17 24.105 9.854 18.591 1.00 0.00 H new ATOM 0 HG2 GLU B 17 24.281 12.326 18.506 1.00 0.00 H new ATOM 0 HG3 GLU B 17 25.382 12.312 19.870 1.00 0.00 H new ATOM 1342 N ILE B 18 21.623 8.903 19.830 1.00 0.00 N ATOM 1343 CA ILE B 18 20.795 7.682 19.873 1.00 0.00 C ATOM 1344 C ILE B 18 20.613 7.139 18.449 1.00 0.00 C ATOM 1345 O ILE B 18 20.107 7.847 17.578 1.00 0.00 O ATOM 1346 CB ILE B 18 19.414 7.951 20.538 1.00 0.00 C ATOM 1347 CG1 ILE B 18 19.507 8.666 21.908 1.00 0.00 C ATOM 1348 CG2 ILE B 18 18.622 6.635 20.687 1.00 0.00 C ATOM 1349 CD1 ILE B 18 18.185 9.310 22.339 1.00 0.00 C ATOM 0 H ILE B 18 21.364 9.525 19.064 1.00 0.00 H new ATOM 0 HA ILE B 18 21.307 6.938 20.483 1.00 0.00 H new ATOM 0 HB ILE B 18 18.889 8.632 19.868 1.00 0.00 H new ATOM 0 HG12 ILE B 18 19.819 7.947 22.666 1.00 0.00 H new ATOM 0 HG13 ILE B 18 20.280 9.433 21.859 1.00 0.00 H new ATOM 0 HG21 ILE B 18 17.659 6.841 21.154 1.00 0.00 H new ATOM 0 HG22 ILE B 18 18.462 6.193 19.703 1.00 0.00 H new ATOM 0 HG23 ILE B 18 19.185 5.940 21.309 1.00 0.00 H new ATOM 0 HD11 ILE B 18 18.315 9.795 23.306 1.00 0.00 H new ATOM 0 HD12 ILE B 18 17.883 10.051 21.599 1.00 0.00 H new ATOM 0 HD13 ILE B 18 17.415 8.542 22.418 1.00 0.00 H new ATOM 1361 N GLY B 19 21.010 5.885 18.215 1.00 0.00 N ATOM 1362 CA GLY B 19 20.843 5.185 16.933 1.00 0.00 C ATOM 1363 C GLY B 19 19.577 4.318 16.848 1.00 0.00 C ATOM 1364 O GLY B 19 18.930 4.031 17.859 1.00 0.00 O ATOM 0 H GLY B 19 21.467 5.313 18.926 1.00 0.00 H new ATOM 0 HA2 GLY B 19 20.820 5.922 16.130 1.00 0.00 H new ATOM 0 HA3 GLY B 19 21.714 4.553 16.761 1.00 0.00 H new ATOM 1368 N ASP B 20 19.245 3.857 15.635 1.00 0.00 N ATOM 1369 CA ASP B 20 18.159 2.901 15.340 1.00 0.00 C ATOM 1370 C ASP B 20 16.762 3.354 15.841 1.00 0.00 C ATOM 1371 O ASP B 20 15.936 2.550 16.290 1.00 0.00 O ATOM 1372 CB ASP B 20 18.561 1.478 15.768 1.00 0.00 C ATOM 1373 CG ASP B 20 19.917 1.016 15.205 1.00 0.00 C ATOM 1374 OD1 ASP B 20 20.610 0.222 15.883 1.00 0.00 O ATOM 1375 OD2 ASP B 20 20.283 1.401 14.066 1.00 0.00 O1- ATOM 0 H ASP B 20 19.744 4.149 14.795 1.00 0.00 H new ATOM 0 HA ASP B 20 18.029 2.881 14.258 1.00 0.00 H new ATOM 0 HB2 ASP B 20 18.597 1.433 16.856 1.00 0.00 H new ATOM 0 HB3 ASP B 20 17.788 0.780 15.445 1.00 0.00 H new ATOM 1380 N VAL B 21 16.501 4.662 15.773 1.00 0.00 N ATOM 1381 CA VAL B 21 15.279 5.319 16.270 1.00 0.00 C ATOM 1382 C VAL B 21 14.084 5.081 15.343 1.00 0.00 C ATOM 1383 O VAL B 21 14.085 5.502 14.182 1.00 0.00 O ATOM 1384 CB VAL B 21 15.533 6.823 16.490 1.00 0.00 C ATOM 1385 CG1 VAL B 21 14.261 7.583 16.862 1.00 0.00 C ATOM 1386 CG2 VAL B 21 16.563 7.030 17.612 1.00 0.00 C ATOM 0 H VAL B 21 17.157 5.322 15.355 1.00 0.00 H new ATOM 0 HA VAL B 21 15.023 4.870 17.229 1.00 0.00 H new ATOM 0 HB VAL B 21 15.906 7.215 15.544 1.00 0.00 H new ATOM 0 HG11 VAL B 21 14.496 8.638 17.006 1.00 0.00 H new ATOM 0 HG12 VAL B 21 13.529 7.480 16.061 1.00 0.00 H new ATOM 0 HG13 VAL B 21 13.850 7.174 17.785 1.00 0.00 H new ATOM 0 HG21 VAL B 21 16.733 8.097 17.757 1.00 0.00 H new ATOM 0 HG22 VAL B 21 16.186 6.593 18.537 1.00 0.00 H new ATOM 0 HG23 VAL B 21 17.501 6.547 17.339 1.00 0.00 H new ATOM 1396 N LEU B 22 13.039 4.440 15.876 1.00 0.00 N ATOM 1397 CA LEU B 22 11.727 4.302 15.232 1.00 0.00 C ATOM 1398 C LEU B 22 10.865 5.568 15.364 1.00 0.00 C ATOM 1399 O LEU B 22 10.089 5.862 14.450 1.00 0.00 O ATOM 1400 CB LEU B 22 10.947 3.135 15.874 1.00 0.00 C ATOM 1401 CG LEU B 22 11.403 1.721 15.483 1.00 0.00 C ATOM 1402 CD1 LEU B 22 10.636 0.709 16.337 1.00 0.00 C ATOM 1403 CD2 LEU B 22 11.081 1.388 14.025 1.00 0.00 C ATOM 0 H LEU B 22 13.082 3.991 16.791 1.00 0.00 H new ATOM 0 HA LEU B 22 11.921 4.120 14.175 1.00 0.00 H new ATOM 0 HB2 LEU B 22 11.017 3.231 16.958 1.00 0.00 H new ATOM 0 HB3 LEU B 22 9.894 3.241 15.612 1.00 0.00 H new ATOM 0 HG LEU B 22 12.482 1.677 15.633 1.00 0.00 H new ATOM 0 HD11 LEU B 22 10.948 -0.301 16.072 1.00 0.00 H new ATOM 0 HD12 LEU B 22 10.846 0.889 17.391 1.00 0.00 H new ATOM 0 HD13 LEU B 22 9.566 0.817 16.157 1.00 0.00 H new ATOM 0 HD21 LEU B 22 11.423 0.378 13.798 1.00 0.00 H new ATOM 0 HD22 LEU B 22 10.004 1.450 13.867 1.00 0.00 H new ATOM 0 HD23 LEU B 22 11.586 2.098 13.370 1.00 0.00 H new ATOM 1415 N GLU B 23 10.943 6.298 16.486 1.00 0.00 N ATOM 1416 CA GLU B 23 10.001 7.388 16.776 1.00 0.00 C ATOM 1417 C GLU B 23 10.569 8.430 17.754 1.00 0.00 C ATOM 1418 O GLU B 23 11.316 8.088 18.673 1.00 0.00 O ATOM 1419 CB GLU B 23 8.699 6.781 17.326 1.00 0.00 C ATOM 1420 CG GLU B 23 7.514 7.758 17.341 1.00 0.00 C ATOM 1421 CD GLU B 23 6.221 7.115 17.864 1.00 0.00 C ATOM 1422 OE1 GLU B 23 5.238 7.853 18.105 1.00 0.00 O ATOM 1423 OE2 GLU B 23 6.176 5.880 18.084 1.00 0.00 O1- ATOM 0 H GLU B 23 11.649 6.153 17.208 1.00 0.00 H new ATOM 0 HA GLU B 23 9.810 7.924 15.846 1.00 0.00 H new ATOM 0 HB2 GLU B 23 8.433 5.912 16.725 1.00 0.00 H new ATOM 0 HB3 GLU B 23 8.876 6.425 18.341 1.00 0.00 H new ATOM 0 HG2 GLU B 23 7.765 8.617 17.963 1.00 0.00 H new ATOM 0 HG3 GLU B 23 7.345 8.134 16.332 1.00 0.00 H new ATOM 1430 N VAL B 24 10.164 9.691 17.576 1.00 0.00 N ATOM 1431 CA VAL B 24 10.477 10.830 18.458 1.00 0.00 C ATOM 1432 C VAL B 24 9.208 11.648 18.719 1.00 0.00 C ATOM 1433 O VAL B 24 8.415 11.860 17.798 1.00 0.00 O ATOM 1434 CB VAL B 24 11.586 11.717 17.858 1.00 0.00 C ATOM 1435 CG1 VAL B 24 11.987 12.864 18.790 1.00 0.00 C ATOM 1436 CG2 VAL B 24 12.854 10.915 17.561 1.00 0.00 C ATOM 0 H VAL B 24 9.585 9.962 16.781 1.00 0.00 H new ATOM 0 HA VAL B 24 10.849 10.440 19.405 1.00 0.00 H new ATOM 0 HB VAL B 24 11.161 12.118 16.938 1.00 0.00 H new ATOM 0 HG11 VAL B 24 12.771 13.458 18.320 1.00 0.00 H new ATOM 0 HG12 VAL B 24 11.120 13.496 18.983 1.00 0.00 H new ATOM 0 HG13 VAL B 24 12.356 12.456 19.731 1.00 0.00 H new ATOM 0 HG21 VAL B 24 13.612 11.575 17.139 1.00 0.00 H new ATOM 0 HG22 VAL B 24 13.230 10.474 18.484 1.00 0.00 H new ATOM 0 HG23 VAL B 24 12.625 10.123 16.848 1.00 0.00 H new ATOM 1446 N ARG B 25 8.999 12.098 19.961 1.00 0.00 N ATOM 1447 CA ARG B 25 7.750 12.732 20.421 1.00 0.00 C ATOM 1448 C ARG B 25 8.048 13.924 21.336 1.00 0.00 C ATOM 1449 O ARG B 25 8.773 13.762 22.315 1.00 0.00 O ATOM 1450 CB ARG B 25 6.868 11.708 21.171 1.00 0.00 C ATOM 1451 CG ARG B 25 6.840 10.292 20.571 1.00 0.00 C ATOM 1452 CD ARG B 25 5.908 9.368 21.360 1.00 0.00 C ATOM 1453 NE ARG B 25 6.058 7.978 20.907 1.00 0.00 N ATOM 1454 CZ ARG B 25 6.953 7.097 21.319 1.00 0.00 C ATOM 1455 NH1 ARG B 25 7.071 5.947 20.736 1.00 0.00 N1+ ATOM 1456 NH2 ARG B 25 7.787 7.325 22.293 1.00 0.00 N ATOM 0 H ARG B 25 9.706 12.032 20.693 1.00 0.00 H new ATOM 0 HA ARG B 25 7.213 13.090 19.543 1.00 0.00 H new ATOM 0 HB2 ARG B 25 7.217 11.640 22.201 1.00 0.00 H new ATOM 0 HB3 ARG B 25 5.848 12.090 21.205 1.00 0.00 H new ATOM 0 HG2 ARG B 25 6.512 10.342 19.533 1.00 0.00 H new ATOM 0 HG3 ARG B 25 7.848 9.877 20.567 1.00 0.00 H new ATOM 0 HD2 ARG B 25 6.134 9.436 22.424 1.00 0.00 H new ATOM 0 HD3 ARG B 25 4.874 9.689 21.232 1.00 0.00 H new ATOM 0 HE ARG B 25 5.399 7.658 20.197 1.00 0.00 H new ATOM 0 HH11 ARG B 25 6.469 5.711 19.948 1.00 0.00 H new ATOM 0 HH12 ARG B 25 7.766 5.277 21.065 1.00 0.00 H new ATOM 0 HH21 ARG B 25 7.770 8.221 22.780 1.00 0.00 H new ATOM 0 HH22 ARG B 25 8.457 6.607 22.569 1.00 0.00 H new ATOM 1470 N ALA B 26 7.470 15.090 21.067 1.00 0.00 N ATOM 1471 CA ALA B 26 7.523 16.267 21.939 1.00 0.00 C ATOM 1472 C ALA B 26 6.190 16.438 22.693 1.00 0.00 C ATOM 1473 O ALA B 26 5.131 16.588 22.078 1.00 0.00 O ATOM 1474 CB ALA B 26 7.878 17.491 21.088 1.00 0.00 C ATOM 0 H ALA B 26 6.936 15.251 20.213 1.00 0.00 H new ATOM 0 HA ALA B 26 8.294 16.144 22.700 1.00 0.00 H new ATOM 0 HB1 ALA B 26 7.921 18.376 21.723 1.00 0.00 H new ATOM 0 HB2 ALA B 26 8.848 17.336 20.615 1.00 0.00 H new ATOM 0 HB3 ALA B 26 7.118 17.633 20.320 1.00 0.00 H new ATOM 1509 N ALA B 30 9.010 18.340 27.220 1.00 0.00 N ATOM 1510 CA ALA B 30 10.052 17.320 27.120 1.00 0.00 C ATOM 1511 C ALA B 30 9.998 16.598 25.762 1.00 0.00 C ATOM 1512 O ALA B 30 8.940 16.536 25.127 1.00 0.00 O ATOM 1513 CB ALA B 30 9.852 16.329 28.278 1.00 0.00 C ATOM 0 HA ALA B 30 11.035 17.786 27.188 1.00 0.00 H new ATOM 0 HB1 ALA B 30 10.617 15.554 28.230 1.00 0.00 H new ATOM 0 HB2 ALA B 30 9.931 16.858 29.228 1.00 0.00 H new ATOM 0 HB3 ALA B 30 8.866 15.871 28.199 1.00 0.00 H new ATOM 1519 N VAL B 31 11.113 15.992 25.350 1.00 0.00 N ATOM 1520 CA VAL B 31 11.170 15.073 24.198 1.00 0.00 C ATOM 1521 C VAL B 31 11.442 13.640 24.644 1.00 0.00 C ATOM 1522 O VAL B 31 12.218 13.406 25.566 1.00 0.00 O ATOM 1523 CB VAL B 31 12.166 15.544 23.122 1.00 0.00 C ATOM 1524 CG1 VAL B 31 12.308 14.537 21.974 1.00 0.00 C ATOM 1525 CG2 VAL B 31 11.681 16.852 22.498 1.00 0.00 C ATOM 0 H VAL B 31 12.015 16.123 25.808 1.00 0.00 H new ATOM 0 HA VAL B 31 10.186 15.086 23.729 1.00 0.00 H new ATOM 0 HB VAL B 31 13.125 15.661 23.626 1.00 0.00 H new ATOM 0 HG11 VAL B 31 13.021 14.917 21.243 1.00 0.00 H new ATOM 0 HG12 VAL B 31 12.664 13.585 22.367 1.00 0.00 H new ATOM 0 HG13 VAL B 31 11.340 14.392 21.495 1.00 0.00 H new ATOM 0 HG21 VAL B 31 12.391 17.178 21.738 1.00 0.00 H new ATOM 0 HG22 VAL B 31 10.705 16.696 22.039 1.00 0.00 H new ATOM 0 HG23 VAL B 31 11.601 17.616 23.271 1.00 0.00 H new ATOM 1535 N ARG B 32 10.803 12.674 23.976 1.00 0.00 N ATOM 1536 CA ARG B 32 10.923 11.224 24.213 1.00 0.00 C ATOM 1537 C ARG B 32 11.248 10.496 22.908 1.00 0.00 C ATOM 1538 O ARG B 32 10.860 10.950 21.829 1.00 0.00 O ATOM 1539 CB ARG B 32 9.629 10.692 24.858 1.00 0.00 C ATOM 1540 CG ARG B 32 9.404 11.291 26.252 1.00 0.00 C ATOM 1541 CD ARG B 32 7.993 10.993 26.779 1.00 0.00 C ATOM 1542 NE ARG B 32 7.654 11.867 27.926 1.00 0.00 N ATOM 1543 CZ ARG B 32 7.297 13.140 27.875 1.00 0.00 C ATOM 1544 NH1 ARG B 32 7.287 13.821 26.762 1.00 0.00 N1+ ATOM 1545 NH2 ARG B 32 6.958 13.782 28.953 1.00 0.00 N ATOM 0 H ARG B 32 10.155 12.888 23.218 1.00 0.00 H new ATOM 0 HA ARG B 32 11.745 11.036 24.904 1.00 0.00 H new ATOM 0 HB2 ARG B 32 8.779 10.929 24.218 1.00 0.00 H new ATOM 0 HB3 ARG B 32 9.679 9.606 24.932 1.00 0.00 H new ATOM 0 HG2 ARG B 32 10.143 10.888 26.944 1.00 0.00 H new ATOM 0 HG3 ARG B 32 9.558 12.369 26.213 1.00 0.00 H new ATOM 0 HD2 ARG B 32 7.265 11.138 25.980 1.00 0.00 H new ATOM 0 HD3 ARG B 32 7.929 9.948 27.083 1.00 0.00 H new ATOM 0 HE ARG B 32 7.701 11.443 28.852 1.00 0.00 H new ATOM 0 HH11 ARG B 32 7.561 13.373 25.888 1.00 0.00 H new ATOM 0 HH12 ARG B 32 7.005 14.801 26.766 1.00 0.00 H new ATOM 0 HH21 ARG B 32 6.965 13.305 29.854 1.00 0.00 H new ATOM 0 HH22 ARG B 32 6.685 14.763 28.898 1.00 0.00 H new ATOM 1559 N VAL B 33 11.958 9.370 23.009 1.00 0.00 N ATOM 1560 CA VAL B 33 12.501 8.611 21.860 1.00 0.00 C ATOM 1561 C VAL B 33 12.286 7.110 22.046 1.00 0.00 C ATOM 1562 O VAL B 33 12.410 6.608 23.167 1.00 0.00 O ATOM 1563 CB VAL B 33 14.004 8.899 21.640 1.00 0.00 C ATOM 1564 CG1 VAL B 33 14.549 8.278 20.354 1.00 0.00 C ATOM 1565 CG2 VAL B 33 14.340 10.398 21.623 1.00 0.00 C ATOM 0 H VAL B 33 12.181 8.944 23.908 1.00 0.00 H new ATOM 0 HA VAL B 33 11.957 8.943 20.976 1.00 0.00 H new ATOM 0 HB VAL B 33 14.485 8.435 22.501 1.00 0.00 H new ATOM 0 HG11 VAL B 33 15.608 8.515 20.256 1.00 0.00 H new ATOM 0 HG12 VAL B 33 14.421 7.196 20.390 1.00 0.00 H new ATOM 0 HG13 VAL B 33 14.007 8.679 19.498 1.00 0.00 H new ATOM 0 HG21 VAL B 33 15.410 10.529 21.465 1.00 0.00 H new ATOM 0 HG22 VAL B 33 13.792 10.885 20.816 1.00 0.00 H new ATOM 0 HG23 VAL B 33 14.057 10.845 22.576 1.00 0.00 H new ATOM 1575 N THR B 34 12.012 6.387 20.956 1.00 0.00 N ATOM 1576 CA THR B 34 11.854 4.917 20.945 1.00 0.00 C ATOM 1577 C THR B 34 12.675 4.273 19.824 1.00 0.00 C ATOM 1578 O THR B 34 12.648 4.745 18.685 1.00 0.00 O ATOM 1579 CB THR B 34 10.370 4.524 20.809 1.00 0.00 C ATOM 1580 OG1 THR B 34 9.611 5.067 21.867 1.00 0.00 O ATOM 1581 CG2 THR B 34 10.126 3.016 20.823 1.00 0.00 C ATOM 0 H THR B 34 11.890 6.809 20.035 1.00 0.00 H new ATOM 0 HA THR B 34 12.229 4.543 21.898 1.00 0.00 H new ATOM 0 HB THR B 34 10.067 4.921 19.840 1.00 0.00 H new ATOM 0 HG1 THR B 34 9.062 4.363 22.271 1.00 0.00 H new ATOM 0 HG21 THR B 34 9.059 2.819 20.723 1.00 0.00 H new ATOM 0 HG22 THR B 34 10.660 2.553 19.993 1.00 0.00 H new ATOM 0 HG23 THR B 34 10.485 2.598 21.763 1.00 0.00 H new ATOM 1589 N THR B 35 13.397 3.187 20.125 1.00 0.00 N ATOM 1590 CA THR B 35 14.225 2.411 19.175 1.00 0.00 C ATOM 1591 C THR B 35 13.599 1.057 18.821 1.00 0.00 C ATOM 1592 O THR B 35 12.684 0.589 19.509 1.00 0.00 O ATOM 1593 CB THR B 35 15.644 2.200 19.716 1.00 0.00 C ATOM 1594 OG1 THR B 35 15.617 1.314 20.808 1.00 0.00 O ATOM 1595 CG2 THR B 35 16.318 3.502 20.164 1.00 0.00 C ATOM 0 H THR B 35 13.426 2.805 21.070 1.00 0.00 H new ATOM 0 HA THR B 35 14.276 3.004 18.262 1.00 0.00 H new ATOM 0 HB THR B 35 16.226 1.789 18.891 1.00 0.00 H new ATOM 0 HG1 THR B 35 16.528 1.184 21.146 1.00 0.00 H new ATOM 0 HG21 THR B 35 17.319 3.284 20.536 1.00 0.00 H new ATOM 0 HG22 THR B 35 16.386 4.186 19.318 1.00 0.00 H new ATOM 0 HG23 THR B 35 15.729 3.963 20.957 1.00 0.00 H new ATOM 1603 N LEU B 36 14.109 0.379 17.776 1.00 0.00 N ATOM 1604 CA LEU B 36 13.662 -0.982 17.416 1.00 0.00 C ATOM 1605 C LEU B 36 14.022 -2.084 18.439 1.00 0.00 C ATOM 1606 O LEU B 36 13.521 -3.208 18.332 1.00 0.00 O ATOM 1607 CB LEU B 36 14.069 -1.355 15.976 1.00 0.00 C ATOM 1608 CG LEU B 36 15.544 -1.207 15.549 1.00 0.00 C ATOM 1609 CD1 LEU B 36 16.569 -1.723 16.565 1.00 0.00 C ATOM 1610 CD2 LEU B 36 15.765 -1.994 14.258 1.00 0.00 C ATOM 0 H LEU B 36 14.834 0.752 17.163 1.00 0.00 H new ATOM 0 HA LEU B 36 12.574 -0.937 17.455 1.00 0.00 H new ATOM 0 HB2 LEU B 36 13.783 -2.394 15.813 1.00 0.00 H new ATOM 0 HB3 LEU B 36 13.469 -0.749 15.298 1.00 0.00 H new ATOM 0 HG LEU B 36 15.706 -0.134 15.442 1.00 0.00 H new ATOM 0 HD11 LEU B 36 17.575 -1.575 16.174 1.00 0.00 H new ATOM 0 HD12 LEU B 36 16.460 -1.176 17.502 1.00 0.00 H new ATOM 0 HD13 LEU B 36 16.402 -2.785 16.743 1.00 0.00 H new ATOM 0 HD21 LEU B 36 16.805 -1.897 13.946 1.00 0.00 H new ATOM 0 HD22 LEU B 36 15.534 -3.045 14.429 1.00 0.00 H new ATOM 0 HD23 LEU B 36 15.114 -1.602 13.477 1.00 0.00 H new ATOM 1622 N PHE B 37 14.826 -1.770 19.461 1.00 0.00 N ATOM 1623 CA PHE B 37 15.072 -2.636 20.622 1.00 0.00 C ATOM 1624 C PHE B 37 13.933 -2.581 21.663 1.00 0.00 C ATOM 1625 O PHE B 37 14.017 -3.230 22.707 1.00 0.00 O ATOM 1626 CB PHE B 37 16.423 -2.267 21.256 1.00 0.00 C ATOM 1627 CG PHE B 37 17.604 -2.342 20.300 1.00 0.00 C ATOM 1628 CD1 PHE B 37 18.051 -3.592 19.830 1.00 0.00 C ATOM 1629 CD2 PHE B 37 18.251 -1.169 19.870 1.00 0.00 C ATOM 1630 CE1 PHE B 37 19.131 -3.666 18.932 1.00 0.00 C ATOM 1631 CE2 PHE B 37 19.341 -1.241 18.984 1.00 0.00 C ATOM 1632 CZ PHE B 37 19.777 -2.492 18.510 1.00 0.00 C ATOM 0 H PHE B 37 15.335 -0.887 19.506 1.00 0.00 H new ATOM 0 HA PHE B 37 15.103 -3.667 20.269 1.00 0.00 H new ATOM 0 HB2 PHE B 37 16.359 -1.255 21.657 1.00 0.00 H new ATOM 0 HB3 PHE B 37 16.610 -2.933 22.099 1.00 0.00 H new ATOM 0 HD1 PHE B 37 17.563 -4.497 20.160 1.00 0.00 H new ATOM 0 HD2 PHE B 37 17.909 -0.207 20.222 1.00 0.00 H new ATOM 0 HE1 PHE B 37 19.464 -4.626 18.567 1.00 0.00 H new ATOM 0 HE2 PHE B 37 19.842 -0.338 18.668 1.00 0.00 H new ATOM 0 HZ PHE B 37 20.608 -2.550 17.822 1.00 0.00 H new ATOM 1642 N ASP B 38 12.879 -1.791 21.404 1.00 0.00 N ATOM 1643 CA ASP B 38 11.819 -1.418 22.355 1.00 0.00 C ATOM 1644 C ASP B 38 12.348 -0.679 23.606 1.00 0.00 C ATOM 1645 O ASP B 38 11.726 -0.669 24.668 1.00 0.00 O ATOM 1646 CB ASP B 38 10.900 -2.623 22.645 1.00 0.00 C ATOM 1647 CG ASP B 38 9.533 -2.253 23.247 1.00 0.00 C ATOM 1648 OD1 ASP B 38 9.011 -1.139 22.986 1.00 0.00 O ATOM 1649 OD2 ASP B 38 8.942 -3.106 23.959 1.00 0.00 O1- ATOM 0 H ASP B 38 12.736 -1.376 20.484 1.00 0.00 H new ATOM 0 HA ASP B 38 11.188 -0.666 21.881 1.00 0.00 H new ATOM 0 HB2 ASP B 38 10.738 -3.172 21.717 1.00 0.00 H new ATOM 0 HB3 ASP B 38 11.413 -3.299 23.329 1.00 0.00 H new ATOM 1654 N GLU B 39 13.527 -0.062 23.493 1.00 0.00 N ATOM 1655 CA GLU B 39 14.116 0.813 24.511 1.00 0.00 C ATOM 1656 C GLU B 39 13.577 2.249 24.375 1.00 0.00 C ATOM 1657 O GLU B 39 13.365 2.754 23.266 1.00 0.00 O ATOM 1658 CB GLU B 39 15.649 0.730 24.438 1.00 0.00 C ATOM 1659 CG GLU B 39 16.346 1.554 25.529 1.00 0.00 C ATOM 1660 CD GLU B 39 17.844 1.199 25.637 1.00 0.00 C ATOM 1661 OE1 GLU B 39 18.172 0.049 26.019 1.00 0.00 O ATOM 1662 OE2 GLU B 39 18.701 2.071 25.354 1.00 0.00 O1- ATOM 0 H GLU B 39 14.116 -0.160 22.666 1.00 0.00 H new ATOM 0 HA GLU B 39 13.822 0.476 25.505 1.00 0.00 H new ATOM 0 HB2 GLU B 39 15.956 -0.312 24.526 1.00 0.00 H new ATOM 0 HB3 GLU B 39 15.980 1.078 23.460 1.00 0.00 H new ATOM 0 HG2 GLU B 39 16.238 2.616 25.309 1.00 0.00 H new ATOM 0 HG3 GLU B 39 15.859 1.376 26.488 1.00 0.00 H new ATOM 1669 N GLU B 40 13.342 2.912 25.510 1.00 0.00 N ATOM 1670 CA GLU B 40 12.749 4.250 25.597 1.00 0.00 C ATOM 1671 C GLU B 40 13.659 5.246 26.331 1.00 0.00 C ATOM 1672 O GLU B 40 14.408 4.873 27.238 1.00 0.00 O ATOM 1673 CB GLU B 40 11.375 4.195 26.280 1.00 0.00 C ATOM 1674 CG GLU B 40 10.337 3.435 25.447 1.00 0.00 C ATOM 1675 CD GLU B 40 8.953 3.391 26.127 1.00 0.00 C ATOM 1676 OE1 GLU B 40 8.872 3.197 27.364 1.00 0.00 O ATOM 1677 OE2 GLU B 40 7.923 3.541 25.417 1.00 0.00 O1- ATOM 0 H GLU B 40 13.567 2.520 26.424 1.00 0.00 H new ATOM 0 HA GLU B 40 12.628 4.605 24.574 1.00 0.00 H new ATOM 0 HB2 GLU B 40 11.476 3.716 27.254 1.00 0.00 H new ATOM 0 HB3 GLU B 40 11.020 5.210 26.459 1.00 0.00 H new ATOM 0 HG2 GLU B 40 10.243 3.908 24.469 1.00 0.00 H new ATOM 0 HG3 GLU B 40 10.687 2.417 25.276 1.00 0.00 H new ATOM 1684 N HIS B 41 13.555 6.522 25.952 1.00 0.00 N ATOM 1685 CA HIS B 41 14.333 7.640 26.496 1.00 0.00 C ATOM 1686 C HIS B 41 13.441 8.867 26.746 1.00 0.00 C ATOM 1687 O HIS B 41 12.419 9.032 26.074 1.00 0.00 O ATOM 1688 CB HIS B 41 15.469 8.008 25.528 1.00 0.00 C ATOM 1689 CG HIS B 41 16.339 6.859 25.082 1.00 0.00 C ATOM 1690 ND1 HIS B 41 17.443 6.359 25.773 1.00 0.00 N ATOM 1691 CD2 HIS B 41 16.153 6.119 23.951 1.00 0.00 C ATOM 1692 CE1 HIS B 41 17.910 5.336 25.035 1.00 0.00 C ATOM 1693 NE2 HIS B 41 17.155 5.170 23.937 1.00 0.00 N ATOM 0 H HIS B 41 12.900 6.818 25.228 1.00 0.00 H new ATOM 0 HA HIS B 41 14.756 7.327 27.450 1.00 0.00 H new ATOM 0 HB2 HIS B 41 15.033 8.475 24.645 1.00 0.00 H new ATOM 0 HB3 HIS B 41 16.102 8.756 26.005 1.00 0.00 H new ATOM 0 HD2 HIS B 41 15.376 6.250 23.213 1.00 0.00 H new ATOM 0 HE1 HIS B 41 18.770 4.734 25.289 1.00 0.00 H new ATOM 0 HE2 HIS B 41 17.298 4.463 23.216 1.00 0.00 H new ATOM 1701 N ALA B 42 13.847 9.750 27.664 1.00 0.00 N ATOM 1702 CA ALA B 42 13.160 11.003 27.994 1.00 0.00 C ATOM 1703 C ALA B 42 14.148 12.130 28.347 1.00 0.00 C ATOM 1704 O ALA B 42 15.125 11.923 29.073 1.00 0.00 O ATOM 1705 CB ALA B 42 12.173 10.759 29.140 1.00 0.00 C ATOM 0 H ALA B 42 14.692 9.607 28.217 1.00 0.00 H new ATOM 0 HA ALA B 42 12.613 11.334 27.111 1.00 0.00 H new ATOM 0 HB1 ALA B 42 11.663 11.690 29.385 1.00 0.00 H new ATOM 0 HB2 ALA B 42 11.439 10.012 28.836 1.00 0.00 H new ATOM 0 HB3 ALA B 42 12.714 10.400 30.016 1.00 0.00 H new ATOM 1711 N PHE B 43 13.865 13.335 27.850 1.00 0.00 N ATOM 1712 CA PHE B 43 14.725 14.519 27.924 1.00 0.00 C ATOM 1713 C PHE B 43 13.895 15.785 28.215 1.00 0.00 C ATOM 1714 O PHE B 43 13.398 16.434 27.285 1.00 0.00 O ATOM 1715 CB PHE B 43 15.531 14.635 26.619 1.00 0.00 C ATOM 1716 CG PHE B 43 16.346 13.408 26.275 1.00 0.00 C ATOM 1717 CD1 PHE B 43 17.529 13.129 26.983 1.00 0.00 C ATOM 1718 CD2 PHE B 43 15.897 12.519 25.283 1.00 0.00 C ATOM 1719 CE1 PHE B 43 18.248 11.950 26.721 1.00 0.00 C ATOM 1720 CE2 PHE B 43 16.622 11.345 25.018 1.00 0.00 C ATOM 1721 CZ PHE B 43 17.794 11.058 25.738 1.00 0.00 C ATOM 0 H PHE B 43 12.989 13.522 27.362 1.00 0.00 H new ATOM 0 HA PHE B 43 15.426 14.416 28.752 1.00 0.00 H new ATOM 0 HB2 PHE B 43 14.843 14.841 25.799 1.00 0.00 H new ATOM 0 HB3 PHE B 43 16.201 15.491 26.695 1.00 0.00 H new ATOM 0 HD1 PHE B 43 17.886 13.823 27.730 1.00 0.00 H new ATOM 0 HD2 PHE B 43 14.998 12.738 24.726 1.00 0.00 H new ATOM 0 HE1 PHE B 43 19.149 11.731 27.276 1.00 0.00 H new ATOM 0 HE2 PHE B 43 16.277 10.660 24.258 1.00 0.00 H new ATOM 0 HZ PHE B 43 18.345 10.152 25.535 1.00 0.00 H new ATOM 1731 N PRO B 44 13.699 16.147 29.498 1.00 0.00 N ATOM 1732 CA PRO B 44 12.971 17.352 29.883 1.00 0.00 C ATOM 1733 C PRO B 44 13.721 18.632 29.488 1.00 0.00 C ATOM 1734 O PRO B 44 14.952 18.688 29.497 1.00 0.00 O ATOM 1735 CB PRO B 44 12.732 17.238 31.389 1.00 0.00 C ATOM 1736 CG PRO B 44 13.868 16.338 31.873 1.00 0.00 C ATOM 1737 CD PRO B 44 14.123 15.413 30.685 1.00 0.00 C ATOM 0 HA PRO B 44 12.022 17.428 29.353 1.00 0.00 H new ATOM 0 HB2 PRO B 44 12.761 18.214 31.873 1.00 0.00 H new ATOM 0 HB3 PRO B 44 11.757 16.803 31.607 1.00 0.00 H new ATOM 0 HG2 PRO B 44 14.756 16.916 32.129 1.00 0.00 H new ATOM 0 HG3 PRO B 44 13.584 15.778 32.764 1.00 0.00 H new ATOM 0 HD2 PRO B 44 15.177 15.144 30.620 1.00 0.00 H new ATOM 0 HD3 PRO B 44 13.563 14.484 30.788 1.00 0.00 H new ATOM 1745 N GLY B 45 12.957 19.671 29.136 1.00 0.00 N ATOM 1746 CA GLY B 45 13.465 20.976 28.689 1.00 0.00 C ATOM 1747 C GLY B 45 13.798 21.061 27.190 1.00 0.00 C ATOM 1748 O GLY B 45 14.236 22.121 26.733 1.00 0.00 O ATOM 0 H GLY B 45 11.938 19.628 29.154 1.00 0.00 H new ATOM 0 HA2 GLY B 45 12.723 21.739 28.926 1.00 0.00 H new ATOM 0 HA3 GLY B 45 14.362 21.216 29.260 1.00 0.00 H new ATOM 1752 N LEU B 46 13.597 19.987 26.417 1.00 0.00 N ATOM 1753 CA LEU B 46 13.829 19.952 24.962 1.00 0.00 C ATOM 1754 C LEU B 46 12.542 20.087 24.125 1.00 0.00 C ATOM 1755 O LEU B 46 11.434 19.817 24.597 1.00 0.00 O ATOM 1756 CB LEU B 46 14.594 18.678 24.557 1.00 0.00 C ATOM 1757 CG LEU B 46 15.970 18.449 25.211 1.00 0.00 C ATOM 1758 CD1 LEU B 46 16.657 17.277 24.512 1.00 0.00 C ATOM 1759 CD2 LEU B 46 16.903 19.653 25.081 1.00 0.00 C ATOM 0 H LEU B 46 13.262 19.099 26.790 1.00 0.00 H new ATOM 0 HA LEU B 46 14.437 20.829 24.740 1.00 0.00 H new ATOM 0 HB2 LEU B 46 13.964 17.818 24.784 1.00 0.00 H new ATOM 0 HB3 LEU B 46 14.732 18.695 23.476 1.00 0.00 H new ATOM 0 HG LEU B 46 15.787 18.264 26.270 1.00 0.00 H new ATOM 0 HD11 LEU B 46 17.633 17.104 24.966 1.00 0.00 H new ATOM 0 HD12 LEU B 46 16.045 16.381 24.616 1.00 0.00 H new ATOM 0 HD13 LEU B 46 16.784 17.508 23.454 1.00 0.00 H new ATOM 0 HD21 LEU B 46 17.855 19.429 25.561 1.00 0.00 H new ATOM 0 HD22 LEU B 46 17.071 19.871 24.026 1.00 0.00 H new ATOM 0 HD23 LEU B 46 16.449 20.519 25.563 1.00 0.00 H new ATOM 1771 N ALA B 47 12.733 20.425 22.848 1.00 0.00 N ATOM 1772 CA ALA B 47 11.772 20.348 21.751 1.00 0.00 C ATOM 1773 C ALA B 47 12.484 19.863 20.463 1.00 0.00 C ATOM 1774 O ALA B 47 13.708 19.979 20.327 1.00 0.00 O ATOM 1775 CB ALA B 47 11.123 21.728 21.573 1.00 0.00 C ATOM 0 H ALA B 47 13.633 20.787 22.532 1.00 0.00 H new ATOM 0 HA ALA B 47 10.986 19.626 21.973 1.00 0.00 H new ATOM 0 HB1 ALA B 47 10.402 21.688 20.757 1.00 0.00 H new ATOM 0 HB2 ALA B 47 10.614 22.012 22.494 1.00 0.00 H new ATOM 0 HB3 ALA B 47 11.892 22.465 21.342 1.00 0.00 H new ATOM 1781 N ILE B 48 11.735 19.297 19.511 1.00 0.00 N ATOM 1782 CA ILE B 48 12.289 18.859 18.214 1.00 0.00 C ATOM 1783 C ILE B 48 12.616 20.096 17.357 1.00 0.00 C ATOM 1784 O ILE B 48 11.727 20.887 17.030 1.00 0.00 O ATOM 1785 CB ILE B 48 11.331 17.874 17.488 1.00 0.00 C ATOM 1786 CG1 ILE B 48 10.993 16.632 18.351 1.00 0.00 C ATOM 1787 CG2 ILE B 48 11.948 17.422 16.151 1.00 0.00 C ATOM 1788 CD1 ILE B 48 9.718 15.903 17.896 1.00 0.00 C ATOM 0 H ILE B 48 10.734 19.128 19.611 1.00 0.00 H new ATOM 0 HA ILE B 48 13.213 18.307 18.386 1.00 0.00 H new ATOM 0 HB ILE B 48 10.400 18.411 17.306 1.00 0.00 H new ATOM 0 HG12 ILE B 48 11.832 15.937 18.319 1.00 0.00 H new ATOM 0 HG13 ILE B 48 10.875 16.941 19.390 1.00 0.00 H new ATOM 0 HG21 ILE B 48 11.268 16.732 15.651 1.00 0.00 H new ATOM 0 HG22 ILE B 48 12.115 18.291 15.515 1.00 0.00 H new ATOM 0 HG23 ILE B 48 12.898 16.922 16.339 1.00 0.00 H new ATOM 0 HD11 ILE B 48 9.540 15.044 18.543 1.00 0.00 H new ATOM 0 HD12 ILE B 48 8.869 16.584 17.955 1.00 0.00 H new ATOM 0 HD13 ILE B 48 9.840 15.564 16.867 1.00 0.00 H new ATOM 1800 N GLY B 49 13.896 20.276 17.012 1.00 0.00 N ATOM 1801 CA GLY B 49 14.394 21.475 16.320 1.00 0.00 C ATOM 1802 C GLY B 49 14.545 21.317 14.803 1.00 0.00 C ATOM 1803 O GLY B 49 14.297 22.274 14.068 1.00 0.00 O ATOM 0 H GLY B 49 14.624 19.588 17.206 1.00 0.00 H new ATOM 0 HA2 GLY B 49 13.714 22.303 16.520 1.00 0.00 H new ATOM 0 HA3 GLY B 49 15.361 21.747 16.742 1.00 0.00 H new ATOM 1807 N ARG B 50 14.942 20.127 14.326 1.00 0.00 N ATOM 1808 CA ARG B 50 15.255 19.867 12.906 1.00 0.00 C ATOM 1809 C ARG B 50 15.161 18.377 12.562 1.00 0.00 C ATOM 1810 O ARG B 50 15.493 17.527 13.390 1.00 0.00 O ATOM 1811 CB ARG B 50 16.665 20.438 12.623 1.00 0.00 C ATOM 1812 CG ARG B 50 17.225 20.195 11.215 1.00 0.00 C ATOM 1813 CD ARG B 50 18.620 20.821 11.093 1.00 0.00 C ATOM 1814 NE ARG B 50 19.217 20.542 9.774 1.00 0.00 N ATOM 1815 CZ ARG B 50 20.277 19.815 9.482 1.00 0.00 C ATOM 1816 NH1 ARG B 50 20.971 19.161 10.371 1.00 0.00 N1+ ATOM 1817 NH2 ARG B 50 20.653 19.759 8.245 1.00 0.00 N ATOM 0 H ARG B 50 15.057 19.306 14.920 1.00 0.00 H new ATOM 0 HA ARG B 50 14.521 20.359 12.268 1.00 0.00 H new ATOM 0 HB2 ARG B 50 16.641 21.513 12.801 1.00 0.00 H new ATOM 0 HB3 ARG B 50 17.359 20.010 13.346 1.00 0.00 H new ATOM 0 HG2 ARG B 50 17.278 19.125 11.015 1.00 0.00 H new ATOM 0 HG3 ARG B 50 16.557 20.626 10.469 1.00 0.00 H new ATOM 0 HD2 ARG B 50 18.552 21.898 11.244 1.00 0.00 H new ATOM 0 HD3 ARG B 50 19.267 20.429 11.878 1.00 0.00 H new ATOM 0 HE ARG B 50 18.745 20.971 8.978 1.00 0.00 H new ATOM 0 HH11 ARG B 50 20.702 19.196 11.354 1.00 0.00 H new ATOM 0 HH12 ARG B 50 21.783 18.615 10.083 1.00 0.00 H new ATOM 0 HH21 ARG B 50 20.133 20.268 7.530 1.00 0.00 H new ATOM 0 HH22 ARG B 50 21.469 19.206 7.985 1.00 0.00 H new ATOM 1831 N VAL B 51 14.789 18.078 11.317 1.00 0.00 N ATOM 1832 CA VAL B 51 14.924 16.747 10.701 1.00 0.00 C ATOM 1833 C VAL B 51 15.569 16.887 9.321 1.00 0.00 C ATOM 1834 O VAL B 51 15.130 17.707 8.517 1.00 0.00 O ATOM 1835 CB VAL B 51 13.584 15.991 10.588 1.00 0.00 C ATOM 1836 CG1 VAL B 51 13.798 14.516 10.229 1.00 0.00 C ATOM 1837 CG2 VAL B 51 12.724 16.070 11.856 1.00 0.00 C ATOM 0 H VAL B 51 14.375 18.767 10.690 1.00 0.00 H new ATOM 0 HA VAL B 51 15.559 16.152 11.357 1.00 0.00 H new ATOM 0 HB VAL B 51 13.045 16.497 9.787 1.00 0.00 H new ATOM 0 HG11 VAL B 51 12.833 14.015 10.158 1.00 0.00 H new ATOM 0 HG12 VAL B 51 14.315 14.446 9.272 1.00 0.00 H new ATOM 0 HG13 VAL B 51 14.399 14.037 11.002 1.00 0.00 H new ATOM 0 HG21 VAL B 51 11.798 15.516 11.703 1.00 0.00 H new ATOM 0 HG22 VAL B 51 13.271 15.638 12.694 1.00 0.00 H new ATOM 0 HG23 VAL B 51 12.491 17.112 12.073 1.00 0.00 H new ATOM 1847 N ASP B 52 16.586 16.081 9.035 1.00 0.00 N ATOM 1848 CA ASP B 52 17.287 16.010 7.748 1.00 0.00 C ATOM 1849 C ASP B 52 17.236 14.578 7.212 1.00 0.00 C ATOM 1850 O ASP B 52 17.841 13.665 7.774 1.00 0.00 O ATOM 1851 CB ASP B 52 18.726 16.514 7.917 1.00 0.00 C ATOM 1852 CG ASP B 52 19.549 16.296 6.637 1.00 0.00 C ATOM 1853 OD1 ASP B 52 20.250 15.264 6.535 1.00 0.00 O ATOM 1854 OD2 ASP B 52 19.460 17.143 5.716 1.00 0.00 O1- ATOM 0 H ASP B 52 16.965 15.428 9.721 1.00 0.00 H new ATOM 0 HA ASP B 52 16.797 16.652 7.016 1.00 0.00 H new ATOM 0 HB2 ASP B 52 18.715 17.575 8.168 1.00 0.00 H new ATOM 0 HB3 ASP B 52 19.200 15.994 8.750 1.00 0.00 H new ATOM 1859 N LEU B 53 16.490 14.363 6.126 1.00 0.00 N ATOM 1860 CA LEU B 53 16.233 13.043 5.542 1.00 0.00 C ATOM 1861 C LEU B 53 17.373 12.545 4.638 1.00 0.00 C ATOM 1862 O LEU B 53 17.441 11.354 4.333 1.00 0.00 O ATOM 1863 CB LEU B 53 14.877 13.059 4.804 1.00 0.00 C ATOM 1864 CG LEU B 53 13.613 13.296 5.653 1.00 0.00 C ATOM 1865 CD1 LEU B 53 13.561 12.414 6.902 1.00 0.00 C ATOM 1866 CD2 LEU B 53 13.380 14.742 6.083 1.00 0.00 C ATOM 0 H LEU B 53 16.036 15.120 5.615 1.00 0.00 H new ATOM 0 HA LEU B 53 16.186 12.324 6.360 1.00 0.00 H new ATOM 0 HB2 LEU B 53 14.919 13.833 4.038 1.00 0.00 H new ATOM 0 HB3 LEU B 53 14.763 12.106 4.288 1.00 0.00 H new ATOM 0 HG LEU B 53 12.814 13.023 4.963 1.00 0.00 H new ATOM 0 HD11 LEU B 53 12.649 12.626 7.459 1.00 0.00 H new ATOM 0 HD12 LEU B 53 13.571 11.365 6.607 1.00 0.00 H new ATOM 0 HD13 LEU B 53 14.427 12.622 7.531 1.00 0.00 H new ATOM 0 HD21 LEU B 53 12.467 14.803 6.675 1.00 0.00 H new ATOM 0 HD22 LEU B 53 14.224 15.084 6.682 1.00 0.00 H new ATOM 0 HD23 LEU B 53 13.283 15.373 5.200 1.00 0.00 H new ATOM 1878 N ARG B 54 18.286 13.440 4.246 1.00 0.00 N ATOM 1879 CA ARG B 54 19.489 13.124 3.453 1.00 0.00 C ATOM 1880 C ARG B 54 20.483 12.268 4.250 1.00 0.00 C ATOM 1881 O ARG B 54 21.055 11.331 3.691 1.00 0.00 O ATOM 1882 CB ARG B 54 20.130 14.440 2.964 1.00 0.00 C ATOM 1883 CG ARG B 54 19.221 15.204 1.978 1.00 0.00 C ATOM 1884 CD ARG B 54 19.725 16.619 1.680 1.00 0.00 C ATOM 1885 NE ARG B 54 19.617 17.494 2.865 1.00 0.00 N ATOM 1886 CZ ARG B 54 19.382 18.792 2.907 1.00 0.00 C ATOM 1887 NH1 ARG B 54 19.235 19.537 1.847 1.00 0.00 N1+ ATOM 1888 NH2 ARG B 54 19.288 19.350 4.069 1.00 0.00 N ATOM 0 H ARG B 54 18.211 14.431 4.475 1.00 0.00 H new ATOM 0 HA ARG B 54 19.200 12.528 2.587 1.00 0.00 H new ATOM 0 HB2 ARG B 54 20.347 15.076 3.822 1.00 0.00 H new ATOM 0 HB3 ARG B 54 21.082 14.220 2.481 1.00 0.00 H new ATOM 0 HG2 ARG B 54 19.153 14.644 1.045 1.00 0.00 H new ATOM 0 HG3 ARG B 54 18.213 15.261 2.390 1.00 0.00 H new ATOM 0 HD2 ARG B 54 20.764 16.575 1.353 1.00 0.00 H new ATOM 0 HD3 ARG B 54 19.150 17.045 0.858 1.00 0.00 H new ATOM 0 HE ARG B 54 19.740 17.036 3.768 1.00 0.00 H new ATOM 0 HH11 ARG B 54 19.300 19.121 0.918 1.00 0.00 H new ATOM 0 HH12 ARG B 54 19.055 20.536 1.947 1.00 0.00 H new ATOM 0 HH21 ARG B 54 19.395 18.789 4.914 1.00 0.00 H new ATOM 0 HH22 ARG B 54 19.107 20.351 4.141 1.00 0.00 H new ATOM 1902 N SER B 55 20.635 12.534 5.553 1.00 0.00 N ATOM 1903 CA SER B 55 21.427 11.722 6.496 1.00 0.00 C ATOM 1904 C SER B 55 20.573 10.882 7.474 1.00 0.00 C ATOM 1905 O SER B 55 21.089 9.984 8.143 1.00 0.00 O ATOM 1906 CB SER B 55 22.390 12.654 7.248 1.00 0.00 C ATOM 1907 OG SER B 55 23.359 11.922 7.989 1.00 0.00 O ATOM 0 H SER B 55 20.199 13.342 5.997 1.00 0.00 H new ATOM 0 HA SER B 55 21.983 10.985 5.916 1.00 0.00 H new ATOM 0 HB2 SER B 55 22.894 13.308 6.536 1.00 0.00 H new ATOM 0 HB3 SER B 55 21.823 13.295 7.923 1.00 0.00 H new ATOM 0 HG SER B 55 23.435 11.016 7.623 1.00 0.00 H new ATOM 1913 N GLY B 56 19.263 11.143 7.574 1.00 0.00 N ATOM 1914 CA GLY B 56 18.368 10.527 8.569 1.00 0.00 C ATOM 1915 C GLY B 56 18.548 11.074 9.995 1.00 0.00 C ATOM 1916 O GLY B 56 18.326 10.359 10.973 1.00 0.00 O ATOM 0 H GLY B 56 18.785 11.799 6.956 1.00 0.00 H new ATOM 0 HA2 GLY B 56 17.335 10.683 8.259 1.00 0.00 H new ATOM 0 HA3 GLY B 56 18.539 9.451 8.579 1.00 0.00 H new ATOM 1920 N VAL B 57 19.001 12.323 10.118 1.00 0.00 N ATOM 1921 CA VAL B 57 19.290 13.006 11.392 1.00 0.00 C ATOM 1922 C VAL B 57 18.043 13.690 11.957 1.00 0.00 C ATOM 1923 O VAL B 57 17.310 14.363 11.230 1.00 0.00 O ATOM 1924 CB VAL B 57 20.445 14.015 11.218 1.00 0.00 C ATOM 1925 CG1 VAL B 57 20.648 14.956 12.413 1.00 0.00 C ATOM 1926 CG2 VAL B 57 21.770 13.273 11.024 1.00 0.00 C ATOM 0 H VAL B 57 19.185 12.913 9.307 1.00 0.00 H new ATOM 0 HA VAL B 57 19.601 12.250 12.113 1.00 0.00 H new ATOM 0 HB VAL B 57 20.162 14.611 10.350 1.00 0.00 H new ATOM 0 HG11 VAL B 57 21.479 15.631 12.207 1.00 0.00 H new ATOM 0 HG12 VAL B 57 19.740 15.537 12.577 1.00 0.00 H new ATOM 0 HG13 VAL B 57 20.870 14.369 13.305 1.00 0.00 H new ATOM 0 HG21 VAL B 57 22.577 13.995 10.902 1.00 0.00 H new ATOM 0 HG22 VAL B 57 21.969 12.650 11.896 1.00 0.00 H new ATOM 0 HG23 VAL B 57 21.708 12.645 10.135 1.00 0.00 H new ATOM 1936 N ILE B 58 17.851 13.585 13.273 1.00 0.00 N ATOM 1937 CA ILE B 58 16.921 14.388 14.075 1.00 0.00 C ATOM 1938 C ILE B 58 17.741 15.179 15.105 1.00 0.00 C ATOM 1939 O ILE B 58 18.505 14.592 15.868 1.00 0.00 O ATOM 1940 CB ILE B 58 15.867 13.472 14.739 1.00 0.00 C ATOM 1941 CG1 ILE B 58 14.910 12.880 13.678 1.00 0.00 C ATOM 1942 CG2 ILE B 58 15.082 14.210 15.842 1.00 0.00 C ATOM 1943 CD1 ILE B 58 14.005 11.754 14.204 1.00 0.00 C ATOM 0 H ILE B 58 18.363 12.906 13.837 1.00 0.00 H new ATOM 0 HA ILE B 58 16.372 15.093 13.450 1.00 0.00 H new ATOM 0 HB ILE B 58 16.400 12.650 15.217 1.00 0.00 H new ATOM 0 HG12 ILE B 58 14.284 13.680 13.283 1.00 0.00 H new ATOM 0 HG13 ILE B 58 15.500 12.497 12.846 1.00 0.00 H new ATOM 0 HG21 ILE B 58 14.351 13.533 16.284 1.00 0.00 H new ATOM 0 HG22 ILE B 58 15.772 14.552 16.613 1.00 0.00 H new ATOM 0 HG23 ILE B 58 14.566 15.068 15.410 1.00 0.00 H new ATOM 0 HD11 ILE B 58 13.366 11.395 13.398 1.00 0.00 H new ATOM 0 HD12 ILE B 58 14.621 10.934 14.572 1.00 0.00 H new ATOM 0 HD13 ILE B 58 13.386 12.134 15.016 1.00 0.00 H new ATOM 1955 N SER B 59 17.570 16.503 15.151 1.00 0.00 N ATOM 1956 CA SER B 59 18.242 17.372 16.131 1.00 0.00 C ATOM 1957 C SER B 59 17.232 17.956 17.117 1.00 0.00 C ATOM 1958 O SER B 59 16.225 18.553 16.718 1.00 0.00 O ATOM 1959 CB SER B 59 19.014 18.510 15.460 1.00 0.00 C ATOM 1960 OG SER B 59 19.901 18.032 14.458 1.00 0.00 O ATOM 0 H SER B 59 16.960 17.008 14.508 1.00 0.00 H new ATOM 0 HA SER B 59 18.957 16.747 16.666 1.00 0.00 H new ATOM 0 HB2 SER B 59 18.310 19.213 15.016 1.00 0.00 H new ATOM 0 HB3 SER B 59 19.579 19.058 16.213 1.00 0.00 H new ATOM 0 HG SER B 59 20.374 18.788 14.052 1.00 0.00 H new ATOM 1966 N LEU B 60 17.509 17.802 18.413 1.00 0.00 N ATOM 1967 CA LEU B 60 16.735 18.389 19.505 1.00 0.00 C ATOM 1968 C LEU B 60 17.412 19.652 20.056 1.00 0.00 C ATOM 1969 O LEU B 60 18.645 19.736 20.103 1.00 0.00 O ATOM 1970 CB LEU B 60 16.514 17.353 20.622 1.00 0.00 C ATOM 1971 CG LEU B 60 16.019 15.973 20.152 1.00 0.00 C ATOM 1972 CD1 LEU B 60 15.781 15.081 21.377 1.00 0.00 C ATOM 1973 CD2 LEU B 60 14.719 16.069 19.345 1.00 0.00 C ATOM 0 H LEU B 60 18.301 17.249 18.740 1.00 0.00 H new ATOM 0 HA LEU B 60 15.764 18.685 19.109 1.00 0.00 H new ATOM 0 HB2 LEU B 60 17.452 17.220 21.162 1.00 0.00 H new ATOM 0 HB3 LEU B 60 15.792 17.757 21.332 1.00 0.00 H new ATOM 0 HG LEU B 60 16.785 15.549 19.503 1.00 0.00 H new ATOM 0 HD11 LEU B 60 15.430 14.102 21.051 1.00 0.00 H new ATOM 0 HD12 LEU B 60 16.713 14.967 21.931 1.00 0.00 H new ATOM 0 HD13 LEU B 60 15.030 15.540 22.021 1.00 0.00 H new ATOM 0 HD21 LEU B 60 14.409 15.071 19.035 1.00 0.00 H new ATOM 0 HD22 LEU B 60 13.940 16.516 19.962 1.00 0.00 H new ATOM 0 HD23 LEU B 60 14.883 16.688 18.463 1.00 0.00 H new ATOM 1985 N ILE B 61 16.601 20.617 20.493 1.00 0.00 N ATOM 1986 CA ILE B 61 17.032 21.926 21.008 1.00 0.00 C ATOM 1987 C ILE B 61 16.298 22.265 22.307 1.00 0.00 C ATOM 1988 O ILE B 61 15.218 21.737 22.571 1.00 0.00 O ATOM 1989 CB ILE B 61 16.870 23.029 19.932 1.00 0.00 C ATOM 1990 CG1 ILE B 61 15.439 23.211 19.359 1.00 0.00 C ATOM 1991 CG2 ILE B 61 17.838 22.770 18.767 1.00 0.00 C ATOM 1992 CD1 ILE B 61 14.504 24.086 20.203 1.00 0.00 C ATOM 0 H ILE B 61 15.587 20.508 20.500 1.00 0.00 H new ATOM 0 HA ILE B 61 18.095 21.873 21.245 1.00 0.00 H new ATOM 0 HB ILE B 61 17.098 23.956 20.458 1.00 0.00 H new ATOM 0 HG12 ILE B 61 15.517 23.646 18.363 1.00 0.00 H new ATOM 0 HG13 ILE B 61 14.984 22.228 19.243 1.00 0.00 H new ATOM 0 HG21 ILE B 61 17.718 23.549 18.014 1.00 0.00 H new ATOM 0 HG22 ILE B 61 18.863 22.777 19.137 1.00 0.00 H new ATOM 0 HG23 ILE B 61 17.620 21.799 18.322 1.00 0.00 H new ATOM 0 HD11 ILE B 61 13.530 24.151 19.718 1.00 0.00 H new ATOM 0 HD12 ILE B 61 14.388 23.645 21.193 1.00 0.00 H new ATOM 0 HD13 ILE B 61 14.929 25.085 20.299 1.00 0.00 H new ATOM 2004 N GLU B 62 16.867 23.132 23.142 1.00 0.00 N ATOM 2005 CA GLU B 62 16.235 23.609 24.375 1.00 0.00 C ATOM 2006 C GLU B 62 14.995 24.466 24.062 1.00 0.00 C ATOM 2007 O GLU B 62 15.041 25.382 23.239 1.00 0.00 O ATOM 2008 CB GLU B 62 17.238 24.386 25.249 1.00 0.00 C ATOM 2009 CG GLU B 62 18.491 23.587 25.652 1.00 0.00 C ATOM 2010 CD GLU B 62 19.705 23.811 24.718 1.00 0.00 C ATOM 2011 OE1 GLU B 62 20.849 23.880 25.232 1.00 0.00 O ATOM 2012 OE2 GLU B 62 19.542 23.906 23.479 1.00 0.00 O1- ATOM 0 H GLU B 62 17.792 23.530 22.981 1.00 0.00 H new ATOM 0 HA GLU B 62 15.907 22.737 24.941 1.00 0.00 H new ATOM 0 HB2 GLU B 62 17.551 25.281 24.711 1.00 0.00 H new ATOM 0 HB3 GLU B 62 16.729 24.719 26.154 1.00 0.00 H new ATOM 0 HG2 GLU B 62 18.772 23.860 26.669 1.00 0.00 H new ATOM 0 HG3 GLU B 62 18.245 22.525 25.663 1.00 0.00 H new ATOM 2019 N GLU B 63 13.867 24.185 24.722 1.00 0.00 N ATOM 2020 CA GLU B 63 12.529 24.649 24.311 1.00 0.00 C ATOM 2021 C GLU B 63 12.247 26.153 24.502 1.00 0.00 C ATOM 2022 O GLU B 63 11.191 26.639 24.081 1.00 0.00 O ATOM 2023 CB GLU B 63 11.455 23.772 24.974 1.00 0.00 C ATOM 2024 CG GLU B 63 11.370 23.897 26.510 1.00 0.00 C ATOM 2025 CD GLU B 63 9.996 24.388 27.018 1.00 0.00 C ATOM 2026 OE1 GLU B 63 8.941 23.870 26.575 1.00 0.00 O ATOM 2027 OE2 GLU B 63 9.963 25.293 27.889 1.00 0.00 O1- ATOM 0 H GLU B 63 13.853 23.620 25.571 1.00 0.00 H new ATOM 0 HA GLU B 63 12.496 24.532 23.228 1.00 0.00 H new ATOM 0 HB2 GLU B 63 10.484 24.028 24.549 1.00 0.00 H new ATOM 0 HB3 GLU B 63 11.649 22.730 24.719 1.00 0.00 H new ATOM 0 HG2 GLU B 63 11.587 22.927 26.957 1.00 0.00 H new ATOM 0 HG3 GLU B 63 12.142 24.586 26.853 1.00 0.00 H new