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: A 5 LYS NZ :NH3+ -175:sc= 1.14 (180deg=0.421) USER MOD Set 1.2: A 55 SER OG : rot 45:sc= 0.464 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -61:sc= 0.304 USER MOD Single : A 41 HIS : no HD1:sc= -0.0336 X(o=-0.034,f=-0.034) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : B 3 MET CE :methyl 167:sc= -0.323 (180deg=-0.598) USER MOD Single : B 5 LYS NZ :NH3+ 172:sc= 1.25 (180deg=1.1) USER MOD Single : B 9 THR OG1 : rot 180:sc= 0.686 USER MOD Single : B 10 LYS NZ :NH3+ 165:sc= 1.2 (180deg=1.04) USER MOD Single : B 34 THR OG1 : rot 180:sc= 0 USER MOD Single : B 35 THR OG1 : rot 180:sc= 0 USER MOD Single : B 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 87 N ALA A 4 10.652 11.942 3.995 1.00 0.00 N ATOM 88 CA ALA A 4 9.416 11.881 4.779 1.00 0.00 C ATOM 89 C ALA A 4 8.219 12.565 4.077 1.00 0.00 C ATOM 90 O ALA A 4 8.343 13.169 3.005 1.00 0.00 O ATOM 91 CB ALA A 4 9.717 12.501 6.154 1.00 0.00 C ATOM 0 HA ALA A 4 9.105 10.842 4.890 1.00 0.00 H new ATOM 0 HB1 ALA A 4 8.818 12.474 6.770 1.00 0.00 H new ATOM 0 HB2 ALA A 4 10.509 11.934 6.643 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.038 13.535 6.025 1.00 0.00 H new ATOM 97 N LYS A 5 7.052 12.513 4.729 1.00 0.00 N ATOM 98 CA LYS A 5 5.873 13.348 4.449 1.00 0.00 C ATOM 99 C LYS A 5 5.428 14.103 5.709 1.00 0.00 C ATOM 100 O LYS A 5 5.343 13.511 6.787 1.00 0.00 O ATOM 101 CB LYS A 5 4.744 12.531 3.784 1.00 0.00 C ATOM 102 CG LYS A 5 4.269 11.274 4.540 1.00 0.00 C ATOM 103 CD LYS A 5 4.969 9.977 4.098 1.00 0.00 C ATOM 104 CE LYS A 5 4.418 8.794 4.908 1.00 0.00 C ATOM 105 NZ LYS A 5 4.979 7.494 4.465 1.00 0.00 N1+ ATOM 0 H LYS A 5 6.894 11.862 5.498 1.00 0.00 H new ATOM 0 HA LYS A 5 6.150 14.108 3.719 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.886 13.188 3.641 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.081 12.226 2.793 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.436 11.419 5.607 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.194 11.161 4.398 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.807 9.809 3.033 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.045 10.063 4.247 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.645 8.943 5.964 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.332 8.768 4.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.515 6.721 4.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.815 7.375 3.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.001 7.474 4.656 1.00 0.00 H new ATOM 119 N VAL A 6 5.163 15.403 5.579 1.00 0.00 N ATOM 120 CA VAL A 6 4.732 16.294 6.680 1.00 0.00 C ATOM 121 C VAL A 6 3.217 16.516 6.629 1.00 0.00 C ATOM 122 O VAL A 6 2.654 16.643 5.540 1.00 0.00 O ATOM 123 CB VAL A 6 5.465 17.653 6.649 1.00 0.00 C ATOM 124 CG1 VAL A 6 5.202 18.486 7.908 1.00 0.00 C ATOM 125 CG2 VAL A 6 6.984 17.493 6.511 1.00 0.00 C ATOM 0 H VAL A 6 5.241 15.888 4.685 1.00 0.00 H new ATOM 0 HA VAL A 6 4.994 15.798 7.615 1.00 0.00 H new ATOM 0 HB VAL A 6 5.065 18.166 5.774 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.739 19.432 7.837 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.134 18.682 7.998 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.546 17.938 8.785 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.453 18.477 6.494 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.368 16.922 7.357 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.212 16.966 5.584 1.00 0.00 H new ATOM 135 N VAL A 7 2.560 16.622 7.785 1.00 0.00 N ATOM 136 CA VAL A 7 1.151 17.037 7.927 1.00 0.00 C ATOM 137 C VAL A 7 0.977 18.087 9.032 1.00 0.00 C ATOM 138 O VAL A 7 1.648 18.038 10.071 1.00 0.00 O ATOM 139 CB VAL A 7 0.229 15.808 8.093 1.00 0.00 C ATOM 140 CG1 VAL A 7 0.510 14.992 9.361 1.00 0.00 C ATOM 141 CG2 VAL A 7 -1.253 16.194 8.097 1.00 0.00 C ATOM 0 H VAL A 7 3.002 16.416 8.681 1.00 0.00 H new ATOM 0 HA VAL A 7 0.843 17.531 7.006 1.00 0.00 H new ATOM 0 HB VAL A 7 0.455 15.188 7.225 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.176 14.146 9.409 1.00 0.00 H new ATOM 0 HG12 VAL A 7 1.536 14.626 9.338 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.369 15.623 10.238 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.862 15.298 8.216 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.449 16.878 8.923 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.505 16.681 7.155 1.00 0.00 H new ATOM 151 N LEU A 8 0.078 19.053 8.803 1.00 0.00 N ATOM 152 CA LEU A 8 -0.221 20.169 9.708 1.00 0.00 C ATOM 153 C LEU A 8 -1.680 20.644 9.602 1.00 0.00 C ATOM 154 O LEU A 8 -2.335 20.449 8.576 1.00 0.00 O ATOM 155 CB LEU A 8 0.778 21.320 9.438 1.00 0.00 C ATOM 156 CG LEU A 8 0.677 22.012 8.057 1.00 0.00 C ATOM 157 CD1 LEU A 8 -0.236 23.243 8.084 1.00 0.00 C ATOM 158 CD2 LEU A 8 2.055 22.478 7.581 1.00 0.00 C ATOM 0 H LEU A 8 -0.481 19.079 7.951 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.102 19.821 10.734 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.643 22.078 10.210 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.789 20.928 9.550 1.00 0.00 H new ATOM 0 HG LEU A 8 0.259 21.266 7.381 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.272 23.691 7.091 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.240 22.945 8.384 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.154 23.970 8.796 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.960 22.961 6.609 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.468 23.186 8.299 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.720 21.619 7.495 1.00 0.00 H new ATOM 266 N VAL A 16 -3.065 20.574 5.644 1.00 0.00 N ATOM 267 CA VAL A 16 -2.074 20.578 4.551 1.00 0.00 C ATOM 268 C VAL A 16 -1.123 19.387 4.708 1.00 0.00 C ATOM 269 O VAL A 16 -0.705 19.055 5.820 1.00 0.00 O ATOM 270 CB VAL A 16 -1.298 21.917 4.508 1.00 0.00 C ATOM 271 CG1 VAL A 16 -0.223 21.950 3.412 1.00 0.00 C ATOM 272 CG2 VAL A 16 -2.232 23.115 4.271 1.00 0.00 C ATOM 0 HA VAL A 16 -2.599 20.479 3.601 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.822 21.992 5.486 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.287 22.913 3.431 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.500 21.153 3.587 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.692 21.807 2.438 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.646 24.034 4.248 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.749 22.990 3.320 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.964 23.171 5.077 1.00 0.00 H new ATOM 282 N GLU A 17 -0.771 18.756 3.586 1.00 0.00 N ATOM 283 CA GLU A 17 0.181 17.642 3.490 1.00 0.00 C ATOM 284 C GLU A 17 1.280 17.932 2.455 1.00 0.00 C ATOM 285 O GLU A 17 1.005 18.498 1.390 1.00 0.00 O ATOM 286 CB GLU A 17 -0.541 16.322 3.154 1.00 0.00 C ATOM 287 CG GLU A 17 -1.489 15.848 4.266 1.00 0.00 C ATOM 288 CD GLU A 17 -2.291 14.588 3.871 1.00 0.00 C ATOM 289 OE1 GLU A 17 -1.747 13.685 3.185 1.00 0.00 O ATOM 290 OE2 GLU A 17 -3.480 14.479 4.267 1.00 0.00 O1- ATOM 0 H GLU A 17 -1.157 19.017 2.679 1.00 0.00 H new ATOM 0 HA GLU A 17 0.655 17.535 4.465 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.109 16.451 2.232 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.202 15.547 2.965 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.910 15.638 5.166 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.182 16.652 4.513 1.00 0.00 H new ATOM 297 N ILE A 18 2.527 17.545 2.758 1.00 0.00 N ATOM 298 CA ILE A 18 3.724 17.881 1.973 1.00 0.00 C ATOM 299 C ILE A 18 4.615 16.641 1.824 1.00 0.00 C ATOM 300 O ILE A 18 5.210 16.184 2.801 1.00 0.00 O ATOM 301 CB ILE A 18 4.501 19.065 2.617 1.00 0.00 C ATOM 302 CG1 ILE A 18 3.582 20.271 2.916 1.00 0.00 C ATOM 303 CG2 ILE A 18 5.682 19.480 1.709 1.00 0.00 C ATOM 304 CD1 ILE A 18 4.262 21.418 3.663 1.00 0.00 C ATOM 0 H ILE A 18 2.737 16.975 3.577 1.00 0.00 H new ATOM 0 HA ILE A 18 3.413 18.203 0.979 1.00 0.00 H new ATOM 0 HB ILE A 18 4.893 18.724 3.575 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.186 20.652 1.975 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.731 19.926 3.503 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.220 20.309 2.168 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.358 18.635 1.583 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.301 19.789 0.735 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.543 22.220 3.830 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.633 21.058 4.623 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.095 21.795 3.070 1.00 0.00 H new ATOM 316 N GLY A 19 4.709 16.100 0.607 1.00 0.00 N ATOM 317 CA GLY A 19 5.514 14.914 0.283 1.00 0.00 C ATOM 318 C GLY A 19 6.962 15.224 -0.128 1.00 0.00 C ATOM 319 O GLY A 19 7.304 16.353 -0.494 1.00 0.00 O ATOM 0 H GLY A 19 4.217 16.481 -0.201 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.529 14.252 1.149 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.028 14.370 -0.527 1.00 0.00 H new ATOM 323 N ASP A 20 7.812 14.196 -0.076 1.00 0.00 N ATOM 324 CA ASP A 20 9.220 14.198 -0.526 1.00 0.00 C ATOM 325 C ASP A 20 10.080 15.322 0.101 1.00 0.00 C ATOM 326 O ASP A 20 10.887 15.966 -0.577 1.00 0.00 O ATOM 327 CB ASP A 20 9.336 14.117 -2.068 1.00 0.00 C ATOM 328 CG ASP A 20 8.447 13.045 -2.723 1.00 0.00 C ATOM 329 OD1 ASP A 20 8.000 13.257 -3.880 1.00 0.00 O ATOM 330 OD2 ASP A 20 8.214 11.969 -2.120 1.00 0.00 O1- ATOM 0 H ASP A 20 7.530 13.290 0.299 1.00 0.00 H new ATOM 0 HA ASP A 20 9.660 13.280 -0.135 1.00 0.00 H new ATOM 0 HB2 ASP A 20 9.081 15.089 -2.490 1.00 0.00 H new ATOM 0 HB3 ASP A 20 10.375 13.919 -2.331 1.00 0.00 H new ATOM 335 N VAL A 21 9.915 15.571 1.402 1.00 0.00 N ATOM 336 CA VAL A 21 10.676 16.588 2.142 1.00 0.00 C ATOM 337 C VAL A 21 12.131 16.136 2.368 1.00 0.00 C ATOM 338 O VAL A 21 12.382 15.045 2.888 1.00 0.00 O ATOM 339 CB VAL A 21 9.934 17.009 3.434 1.00 0.00 C ATOM 340 CG1 VAL A 21 9.985 15.977 4.561 1.00 0.00 C ATOM 341 CG2 VAL A 21 10.500 18.314 3.991 1.00 0.00 C ATOM 0 H VAL A 21 9.242 15.068 1.981 1.00 0.00 H new ATOM 0 HA VAL A 21 10.742 17.492 1.537 1.00 0.00 H new ATOM 0 HB VAL A 21 8.896 17.118 3.120 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.440 16.355 5.426 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.529 15.047 4.223 1.00 0.00 H new ATOM 0 HG13 VAL A 21 11.023 15.792 4.838 1.00 0.00 H new ATOM 0 HG21 VAL A 21 9.961 18.587 4.898 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.557 18.183 4.223 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.387 19.105 3.250 1.00 0.00 H new ATOM 351 N LEU A 22 13.101 16.966 1.971 1.00 0.00 N ATOM 352 CA LEU A 22 14.534 16.766 2.234 1.00 0.00 C ATOM 353 C LEU A 22 14.926 17.269 3.634 1.00 0.00 C ATOM 354 O LEU A 22 15.785 16.681 4.289 1.00 0.00 O ATOM 355 CB LEU A 22 15.370 17.530 1.192 1.00 0.00 C ATOM 356 CG LEU A 22 15.230 17.056 -0.268 1.00 0.00 C ATOM 357 CD1 LEU A 22 16.000 18.008 -1.181 1.00 0.00 C ATOM 358 CD2 LEU A 22 15.784 15.650 -0.490 1.00 0.00 C ATOM 0 H LEU A 22 12.909 17.818 1.444 1.00 0.00 H new ATOM 0 HA LEU A 22 14.731 15.696 2.174 1.00 0.00 H new ATOM 0 HB2 LEU A 22 15.096 18.584 1.238 1.00 0.00 H new ATOM 0 HB3 LEU A 22 16.420 17.460 1.476 1.00 0.00 H new ATOM 0 HG LEU A 22 14.164 17.045 -0.495 1.00 0.00 H new ATOM 0 HD11 LEU A 22 15.904 17.677 -2.215 1.00 0.00 H new ATOM 0 HD12 LEU A 22 15.594 19.015 -1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 22 17.052 18.012 -0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 22 15.658 15.370 -1.536 1.00 0.00 H new ATOM 0 HD22 LEU A 22 16.844 15.632 -0.235 1.00 0.00 H new ATOM 0 HD23 LEU A 22 15.246 14.943 0.142 1.00 0.00 H new ATOM 370 N GLU A 23 14.296 18.350 4.104 1.00 0.00 N ATOM 371 CA GLU A 23 14.544 18.956 5.420 1.00 0.00 C ATOM 372 C GLU A 23 13.322 19.707 5.952 1.00 0.00 C ATOM 373 O GLU A 23 12.620 20.393 5.204 1.00 0.00 O ATOM 374 CB GLU A 23 15.771 19.881 5.337 1.00 0.00 C ATOM 375 CG GLU A 23 16.026 20.691 6.620 1.00 0.00 C ATOM 376 CD GLU A 23 17.364 21.445 6.610 1.00 0.00 C ATOM 377 OE1 GLU A 23 17.521 22.385 7.423 1.00 0.00 O ATOM 378 OE2 GLU A 23 18.310 21.045 5.890 1.00 0.00 O1- ATOM 0 H GLU A 23 13.581 18.842 3.568 1.00 0.00 H new ATOM 0 HA GLU A 23 14.745 18.154 6.130 1.00 0.00 H new ATOM 0 HB2 GLU A 23 16.653 19.280 5.117 1.00 0.00 H new ATOM 0 HB3 GLU A 23 15.639 20.571 4.503 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.215 21.407 6.756 1.00 0.00 H new ATOM 0 HG3 GLU A 23 16.004 20.017 7.477 1.00 0.00 H new ATOM 385 N VAL A 24 13.103 19.622 7.264 1.00 0.00 N ATOM 386 CA VAL A 24 12.128 20.409 8.032 1.00 0.00 C ATOM 387 C VAL A 24 12.785 20.983 9.283 1.00 0.00 C ATOM 388 O VAL A 24 13.659 20.349 9.870 1.00 0.00 O ATOM 389 CB VAL A 24 10.875 19.576 8.343 1.00 0.00 C ATOM 390 CG1 VAL A 24 11.146 18.307 9.152 1.00 0.00 C ATOM 391 CG2 VAL A 24 9.789 20.380 9.072 1.00 0.00 C ATOM 0 H VAL A 24 13.624 18.972 7.852 1.00 0.00 H new ATOM 0 HA VAL A 24 11.792 21.253 7.430 1.00 0.00 H new ATOM 0 HB VAL A 24 10.523 19.285 7.354 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.208 17.780 9.327 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.828 17.661 8.598 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.596 18.574 10.108 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.929 19.739 9.264 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.184 20.751 10.018 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.482 21.222 8.452 1.00 0.00 H new ATOM 401 N ARG A 25 12.388 22.185 9.709 1.00 0.00 N ATOM 402 CA ARG A 25 12.927 22.863 10.903 1.00 0.00 C ATOM 403 C ARG A 25 11.928 23.834 11.532 1.00 0.00 C ATOM 404 O ARG A 25 11.156 24.470 10.820 1.00 0.00 O ATOM 405 CB ARG A 25 14.260 23.571 10.570 1.00 0.00 C ATOM 406 CG ARG A 25 14.170 24.441 9.305 1.00 0.00 C ATOM 407 CD ARG A 25 15.325 25.436 9.172 1.00 0.00 C ATOM 408 NE ARG A 25 16.583 24.813 8.727 1.00 0.00 N ATOM 409 CZ ARG A 25 17.754 25.417 8.643 1.00 0.00 C ATOM 410 NH1 ARG A 25 17.964 26.634 9.054 1.00 0.00 N1+ ATOM 411 NH2 ARG A 25 18.746 24.768 8.116 1.00 0.00 N ATOM 0 H ARG A 25 11.671 22.728 9.229 1.00 0.00 H new ATOM 0 HA ARG A 25 13.118 22.092 11.649 1.00 0.00 H new ATOM 0 HB2 ARG A 25 14.557 24.194 11.414 1.00 0.00 H new ATOM 0 HB3 ARG A 25 15.041 22.822 10.436 1.00 0.00 H new ATOM 0 HG2 ARG A 25 14.154 23.794 8.428 1.00 0.00 H new ATOM 0 HG3 ARG A 25 13.227 24.988 9.315 1.00 0.00 H new ATOM 0 HD2 ARG A 25 15.044 26.216 8.464 1.00 0.00 H new ATOM 0 HD3 ARG A 25 15.489 25.922 10.134 1.00 0.00 H new ATOM 0 HE ARG A 25 16.546 23.829 8.460 1.00 0.00 H new ATOM 0 HH11 ARG A 25 17.202 27.172 9.466 1.00 0.00 H new ATOM 0 HH12 ARG A 25 18.891 27.050 8.964 1.00 0.00 H new ATOM 0 HH21 ARG A 25 18.610 23.815 7.779 1.00 0.00 H new ATOM 0 HH22 ARG A 25 19.662 25.211 8.039 1.00 0.00 H new ATOM 425 N ALA A 26 11.975 23.970 12.853 1.00 0.00 N ATOM 426 CA ALA A 26 11.276 25.007 13.612 1.00 0.00 C ATOM 427 C ALA A 26 12.243 26.176 13.869 1.00 0.00 C ATOM 428 O ALA A 26 13.237 26.018 14.576 1.00 0.00 O ATOM 429 CB ALA A 26 10.733 24.391 14.909 1.00 0.00 C ATOM 0 H ALA A 26 12.518 23.342 13.446 1.00 0.00 H new ATOM 0 HA ALA A 26 10.426 25.403 13.055 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.210 25.155 15.483 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.043 23.583 14.667 1.00 0.00 H new ATOM 0 HB3 ALA A 26 11.561 23.997 15.499 1.00 0.00 H new ATOM 464 N ALA A 30 8.166 29.989 13.135 1.00 0.00 N ATOM 465 CA ALA A 30 7.517 29.216 12.071 1.00 0.00 C ATOM 466 C ALA A 30 8.192 27.845 11.878 1.00 0.00 C ATOM 467 O ALA A 30 9.392 27.701 12.132 1.00 0.00 O ATOM 468 CB ALA A 30 7.563 30.023 10.766 1.00 0.00 C ATOM 0 HA ALA A 30 6.481 29.031 12.355 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.082 29.455 9.970 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.039 30.969 10.904 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.601 30.219 10.496 1.00 0.00 H new ATOM 474 N VAL A 31 7.452 26.850 11.377 1.00 0.00 N ATOM 475 CA VAL A 31 8.078 25.665 10.758 1.00 0.00 C ATOM 476 C VAL A 31 8.311 25.912 9.272 1.00 0.00 C ATOM 477 O VAL A 31 7.473 26.508 8.599 1.00 0.00 O ATOM 478 CB VAL A 31 7.308 24.368 11.035 1.00 0.00 C ATOM 479 CG1 VAL A 31 7.837 23.172 10.225 1.00 0.00 C ATOM 480 CG2 VAL A 31 7.482 23.996 12.508 1.00 0.00 C ATOM 0 H VAL A 31 6.432 26.836 11.385 1.00 0.00 H new ATOM 0 HA VAL A 31 9.050 25.515 11.229 1.00 0.00 H new ATOM 0 HB VAL A 31 6.271 24.557 10.758 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.252 22.284 10.464 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.751 23.387 9.160 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.883 22.996 10.476 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.938 23.075 12.717 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.540 23.850 12.724 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.091 24.798 13.134 1.00 0.00 H new ATOM 490 N ARG A 32 9.458 25.462 8.764 1.00 0.00 N ATOM 491 CA ARG A 32 9.945 25.695 7.402 1.00 0.00 C ATOM 492 C ARG A 32 10.396 24.368 6.794 1.00 0.00 C ATOM 493 O ARG A 32 10.962 23.530 7.501 1.00 0.00 O ATOM 494 CB ARG A 32 11.080 26.745 7.417 1.00 0.00 C ATOM 495 CG ARG A 32 10.729 28.005 8.227 1.00 0.00 C ATOM 496 CD ARG A 32 11.870 29.023 8.250 1.00 0.00 C ATOM 497 NE ARG A 32 11.615 30.047 9.284 1.00 0.00 N ATOM 498 CZ ARG A 32 11.399 31.338 9.130 1.00 0.00 C ATOM 499 NH1 ARG A 32 11.450 31.934 7.972 1.00 0.00 N1+ ATOM 500 NH2 ARG A 32 11.124 32.051 10.176 1.00 0.00 N ATOM 0 H ARG A 32 10.104 24.898 9.316 1.00 0.00 H new ATOM 0 HA ARG A 32 9.144 26.095 6.780 1.00 0.00 H new ATOM 0 HB2 ARG A 32 11.980 26.292 7.833 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.313 27.033 6.392 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.840 28.470 7.802 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.481 27.719 9.249 1.00 0.00 H new ATOM 0 HD2 ARG A 32 12.815 28.518 8.452 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.965 29.497 7.273 1.00 0.00 H new ATOM 0 HE ARG A 32 11.605 29.709 10.246 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.665 31.398 7.131 1.00 0.00 H new ATOM 0 HH12 ARG A 32 11.275 32.937 7.906 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.078 31.611 11.095 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.953 33.052 10.080 1.00 0.00 H new ATOM 514 N VAL A 33 10.146 24.161 5.502 1.00 0.00 N ATOM 515 CA VAL A 33 10.427 22.906 4.773 1.00 0.00 C ATOM 516 C VAL A 33 11.153 23.161 3.454 1.00 0.00 C ATOM 517 O VAL A 33 10.942 24.187 2.807 1.00 0.00 O ATOM 518 CB VAL A 33 9.145 22.090 4.497 1.00 0.00 C ATOM 519 CG1 VAL A 33 8.516 21.554 5.782 1.00 0.00 C ATOM 520 CG2 VAL A 33 8.072 22.863 3.721 1.00 0.00 C ATOM 0 H VAL A 33 9.730 24.878 4.908 1.00 0.00 H new ATOM 0 HA VAL A 33 11.076 22.325 5.428 1.00 0.00 H new ATOM 0 HB VAL A 33 9.486 21.263 3.874 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.618 20.987 5.538 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.228 20.905 6.292 1.00 0.00 H new ATOM 0 HG13 VAL A 33 8.253 22.387 6.434 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.203 22.223 3.566 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.777 23.745 4.289 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.472 23.171 2.755 1.00 0.00 H new ATOM 530 N THR A 34 11.963 22.186 3.030 1.00 0.00 N ATOM 531 CA THR A 34 12.616 22.118 1.710 1.00 0.00 C ATOM 532 C THR A 34 12.313 20.770 1.059 1.00 0.00 C ATOM 533 O THR A 34 12.574 19.724 1.653 1.00 0.00 O ATOM 534 CB THR A 34 14.135 22.311 1.818 1.00 0.00 C ATOM 535 OG1 THR A 34 14.454 23.525 2.472 1.00 0.00 O ATOM 536 CG2 THR A 34 14.806 22.364 0.441 1.00 0.00 C ATOM 0 H THR A 34 12.194 21.386 3.619 1.00 0.00 H new ATOM 0 HA THR A 34 12.220 22.927 1.096 1.00 0.00 H new ATOM 0 HB THR A 34 14.500 21.454 2.384 1.00 0.00 H new ATOM 0 HG1 THR A 34 15.428 23.620 2.528 1.00 0.00 H new ATOM 0 HG21 THR A 34 15.880 22.502 0.565 1.00 0.00 H new ATOM 0 HG22 THR A 34 14.619 21.431 -0.091 1.00 0.00 H new ATOM 0 HG23 THR A 34 14.397 23.197 -0.131 1.00 0.00 H new ATOM 544 N THR A 35 11.761 20.768 -0.157 1.00 0.00 N ATOM 545 CA THR A 35 11.343 19.550 -0.886 1.00 0.00 C ATOM 546 C THR A 35 12.374 19.071 -1.912 1.00 0.00 C ATOM 547 O THR A 35 13.288 19.799 -2.307 1.00 0.00 O ATOM 548 CB THR A 35 9.981 19.748 -1.577 1.00 0.00 C ATOM 549 OG1 THR A 35 10.088 20.685 -2.629 1.00 0.00 O ATOM 550 CG2 THR A 35 8.884 20.203 -0.612 1.00 0.00 C ATOM 0 H THR A 35 11.585 21.626 -0.680 1.00 0.00 H new ATOM 0 HA THR A 35 11.256 18.774 -0.126 1.00 0.00 H new ATOM 0 HB THR A 35 9.696 18.772 -1.970 1.00 0.00 H new ATOM 0 HG1 THR A 35 10.372 21.551 -2.268 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.948 20.326 -1.157 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.754 19.455 0.170 1.00 0.00 H new ATOM 0 HG23 THR A 35 9.168 21.154 -0.160 1.00 0.00 H new ATOM 558 N LEU A 36 12.184 17.837 -2.395 1.00 0.00 N ATOM 559 CA LEU A 36 12.929 17.190 -3.482 1.00 0.00 C ATOM 560 C LEU A 36 13.065 18.062 -4.744 1.00 0.00 C ATOM 561 O LEU A 36 14.066 17.981 -5.459 1.00 0.00 O ATOM 562 CB LEU A 36 12.165 15.890 -3.789 1.00 0.00 C ATOM 563 CG LEU A 36 12.727 15.031 -4.934 1.00 0.00 C ATOM 564 CD1 LEU A 36 14.100 14.467 -4.573 1.00 0.00 C ATOM 565 CD2 LEU A 36 11.784 13.858 -5.210 1.00 0.00 C ATOM 0 H LEU A 36 11.462 17.226 -2.014 1.00 0.00 H new ATOM 0 HA LEU A 36 13.957 17.008 -3.169 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.142 15.283 -2.884 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.133 16.146 -4.027 1.00 0.00 H new ATOM 0 HG LEU A 36 12.818 15.666 -5.815 1.00 0.00 H new ATOM 0 HD11 LEU A 36 14.474 13.864 -5.400 1.00 0.00 H new ATOM 0 HD12 LEU A 36 14.791 15.288 -4.380 1.00 0.00 H new ATOM 0 HD13 LEU A 36 14.015 13.847 -3.681 1.00 0.00 H new ATOM 0 HD21 LEU A 36 12.186 13.252 -6.022 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.691 13.247 -4.312 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.803 14.239 -5.493 1.00 0.00 H new ATOM 577 N PHE A 37 12.069 18.914 -5.001 1.00 0.00 N ATOM 578 CA PHE A 37 11.979 19.788 -6.173 1.00 0.00 C ATOM 579 C PHE A 37 12.735 21.127 -6.015 1.00 0.00 C ATOM 580 O PHE A 37 12.602 22.015 -6.857 1.00 0.00 O ATOM 581 CB PHE A 37 10.483 19.982 -6.500 1.00 0.00 C ATOM 582 CG PHE A 37 9.692 18.687 -6.454 1.00 0.00 C ATOM 583 CD1 PHE A 37 8.820 18.423 -5.377 1.00 0.00 C ATOM 584 CD2 PHE A 37 9.884 17.702 -7.443 1.00 0.00 C ATOM 585 CE1 PHE A 37 8.147 17.191 -5.291 1.00 0.00 C ATOM 586 CE2 PHE A 37 9.220 16.461 -7.349 1.00 0.00 C ATOM 587 CZ PHE A 37 8.353 16.211 -6.269 1.00 0.00 C ATOM 0 H PHE A 37 11.272 19.018 -4.373 1.00 0.00 H new ATOM 0 HA PHE A 37 12.487 19.309 -7.010 1.00 0.00 H new ATOM 0 HB2 PHE A 37 10.051 20.690 -5.793 1.00 0.00 H new ATOM 0 HB3 PHE A 37 10.388 20.424 -7.492 1.00 0.00 H new ATOM 0 HD1 PHE A 37 8.668 19.172 -4.614 1.00 0.00 H new ATOM 0 HD2 PHE A 37 10.542 17.898 -8.276 1.00 0.00 H new ATOM 0 HE1 PHE A 37 7.471 17.001 -4.470 1.00 0.00 H new ATOM 0 HE2 PHE A 37 9.377 15.705 -8.104 1.00 0.00 H new ATOM 0 HZ PHE A 37 7.845 15.261 -6.195 1.00 0.00 H new ATOM 597 N ASP A 38 13.491 21.287 -4.922 1.00 0.00 N ATOM 598 CA ASP A 38 14.117 22.537 -4.453 1.00 0.00 C ATOM 599 C ASP A 38 13.119 23.667 -4.108 1.00 0.00 C ATOM 600 O ASP A 38 13.518 24.813 -3.887 1.00 0.00 O ATOM 601 CB ASP A 38 15.258 23.004 -5.380 1.00 0.00 C ATOM 602 CG ASP A 38 16.330 21.939 -5.670 1.00 0.00 C ATOM 603 OD1 ASP A 38 16.914 21.966 -6.780 1.00 0.00 O ATOM 604 OD2 ASP A 38 16.641 21.102 -4.785 1.00 0.00 O1- ATOM 0 H ASP A 38 13.696 20.503 -4.302 1.00 0.00 H new ATOM 0 HA ASP A 38 14.571 22.282 -3.496 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.827 23.333 -6.326 1.00 0.00 H new ATOM 0 HB3 ASP A 38 15.740 23.872 -4.930 1.00 0.00 H new ATOM 609 N GLU A 39 11.819 23.360 -4.039 1.00 0.00 N ATOM 610 CA GLU A 39 10.778 24.283 -3.564 1.00 0.00 C ATOM 611 C GLU A 39 10.734 24.337 -2.025 1.00 0.00 C ATOM 612 O GLU A 39 10.986 23.335 -1.350 1.00 0.00 O ATOM 613 CB GLU A 39 9.415 23.900 -4.179 1.00 0.00 C ATOM 614 CG GLU A 39 8.235 24.829 -3.848 1.00 0.00 C ATOM 615 CD GLU A 39 8.448 26.269 -4.356 1.00 0.00 C ATOM 616 OE1 GLU A 39 7.800 26.666 -5.357 1.00 0.00 O ATOM 617 OE2 GLU A 39 9.266 27.017 -3.765 1.00 0.00 O1- ATOM 0 H GLU A 39 11.453 22.449 -4.316 1.00 0.00 H new ATOM 0 HA GLU A 39 11.022 25.292 -3.897 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.527 23.861 -5.263 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.161 22.893 -3.849 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.324 24.424 -4.289 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.085 24.848 -2.769 1.00 0.00 H new ATOM 624 N GLU A 40 10.391 25.500 -1.472 1.00 0.00 N ATOM 625 CA GLU A 40 10.355 25.774 -0.028 1.00 0.00 C ATOM 626 C GLU A 40 9.028 26.418 0.405 1.00 0.00 C ATOM 627 O GLU A 40 8.432 27.203 -0.337 1.00 0.00 O ATOM 628 CB GLU A 40 11.540 26.669 0.389 1.00 0.00 C ATOM 629 CG GLU A 40 12.908 25.999 0.211 1.00 0.00 C ATOM 630 CD GLU A 40 14.092 26.950 0.498 1.00 0.00 C ATOM 631 OE1 GLU A 40 14.009 27.803 1.419 1.00 0.00 O ATOM 632 OE2 GLU A 40 15.135 26.843 -0.195 1.00 0.00 O1- ATOM 0 H GLU A 40 10.120 26.308 -2.033 1.00 0.00 H new ATOM 0 HA GLU A 40 10.438 24.813 0.480 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.515 27.587 -0.198 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.418 26.955 1.434 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.973 25.137 0.875 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.991 25.622 -0.808 1.00 0.00 H new ATOM 639 N HIS A 41 8.602 26.124 1.639 1.00 0.00 N ATOM 640 CA HIS A 41 7.392 26.678 2.278 1.00 0.00 C ATOM 641 C HIS A 41 7.627 26.976 3.763 1.00 0.00 C ATOM 642 O HIS A 41 8.528 26.395 4.381 1.00 0.00 O ATOM 643 CB HIS A 41 6.198 25.721 2.103 1.00 0.00 C ATOM 644 CG HIS A 41 5.868 25.354 0.676 1.00 0.00 C ATOM 645 ND1 HIS A 41 5.186 26.160 -0.245 1.00 0.00 N ATOM 646 CD2 HIS A 41 6.175 24.166 0.074 1.00 0.00 C ATOM 647 CE1 HIS A 41 5.101 25.440 -1.375 1.00 0.00 C ATOM 648 NE2 HIS A 41 5.676 24.237 -1.210 1.00 0.00 N ATOM 0 H HIS A 41 9.103 25.473 2.244 1.00 0.00 H new ATOM 0 HA HIS A 41 7.160 27.620 1.782 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.403 24.806 2.658 1.00 0.00 H new ATOM 0 HB3 HIS A 41 5.318 26.178 2.556 1.00 0.00 H new ATOM 0 HD2 HIS A 41 6.704 23.335 0.517 1.00 0.00 H new ATOM 0 HE1 HIS A 41 4.636 25.780 -2.288 1.00 0.00 H new ATOM 0 HE2 HIS A 41 5.734 23.501 -1.914 1.00 0.00 H new ATOM 656 N ALA A 42 6.806 27.855 4.351 1.00 0.00 N ATOM 657 CA ALA A 42 6.867 28.238 5.762 1.00 0.00 C ATOM 658 C ALA A 42 5.463 28.445 6.377 1.00 0.00 C ATOM 659 O ALA A 42 4.536 28.907 5.707 1.00 0.00 O ATOM 660 CB ALA A 42 7.750 29.485 5.922 1.00 0.00 C ATOM 0 H ALA A 42 6.061 28.331 3.842 1.00 0.00 H new ATOM 0 HA ALA A 42 7.317 27.416 6.318 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.793 29.768 6.974 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.756 29.267 5.563 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.328 30.306 5.343 1.00 0.00 H new ATOM 666 N PHE A 43 5.327 28.102 7.661 1.00 0.00 N ATOM 667 CA PHE A 43 4.068 27.980 8.399 1.00 0.00 C ATOM 668 C PHE A 43 4.209 28.572 9.816 1.00 0.00 C ATOM 669 O PHE A 43 4.689 27.891 10.732 1.00 0.00 O ATOM 670 CB PHE A 43 3.652 26.500 8.417 1.00 0.00 C ATOM 671 CG PHE A 43 3.476 25.897 7.036 1.00 0.00 C ATOM 672 CD1 PHE A 43 2.270 26.093 6.326 1.00 0.00 C ATOM 673 CD2 PHE A 43 4.531 25.179 6.444 1.00 0.00 C ATOM 674 CE1 PHE A 43 2.135 25.572 5.030 1.00 0.00 C ATOM 675 CE2 PHE A 43 4.392 24.658 5.151 1.00 0.00 C ATOM 676 CZ PHE A 43 3.194 24.859 4.438 1.00 0.00 C ATOM 0 H PHE A 43 6.136 27.891 8.244 1.00 0.00 H new ATOM 0 HA PHE A 43 3.282 28.552 7.906 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.404 25.927 8.960 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.717 26.402 8.968 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.457 26.641 6.778 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.452 25.029 6.988 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.214 25.719 4.485 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.202 24.103 4.702 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.088 24.466 3.438 1.00 0.00 H new ATOM 686 N PRO A 44 3.829 29.855 10.018 1.00 0.00 N ATOM 687 CA PRO A 44 3.949 30.544 11.304 1.00 0.00 C ATOM 688 C PRO A 44 3.149 29.906 12.454 1.00 0.00 C ATOM 689 O PRO A 44 2.077 29.336 12.248 1.00 0.00 O ATOM 690 CB PRO A 44 3.533 31.996 11.050 1.00 0.00 C ATOM 691 CG PRO A 44 3.826 32.186 9.560 1.00 0.00 C ATOM 692 CD PRO A 44 3.469 30.818 8.985 1.00 0.00 C ATOM 0 HA PRO A 44 4.978 30.470 11.654 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.480 32.159 11.278 1.00 0.00 H new ATOM 0 HB3 PRO A 44 4.103 32.692 11.665 1.00 0.00 H new ATOM 0 HG2 PRO A 44 3.221 32.981 9.124 1.00 0.00 H new ATOM 0 HG3 PRO A 44 4.870 32.444 9.380 1.00 0.00 H new ATOM 0 HD2 PRO A 44 2.407 30.758 8.745 1.00 0.00 H new ATOM 0 HD3 PRO A 44 4.015 30.626 8.062 1.00 0.00 H new ATOM 700 N GLY A 45 3.668 30.027 13.674 1.00 0.00 N ATOM 701 CA GLY A 45 3.029 29.560 14.911 1.00 0.00 C ATOM 702 C GLY A 45 3.178 28.056 15.191 1.00 0.00 C ATOM 703 O GLY A 45 2.649 27.575 16.198 1.00 0.00 O ATOM 0 H GLY A 45 4.574 30.466 13.838 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.449 30.114 15.751 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.967 29.803 14.868 1.00 0.00 H new ATOM 707 N LEU A 46 3.874 27.301 14.330 1.00 0.00 N ATOM 708 CA LEU A 46 4.080 25.858 14.479 1.00 0.00 C ATOM 709 C LEU A 46 5.429 25.479 15.122 1.00 0.00 C ATOM 710 O LEU A 46 6.387 26.256 15.129 1.00 0.00 O ATOM 711 CB LEU A 46 3.915 25.144 13.119 1.00 0.00 C ATOM 712 CG LEU A 46 2.551 25.323 12.425 1.00 0.00 C ATOM 713 CD1 LEU A 46 2.493 24.434 11.184 1.00 0.00 C ATOM 714 CD2 LEU A 46 1.364 24.918 13.298 1.00 0.00 C ATOM 0 H LEU A 46 4.317 27.686 13.496 1.00 0.00 H new ATOM 0 HA LEU A 46 3.310 25.518 15.172 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.693 25.503 12.446 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.088 24.078 13.267 1.00 0.00 H new ATOM 0 HG LEU A 46 2.473 26.385 12.194 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.529 24.559 10.692 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.291 24.716 10.497 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.618 23.392 11.477 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.437 25.070 12.745 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.455 23.867 13.571 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.352 25.528 14.202 1.00 0.00 H new ATOM 726 N ALA A 47 5.507 24.235 15.600 1.00 0.00 N ATOM 727 CA ALA A 47 6.722 23.487 15.934 1.00 0.00 C ATOM 728 C ALA A 47 6.593 22.010 15.497 1.00 0.00 C ATOM 729 O ALA A 47 5.487 21.505 15.266 1.00 0.00 O ATOM 730 CB ALA A 47 7.008 23.621 17.438 1.00 0.00 C ATOM 0 H ALA A 47 4.666 23.686 15.776 1.00 0.00 H new ATOM 0 HA ALA A 47 7.569 23.904 15.389 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.912 23.065 17.687 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.148 24.672 17.690 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.168 23.221 18.005 1.00 0.00 H new ATOM 736 N ILE A 48 7.718 21.294 15.389 1.00 0.00 N ATOM 737 CA ILE A 48 7.726 19.851 15.077 1.00 0.00 C ATOM 738 C ILE A 48 7.265 19.058 16.310 1.00 0.00 C ATOM 739 O ILE A 48 7.864 19.157 17.383 1.00 0.00 O ATOM 740 CB ILE A 48 9.104 19.382 14.552 1.00 0.00 C ATOM 741 CG1 ILE A 48 9.539 20.148 13.277 1.00 0.00 C ATOM 742 CG2 ILE A 48 9.086 17.869 14.261 1.00 0.00 C ATOM 743 CD1 ILE A 48 11.057 20.105 13.043 1.00 0.00 C ATOM 0 H ILE A 48 8.649 21.693 15.514 1.00 0.00 H new ATOM 0 HA ILE A 48 7.023 19.661 14.266 1.00 0.00 H new ATOM 0 HB ILE A 48 9.829 19.597 15.337 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.031 19.722 12.412 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.218 21.187 13.356 1.00 0.00 H new ATOM 0 HG21 ILE A 48 10.064 17.558 13.893 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.853 17.325 15.176 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.329 17.652 13.508 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.301 20.658 12.136 1.00 0.00 H new ATOM 0 HD12 ILE A 48 11.569 20.557 13.893 1.00 0.00 H new ATOM 0 HD13 ILE A 48 11.379 19.069 12.934 1.00 0.00 H new ATOM 755 N GLY A 49 6.180 18.290 16.165 1.00 0.00 N ATOM 756 CA GLY A 49 5.526 17.571 17.267 1.00 0.00 C ATOM 757 C GLY A 49 5.931 16.101 17.375 1.00 0.00 C ATOM 758 O GLY A 49 6.272 15.635 18.460 1.00 0.00 O ATOM 0 H GLY A 49 5.723 18.147 15.264 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.762 18.073 18.206 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.446 17.631 17.136 1.00 0.00 H new ATOM 762 N ARG A 50 5.911 15.366 16.253 1.00 0.00 N ATOM 763 CA ARG A 50 6.192 13.921 16.188 1.00 0.00 C ATOM 764 C ARG A 50 6.859 13.521 14.871 1.00 0.00 C ATOM 765 O ARG A 50 6.564 14.089 13.821 1.00 0.00 O ATOM 766 CB ARG A 50 4.881 13.146 16.452 1.00 0.00 C ATOM 767 CG ARG A 50 5.032 11.618 16.446 1.00 0.00 C ATOM 768 CD ARG A 50 3.734 10.946 16.907 1.00 0.00 C ATOM 769 NE ARG A 50 3.850 9.479 16.845 1.00 0.00 N ATOM 770 CZ ARG A 50 3.552 8.689 15.831 1.00 0.00 C ATOM 771 NH1 ARG A 50 3.012 9.121 14.729 1.00 0.00 N1+ ATOM 772 NH2 ARG A 50 3.826 7.422 15.889 1.00 0.00 N ATOM 0 H ARG A 50 5.694 15.769 15.342 1.00 0.00 H new ATOM 0 HA ARG A 50 6.914 13.660 16.962 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.479 13.455 17.417 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.148 13.429 15.696 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.288 11.276 15.443 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.852 11.326 17.102 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.503 11.254 17.927 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.906 11.276 16.279 1.00 0.00 H new ATOM 0 HE ARG A 50 4.202 9.020 17.685 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.800 10.113 14.620 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.801 8.468 13.974 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.273 7.034 16.720 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.594 6.814 15.104 1.00 0.00 H new ATOM 786 N VAL A 51 7.733 12.519 14.946 1.00 0.00 N ATOM 787 CA VAL A 51 8.465 11.907 13.827 1.00 0.00 C ATOM 788 C VAL A 51 8.375 10.385 13.966 1.00 0.00 C ATOM 789 O VAL A 51 8.744 9.831 15.005 1.00 0.00 O ATOM 790 CB VAL A 51 9.935 12.377 13.807 1.00 0.00 C ATOM 791 CG1 VAL A 51 10.699 11.796 12.613 1.00 0.00 C ATOM 792 CG2 VAL A 51 10.074 13.905 13.755 1.00 0.00 C ATOM 0 H VAL A 51 7.966 12.084 15.839 1.00 0.00 H new ATOM 0 HA VAL A 51 8.019 12.215 12.882 1.00 0.00 H new ATOM 0 HB VAL A 51 10.360 12.013 14.743 1.00 0.00 H new ATOM 0 HG11 VAL A 51 11.730 12.150 12.634 1.00 0.00 H new ATOM 0 HG12 VAL A 51 10.688 10.707 12.669 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.224 12.117 11.686 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.130 14.174 13.743 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.593 14.284 12.853 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.598 14.344 14.632 1.00 0.00 H new ATOM 802 N ASP A 52 7.861 9.704 12.944 1.00 0.00 N ATOM 803 CA ASP A 52 7.518 8.274 12.964 1.00 0.00 C ATOM 804 C ASP A 52 8.233 7.531 11.825 1.00 0.00 C ATOM 805 O ASP A 52 7.776 7.501 10.678 1.00 0.00 O ATOM 806 CB ASP A 52 5.986 8.154 12.901 1.00 0.00 C ATOM 807 CG ASP A 52 5.448 6.723 13.057 1.00 0.00 C ATOM 808 OD1 ASP A 52 4.211 6.577 13.234 1.00 0.00 O ATOM 809 OD2 ASP A 52 6.230 5.745 13.070 1.00 0.00 O1- ATOM 0 H ASP A 52 7.663 10.143 12.045 1.00 0.00 H new ATOM 0 HA ASP A 52 7.862 7.800 13.883 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.554 8.778 13.683 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.642 8.555 11.947 1.00 0.00 H new ATOM 814 N LEU A 53 9.393 6.947 12.141 1.00 0.00 N ATOM 815 CA LEU A 53 10.326 6.340 11.186 1.00 0.00 C ATOM 816 C LEU A 53 9.844 4.979 10.646 1.00 0.00 C ATOM 817 O LEU A 53 10.439 4.442 9.711 1.00 0.00 O ATOM 818 CB LEU A 53 11.723 6.213 11.826 1.00 0.00 C ATOM 819 CG LEU A 53 12.465 7.499 12.257 1.00 0.00 C ATOM 820 CD1 LEU A 53 12.465 8.572 11.172 1.00 0.00 C ATOM 821 CD2 LEU A 53 11.974 8.120 13.570 1.00 0.00 C ATOM 0 H LEU A 53 9.720 6.881 13.105 1.00 0.00 H new ATOM 0 HA LEU A 53 10.378 7.004 10.323 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.626 5.577 12.706 1.00 0.00 H new ATOM 0 HB3 LEU A 53 12.363 5.684 11.120 1.00 0.00 H new ATOM 0 HG LEU A 53 13.483 7.147 12.427 1.00 0.00 H new ATOM 0 HD11 LEU A 53 13.000 9.452 11.530 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.957 8.187 10.279 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.438 8.845 10.930 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.555 9.016 13.788 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.921 8.384 13.476 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.097 7.402 14.381 1.00 0.00 H new ATOM 833 N ARG A 54 8.763 4.420 11.211 1.00 0.00 N ATOM 834 CA ARG A 54 8.105 3.189 10.724 1.00 0.00 C ATOM 835 C ARG A 54 7.496 3.354 9.322 1.00 0.00 C ATOM 836 O ARG A 54 7.310 2.371 8.603 1.00 0.00 O ATOM 837 CB ARG A 54 7.010 2.752 11.714 1.00 0.00 C ATOM 838 CG ARG A 54 7.481 2.625 13.172 1.00 0.00 C ATOM 839 CD ARG A 54 6.296 2.213 14.053 1.00 0.00 C ATOM 840 NE ARG A 54 6.571 2.414 15.487 1.00 0.00 N ATOM 841 CZ ARG A 54 6.346 3.528 16.168 1.00 0.00 C ATOM 842 NH1 ARG A 54 6.037 4.656 15.610 1.00 0.00 N1+ ATOM 843 NH2 ARG A 54 6.421 3.568 17.463 1.00 0.00 N ATOM 0 H ARG A 54 8.310 4.815 12.035 1.00 0.00 H new ATOM 0 HA ARG A 54 8.878 2.423 10.653 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.192 3.471 11.671 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.608 1.792 11.391 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.278 1.885 13.246 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.893 3.573 13.517 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.416 2.791 13.769 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.060 1.164 13.874 1.00 0.00 H new ATOM 0 HE ARG A 54 6.969 1.627 16.000 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.956 4.718 14.595 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.875 5.482 16.186 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.659 2.725 17.986 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.242 4.442 17.957 1.00 0.00 H new ATOM 857 N SER A 55 7.185 4.597 8.941 1.00 0.00 N ATOM 858 CA SER A 55 6.619 4.994 7.634 1.00 0.00 C ATOM 859 C SER A 55 7.261 6.266 7.047 1.00 0.00 C ATOM 860 O SER A 55 7.217 6.489 5.833 1.00 0.00 O ATOM 861 CB SER A 55 5.102 5.166 7.809 1.00 0.00 C ATOM 862 OG SER A 55 4.455 5.534 6.602 1.00 0.00 O ATOM 0 H SER A 55 7.325 5.396 9.559 1.00 0.00 H new ATOM 0 HA SER A 55 6.839 4.209 6.910 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.674 4.234 8.177 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.911 5.926 8.567 1.00 0.00 H new ATOM 0 HG SER A 55 4.793 4.980 5.868 1.00 0.00 H new ATOM 868 N GLY A 56 7.886 7.107 7.879 1.00 0.00 N ATOM 869 CA GLY A 56 8.397 8.428 7.487 1.00 0.00 C ATOM 870 C GLY A 56 7.336 9.529 7.564 1.00 0.00 C ATOM 871 O GLY A 56 7.297 10.403 6.699 1.00 0.00 O ATOM 0 H GLY A 56 8.054 6.886 8.860 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.235 8.693 8.132 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.783 8.374 6.469 1.00 0.00 H new ATOM 875 N VAL A 57 6.447 9.476 8.559 1.00 0.00 N ATOM 876 CA VAL A 57 5.459 10.540 8.834 1.00 0.00 C ATOM 877 C VAL A 57 6.052 11.567 9.803 1.00 0.00 C ATOM 878 O VAL A 57 6.684 11.202 10.799 1.00 0.00 O ATOM 879 CB VAL A 57 4.129 9.976 9.365 1.00 0.00 C ATOM 880 CG1 VAL A 57 3.119 11.075 9.720 1.00 0.00 C ATOM 881 CG2 VAL A 57 3.457 9.068 8.329 1.00 0.00 C ATOM 0 H VAL A 57 6.386 8.690 9.206 1.00 0.00 H new ATOM 0 HA VAL A 57 5.231 11.036 7.890 1.00 0.00 H new ATOM 0 HB VAL A 57 4.394 9.418 10.263 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.200 10.619 10.089 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.539 11.720 10.492 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.899 11.668 8.832 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.520 8.685 8.734 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.255 9.638 7.422 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.118 8.234 8.093 1.00 0.00 H new ATOM 891 N ILE A 58 5.812 12.851 9.532 1.00 0.00 N ATOM 892 CA ILE A 58 6.145 13.986 10.402 1.00 0.00 C ATOM 893 C ILE A 58 4.865 14.792 10.677 1.00 0.00 C ATOM 894 O ILE A 58 4.142 15.152 9.746 1.00 0.00 O ATOM 895 CB ILE A 58 7.279 14.827 9.775 1.00 0.00 C ATOM 896 CG1 ILE A 58 8.576 13.985 9.709 1.00 0.00 C ATOM 897 CG2 ILE A 58 7.496 16.141 10.558 1.00 0.00 C ATOM 898 CD1 ILE A 58 9.781 14.700 9.090 1.00 0.00 C ATOM 0 H ILE A 58 5.362 13.143 8.665 1.00 0.00 H new ATOM 0 HA ILE A 58 6.526 13.639 11.363 1.00 0.00 H new ATOM 0 HB ILE A 58 6.994 15.104 8.760 1.00 0.00 H new ATOM 0 HG12 ILE A 58 8.839 13.670 10.719 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.375 13.080 9.135 1.00 0.00 H new ATOM 0 HG21 ILE A 58 8.300 16.712 10.094 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.578 16.729 10.544 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.763 15.910 11.589 1.00 0.00 H new ATOM 0 HD11 ILE A 58 10.640 14.030 9.088 1.00 0.00 H new ATOM 0 HD12 ILE A 58 9.545 14.990 8.066 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.016 15.589 9.675 1.00 0.00 H new ATOM 910 N SER A 59 4.589 15.085 11.945 1.00 0.00 N ATOM 911 CA SER A 59 3.381 15.794 12.396 1.00 0.00 C ATOM 912 C SER A 59 3.747 17.064 13.153 1.00 0.00 C ATOM 913 O SER A 59 4.544 17.025 14.096 1.00 0.00 O ATOM 914 CB SER A 59 2.516 14.903 13.296 1.00 0.00 C ATOM 915 OG SER A 59 2.203 13.667 12.671 1.00 0.00 O ATOM 0 H SER A 59 5.212 14.832 12.712 1.00 0.00 H new ATOM 0 HA SER A 59 2.811 16.057 11.505 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.041 14.714 14.232 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.594 15.427 13.547 1.00 0.00 H new ATOM 0 HG SER A 59 1.653 13.125 13.274 1.00 0.00 H new ATOM 921 N LEU A 60 3.161 18.199 12.753 1.00 0.00 N ATOM 922 CA LEU A 60 3.383 19.497 13.395 1.00 0.00 C ATOM 923 C LEU A 60 2.316 19.817 14.456 1.00 0.00 C ATOM 924 O LEU A 60 1.174 19.355 14.382 1.00 0.00 O ATOM 925 CB LEU A 60 3.502 20.607 12.331 1.00 0.00 C ATOM 926 CG LEU A 60 4.515 20.345 11.197 1.00 0.00 C ATOM 927 CD1 LEU A 60 4.658 21.604 10.340 1.00 0.00 C ATOM 928 CD2 LEU A 60 5.918 19.987 11.701 1.00 0.00 C ATOM 0 H LEU A 60 2.513 18.241 11.966 1.00 0.00 H new ATOM 0 HA LEU A 60 4.329 19.446 13.935 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.520 20.764 11.886 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.777 21.535 12.831 1.00 0.00 H new ATOM 0 HG LEU A 60 4.122 19.498 10.635 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.374 21.419 9.539 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.691 21.863 9.910 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.012 22.428 10.960 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.578 19.816 10.850 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.308 20.807 12.304 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.867 19.083 12.308 1.00 0.00 H new ATOM 940 N ILE A 61 2.697 20.645 15.427 1.00 0.00 N ATOM 941 CA ILE A 61 1.869 21.180 16.517 1.00 0.00 C ATOM 942 C ILE A 61 1.904 22.711 16.496 1.00 0.00 C ATOM 943 O ILE A 61 2.814 23.300 15.912 1.00 0.00 O ATOM 944 CB ILE A 61 2.360 20.656 17.885 1.00 0.00 C ATOM 945 CG1 ILE A 61 3.853 20.957 18.132 1.00 0.00 C ATOM 946 CG2 ILE A 61 2.026 19.158 18.030 1.00 0.00 C ATOM 947 CD1 ILE A 61 4.183 21.027 19.620 1.00 0.00 C ATOM 0 H ILE A 61 3.657 20.986 15.481 1.00 0.00 H new ATOM 0 HA ILE A 61 0.843 20.843 16.369 1.00 0.00 H new ATOM 0 HB ILE A 61 1.825 21.197 18.665 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.461 20.184 17.662 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.116 21.902 17.657 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.376 18.799 18.998 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.947 19.017 17.960 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.518 18.597 17.235 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.244 21.241 19.748 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.595 21.817 20.086 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.946 20.073 20.091 1.00 0.00 H new ATOM 959 N GLU A 62 0.973 23.377 17.181 1.00 0.00 N ATOM 960 CA GLU A 62 1.191 24.777 17.563 1.00 0.00 C ATOM 961 C GLU A 62 2.308 24.848 18.621 1.00 0.00 C ATOM 962 O GLU A 62 2.320 24.056 19.570 1.00 0.00 O ATOM 963 CB GLU A 62 -0.080 25.446 18.109 1.00 0.00 C ATOM 964 CG GLU A 62 -1.344 25.258 17.248 1.00 0.00 C ATOM 965 CD GLU A 62 -2.051 23.897 17.439 1.00 0.00 C ATOM 966 OE1 GLU A 62 -1.881 23.239 18.497 1.00 0.00 O ATOM 967 OE2 GLU A 62 -2.800 23.477 16.521 1.00 0.00 O1- ATOM 0 H GLU A 62 0.080 22.983 17.478 1.00 0.00 H new ATOM 0 HA GLU A 62 1.479 25.321 16.663 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.278 25.053 19.106 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.110 26.514 18.219 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.049 26.056 17.481 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.073 25.369 16.198 1.00 0.00 H new ATOM 974 N GLU A 63 3.246 25.788 18.488 1.00 0.00 N ATOM 975 CA GLU A 63 4.365 25.907 19.446 1.00 0.00 C ATOM 976 C GLU A 63 3.911 26.395 20.838 1.00 0.00 C ATOM 977 O GLU A 63 4.573 26.120 21.843 1.00 0.00 O ATOM 978 CB GLU A 63 5.469 26.801 18.855 1.00 0.00 C ATOM 979 CG GLU A 63 5.060 28.273 18.720 1.00 0.00 C ATOM 980 CD GLU A 63 6.135 29.139 18.034 1.00 0.00 C ATOM 981 OE1 GLU A 63 5.759 30.078 17.289 1.00 0.00 O ATOM 982 OE2 GLU A 63 7.354 28.934 18.256 1.00 0.00 O1- ATOM 0 H GLU A 63 3.260 26.476 17.735 1.00 0.00 H new ATOM 0 HA GLU A 63 4.773 24.909 19.605 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.355 26.735 19.486 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.748 26.419 17.873 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.133 28.336 18.150 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.853 28.679 19.710 1.00 0.00 H new ATOM 1115 N MET B 3 17.565 3.656 10.192 1.00 0.00 N ATOM 1116 CA MET B 3 16.442 4.462 9.671 1.00 0.00 C ATOM 1117 C MET B 3 16.625 5.969 9.930 1.00 0.00 C ATOM 1118 O MET B 3 16.478 6.787 9.019 1.00 0.00 O ATOM 1119 CB MET B 3 15.111 4.018 10.303 1.00 0.00 C ATOM 1120 CG MET B 3 14.736 2.539 10.129 1.00 0.00 C ATOM 1121 SD MET B 3 15.631 1.309 11.137 1.00 0.00 S ATOM 1122 CE MET B 3 15.390 1.954 12.811 1.00 0.00 C ATOM 0 HA MET B 3 16.426 4.295 8.594 1.00 0.00 H new ATOM 0 HB2 MET B 3 15.148 4.238 11.370 1.00 0.00 H new ATOM 0 HB3 MET B 3 14.311 4.626 9.880 1.00 0.00 H new ATOM 0 HG2 MET B 3 13.672 2.436 10.342 1.00 0.00 H new ATOM 0 HG3 MET B 3 14.878 2.279 9.080 1.00 0.00 H new ATOM 0 HE1 MET B 3 15.678 1.195 13.538 1.00 0.00 H new ATOM 0 HE2 MET B 3 16.006 2.842 12.951 1.00 0.00 H new ATOM 0 HE3 MET B 3 14.341 2.214 12.953 1.00 0.00 H new ATOM 1132 N ALA B 4 16.962 6.315 11.174 1.00 0.00 N ATOM 1133 CA ALA B 4 17.378 7.651 11.611 1.00 0.00 C ATOM 1134 C ALA B 4 18.142 7.567 12.950 1.00 0.00 C ATOM 1135 O ALA B 4 18.139 6.527 13.617 1.00 0.00 O ATOM 1136 CB ALA B 4 16.140 8.561 11.746 1.00 0.00 C ATOM 0 H ALA B 4 16.952 5.641 11.940 1.00 0.00 H new ATOM 0 HA ALA B 4 18.049 8.077 10.866 1.00 0.00 H new ATOM 0 HB1 ALA B 4 16.452 9.554 12.071 1.00 0.00 H new ATOM 0 HB2 ALA B 4 15.637 8.636 10.782 1.00 0.00 H new ATOM 0 HB3 ALA B 4 15.455 8.137 12.481 1.00 0.00 H new ATOM 1142 N LYS B 5 18.736 8.693 13.363 1.00 0.00 N ATOM 1143 CA LYS B 5 19.298 8.914 14.707 1.00 0.00 C ATOM 1144 C LYS B 5 18.897 10.278 15.278 1.00 0.00 C ATOM 1145 O LYS B 5 18.652 11.222 14.528 1.00 0.00 O ATOM 1146 CB LYS B 5 20.826 8.703 14.703 1.00 0.00 C ATOM 1147 CG LYS B 5 21.616 9.774 13.930 1.00 0.00 C ATOM 1148 CD LYS B 5 23.124 9.575 14.134 1.00 0.00 C ATOM 1149 CE LYS B 5 23.922 10.706 13.475 1.00 0.00 C ATOM 1150 NZ LYS B 5 25.353 10.635 13.852 1.00 0.00 N1+ ATOM 0 H LYS B 5 18.844 9.504 12.753 1.00 0.00 H new ATOM 0 HA LYS B 5 18.869 8.169 15.377 1.00 0.00 H new ATOM 0 HB2 LYS B 5 21.180 8.682 15.734 1.00 0.00 H new ATOM 0 HB3 LYS B 5 21.044 7.726 14.271 1.00 0.00 H new ATOM 0 HG2 LYS B 5 21.375 9.718 12.868 1.00 0.00 H new ATOM 0 HG3 LYS B 5 21.324 10.767 14.271 1.00 0.00 H new ATOM 0 HD2 LYS B 5 23.349 9.540 15.200 1.00 0.00 H new ATOM 0 HD3 LYS B 5 23.428 8.617 13.712 1.00 0.00 H new ATOM 0 HE2 LYS B 5 23.824 10.642 12.391 1.00 0.00 H new ATOM 0 HE3 LYS B 5 23.510 11.669 13.776 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 25.894 11.323 13.291 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 25.457 10.855 14.863 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 25.714 9.677 13.667 1.00 0.00 H new ATOM 1164 N VAL B 6 18.864 10.381 16.608 1.00 0.00 N ATOM 1165 CA VAL B 6 18.659 11.631 17.363 1.00 0.00 C ATOM 1166 C VAL B 6 20.001 12.183 17.848 1.00 0.00 C ATOM 1167 O VAL B 6 20.886 11.404 18.203 1.00 0.00 O ATOM 1168 CB VAL B 6 17.690 11.409 18.544 1.00 0.00 C ATOM 1169 CG1 VAL B 6 17.551 12.609 19.485 1.00 0.00 C ATOM 1170 CG2 VAL B 6 16.288 11.076 18.032 1.00 0.00 C ATOM 0 H VAL B 6 18.983 9.571 17.216 1.00 0.00 H new ATOM 0 HA VAL B 6 18.206 12.367 16.698 1.00 0.00 H new ATOM 0 HB VAL B 6 18.130 10.586 19.107 1.00 0.00 H new ATOM 0 HG11 VAL B 6 16.852 12.365 20.285 1.00 0.00 H new ATOM 0 HG12 VAL B 6 18.524 12.849 19.914 1.00 0.00 H new ATOM 0 HG13 VAL B 6 17.178 13.468 18.927 1.00 0.00 H new ATOM 0 HG21 VAL B 6 15.618 10.923 18.878 1.00 0.00 H new ATOM 0 HG22 VAL B 6 15.918 11.900 17.421 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.326 10.168 17.431 1.00 0.00 H new ATOM 1180 N VAL B 7 20.136 13.511 17.914 1.00 0.00 N ATOM 1181 CA VAL B 7 21.271 14.221 18.518 1.00 0.00 C ATOM 1182 C VAL B 7 20.796 15.424 19.347 1.00 0.00 C ATOM 1183 O VAL B 7 19.863 16.135 18.964 1.00 0.00 O ATOM 1184 CB VAL B 7 22.319 14.602 17.445 1.00 0.00 C ATOM 1185 CG1 VAL B 7 21.780 15.530 16.344 1.00 0.00 C ATOM 1186 CG2 VAL B 7 23.554 15.259 18.070 1.00 0.00 C ATOM 0 H VAL B 7 19.433 14.145 17.535 1.00 0.00 H new ATOM 0 HA VAL B 7 21.770 13.548 19.215 1.00 0.00 H new ATOM 0 HB VAL B 7 22.587 13.653 16.980 1.00 0.00 H new ATOM 0 HG11 VAL B 7 22.575 15.750 15.632 1.00 0.00 H new ATOM 0 HG12 VAL B 7 20.955 15.040 15.827 1.00 0.00 H new ATOM 0 HG13 VAL B 7 21.427 16.459 16.792 1.00 0.00 H new ATOM 0 HG21 VAL B 7 24.267 15.512 17.286 1.00 0.00 H new ATOM 0 HG22 VAL B 7 23.256 16.166 18.597 1.00 0.00 H new ATOM 0 HG23 VAL B 7 24.018 14.567 18.773 1.00 0.00 H new ATOM 1196 N LEU B 8 21.433 15.635 20.500 1.00 0.00 N ATOM 1197 CA LEU B 8 21.092 16.673 21.484 1.00 0.00 C ATOM 1198 C LEU B 8 22.326 17.190 22.244 1.00 0.00 C ATOM 1199 O LEU B 8 23.332 16.488 22.370 1.00 0.00 O ATOM 1200 CB LEU B 8 20.015 16.137 22.458 1.00 0.00 C ATOM 1201 CG LEU B 8 20.426 14.912 23.306 1.00 0.00 C ATOM 1202 CD1 LEU B 8 19.874 15.007 24.726 1.00 0.00 C ATOM 1203 CD2 LEU B 8 19.905 13.603 22.705 1.00 0.00 C ATOM 0 H LEU B 8 22.231 15.068 20.788 1.00 0.00 H new ATOM 0 HA LEU B 8 20.688 17.528 20.942 1.00 0.00 H new ATOM 0 HB2 LEU B 8 19.729 16.943 23.133 1.00 0.00 H new ATOM 0 HB3 LEU B 8 19.128 15.875 21.881 1.00 0.00 H new ATOM 0 HG LEU B 8 21.516 14.912 23.318 1.00 0.00 H new ATOM 0 HD11 LEU B 8 20.182 14.130 25.295 1.00 0.00 H new ATOM 0 HD12 LEU B 8 20.260 15.906 25.207 1.00 0.00 H new ATOM 0 HD13 LEU B 8 18.786 15.053 24.691 1.00 0.00 H new ATOM 0 HD21 LEU B 8 20.215 12.766 23.331 1.00 0.00 H new ATOM 0 HD22 LEU B 8 18.817 13.634 22.654 1.00 0.00 H new ATOM 0 HD23 LEU B 8 20.312 13.476 21.702 1.00 0.00 H new ATOM 1215 N THR B 9 22.219 18.403 22.796 1.00 0.00 N ATOM 1216 CA THR B 9 23.231 19.029 23.672 1.00 0.00 C ATOM 1217 C THR B 9 22.693 19.166 25.102 1.00 0.00 C ATOM 1218 O THR B 9 21.581 19.660 25.308 1.00 0.00 O ATOM 1219 CB THR B 9 23.674 20.404 23.142 1.00 0.00 C ATOM 1220 OG1 THR B 9 23.988 20.352 21.765 1.00 0.00 O ATOM 1221 CG2 THR B 9 24.930 20.915 23.838 1.00 0.00 C ATOM 0 H THR B 9 21.405 18.999 22.645 1.00 0.00 H new ATOM 0 HA THR B 9 24.104 18.376 23.678 1.00 0.00 H new ATOM 0 HB THR B 9 22.830 21.066 23.335 1.00 0.00 H new ATOM 0 HG1 THR B 9 24.264 21.241 21.459 1.00 0.00 H new ATOM 0 HG21 THR B 9 25.202 21.888 23.429 1.00 0.00 H new ATOM 0 HG22 THR B 9 24.740 21.011 24.907 1.00 0.00 H new ATOM 0 HG23 THR B 9 25.747 20.212 23.676 1.00 0.00 H new ATOM 1229 N LYS B 10 23.479 18.735 26.093 1.00 0.00 N ATOM 1230 CA LYS B 10 23.147 18.794 27.531 1.00 0.00 C ATOM 1231 C LYS B 10 23.404 20.178 28.144 1.00 0.00 C ATOM 1232 O LYS B 10 24.215 20.956 27.630 1.00 0.00 O ATOM 1233 CB LYS B 10 23.971 17.731 28.283 1.00 0.00 C ATOM 1234 CG LYS B 10 23.648 16.289 27.867 1.00 0.00 C ATOM 1235 CD LYS B 10 24.249 15.272 28.855 1.00 0.00 C ATOM 1236 CE LYS B 10 25.783 15.232 28.800 1.00 0.00 C ATOM 1237 NZ LYS B 10 26.353 14.623 30.030 1.00 0.00 N1+ ATOM 0 H LYS B 10 24.395 18.321 25.917 1.00 0.00 H new ATOM 0 HA LYS B 10 22.080 18.596 27.630 1.00 0.00 H new ATOM 0 HB2 LYS B 10 25.031 17.919 28.113 1.00 0.00 H new ATOM 0 HB3 LYS B 10 23.795 17.839 29.353 1.00 0.00 H new ATOM 0 HG2 LYS B 10 22.567 16.156 27.818 1.00 0.00 H new ATOM 0 HG3 LYS B 10 24.038 16.101 26.867 1.00 0.00 H new ATOM 0 HD2 LYS B 10 23.932 15.523 29.867 1.00 0.00 H new ATOM 0 HD3 LYS B 10 23.855 14.280 28.634 1.00 0.00 H new ATOM 0 HE2 LYS B 10 26.103 14.662 27.928 1.00 0.00 H new ATOM 0 HE3 LYS B 10 26.171 16.243 28.679 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 27.350 14.377 29.866 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 26.289 15.302 30.815 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 25.820 13.763 30.271 1.00 0.00 H new ATOM 1251 N ALA B 11 22.827 20.417 29.324 1.00 0.00 N ATOM 1252 CA ALA B 11 23.181 21.552 30.187 1.00 0.00 C ATOM 1253 C ALA B 11 24.650 21.498 30.680 1.00 0.00 C ATOM 1254 O ALA B 11 25.228 22.526 31.034 1.00 0.00 O ATOM 1255 CB ALA B 11 22.200 21.586 31.370 1.00 0.00 C ATOM 0 H ALA B 11 22.094 19.824 29.713 1.00 0.00 H new ATOM 0 HA ALA B 11 23.101 22.469 29.603 1.00 0.00 H new ATOM 0 HB1 ALA B 11 22.447 22.423 32.023 1.00 0.00 H new ATOM 0 HB2 ALA B 11 21.183 21.705 30.996 1.00 0.00 H new ATOM 0 HB3 ALA B 11 22.274 20.654 31.931 1.00 0.00 H new ATOM 1261 N ASP B 12 25.275 20.315 30.655 1.00 0.00 N ATOM 1262 CA ASP B 12 26.712 20.110 30.917 1.00 0.00 C ATOM 1263 C ASP B 12 27.641 20.676 29.809 1.00 0.00 C ATOM 1264 O ASP B 12 28.863 20.728 29.985 1.00 0.00 O ATOM 1265 CB ASP B 12 26.998 18.601 31.065 1.00 0.00 C ATOM 1266 CG ASP B 12 26.196 17.859 32.148 1.00 0.00 C ATOM 1267 OD1 ASP B 12 26.016 16.623 31.993 1.00 0.00 O ATOM 1268 OD2 ASP B 12 25.768 18.466 33.160 1.00 0.00 O1- ATOM 0 H ASP B 12 24.784 19.446 30.446 1.00 0.00 H new ATOM 0 HA ASP B 12 26.932 20.657 31.834 1.00 0.00 H new ATOM 0 HB2 ASP B 12 26.804 18.120 30.106 1.00 0.00 H new ATOM 0 HB3 ASP B 12 28.059 18.473 31.277 1.00 0.00 H new ATOM 1273 N GLY B 13 27.087 21.062 28.651 1.00 0.00 N ATOM 1274 CA GLY B 13 27.825 21.458 27.440 1.00 0.00 C ATOM 1275 C GLY B 13 28.297 20.287 26.558 1.00 0.00 C ATOM 1276 O GLY B 13 28.735 20.507 25.426 1.00 0.00 O ATOM 0 H GLY B 13 26.076 21.109 28.526 1.00 0.00 H new ATOM 0 HA2 GLY B 13 27.190 22.111 26.842 1.00 0.00 H new ATOM 0 HA3 GLY B 13 28.695 22.044 27.737 1.00 0.00 H new ATOM 1280 N GLY B 14 28.188 19.044 27.045 1.00 0.00 N ATOM 1281 CA GLY B 14 28.418 17.813 26.274 1.00 0.00 C ATOM 1282 C GLY B 14 27.239 17.447 25.362 1.00 0.00 C ATOM 1283 O GLY B 14 26.162 18.040 25.452 1.00 0.00 O ATOM 0 H GLY B 14 27.930 18.861 28.015 1.00 0.00 H new ATOM 0 HA2 GLY B 14 29.316 17.933 25.667 1.00 0.00 H new ATOM 0 HA3 GLY B 14 28.607 16.989 26.963 1.00 0.00 H new ATOM 1287 N ARG B 15 27.429 16.450 24.491 1.00 0.00 N ATOM 1288 CA ARG B 15 26.422 15.978 23.517 1.00 0.00 C ATOM 1289 C ARG B 15 26.141 14.478 23.630 1.00 0.00 C ATOM 1290 O ARG B 15 27.005 13.702 24.048 1.00 0.00 O ATOM 1291 CB ARG B 15 26.835 16.384 22.088 1.00 0.00 C ATOM 1292 CG ARG B 15 26.594 17.877 21.862 1.00 0.00 C ATOM 1293 CD ARG B 15 26.911 18.324 20.429 1.00 0.00 C ATOM 1294 NE ARG B 15 26.355 19.668 20.201 1.00 0.00 N ATOM 1295 CZ ARG B 15 26.675 20.538 19.261 1.00 0.00 C ATOM 1296 NH1 ARG B 15 27.608 20.304 18.380 1.00 0.00 N1+ ATOM 1297 NH2 ARG B 15 26.044 21.676 19.197 1.00 0.00 N ATOM 0 H ARG B 15 28.306 15.932 24.437 1.00 0.00 H new ATOM 0 HA ARG B 15 25.478 16.468 23.756 1.00 0.00 H new ATOM 0 HB2 ARG B 15 27.888 16.152 21.928 1.00 0.00 H new ATOM 0 HB3 ARG B 15 26.267 15.804 21.361 1.00 0.00 H new ATOM 0 HG2 ARG B 15 25.553 18.110 22.088 1.00 0.00 H new ATOM 0 HG3 ARG B 15 27.207 18.448 22.559 1.00 0.00 H new ATOM 0 HD2 ARG B 15 27.989 18.333 20.269 1.00 0.00 H new ATOM 0 HD3 ARG B 15 26.489 17.618 19.714 1.00 0.00 H new ATOM 0 HE ARG B 15 25.629 19.965 20.853 1.00 0.00 H new ATOM 0 HH11 ARG B 15 28.120 19.422 18.402 1.00 0.00 H new ATOM 0 HH12 ARG B 15 27.825 21.003 17.669 1.00 0.00 H new ATOM 0 HH21 ARG B 15 25.308 21.890 19.870 1.00 0.00 H new ATOM 0 HH22 ARG B 15 26.286 22.353 18.474 1.00 0.00 H new ATOM 1311 N VAL B 16 24.924 14.086 23.254 1.00 0.00 N ATOM 1312 CA VAL B 16 24.376 12.719 23.328 1.00 0.00 C ATOM 1313 C VAL B 16 23.654 12.376 22.016 1.00 0.00 C ATOM 1314 O VAL B 16 23.036 13.243 21.394 1.00 0.00 O ATOM 1315 CB VAL B 16 23.448 12.552 24.558 1.00 0.00 C ATOM 1316 CG1 VAL B 16 22.802 11.162 24.649 1.00 0.00 C ATOM 1317 CG2 VAL B 16 24.211 12.786 25.872 1.00 0.00 C ATOM 0 H VAL B 16 24.250 14.747 22.867 1.00 0.00 H new ATOM 0 HA VAL B 16 25.199 12.016 23.458 1.00 0.00 H new ATOM 0 HB VAL B 16 22.667 13.299 24.419 1.00 0.00 H new ATOM 0 HG11 VAL B 16 22.165 11.114 25.533 1.00 0.00 H new ATOM 0 HG12 VAL B 16 22.201 10.981 23.758 1.00 0.00 H new ATOM 0 HG13 VAL B 16 23.581 10.403 24.721 1.00 0.00 H new ATOM 0 HG21 VAL B 16 23.531 12.661 26.715 1.00 0.00 H new ATOM 0 HG22 VAL B 16 25.025 12.066 25.953 1.00 0.00 H new ATOM 0 HG23 VAL B 16 24.618 13.797 25.881 1.00 0.00 H new ATOM 1327 N GLU B 17 23.721 11.110 21.597 1.00 0.00 N ATOM 1328 CA GLU B 17 23.085 10.579 20.380 1.00 0.00 C ATOM 1329 C GLU B 17 22.356 9.250 20.645 1.00 0.00 C ATOM 1330 O GLU B 17 22.793 8.460 21.492 1.00 0.00 O ATOM 1331 CB GLU B 17 24.116 10.392 19.254 1.00 0.00 C ATOM 1332 CG GLU B 17 24.779 11.695 18.797 1.00 0.00 C ATOM 1333 CD GLU B 17 25.822 11.465 17.686 1.00 0.00 C ATOM 1334 OE1 GLU B 17 25.481 10.891 16.622 1.00 0.00 O ATOM 1335 OE2 GLU B 17 26.999 11.881 17.850 1.00 0.00 O1- ATOM 0 H GLU B 17 24.238 10.397 22.112 1.00 0.00 H new ATOM 0 HA GLU B 17 22.345 11.315 20.066 1.00 0.00 H new ATOM 0 HB2 GLU B 17 24.889 9.702 19.593 1.00 0.00 H new ATOM 0 HB3 GLU B 17 23.626 9.926 18.399 1.00 0.00 H new ATOM 0 HG2 GLU B 17 24.013 12.382 18.436 1.00 0.00 H new ATOM 0 HG3 GLU B 17 25.260 12.173 19.650 1.00 0.00 H new ATOM 1342 N ILE B 18 21.275 8.978 19.908 1.00 0.00 N ATOM 1343 CA ILE B 18 20.477 7.738 19.980 1.00 0.00 C ATOM 1344 C ILE B 18 20.254 7.198 18.563 1.00 0.00 C ATOM 1345 O ILE B 18 19.574 7.840 17.757 1.00 0.00 O ATOM 1346 CB ILE B 18 19.124 7.941 20.714 1.00 0.00 C ATOM 1347 CG1 ILE B 18 19.253 8.602 22.107 1.00 0.00 C ATOM 1348 CG2 ILE B 18 18.416 6.584 20.880 1.00 0.00 C ATOM 1349 CD1 ILE B 18 19.072 10.124 22.051 1.00 0.00 C ATOM 0 H ILE B 18 20.914 9.636 19.218 1.00 0.00 H new ATOM 0 HA ILE B 18 21.037 7.011 20.568 1.00 0.00 H new ATOM 0 HB ILE B 18 18.547 8.623 20.090 1.00 0.00 H new ATOM 0 HG12 ILE B 18 18.509 8.175 22.779 1.00 0.00 H new ATOM 0 HG13 ILE B 18 20.232 8.370 22.527 1.00 0.00 H new ATOM 0 HG21 ILE B 18 17.467 6.730 21.395 1.00 0.00 H new ATOM 0 HG22 ILE B 18 18.233 6.147 19.899 1.00 0.00 H new ATOM 0 HG23 ILE B 18 19.047 5.914 21.464 1.00 0.00 H new ATOM 0 HD11 ILE B 18 19.172 10.539 23.054 1.00 0.00 H new ATOM 0 HD12 ILE B 18 19.833 10.557 21.401 1.00 0.00 H new ATOM 0 HD13 ILE B 18 18.083 10.359 21.658 1.00 0.00 H new ATOM 1361 N GLY B 19 20.819 6.032 18.243 1.00 0.00 N ATOM 1362 CA GLY B 19 20.709 5.390 16.928 1.00 0.00 C ATOM 1363 C GLY B 19 19.487 4.478 16.762 1.00 0.00 C ATOM 1364 O GLY B 19 18.860 4.066 17.741 1.00 0.00 O ATOM 0 H GLY B 19 21.379 5.494 18.905 1.00 0.00 H new ATOM 0 HA2 GLY B 19 20.674 6.165 16.162 1.00 0.00 H new ATOM 0 HA3 GLY B 19 21.610 4.804 16.748 1.00 0.00 H new ATOM 1368 N ASP B 20 19.166 4.148 15.508 1.00 0.00 N ATOM 1369 CA ASP B 20 18.099 3.217 15.106 1.00 0.00 C ATOM 1370 C ASP B 20 16.719 3.551 15.709 1.00 0.00 C ATOM 1371 O ASP B 20 16.034 2.675 16.238 1.00 0.00 O ATOM 1372 CB ASP B 20 18.517 1.740 15.315 1.00 0.00 C ATOM 1373 CG ASP B 20 19.935 1.416 14.832 1.00 0.00 C ATOM 1374 OD1 ASP B 20 20.124 1.304 13.600 1.00 0.00 O ATOM 1375 OD2 ASP B 20 20.851 1.259 15.676 1.00 0.00 O1- ATOM 0 H ASP B 20 19.663 4.538 14.707 1.00 0.00 H new ATOM 0 HA ASP B 20 17.965 3.357 14.033 1.00 0.00 H new ATOM 0 HB2 ASP B 20 18.442 1.499 16.375 1.00 0.00 H new ATOM 0 HB3 ASP B 20 17.810 1.096 14.791 1.00 0.00 H new ATOM 1380 N VAL B 21 16.307 4.823 15.694 1.00 0.00 N ATOM 1381 CA VAL B 21 15.022 5.233 16.284 1.00 0.00 C ATOM 1382 C VAL B 21 13.835 4.832 15.400 1.00 0.00 C ATOM 1383 O VAL B 21 13.874 4.972 14.175 1.00 0.00 O ATOM 1384 CB VAL B 21 14.994 6.723 16.663 1.00 0.00 C ATOM 1385 CG1 VAL B 21 15.989 6.993 17.793 1.00 0.00 C ATOM 1386 CG2 VAL B 21 15.273 7.692 15.514 1.00 0.00 C ATOM 0 H VAL B 21 16.841 5.587 15.281 1.00 0.00 H new ATOM 0 HA VAL B 21 14.919 4.684 17.220 1.00 0.00 H new ATOM 0 HB VAL B 21 13.968 6.914 16.976 1.00 0.00 H new ATOM 0 HG11 VAL B 21 15.963 8.051 18.056 1.00 0.00 H new ATOM 0 HG12 VAL B 21 15.721 6.396 18.665 1.00 0.00 H new ATOM 0 HG13 VAL B 21 16.993 6.725 17.465 1.00 0.00 H new ATOM 0 HG21 VAL B 21 15.230 8.717 15.884 1.00 0.00 H new ATOM 0 HG22 VAL B 21 16.264 7.495 15.104 1.00 0.00 H new ATOM 0 HG23 VAL B 21 14.524 7.556 14.734 1.00 0.00 H new ATOM 1396 N LEU B 22 12.768 4.342 16.030 1.00 0.00 N ATOM 1397 CA LEU B 22 11.462 4.090 15.409 1.00 0.00 C ATOM 1398 C LEU B 22 10.521 5.296 15.541 1.00 0.00 C ATOM 1399 O LEU B 22 9.672 5.504 14.677 1.00 0.00 O ATOM 1400 CB LEU B 22 10.813 2.855 16.056 1.00 0.00 C ATOM 1401 CG LEU B 22 11.564 1.524 15.851 1.00 0.00 C ATOM 1402 CD1 LEU B 22 10.830 0.418 16.611 1.00 0.00 C ATOM 1403 CD2 LEU B 22 11.644 1.116 14.382 1.00 0.00 C ATOM 0 H LEU B 22 12.787 4.100 17.021 1.00 0.00 H new ATOM 0 HA LEU B 22 11.628 3.914 14.346 1.00 0.00 H new ATOM 0 HB2 LEU B 22 10.717 3.036 17.127 1.00 0.00 H new ATOM 0 HB3 LEU B 22 9.804 2.747 15.659 1.00 0.00 H new ATOM 0 HG LEU B 22 12.580 1.665 16.220 1.00 0.00 H new ATOM 0 HD11 LEU B 22 11.354 -0.528 16.472 1.00 0.00 H new ATOM 0 HD12 LEU B 22 10.800 0.664 17.672 1.00 0.00 H new ATOM 0 HD13 LEU B 22 9.812 0.329 16.231 1.00 0.00 H new ATOM 0 HD21 LEU B 22 12.183 0.172 14.295 1.00 0.00 H new ATOM 0 HD22 LEU B 22 10.637 0.997 13.982 1.00 0.00 H new ATOM 0 HD23 LEU B 22 12.169 1.887 13.818 1.00 0.00 H new ATOM 1415 N GLU B 23 10.666 6.088 16.608 1.00 0.00 N ATOM 1416 CA GLU B 23 9.813 7.245 16.893 1.00 0.00 C ATOM 1417 C GLU B 23 10.508 8.278 17.787 1.00 0.00 C ATOM 1418 O GLU B 23 11.266 7.921 18.692 1.00 0.00 O ATOM 1419 CB GLU B 23 8.500 6.759 17.530 1.00 0.00 C ATOM 1420 CG GLU B 23 7.556 7.902 17.934 1.00 0.00 C ATOM 1421 CD GLU B 23 6.125 7.451 18.233 1.00 0.00 C ATOM 1422 OE1 GLU B 23 5.378 8.234 18.864 1.00 0.00 O ATOM 1423 OE2 GLU B 23 5.684 6.383 17.745 1.00 0.00 O1- ATOM 0 H GLU B 23 11.392 5.940 17.309 1.00 0.00 H new ATOM 0 HA GLU B 23 9.600 7.751 15.951 1.00 0.00 H new ATOM 0 HB2 GLU B 23 7.985 6.104 16.827 1.00 0.00 H new ATOM 0 HB3 GLU B 23 8.732 6.161 18.411 1.00 0.00 H new ATOM 0 HG2 GLU B 23 7.961 8.399 18.815 1.00 0.00 H new ATOM 0 HG3 GLU B 23 7.533 8.641 17.133 1.00 0.00 H new ATOM 1430 N VAL B 24 10.199 9.558 17.567 1.00 0.00 N ATOM 1431 CA VAL B 24 10.634 10.706 18.382 1.00 0.00 C ATOM 1432 C VAL B 24 9.479 11.707 18.469 1.00 0.00 C ATOM 1433 O VAL B 24 8.835 11.979 17.456 1.00 0.00 O ATOM 1434 CB VAL B 24 11.886 11.383 17.788 1.00 0.00 C ATOM 1435 CG1 VAL B 24 12.464 12.430 18.747 1.00 0.00 C ATOM 1436 CG2 VAL B 24 13.000 10.399 17.406 1.00 0.00 C ATOM 0 H VAL B 24 9.613 9.840 16.782 1.00 0.00 H new ATOM 0 HA VAL B 24 10.903 10.352 19.377 1.00 0.00 H new ATOM 0 HB VAL B 24 11.536 11.860 16.873 1.00 0.00 H new ATOM 0 HG11 VAL B 24 13.345 12.888 18.298 1.00 0.00 H new ATOM 0 HG12 VAL B 24 11.715 13.198 18.941 1.00 0.00 H new ATOM 0 HG13 VAL B 24 12.743 11.950 19.685 1.00 0.00 H new ATOM 0 HG21 VAL B 24 13.847 10.949 16.996 1.00 0.00 H new ATOM 0 HG22 VAL B 24 13.319 9.849 18.291 1.00 0.00 H new ATOM 0 HG23 VAL B 24 12.626 9.699 16.659 1.00 0.00 H new ATOM 1446 N ARG B 25 9.194 12.263 19.649 1.00 0.00 N ATOM 1447 CA ARG B 25 8.108 13.243 19.864 1.00 0.00 C ATOM 1448 C ARG B 25 8.452 14.291 20.928 1.00 0.00 C ATOM 1449 O ARG B 25 9.103 13.981 21.922 1.00 0.00 O ATOM 1450 CB ARG B 25 6.784 12.518 20.166 1.00 0.00 C ATOM 1451 CG ARG B 25 6.876 11.542 21.348 1.00 0.00 C ATOM 1452 CD ARG B 25 5.502 11.133 21.882 1.00 0.00 C ATOM 1453 NE ARG B 25 4.842 10.101 21.066 1.00 0.00 N ATOM 1454 CZ ARG B 25 3.634 9.606 21.267 1.00 0.00 C ATOM 1455 NH1 ARG B 25 2.819 10.050 22.183 1.00 0.00 N1+ ATOM 1456 NH2 ARG B 25 3.227 8.621 20.532 1.00 0.00 N ATOM 0 H ARG B 25 9.714 12.047 20.499 1.00 0.00 H new ATOM 0 HA ARG B 25 7.985 13.803 18.937 1.00 0.00 H new ATOM 0 HB2 ARG B 25 6.013 13.259 20.376 1.00 0.00 H new ATOM 0 HB3 ARG B 25 6.467 11.972 19.278 1.00 0.00 H new ATOM 0 HG2 ARG B 25 7.421 10.651 21.037 1.00 0.00 H new ATOM 0 HG3 ARG B 25 7.451 12.003 22.151 1.00 0.00 H new ATOM 0 HD2 ARG B 25 5.612 10.764 22.902 1.00 0.00 H new ATOM 0 HD3 ARG B 25 4.861 12.014 21.929 1.00 0.00 H new ATOM 0 HE ARG B 25 5.366 9.734 20.272 1.00 0.00 H new ATOM 0 HH11 ARG B 25 3.104 10.819 22.790 1.00 0.00 H new ATOM 0 HH12 ARG B 25 1.897 9.628 22.293 1.00 0.00 H new ATOM 0 HH21 ARG B 25 3.837 8.238 19.810 1.00 0.00 H new ATOM 0 HH22 ARG B 25 2.297 8.228 20.675 1.00 0.00 H new ATOM 1470 N ALA B 26 7.986 15.520 20.724 1.00 0.00 N ATOM 1471 CA ALA B 26 7.989 16.592 21.710 1.00 0.00 C ATOM 1472 C ALA B 26 6.670 16.537 22.507 1.00 0.00 C ATOM 1473 O ALA B 26 5.584 16.625 21.929 1.00 0.00 O ATOM 1474 CB ALA B 26 8.187 17.927 20.989 1.00 0.00 C ATOM 0 H ALA B 26 7.581 15.806 19.833 1.00 0.00 H new ATOM 0 HA ALA B 26 8.808 16.479 22.420 1.00 0.00 H new ATOM 0 HB1 ALA B 26 8.191 18.737 21.718 1.00 0.00 H new ATOM 0 HB2 ALA B 26 9.137 17.915 20.455 1.00 0.00 H new ATOM 0 HB3 ALA B 26 7.374 18.081 20.279 1.00 0.00 H new ATOM 1509 N ALA B 30 9.145 18.033 27.313 1.00 0.00 N ATOM 1510 CA ALA B 30 10.291 17.148 27.121 1.00 0.00 C ATOM 1511 C ALA B 30 10.311 16.584 25.684 1.00 0.00 C ATOM 1512 O ALA B 30 9.331 16.705 24.944 1.00 0.00 O ATOM 1513 CB ALA B 30 10.194 16.018 28.156 1.00 0.00 C ATOM 0 HA ALA B 30 11.221 17.700 27.260 1.00 0.00 H new ATOM 0 HB1 ALA B 30 11.039 15.340 28.035 1.00 0.00 H new ATOM 0 HB2 ALA B 30 10.209 16.442 29.160 1.00 0.00 H new ATOM 0 HB3 ALA B 30 9.264 15.468 28.008 1.00 0.00 H new ATOM 1519 N VAL B 31 11.401 15.913 25.300 1.00 0.00 N ATOM 1520 CA VAL B 31 11.403 14.977 24.152 1.00 0.00 C ATOM 1521 C VAL B 31 11.401 13.531 24.643 1.00 0.00 C ATOM 1522 O VAL B 31 12.085 13.212 25.617 1.00 0.00 O ATOM 1523 CB VAL B 31 12.549 15.269 23.165 1.00 0.00 C ATOM 1524 CG1 VAL B 31 12.680 14.210 22.058 1.00 0.00 C ATOM 1525 CG2 VAL B 31 12.293 16.614 22.475 1.00 0.00 C ATOM 0 H VAL B 31 12.304 15.996 25.766 1.00 0.00 H new ATOM 0 HA VAL B 31 10.484 15.132 23.587 1.00 0.00 H new ATOM 0 HB VAL B 31 13.467 15.270 23.753 1.00 0.00 H new ATOM 0 HG11 VAL B 31 13.505 14.475 21.397 1.00 0.00 H new ATOM 0 HG12 VAL B 31 12.873 13.236 22.507 1.00 0.00 H new ATOM 0 HG13 VAL B 31 11.754 14.167 21.484 1.00 0.00 H new ATOM 0 HG21 VAL B 31 13.102 16.824 21.776 1.00 0.00 H new ATOM 0 HG22 VAL B 31 11.348 16.571 21.934 1.00 0.00 H new ATOM 0 HG23 VAL B 31 12.247 17.404 23.224 1.00 0.00 H new ATOM 1535 N ARG B 32 10.641 12.657 23.975 1.00 0.00 N ATOM 1536 CA ARG B 32 10.531 11.211 24.232 1.00 0.00 C ATOM 1537 C ARG B 32 10.765 10.435 22.935 1.00 0.00 C ATOM 1538 O ARG B 32 10.347 10.882 21.863 1.00 0.00 O ATOM 1539 CB ARG B 32 9.164 10.896 24.864 1.00 0.00 C ATOM 1540 CG ARG B 32 9.066 11.430 26.307 1.00 0.00 C ATOM 1541 CD ARG B 32 7.642 11.292 26.851 1.00 0.00 C ATOM 1542 NE ARG B 32 7.571 11.714 28.264 1.00 0.00 N ATOM 1543 CZ ARG B 32 6.478 11.917 28.976 1.00 0.00 C ATOM 1544 NH1 ARG B 32 5.282 11.824 28.470 1.00 0.00 N1+ ATOM 1545 NH2 ARG B 32 6.565 12.224 30.237 1.00 0.00 N ATOM 0 H ARG B 32 10.052 12.953 23.196 1.00 0.00 H new ATOM 0 HA ARG B 32 11.297 10.898 24.941 1.00 0.00 H new ATOM 0 HB2 ARG B 32 8.373 11.337 24.258 1.00 0.00 H new ATOM 0 HB3 ARG B 32 9.002 9.818 24.863 1.00 0.00 H new ATOM 0 HG2 ARG B 32 9.758 10.883 26.948 1.00 0.00 H new ATOM 0 HG3 ARG B 32 9.368 12.477 26.332 1.00 0.00 H new ATOM 0 HD2 ARG B 32 6.960 11.897 26.253 1.00 0.00 H new ATOM 0 HD3 ARG B 32 7.313 10.257 26.760 1.00 0.00 H new ATOM 0 HE ARG B 32 8.460 11.865 28.740 1.00 0.00 H new ATOM 0 HH11 ARG B 32 5.162 11.586 27.486 1.00 0.00 H new ATOM 0 HH12 ARG B 32 4.465 11.989 29.058 1.00 0.00 H new ATOM 0 HH21 ARG B 32 7.480 12.309 30.679 1.00 0.00 H new ATOM 0 HH22 ARG B 32 5.718 12.380 30.784 1.00 0.00 H new ATOM 1559 N VAL B 33 11.464 9.304 23.018 1.00 0.00 N ATOM 1560 CA VAL B 33 11.982 8.569 21.845 1.00 0.00 C ATOM 1561 C VAL B 33 12.088 7.063 22.100 1.00 0.00 C ATOM 1562 O VAL B 33 12.380 6.635 23.217 1.00 0.00 O ATOM 1563 CB VAL B 33 13.299 9.205 21.305 1.00 0.00 C ATOM 1564 CG1 VAL B 33 14.116 9.997 22.333 1.00 0.00 C ATOM 1565 CG2 VAL B 33 14.265 8.237 20.606 1.00 0.00 C ATOM 0 H VAL B 33 11.694 8.860 23.907 1.00 0.00 H new ATOM 0 HA VAL B 33 11.248 8.671 21.046 1.00 0.00 H new ATOM 0 HB VAL B 33 12.882 9.891 20.567 1.00 0.00 H new ATOM 0 HG11 VAL B 33 15.011 10.397 21.856 1.00 0.00 H new ATOM 0 HG12 VAL B 33 13.514 10.818 22.722 1.00 0.00 H new ATOM 0 HG13 VAL B 33 14.405 9.339 23.153 1.00 0.00 H new ATOM 0 HG21 VAL B 33 15.147 8.782 20.270 1.00 0.00 H new ATOM 0 HG22 VAL B 33 14.566 7.456 21.304 1.00 0.00 H new ATOM 0 HG23 VAL B 33 13.769 7.785 19.747 1.00 0.00 H new ATOM 1575 N THR B 34 11.854 6.266 21.053 1.00 0.00 N ATOM 1576 CA THR B 34 11.814 4.791 21.065 1.00 0.00 C ATOM 1577 C THR B 34 12.750 4.204 20.003 1.00 0.00 C ATOM 1578 O THR B 34 12.788 4.702 18.874 1.00 0.00 O ATOM 1579 CB THR B 34 10.379 4.279 20.833 1.00 0.00 C ATOM 1580 OG1 THR B 34 9.467 4.872 21.742 1.00 0.00 O ATOM 1581 CG2 THR B 34 10.238 2.761 20.983 1.00 0.00 C ATOM 0 H THR B 34 11.678 6.647 20.123 1.00 0.00 H new ATOM 0 HA THR B 34 12.152 4.463 22.048 1.00 0.00 H new ATOM 0 HB THR B 34 10.153 4.557 19.804 1.00 0.00 H new ATOM 0 HG1 THR B 34 8.565 4.530 21.570 1.00 0.00 H new ATOM 0 HG21 THR B 34 9.202 2.473 20.806 1.00 0.00 H new ATOM 0 HG22 THR B 34 10.882 2.262 20.259 1.00 0.00 H new ATOM 0 HG23 THR B 34 10.529 2.466 21.991 1.00 0.00 H new ATOM 1589 N THR B 35 13.479 3.130 20.324 1.00 0.00 N ATOM 1590 CA THR B 35 14.467 2.491 19.428 1.00 0.00 C ATOM 1591 C THR B 35 13.996 1.172 18.809 1.00 0.00 C ATOM 1592 O THR B 35 13.034 0.544 19.258 1.00 0.00 O ATOM 1593 CB THR B 35 15.817 2.274 20.138 1.00 0.00 C ATOM 1594 OG1 THR B 35 15.713 1.245 21.100 1.00 0.00 O ATOM 1595 CG2 THR B 35 16.339 3.549 20.804 1.00 0.00 C ATOM 0 H THR B 35 13.402 2.667 21.229 1.00 0.00 H new ATOM 0 HA THR B 35 14.590 3.198 18.607 1.00 0.00 H new ATOM 0 HB THR B 35 16.532 1.985 19.368 1.00 0.00 H new ATOM 0 HG1 THR B 35 16.580 1.120 21.540 1.00 0.00 H new ATOM 0 HG21 THR B 35 17.292 3.342 21.290 1.00 0.00 H new ATOM 0 HG22 THR B 35 16.477 4.323 20.049 1.00 0.00 H new ATOM 0 HG23 THR B 35 15.620 3.892 21.548 1.00 0.00 H new ATOM 1603 N LEU B 36 14.742 0.704 17.799 1.00 0.00 N ATOM 1604 CA LEU B 36 14.635 -0.600 17.130 1.00 0.00 C ATOM 1605 C LEU B 36 14.626 -1.788 18.106 1.00 0.00 C ATOM 1606 O LEU B 36 13.971 -2.800 17.854 1.00 0.00 O ATOM 1607 CB LEU B 36 15.846 -0.682 16.177 1.00 0.00 C ATOM 1608 CG LEU B 36 15.986 -1.970 15.348 1.00 0.00 C ATOM 1609 CD1 LEU B 36 14.847 -2.087 14.334 1.00 0.00 C ATOM 1610 CD2 LEU B 36 17.303 -1.943 14.573 1.00 0.00 C ATOM 0 H LEU B 36 15.491 1.269 17.399 1.00 0.00 H new ATOM 0 HA LEU B 36 13.684 -0.669 16.602 1.00 0.00 H new ATOM 0 HB2 LEU B 36 15.795 0.162 15.489 1.00 0.00 H new ATOM 0 HB3 LEU B 36 16.753 -0.557 16.768 1.00 0.00 H new ATOM 0 HG LEU B 36 15.958 -2.816 16.034 1.00 0.00 H new ATOM 0 HD11 LEU B 36 14.965 -3.005 13.758 1.00 0.00 H new ATOM 0 HD12 LEU B 36 13.893 -2.109 14.860 1.00 0.00 H new ATOM 0 HD13 LEU B 36 14.870 -1.231 13.660 1.00 0.00 H new ATOM 0 HD21 LEU B 36 17.399 -2.857 13.987 1.00 0.00 H new ATOM 0 HD22 LEU B 36 17.315 -1.081 13.906 1.00 0.00 H new ATOM 0 HD23 LEU B 36 18.136 -1.872 15.273 1.00 0.00 H new ATOM 1622 N PHE B 37 15.334 -1.652 19.229 1.00 0.00 N ATOM 1623 CA PHE B 37 15.473 -2.660 20.289 1.00 0.00 C ATOM 1624 C PHE B 37 14.349 -2.586 21.348 1.00 0.00 C ATOM 1625 O PHE B 37 14.417 -3.263 22.376 1.00 0.00 O ATOM 1626 CB PHE B 37 16.879 -2.522 20.890 1.00 0.00 C ATOM 1627 CG PHE B 37 17.981 -2.486 19.839 1.00 0.00 C ATOM 1628 CD1 PHE B 37 18.605 -1.267 19.506 1.00 0.00 C ATOM 1629 CD2 PHE B 37 18.316 -3.655 19.127 1.00 0.00 C ATOM 1630 CE1 PHE B 37 19.555 -1.217 18.471 1.00 0.00 C ATOM 1631 CE2 PHE B 37 19.278 -3.607 18.101 1.00 0.00 C ATOM 1632 CZ PHE B 37 19.893 -2.387 17.771 1.00 0.00 C ATOM 0 H PHE B 37 15.851 -0.798 19.436 1.00 0.00 H new ATOM 0 HA PHE B 37 15.359 -3.656 19.860 1.00 0.00 H new ATOM 0 HB2 PHE B 37 16.924 -1.610 21.486 1.00 0.00 H new ATOM 0 HB3 PHE B 37 17.060 -3.356 21.569 1.00 0.00 H new ATOM 0 HD1 PHE B 37 18.352 -0.368 20.048 1.00 0.00 H new ATOM 0 HD2 PHE B 37 17.833 -4.590 19.369 1.00 0.00 H new ATOM 0 HE1 PHE B 37 20.025 -0.279 18.214 1.00 0.00 H new ATOM 0 HE2 PHE B 37 19.544 -4.508 17.567 1.00 0.00 H new ATOM 0 HZ PHE B 37 20.626 -2.349 16.979 1.00 0.00 H new ATOM 1642 N ASP B 38 13.318 -1.769 21.100 1.00 0.00 N ATOM 1643 CA ASP B 38 12.177 -1.488 21.986 1.00 0.00 C ATOM 1644 C ASP B 38 12.570 -0.845 23.338 1.00 0.00 C ATOM 1645 O ASP B 38 11.848 -0.958 24.329 1.00 0.00 O ATOM 1646 CB ASP B 38 11.258 -2.718 22.106 1.00 0.00 C ATOM 1647 CG ASP B 38 9.830 -2.415 22.609 1.00 0.00 C ATOM 1648 OD1 ASP B 38 9.318 -1.286 22.412 1.00 0.00 O ATOM 1649 OD2 ASP B 38 9.186 -3.345 23.160 1.00 0.00 O1- ATOM 0 H ASP B 38 13.252 -1.254 20.222 1.00 0.00 H new ATOM 0 HA ASP B 38 11.587 -0.705 21.510 1.00 0.00 H new ATOM 0 HB2 ASP B 38 11.190 -3.199 21.130 1.00 0.00 H new ATOM 0 HB3 ASP B 38 11.722 -3.435 22.783 1.00 0.00 H new ATOM 1654 N GLU B 39 13.720 -0.163 23.391 1.00 0.00 N ATOM 1655 CA GLU B 39 14.118 0.689 24.518 1.00 0.00 C ATOM 1656 C GLU B 39 13.532 2.108 24.362 1.00 0.00 C ATOM 1657 O GLU B 39 13.309 2.591 23.245 1.00 0.00 O ATOM 1658 CB GLU B 39 15.654 0.697 24.652 1.00 0.00 C ATOM 1659 CG GLU B 39 16.222 1.496 25.845 1.00 0.00 C ATOM 1660 CD GLU B 39 15.738 0.987 27.217 1.00 0.00 C ATOM 1661 OE1 GLU B 39 16.547 0.362 27.947 1.00 0.00 O ATOM 1662 OE2 GLU B 39 14.560 1.222 27.580 1.00 0.00 O1- ATOM 0 H GLU B 39 14.411 -0.188 22.641 1.00 0.00 H new ATOM 0 HA GLU B 39 13.710 0.282 25.443 1.00 0.00 H new ATOM 0 HB2 GLU B 39 15.998 -0.334 24.733 1.00 0.00 H new ATOM 0 HB3 GLU B 39 16.078 1.103 23.733 1.00 0.00 H new ATOM 0 HG2 GLU B 39 17.311 1.453 25.815 1.00 0.00 H new ATOM 0 HG3 GLU B 39 15.941 2.544 25.736 1.00 0.00 H new ATOM 1669 N GLU B 40 13.282 2.783 25.483 1.00 0.00 N ATOM 1670 CA GLU B 40 12.723 4.140 25.554 1.00 0.00 C ATOM 1671 C GLU B 40 13.659 5.106 26.295 1.00 0.00 C ATOM 1672 O GLU B 40 14.313 4.744 27.279 1.00 0.00 O ATOM 1673 CB GLU B 40 11.341 4.127 26.227 1.00 0.00 C ATOM 1674 CG GLU B 40 10.295 3.391 25.378 1.00 0.00 C ATOM 1675 CD GLU B 40 8.909 3.323 26.058 1.00 0.00 C ATOM 1676 OE1 GLU B 40 8.819 3.217 27.309 1.00 0.00 O ATOM 1677 OE2 GLU B 40 7.882 3.355 25.336 1.00 0.00 O1- ATOM 0 H GLU B 40 13.469 2.388 26.405 1.00 0.00 H new ATOM 0 HA GLU B 40 12.616 4.496 24.529 1.00 0.00 H new ATOM 0 HB2 GLU B 40 11.418 3.648 27.203 1.00 0.00 H new ATOM 0 HB3 GLU B 40 11.012 5.152 26.399 1.00 0.00 H new ATOM 0 HG2 GLU B 40 10.198 3.893 24.415 1.00 0.00 H new ATOM 0 HG3 GLU B 40 10.645 2.379 25.176 1.00 0.00 H new ATOM 1684 N HIS B 41 13.682 6.360 25.836 1.00 0.00 N ATOM 1685 CA HIS B 41 14.470 7.466 26.398 1.00 0.00 C ATOM 1686 C HIS B 41 13.618 8.734 26.521 1.00 0.00 C ATOM 1687 O HIS B 41 12.668 8.931 25.758 1.00 0.00 O ATOM 1688 CB HIS B 41 15.730 7.731 25.548 1.00 0.00 C ATOM 1689 CG HIS B 41 16.552 6.509 25.209 1.00 0.00 C ATOM 1690 ND1 HIS B 41 17.502 5.898 26.035 1.00 0.00 N ATOM 1691 CD2 HIS B 41 16.471 5.818 24.035 1.00 0.00 C ATOM 1692 CE1 HIS B 41 17.969 4.848 25.334 1.00 0.00 C ATOM 1693 NE2 HIS B 41 17.369 4.779 24.136 1.00 0.00 N ATOM 0 H HIS B 41 13.129 6.647 25.028 1.00 0.00 H new ATOM 0 HA HIS B 41 14.793 7.177 27.398 1.00 0.00 H new ATOM 0 HB2 HIS B 41 15.426 8.213 24.619 1.00 0.00 H new ATOM 0 HB3 HIS B 41 16.365 8.439 26.081 1.00 0.00 H new ATOM 0 HD2 HIS B 41 15.831 6.041 23.195 1.00 0.00 H new ATOM 0 HE1 HIS B 41 18.721 4.158 25.687 1.00 0.00 H new ATOM 0 HE2 HIS B 41 17.548 4.075 23.420 1.00 0.00 H new ATOM 1701 N ALA B 42 13.963 9.604 27.473 1.00 0.00 N ATOM 1702 CA ALA B 42 13.275 10.872 27.737 1.00 0.00 C ATOM 1703 C ALA B 42 14.253 11.983 28.169 1.00 0.00 C ATOM 1704 O ALA B 42 15.208 11.730 28.910 1.00 0.00 O ATOM 1705 CB ALA B 42 12.180 10.639 28.789 1.00 0.00 C ATOM 0 H ALA B 42 14.751 9.442 28.100 1.00 0.00 H new ATOM 0 HA ALA B 42 12.815 11.220 26.812 1.00 0.00 H new ATOM 0 HB1 ALA B 42 11.664 11.578 28.991 1.00 0.00 H new ATOM 0 HB2 ALA B 42 11.466 9.905 28.415 1.00 0.00 H new ATOM 0 HB3 ALA B 42 12.632 10.269 29.709 1.00 0.00 H new ATOM 1711 N PHE B 43 13.994 13.210 27.717 1.00 0.00 N ATOM 1712 CA PHE B 43 14.884 14.363 27.849 1.00 0.00 C ATOM 1713 C PHE B 43 14.082 15.639 28.180 1.00 0.00 C ATOM 1714 O PHE B 43 13.616 16.329 27.262 1.00 0.00 O ATOM 1715 CB PHE B 43 15.707 14.516 26.557 1.00 0.00 C ATOM 1716 CG PHE B 43 16.514 13.291 26.171 1.00 0.00 C ATOM 1717 CD1 PHE B 43 16.042 12.416 25.173 1.00 0.00 C ATOM 1718 CD2 PHE B 43 17.725 13.009 26.832 1.00 0.00 C ATOM 1719 CE1 PHE B 43 16.760 11.251 24.850 1.00 0.00 C ATOM 1720 CE2 PHE B 43 18.450 11.844 26.500 1.00 0.00 C ATOM 1721 CZ PHE B 43 17.963 10.964 25.517 1.00 0.00 C ATOM 0 H PHE B 43 13.126 13.436 27.231 1.00 0.00 H new ATOM 0 HA PHE B 43 15.573 14.203 28.678 1.00 0.00 H new ATOM 0 HB2 PHE B 43 15.031 14.761 25.738 1.00 0.00 H new ATOM 0 HB3 PHE B 43 16.387 15.360 26.673 1.00 0.00 H new ATOM 0 HD1 PHE B 43 15.123 12.641 24.653 1.00 0.00 H new ATOM 0 HD2 PHE B 43 18.098 13.682 27.590 1.00 0.00 H new ATOM 0 HE1 PHE B 43 16.388 10.579 24.091 1.00 0.00 H new ATOM 0 HE2 PHE B 43 19.381 11.628 27.002 1.00 0.00 H new ATOM 0 HZ PHE B 43 18.514 10.067 25.275 1.00 0.00 H new ATOM 1731 N PRO B 44 13.883 15.956 29.474 1.00 0.00 N ATOM 1732 CA PRO B 44 13.171 17.159 29.912 1.00 0.00 C ATOM 1733 C PRO B 44 13.838 18.459 29.451 1.00 0.00 C ATOM 1734 O PRO B 44 15.065 18.574 29.394 1.00 0.00 O ATOM 1735 CB PRO B 44 13.086 17.066 31.442 1.00 0.00 C ATOM 1736 CG PRO B 44 13.190 15.566 31.707 1.00 0.00 C ATOM 1737 CD PRO B 44 14.162 15.104 30.624 1.00 0.00 C ATOM 0 HA PRO B 44 12.181 17.197 29.458 1.00 0.00 H new ATOM 0 HB2 PRO B 44 13.893 17.617 31.924 1.00 0.00 H new ATOM 0 HB3 PRO B 44 12.150 17.477 31.819 1.00 0.00 H new ATOM 0 HG2 PRO B 44 13.568 15.356 32.708 1.00 0.00 H new ATOM 0 HG3 PRO B 44 12.223 15.071 31.622 1.00 0.00 H new ATOM 0 HD2 PRO B 44 15.196 15.210 30.951 1.00 0.00 H new ATOM 0 HD3 PRO B 44 14.011 14.052 30.381 1.00 0.00 H new ATOM 1745 N GLY B 45 13.013 19.466 29.141 1.00 0.00 N ATOM 1746 CA GLY B 45 13.461 20.795 28.707 1.00 0.00 C ATOM 1747 C GLY B 45 13.836 20.897 27.224 1.00 0.00 C ATOM 1748 O GLY B 45 14.306 21.954 26.798 1.00 0.00 O ATOM 0 H GLY B 45 11.998 19.379 29.185 1.00 0.00 H new ATOM 0 HA2 GLY B 45 12.671 21.516 28.917 1.00 0.00 H new ATOM 0 HA3 GLY B 45 14.324 21.085 29.306 1.00 0.00 H new ATOM 1752 N LEU B 46 13.636 19.841 26.427 1.00 0.00 N ATOM 1753 CA LEU B 46 13.872 19.827 24.977 1.00 0.00 C ATOM 1754 C LEU B 46 12.578 19.879 24.149 1.00 0.00 C ATOM 1755 O LEU B 46 11.487 19.569 24.638 1.00 0.00 O ATOM 1756 CB LEU B 46 14.732 18.603 24.583 1.00 0.00 C ATOM 1757 CG LEU B 46 16.104 18.478 25.258 1.00 0.00 C ATOM 1758 CD1 LEU B 46 16.898 17.358 24.587 1.00 0.00 C ATOM 1759 CD2 LEU B 46 16.949 19.750 25.146 1.00 0.00 C ATOM 0 H LEU B 46 13.296 18.947 26.782 1.00 0.00 H new ATOM 0 HA LEU B 46 14.417 20.741 24.741 1.00 0.00 H new ATOM 0 HB2 LEU B 46 14.161 17.701 24.803 1.00 0.00 H new ATOM 0 HB3 LEU B 46 14.885 18.628 23.504 1.00 0.00 H new ATOM 0 HG LEU B 46 15.908 18.280 26.312 1.00 0.00 H new ATOM 0 HD11 LEU B 46 17.874 17.267 25.065 1.00 0.00 H new ATOM 0 HD12 LEU B 46 16.356 16.418 24.687 1.00 0.00 H new ATOM 0 HD13 LEU B 46 17.032 17.589 23.530 1.00 0.00 H new ATOM 0 HD21 LEU B 46 17.907 19.596 25.643 1.00 0.00 H new ATOM 0 HD22 LEU B 46 17.119 19.982 24.095 1.00 0.00 H new ATOM 0 HD23 LEU B 46 16.423 20.579 25.620 1.00 0.00 H new ATOM 1771 N ALA B 47 12.737 20.214 22.865 1.00 0.00 N ATOM 1772 CA ALA B 47 11.781 20.050 21.772 1.00 0.00 C ATOM 1773 C ALA B 47 12.538 19.670 20.474 1.00 0.00 C ATOM 1774 O ALA B 47 13.756 19.855 20.373 1.00 0.00 O ATOM 1775 CB ALA B 47 10.965 21.337 21.631 1.00 0.00 C ATOM 0 H ALA B 47 13.605 20.640 22.541 1.00 0.00 H new ATOM 0 HA ALA B 47 11.083 19.239 21.980 1.00 0.00 H new ATOM 0 HB1 ALA B 47 10.248 21.226 20.818 1.00 0.00 H new ATOM 0 HB2 ALA B 47 10.431 21.533 22.561 1.00 0.00 H new ATOM 0 HB3 ALA B 47 11.634 22.170 21.414 1.00 0.00 H new ATOM 1781 N ILE B 48 11.836 19.132 19.469 1.00 0.00 N ATOM 1782 CA ILE B 48 12.430 18.791 18.164 1.00 0.00 C ATOM 1783 C ILE B 48 12.658 20.083 17.367 1.00 0.00 C ATOM 1784 O ILE B 48 11.716 20.835 17.107 1.00 0.00 O ATOM 1785 CB ILE B 48 11.568 17.770 17.384 1.00 0.00 C ATOM 1786 CG1 ILE B 48 11.367 16.456 18.176 1.00 0.00 C ATOM 1787 CG2 ILE B 48 12.222 17.462 16.022 1.00 0.00 C ATOM 1788 CD1 ILE B 48 10.180 15.628 17.666 1.00 0.00 C ATOM 0 H ILE B 48 10.840 18.920 19.534 1.00 0.00 H new ATOM 0 HA ILE B 48 13.390 18.302 18.327 1.00 0.00 H new ATOM 0 HB ILE B 48 10.586 18.219 17.231 1.00 0.00 H new ATOM 0 HG12 ILE B 48 12.275 15.857 18.113 1.00 0.00 H new ATOM 0 HG13 ILE B 48 11.213 16.692 19.229 1.00 0.00 H new ATOM 0 HG21 ILE B 48 11.609 16.742 15.479 1.00 0.00 H new ATOM 0 HG22 ILE B 48 12.303 18.381 15.441 1.00 0.00 H new ATOM 0 HG23 ILE B 48 13.216 17.045 16.182 1.00 0.00 H new ATOM 0 HD11 ILE B 48 10.089 14.719 18.260 1.00 0.00 H new ATOM 0 HD12 ILE B 48 9.264 16.212 17.754 1.00 0.00 H new ATOM 0 HD13 ILE B 48 10.343 15.364 16.621 1.00 0.00 H new ATOM 1800 N GLY B 49 13.909 20.349 16.970 1.00 0.00 N ATOM 1801 CA GLY B 49 14.319 21.582 16.287 1.00 0.00 C ATOM 1802 C GLY B 49 14.419 21.457 14.763 1.00 0.00 C ATOM 1803 O GLY B 49 14.039 22.392 14.051 1.00 0.00 O ATOM 0 H GLY B 49 14.681 19.699 17.118 1.00 0.00 H new ATOM 0 HA2 GLY B 49 13.607 22.371 16.529 1.00 0.00 H new ATOM 0 HA3 GLY B 49 15.287 21.895 16.678 1.00 0.00 H new ATOM 1807 N ARG B 50 14.902 20.311 14.259 1.00 0.00 N ATOM 1808 CA ARG B 50 15.166 20.067 12.829 1.00 0.00 C ATOM 1809 C ARG B 50 15.175 18.573 12.506 1.00 0.00 C ATOM 1810 O ARG B 50 15.681 17.783 13.298 1.00 0.00 O ATOM 1811 CB ARG B 50 16.509 20.745 12.473 1.00 0.00 C ATOM 1812 CG ARG B 50 17.039 20.501 11.052 1.00 0.00 C ATOM 1813 CD ARG B 50 18.339 21.294 10.856 1.00 0.00 C ATOM 1814 NE ARG B 50 18.890 21.087 9.504 1.00 0.00 N ATOM 1815 CZ ARG B 50 19.791 20.198 9.120 1.00 0.00 C ATOM 1816 NH1 ARG B 50 20.413 19.409 9.951 1.00 0.00 N1+ ATOM 1817 NH2 ARG B 50 20.081 20.069 7.860 1.00 0.00 N ATOM 0 H ARG B 50 15.126 19.508 14.847 1.00 0.00 H new ATOM 0 HA ARG B 50 14.368 20.495 12.223 1.00 0.00 H new ATOM 0 HB2 ARG B 50 16.398 21.820 12.617 1.00 0.00 H new ATOM 0 HB3 ARG B 50 17.263 20.404 13.183 1.00 0.00 H new ATOM 0 HG2 ARG B 50 17.220 19.438 10.896 1.00 0.00 H new ATOM 0 HG3 ARG B 50 16.296 20.809 10.316 1.00 0.00 H new ATOM 0 HD2 ARG B 50 18.148 22.355 11.016 1.00 0.00 H new ATOM 0 HD3 ARG B 50 19.072 20.986 11.602 1.00 0.00 H new ATOM 0 HE ARG B 50 18.533 21.705 8.776 1.00 0.00 H new ATOM 0 HH11 ARG B 50 20.213 19.460 10.950 1.00 0.00 H new ATOM 0 HH12 ARG B 50 21.100 18.740 9.602 1.00 0.00 H new ATOM 0 HH21 ARG B 50 19.614 20.653 7.167 1.00 0.00 H new ATOM 0 HH22 ARG B 50 20.776 19.383 7.564 1.00 0.00 H new ATOM 1831 N VAL B 51 14.689 18.189 11.322 1.00 0.00 N ATOM 1832 CA VAL B 51 14.884 16.841 10.763 1.00 0.00 C ATOM 1833 C VAL B 51 15.490 16.946 9.364 1.00 0.00 C ATOM 1834 O VAL B 51 14.982 17.672 8.511 1.00 0.00 O ATOM 1835 CB VAL B 51 13.594 16.000 10.753 1.00 0.00 C ATOM 1836 CG1 VAL B 51 13.912 14.539 10.414 1.00 0.00 C ATOM 1837 CG2 VAL B 51 12.838 16.034 12.089 1.00 0.00 C ATOM 0 H VAL B 51 14.146 18.806 10.718 1.00 0.00 H new ATOM 0 HA VAL B 51 15.577 16.312 11.418 1.00 0.00 H new ATOM 0 HB VAL B 51 12.953 16.446 9.993 1.00 0.00 H new ATOM 0 HG11 VAL B 51 12.990 13.957 10.411 1.00 0.00 H new ATOM 0 HG12 VAL B 51 14.377 14.487 9.430 1.00 0.00 H new ATOM 0 HG13 VAL B 51 14.595 14.133 11.160 1.00 0.00 H new ATOM 0 HG21 VAL B 51 11.939 15.422 12.014 1.00 0.00 H new ATOM 0 HG22 VAL B 51 13.479 15.643 12.880 1.00 0.00 H new ATOM 0 HG23 VAL B 51 12.559 17.061 12.323 1.00 0.00 H new ATOM 1847 N ASP B 52 16.584 16.223 9.133 1.00 0.00 N ATOM 1848 CA ASP B 52 17.366 16.202 7.895 1.00 0.00 C ATOM 1849 C ASP B 52 17.295 14.810 7.249 1.00 0.00 C ATOM 1850 O ASP B 52 18.032 13.887 7.608 1.00 0.00 O ATOM 1851 CB ASP B 52 18.794 16.648 8.232 1.00 0.00 C ATOM 1852 CG ASP B 52 19.702 16.842 7.010 1.00 0.00 C ATOM 1853 OD1 ASP B 52 19.324 16.474 5.875 1.00 0.00 O ATOM 1854 OD2 ASP B 52 20.795 17.433 7.197 1.00 0.00 O1- ATOM 0 H ASP B 52 16.971 15.601 9.843 1.00 0.00 H new ATOM 0 HA ASP B 52 16.963 16.893 7.154 1.00 0.00 H new ATOM 0 HB2 ASP B 52 18.748 17.585 8.787 1.00 0.00 H new ATOM 0 HB3 ASP B 52 19.247 15.908 8.892 1.00 0.00 H new ATOM 1859 N LEU B 53 16.367 14.650 6.303 1.00 0.00 N ATOM 1860 CA LEU B 53 16.027 13.376 5.670 1.00 0.00 C ATOM 1861 C LEU B 53 17.075 12.921 4.637 1.00 0.00 C ATOM 1862 O LEU B 53 17.061 11.761 4.215 1.00 0.00 O ATOM 1863 CB LEU B 53 14.623 13.462 5.028 1.00 0.00 C ATOM 1864 CG LEU B 53 13.405 13.702 5.945 1.00 0.00 C ATOM 1865 CD1 LEU B 53 13.340 12.690 7.085 1.00 0.00 C ATOM 1866 CD2 LEU B 53 13.282 15.114 6.525 1.00 0.00 C ATOM 0 H LEU B 53 15.814 15.429 5.946 1.00 0.00 H new ATOM 0 HA LEU B 53 16.021 12.618 6.454 1.00 0.00 H new ATOM 0 HB2 LEU B 53 14.645 14.264 4.290 1.00 0.00 H new ATOM 0 HB3 LEU B 53 14.450 12.533 4.484 1.00 0.00 H new ATOM 0 HG LEU B 53 12.559 13.571 5.270 1.00 0.00 H new ATOM 0 HD11 LEU B 53 12.468 12.896 7.705 1.00 0.00 H new ATOM 0 HD12 LEU B 53 13.263 11.683 6.674 1.00 0.00 H new ATOM 0 HD13 LEU B 53 14.243 12.766 7.691 1.00 0.00 H new ATOM 0 HD21 LEU B 53 12.393 15.173 7.153 1.00 0.00 H new ATOM 0 HD22 LEU B 53 14.165 15.340 7.123 1.00 0.00 H new ATOM 0 HD23 LEU B 53 13.200 15.835 5.712 1.00 0.00 H new ATOM 1878 N ARG B 54 18.017 13.795 4.261 1.00 0.00 N ATOM 1879 CA ARG B 54 19.172 13.470 3.401 1.00 0.00 C ATOM 1880 C ARG B 54 20.133 12.479 4.075 1.00 0.00 C ATOM 1881 O ARG B 54 20.751 11.651 3.400 1.00 0.00 O ATOM 1882 CB ARG B 54 19.950 14.750 3.041 1.00 0.00 C ATOM 1883 CG ARG B 54 19.090 15.928 2.547 1.00 0.00 C ATOM 1884 CD ARG B 54 20.003 17.122 2.259 1.00 0.00 C ATOM 1885 NE ARG B 54 19.268 18.397 2.179 1.00 0.00 N ATOM 1886 CZ ARG B 54 18.993 19.185 3.206 1.00 0.00 C ATOM 1887 NH1 ARG B 54 19.190 18.849 4.442 1.00 0.00 N1+ ATOM 1888 NH2 ARG B 54 18.507 20.378 3.038 1.00 0.00 N ATOM 0 H ARG B 54 18.001 14.773 4.551 1.00 0.00 H new ATOM 0 HA ARG B 54 18.773 13.005 2.499 1.00 0.00 H new ATOM 0 HB2 ARG B 54 20.510 15.074 3.918 1.00 0.00 H new ATOM 0 HB3 ARG B 54 20.680 14.506 2.269 1.00 0.00 H new ATOM 0 HG2 ARG B 54 18.544 15.645 1.647 1.00 0.00 H new ATOM 0 HG3 ARG B 54 18.347 16.194 3.299 1.00 0.00 H new ATOM 0 HD2 ARG B 54 20.759 17.192 3.041 1.00 0.00 H new ATOM 0 HD3 ARG B 54 20.530 16.952 1.320 1.00 0.00 H new ATOM 0 HE ARG B 54 18.946 18.696 1.259 1.00 0.00 H new ATOM 0 HH11 ARG B 54 19.577 17.932 4.666 1.00 0.00 H new ATOM 0 HH12 ARG B 54 18.958 19.501 5.191 1.00 0.00 H new ATOM 0 HH21 ARG B 54 18.328 20.728 2.097 1.00 0.00 H new ATOM 0 HH22 ARG B 54 18.304 20.965 3.847 1.00 0.00 H new ATOM 1902 N SER B 55 20.249 12.576 5.407 1.00 0.00 N ATOM 1903 CA SER B 55 21.183 11.799 6.251 1.00 0.00 C ATOM 1904 C SER B 55 20.503 11.049 7.415 1.00 0.00 C ATOM 1905 O SER B 55 21.176 10.309 8.137 1.00 0.00 O ATOM 1906 CB SER B 55 22.289 12.714 6.800 1.00 0.00 C ATOM 1907 OG SER B 55 23.017 13.347 5.753 1.00 0.00 O ATOM 0 H SER B 55 19.676 13.220 5.952 1.00 0.00 H new ATOM 0 HA SER B 55 21.607 11.035 5.599 1.00 0.00 H new ATOM 0 HB2 SER B 55 21.847 13.473 7.446 1.00 0.00 H new ATOM 0 HB3 SER B 55 22.972 12.130 7.416 1.00 0.00 H new ATOM 0 HG SER B 55 23.711 13.922 6.138 1.00 0.00 H new ATOM 1913 N GLY B 56 19.195 11.230 7.628 1.00 0.00 N ATOM 1914 CA GLY B 56 18.425 10.603 8.708 1.00 0.00 C ATOM 1915 C GLY B 56 18.760 11.148 10.101 1.00 0.00 C ATOM 1916 O GLY B 56 18.891 10.369 11.040 1.00 0.00 O ATOM 0 H GLY B 56 18.626 11.835 7.036 1.00 0.00 H new ATOM 0 HA2 GLY B 56 17.362 10.749 8.516 1.00 0.00 H new ATOM 0 HA3 GLY B 56 18.606 9.528 8.695 1.00 0.00 H new ATOM 1920 N VAL B 57 18.941 12.468 10.240 1.00 0.00 N ATOM 1921 CA VAL B 57 19.327 13.106 11.515 1.00 0.00 C ATOM 1922 C VAL B 57 18.190 13.955 12.094 1.00 0.00 C ATOM 1923 O VAL B 57 17.654 14.837 11.419 1.00 0.00 O ATOM 1924 CB VAL B 57 20.636 13.917 11.372 1.00 0.00 C ATOM 1925 CG1 VAL B 57 21.064 14.539 12.710 1.00 0.00 C ATOM 1926 CG2 VAL B 57 21.789 13.022 10.885 1.00 0.00 C ATOM 0 H VAL B 57 18.825 13.129 9.472 1.00 0.00 H new ATOM 0 HA VAL B 57 19.521 12.306 12.230 1.00 0.00 H new ATOM 0 HB VAL B 57 20.432 14.704 10.646 1.00 0.00 H new ATOM 0 HG11 VAL B 57 21.987 15.101 12.571 1.00 0.00 H new ATOM 0 HG12 VAL B 57 20.282 15.209 13.067 1.00 0.00 H new ATOM 0 HG13 VAL B 57 21.227 13.749 13.443 1.00 0.00 H new ATOM 0 HG21 VAL B 57 22.698 13.617 10.793 1.00 0.00 H new ATOM 0 HG22 VAL B 57 21.953 12.218 11.602 1.00 0.00 H new ATOM 0 HG23 VAL B 57 21.534 12.596 9.914 1.00 0.00 H new ATOM 1936 N ILE B 58 17.838 13.696 13.354 1.00 0.00 N ATOM 1937 CA ILE B 58 16.849 14.428 14.156 1.00 0.00 C ATOM 1938 C ILE B 58 17.592 15.251 15.217 1.00 0.00 C ATOM 1939 O ILE B 58 18.201 14.696 16.135 1.00 0.00 O ATOM 1940 CB ILE B 58 15.840 13.425 14.774 1.00 0.00 C ATOM 1941 CG1 ILE B 58 14.977 12.777 13.663 1.00 0.00 C ATOM 1942 CG2 ILE B 58 14.942 14.093 15.833 1.00 0.00 C ATOM 1943 CD1 ILE B 58 14.241 11.510 14.101 1.00 0.00 C ATOM 0 H ILE B 58 18.258 12.926 13.875 1.00 0.00 H new ATOM 0 HA ILE B 58 16.274 15.119 13.539 1.00 0.00 H new ATOM 0 HB ILE B 58 16.415 12.648 15.277 1.00 0.00 H new ATOM 0 HG12 ILE B 58 14.246 13.506 13.314 1.00 0.00 H new ATOM 0 HG13 ILE B 58 15.617 12.537 12.814 1.00 0.00 H new ATOM 0 HG21 ILE B 58 14.250 13.356 16.241 1.00 0.00 H new ATOM 0 HG22 ILE B 58 15.562 14.492 16.636 1.00 0.00 H new ATOM 0 HG23 ILE B 58 14.378 14.904 15.373 1.00 0.00 H new ATOM 0 HD11 ILE B 58 13.660 11.119 13.265 1.00 0.00 H new ATOM 0 HD12 ILE B 58 14.965 10.761 14.421 1.00 0.00 H new ATOM 0 HD13 ILE B 58 13.572 11.745 14.929 1.00 0.00 H new ATOM 1955 N SER B 59 17.569 16.577 15.090 1.00 0.00 N ATOM 1956 CA SER B 59 18.262 17.507 15.997 1.00 0.00 C ATOM 1957 C SER B 59 17.296 18.115 17.013 1.00 0.00 C ATOM 1958 O SER B 59 16.287 18.712 16.630 1.00 0.00 O ATOM 1959 CB SER B 59 18.959 18.629 15.216 1.00 0.00 C ATOM 1960 OG SER B 59 19.865 18.103 14.259 1.00 0.00 O ATOM 0 H SER B 59 17.061 17.049 14.342 1.00 0.00 H new ATOM 0 HA SER B 59 19.016 16.929 16.532 1.00 0.00 H new ATOM 0 HB2 SER B 59 18.212 19.244 14.714 1.00 0.00 H new ATOM 0 HB3 SER B 59 19.494 19.279 15.908 1.00 0.00 H new ATOM 0 HG SER B 59 20.294 18.839 13.775 1.00 0.00 H new ATOM 1966 N LEU B 60 17.609 17.990 18.305 1.00 0.00 N ATOM 1967 CA LEU B 60 16.830 18.572 19.402 1.00 0.00 C ATOM 1968 C LEU B 60 17.400 19.936 19.837 1.00 0.00 C ATOM 1969 O LEU B 60 18.604 20.184 19.728 1.00 0.00 O ATOM 1970 CB LEU B 60 16.740 17.600 20.593 1.00 0.00 C ATOM 1971 CG LEU B 60 16.343 16.146 20.254 1.00 0.00 C ATOM 1972 CD1 LEU B 60 16.101 15.375 21.552 1.00 0.00 C ATOM 1973 CD2 LEU B 60 15.069 16.056 19.406 1.00 0.00 C ATOM 0 H LEU B 60 18.427 17.471 18.625 1.00 0.00 H new ATOM 0 HA LEU B 60 15.819 18.744 19.033 1.00 0.00 H new ATOM 0 HB2 LEU B 60 17.707 17.583 21.096 1.00 0.00 H new ATOM 0 HB3 LEU B 60 16.016 17.996 21.305 1.00 0.00 H new ATOM 0 HG LEU B 60 17.164 15.722 19.676 1.00 0.00 H new ATOM 0 HD11 LEU B 60 15.820 14.348 21.318 1.00 0.00 H new ATOM 0 HD12 LEU B 60 17.012 15.375 22.150 1.00 0.00 H new ATOM 0 HD13 LEU B 60 15.298 15.852 22.114 1.00 0.00 H new ATOM 0 HD21 LEU B 60 14.842 15.010 19.201 1.00 0.00 H new ATOM 0 HD22 LEU B 60 14.238 16.508 19.948 1.00 0.00 H new ATOM 0 HD23 LEU B 60 15.220 16.586 18.465 1.00 0.00 H new ATOM 1985 N ILE B 61 16.535 20.798 20.370 1.00 0.00 N ATOM 1986 CA ILE B 61 16.834 22.137 20.904 1.00 0.00 C ATOM 1987 C ILE B 61 16.154 22.334 22.266 1.00 0.00 C ATOM 1988 O ILE B 61 15.206 21.619 22.588 1.00 0.00 O ATOM 1989 CB ILE B 61 16.464 23.244 19.881 1.00 0.00 C ATOM 1990 CG1 ILE B 61 14.997 23.242 19.387 1.00 0.00 C ATOM 1991 CG2 ILE B 61 17.402 23.173 18.665 1.00 0.00 C ATOM 1992 CD1 ILE B 61 13.994 23.935 20.318 1.00 0.00 C ATOM 0 H ILE B 61 15.544 20.571 20.448 1.00 0.00 H new ATOM 0 HA ILE B 61 17.909 22.220 21.067 1.00 0.00 H new ATOM 0 HB ILE B 61 16.585 24.176 20.433 1.00 0.00 H new ATOM 0 HG12 ILE B 61 14.958 23.727 18.412 1.00 0.00 H new ATOM 0 HG13 ILE B 61 14.680 22.209 19.242 1.00 0.00 H new ATOM 0 HG21 ILE B 61 17.134 23.954 17.953 1.00 0.00 H new ATOM 0 HG22 ILE B 61 18.432 23.317 18.991 1.00 0.00 H new ATOM 0 HG23 ILE B 61 17.306 22.198 18.188 1.00 0.00 H new ATOM 0 HD11 ILE B 61 12.996 23.880 19.883 1.00 0.00 H new ATOM 0 HD12 ILE B 61 13.995 23.439 21.288 1.00 0.00 H new ATOM 0 HD13 ILE B 61 14.277 24.980 20.445 1.00 0.00 H new ATOM 2004 N GLU B 62 16.619 23.282 23.083 1.00 0.00 N ATOM 2005 CA GLU B 62 15.955 23.601 24.358 1.00 0.00 C ATOM 2006 C GLU B 62 14.642 24.376 24.136 1.00 0.00 C ATOM 2007 O GLU B 62 14.580 25.313 23.337 1.00 0.00 O ATOM 2008 CB GLU B 62 16.879 24.370 25.314 1.00 0.00 C ATOM 2009 CG GLU B 62 18.111 23.548 25.733 1.00 0.00 C ATOM 2010 CD GLU B 62 18.809 24.138 26.976 1.00 0.00 C ATOM 2011 OE1 GLU B 62 18.159 24.291 28.039 1.00 0.00 O ATOM 2012 OE2 GLU B 62 20.024 24.448 26.920 1.00 0.00 O1- ATOM 0 H GLU B 62 17.449 23.842 22.889 1.00 0.00 H new ATOM 0 HA GLU B 62 15.712 22.648 24.827 1.00 0.00 H new ATOM 0 HB2 GLU B 62 17.208 25.291 24.833 1.00 0.00 H new ATOM 0 HB3 GLU B 62 16.318 24.657 26.204 1.00 0.00 H new ATOM 0 HG2 GLU B 62 17.808 22.522 25.941 1.00 0.00 H new ATOM 0 HG3 GLU B 62 18.819 23.509 24.905 1.00 0.00 H new ATOM 2019 N GLU B 63 13.590 24.011 24.874 1.00 0.00 N ATOM 2020 CA GLU B 63 12.272 24.673 24.815 1.00 0.00 C ATOM 2021 C GLU B 63 12.264 26.060 25.503 1.00 0.00 C ATOM 2022 O GLU B 63 11.412 26.897 25.203 1.00 0.00 O ATOM 2023 CB GLU B 63 11.193 23.719 25.366 1.00 0.00 C ATOM 2024 CG GLU B 63 11.260 23.418 26.878 1.00 0.00 C ATOM 2025 CD GLU B 63 10.347 24.285 27.778 1.00 0.00 C ATOM 2026 OE1 GLU B 63 9.373 24.913 27.298 1.00 0.00 O ATOM 2027 OE2 GLU B 63 10.598 24.315 29.011 1.00 0.00 O1- ATOM 0 H GLU B 63 13.624 23.239 25.539 1.00 0.00 H new ATOM 0 HA GLU B 63 12.039 24.885 23.772 1.00 0.00 H new ATOM 0 HB2 GLU B 63 10.214 24.144 25.144 1.00 0.00 H new ATOM 0 HB3 GLU B 63 11.261 22.775 24.825 1.00 0.00 H new ATOM 0 HG2 GLU B 63 11.002 22.370 27.033 1.00 0.00 H new ATOM 0 HG3 GLU B 63 12.291 23.544 27.209 1.00 0.00 H new