USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 851 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -61:sc= 0.222 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : B 3 MET CE :methyl 167:sc= -0.102 (180deg=-0.491) USER MOD Single : B 5 LYS NZ :NH3+ -171:sc= 1.27 (180deg=1.13) USER MOD Single : B 9 THR OG1 : rot 180:sc= 0 USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 THR OG1 : rot -130:sc= 0.00149 USER MOD Single : B 35 THR OG1 : rot -59:sc= 0.169 USER MOD Single : B 41 HIS : no HD1:sc=-0.00195 X(o=-0.002,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 10.649 11.222 3.917 1.00 0.00 N ATOM 88 CA ALA A 4 9.420 11.466 4.676 1.00 0.00 C ATOM 89 C ALA A 4 8.416 12.396 3.951 1.00 0.00 C ATOM 90 O ALA A 4 8.672 12.889 2.844 1.00 0.00 O ATOM 91 CB ALA A 4 9.837 12.032 6.042 1.00 0.00 C ATOM 0 HA ALA A 4 8.879 10.527 4.790 1.00 0.00 H new ATOM 0 HB1 ALA A 4 8.948 12.229 6.641 1.00 0.00 H new ATOM 0 HB2 ALA A 4 10.470 11.309 6.558 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.390 12.960 5.898 1.00 0.00 H new ATOM 97 N LYS A 5 7.283 12.674 4.609 1.00 0.00 N ATOM 98 CA LYS A 5 6.344 13.771 4.311 1.00 0.00 C ATOM 99 C LYS A 5 5.976 14.556 5.578 1.00 0.00 C ATOM 100 O LYS A 5 5.918 13.977 6.665 1.00 0.00 O ATOM 101 CB LYS A 5 5.108 13.234 3.567 1.00 0.00 C ATOM 102 CG LYS A 5 4.239 12.266 4.389 1.00 0.00 C ATOM 103 CD LYS A 5 3.063 11.749 3.550 1.00 0.00 C ATOM 104 CE LYS A 5 2.233 10.755 4.369 1.00 0.00 C ATOM 105 NZ LYS A 5 1.115 10.196 3.565 1.00 0.00 N1+ ATOM 0 H LYS A 5 6.978 12.113 5.405 1.00 0.00 H new ATOM 0 HA LYS A 5 6.839 14.480 3.647 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.493 14.078 3.254 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.437 12.726 2.661 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.845 11.427 4.732 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.863 12.772 5.278 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.437 12.583 3.233 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.435 11.267 2.646 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.873 9.945 4.719 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.835 11.252 5.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.571 9.526 4.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 0.493 10.968 3.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 1.498 9.702 2.734 1.00 0.00 H new ATOM 119 N VAL A 6 5.713 15.857 5.444 1.00 0.00 N ATOM 120 CA VAL A 6 5.246 16.728 6.541 1.00 0.00 C ATOM 121 C VAL A 6 3.727 16.920 6.462 1.00 0.00 C ATOM 122 O VAL A 6 3.182 16.981 5.358 1.00 0.00 O ATOM 123 CB VAL A 6 5.969 18.090 6.543 1.00 0.00 C ATOM 124 CG1 VAL A 6 5.699 18.898 7.818 1.00 0.00 C ATOM 125 CG2 VAL A 6 7.489 17.947 6.392 1.00 0.00 C ATOM 0 H VAL A 6 5.818 16.350 4.557 1.00 0.00 H new ATOM 0 HA VAL A 6 5.490 16.232 7.481 1.00 0.00 H new ATOM 0 HB VAL A 6 5.562 18.619 5.681 1.00 0.00 H new ATOM 0 HG11 VAL A 6 6.232 19.847 7.767 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.629 19.087 7.909 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.044 18.335 8.685 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.950 18.935 6.399 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.883 17.357 7.219 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.716 17.448 5.450 1.00 0.00 H new ATOM 135 N VAL A 7 3.042 17.040 7.603 1.00 0.00 N ATOM 136 CA VAL A 7 1.584 17.270 7.693 1.00 0.00 C ATOM 137 C VAL A 7 1.214 18.247 8.821 1.00 0.00 C ATOM 138 O VAL A 7 1.815 18.234 9.901 1.00 0.00 O ATOM 139 CB VAL A 7 0.827 15.927 7.802 1.00 0.00 C ATOM 140 CG1 VAL A 7 1.175 15.115 9.058 1.00 0.00 C ATOM 141 CG2 VAL A 7 -0.696 16.126 7.776 1.00 0.00 C ATOM 0 H VAL A 7 3.491 16.979 8.517 1.00 0.00 H new ATOM 0 HA VAL A 7 1.266 17.754 6.769 1.00 0.00 H new ATOM 0 HB VAL A 7 1.156 15.365 6.928 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.603 14.187 9.061 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.240 14.885 9.059 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.929 15.696 9.947 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.191 15.158 7.855 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.995 16.756 8.614 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.984 16.606 6.841 1.00 0.00 H new ATOM 151 N LEU A 8 0.220 19.103 8.556 1.00 0.00 N ATOM 152 CA LEU A 8 -0.279 20.152 9.463 1.00 0.00 C ATOM 153 C LEU A 8 -1.763 20.488 9.229 1.00 0.00 C ATOM 154 O LEU A 8 -2.291 20.285 8.131 1.00 0.00 O ATOM 155 CB LEU A 8 0.612 21.398 9.322 1.00 0.00 C ATOM 156 CG LEU A 8 0.526 22.107 7.955 1.00 0.00 C ATOM 157 CD1 LEU A 8 -0.420 23.314 7.979 1.00 0.00 C ATOM 158 CD2 LEU A 8 1.902 22.606 7.521 1.00 0.00 C ATOM 0 H LEU A 8 -0.282 19.086 7.668 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.224 19.776 10.485 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.342 22.110 10.102 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.648 21.108 9.500 1.00 0.00 H new ATOM 0 HG LEU A 8 0.140 21.366 7.255 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.444 23.777 6.993 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.423 22.985 8.250 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.066 24.039 8.712 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.821 23.103 6.554 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.283 23.310 8.260 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.586 21.761 7.438 1.00 0.00 H new ATOM 266 N VAL A 16 -2.717 20.680 5.052 1.00 0.00 N ATOM 267 CA VAL A 16 -1.619 20.809 4.083 1.00 0.00 C ATOM 268 C VAL A 16 -0.614 19.672 4.289 1.00 0.00 C ATOM 269 O VAL A 16 -0.256 19.338 5.420 1.00 0.00 O ATOM 270 CB VAL A 16 -0.930 22.188 4.195 1.00 0.00 C ATOM 271 CG1 VAL A 16 0.195 22.361 3.162 1.00 0.00 C ATOM 272 CG2 VAL A 16 -1.925 23.345 4.009 1.00 0.00 C ATOM 0 HA VAL A 16 -2.032 20.737 3.077 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.510 22.219 5.201 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.649 23.345 3.280 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.952 21.592 3.316 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.217 22.269 2.157 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.398 24.295 4.095 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.386 23.274 3.024 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.698 23.287 4.776 1.00 0.00 H new ATOM 282 N GLU A 17 -0.128 19.094 3.189 1.00 0.00 N ATOM 283 CA GLU A 17 0.909 18.054 3.174 1.00 0.00 C ATOM 284 C GLU A 17 2.081 18.459 2.263 1.00 0.00 C ATOM 285 O GLU A 17 1.871 19.044 1.191 1.00 0.00 O ATOM 286 CB GLU A 17 0.348 16.685 2.742 1.00 0.00 C ATOM 287 CG GLU A 17 -0.831 16.166 3.585 1.00 0.00 C ATOM 288 CD GLU A 17 -2.198 16.802 3.229 1.00 0.00 C ATOM 289 OE1 GLU A 17 -3.022 17.002 4.155 1.00 0.00 O ATOM 290 OE2 GLU A 17 -2.481 17.057 2.030 1.00 0.00 O1- ATOM 0 H GLU A 17 -0.453 19.342 2.255 1.00 0.00 H new ATOM 0 HA GLU A 17 1.275 17.956 4.196 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.029 16.753 1.702 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.153 15.951 2.781 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.903 15.085 3.461 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.620 16.353 4.638 1.00 0.00 H new ATOM 297 N ILE A 18 3.311 18.125 2.668 1.00 0.00 N ATOM 298 CA ILE A 18 4.555 18.418 1.943 1.00 0.00 C ATOM 299 C ILE A 18 5.352 17.118 1.762 1.00 0.00 C ATOM 300 O ILE A 18 6.062 16.681 2.672 1.00 0.00 O ATOM 301 CB ILE A 18 5.368 19.546 2.630 1.00 0.00 C ATOM 302 CG1 ILE A 18 4.540 20.827 2.915 1.00 0.00 C ATOM 303 CG2 ILE A 18 6.568 19.919 1.741 1.00 0.00 C ATOM 304 CD1 ILE A 18 3.954 20.863 4.334 1.00 0.00 C ATOM 0 H ILE A 18 3.475 17.625 3.542 1.00 0.00 H new ATOM 0 HA ILE A 18 4.317 18.804 0.952 1.00 0.00 H new ATOM 0 HB ILE A 18 5.689 19.153 3.595 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.173 21.702 2.768 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.728 20.896 2.191 1.00 0.00 H new ATOM 0 HG21 ILE A 18 7.143 20.712 2.220 1.00 0.00 H new ATOM 0 HG22 ILE A 18 7.203 19.044 1.601 1.00 0.00 H new ATOM 0 HG23 ILE A 18 6.209 20.266 0.772 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.386 21.784 4.470 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.296 20.006 4.478 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.763 20.825 5.063 1.00 0.00 H new ATOM 316 N GLY A 19 5.200 16.477 0.600 1.00 0.00 N ATOM 317 CA GLY A 19 5.910 15.240 0.240 1.00 0.00 C ATOM 318 C GLY A 19 7.338 15.471 -0.272 1.00 0.00 C ATOM 319 O GLY A 19 7.694 16.581 -0.677 1.00 0.00 O ATOM 0 H GLY A 19 4.570 16.806 -0.132 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.948 14.587 1.112 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.340 14.715 -0.526 1.00 0.00 H new ATOM 323 N ASP A 20 8.146 14.407 -0.281 1.00 0.00 N ATOM 324 CA ASP A 20 9.552 14.411 -0.742 1.00 0.00 C ATOM 325 C ASP A 20 10.406 15.501 -0.051 1.00 0.00 C ATOM 326 O ASP A 20 11.205 16.197 -0.684 1.00 0.00 O ATOM 327 CB ASP A 20 9.638 14.410 -2.277 1.00 0.00 C ATOM 328 CG ASP A 20 8.835 13.279 -2.955 1.00 0.00 C ATOM 329 OD1 ASP A 20 8.644 12.197 -2.348 1.00 0.00 O ATOM 330 OD2 ASP A 20 8.427 13.453 -4.129 1.00 0.00 O1- ATOM 0 H ASP A 20 7.839 13.489 0.040 1.00 0.00 H new ATOM 0 HA ASP A 20 10.009 13.475 -0.421 1.00 0.00 H new ATOM 0 HB2 ASP A 20 9.279 15.369 -2.650 1.00 0.00 H new ATOM 0 HB3 ASP A 20 10.684 14.324 -2.571 1.00 0.00 H new ATOM 335 N VAL A 21 10.209 15.687 1.262 1.00 0.00 N ATOM 336 CA VAL A 21 10.947 16.663 2.074 1.00 0.00 C ATOM 337 C VAL A 21 12.398 16.229 2.289 1.00 0.00 C ATOM 338 O VAL A 21 12.670 15.063 2.585 1.00 0.00 O ATOM 339 CB VAL A 21 10.211 16.953 3.397 1.00 0.00 C ATOM 340 CG1 VAL A 21 9.835 15.711 4.209 1.00 0.00 C ATOM 341 CG2 VAL A 21 11.026 17.873 4.301 1.00 0.00 C ATOM 0 H VAL A 21 9.522 15.155 1.797 1.00 0.00 H new ATOM 0 HA VAL A 21 10.986 17.603 1.523 1.00 0.00 H new ATOM 0 HB VAL A 21 9.286 17.432 3.077 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.322 16.014 5.122 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.177 15.075 3.617 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.738 15.158 4.467 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.476 18.056 5.224 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.981 17.402 4.534 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.204 18.820 3.791 1.00 0.00 H new ATOM 351 N LEU A 22 13.340 17.171 2.162 1.00 0.00 N ATOM 352 CA LEU A 22 14.761 16.947 2.446 1.00 0.00 C ATOM 353 C LEU A 22 15.187 17.499 3.814 1.00 0.00 C ATOM 354 O LEU A 22 16.070 16.925 4.451 1.00 0.00 O ATOM 355 CB LEU A 22 15.616 17.577 1.333 1.00 0.00 C ATOM 356 CG LEU A 22 15.324 17.089 -0.098 1.00 0.00 C ATOM 357 CD1 LEU A 22 16.407 17.623 -1.035 1.00 0.00 C ATOM 358 CD2 LEU A 22 15.272 15.564 -0.230 1.00 0.00 C ATOM 0 H LEU A 22 13.134 18.122 1.855 1.00 0.00 H new ATOM 0 HA LEU A 22 14.920 15.869 2.477 1.00 0.00 H new ATOM 0 HB2 LEU A 22 15.477 18.658 1.363 1.00 0.00 H new ATOM 0 HB3 LEU A 22 16.666 17.384 1.555 1.00 0.00 H new ATOM 0 HG LEU A 22 14.336 17.466 -0.361 1.00 0.00 H new ATOM 0 HD11 LEU A 22 16.209 17.283 -2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 22 16.405 18.713 -1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 22 17.381 17.255 -0.712 1.00 0.00 H new ATOM 0 HD21 LEU A 22 15.062 15.295 -1.265 1.00 0.00 H new ATOM 0 HD22 LEU A 22 16.231 15.140 0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 22 14.486 15.170 0.414 1.00 0.00 H new ATOM 370 N GLU A 23 14.556 18.580 4.285 1.00 0.00 N ATOM 371 CA GLU A 23 14.889 19.248 5.552 1.00 0.00 C ATOM 372 C GLU A 23 13.687 20.007 6.150 1.00 0.00 C ATOM 373 O GLU A 23 12.921 20.635 5.419 1.00 0.00 O ATOM 374 CB GLU A 23 16.087 20.188 5.303 1.00 0.00 C ATOM 375 CG GLU A 23 16.576 20.929 6.558 1.00 0.00 C ATOM 376 CD GLU A 23 17.812 21.814 6.299 1.00 0.00 C ATOM 377 OE1 GLU A 23 18.255 22.499 7.251 1.00 0.00 O ATOM 378 OE2 GLU A 23 18.318 21.896 5.151 1.00 0.00 O1- ATOM 0 H GLU A 23 13.784 19.025 3.788 1.00 0.00 H new ATOM 0 HA GLU A 23 15.156 18.494 6.292 1.00 0.00 H new ATOM 0 HB2 GLU A 23 16.912 19.606 4.893 1.00 0.00 H new ATOM 0 HB3 GLU A 23 15.808 20.922 4.547 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.767 21.550 6.944 1.00 0.00 H new ATOM 0 HG3 GLU A 23 16.815 20.200 7.332 1.00 0.00 H new ATOM 385 N VAL A 24 13.568 19.994 7.481 1.00 0.00 N ATOM 386 CA VAL A 24 12.574 20.740 8.282 1.00 0.00 C ATOM 387 C VAL A 24 13.256 21.374 9.502 1.00 0.00 C ATOM 388 O VAL A 24 14.113 20.744 10.120 1.00 0.00 O ATOM 389 CB VAL A 24 11.410 19.833 8.751 1.00 0.00 C ATOM 390 CG1 VAL A 24 10.257 20.624 9.385 1.00 0.00 C ATOM 391 CG2 VAL A 24 10.822 18.954 7.652 1.00 0.00 C ATOM 0 H VAL A 24 14.191 19.436 8.065 1.00 0.00 H new ATOM 0 HA VAL A 24 12.155 21.518 7.643 1.00 0.00 H new ATOM 0 HB VAL A 24 11.880 19.192 9.497 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.470 19.936 9.694 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.625 21.169 10.254 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.856 21.329 8.657 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.013 18.350 8.063 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.434 19.583 6.851 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.598 18.299 7.256 1.00 0.00 H new ATOM 401 N ARG A 25 12.854 22.589 9.882 1.00 0.00 N ATOM 402 CA ARG A 25 13.299 23.306 11.089 1.00 0.00 C ATOM 403 C ARG A 25 12.119 23.953 11.817 1.00 0.00 C ATOM 404 O ARG A 25 11.261 24.560 11.181 1.00 0.00 O ATOM 405 CB ARG A 25 14.313 24.401 10.725 1.00 0.00 C ATOM 406 CG ARG A 25 15.573 23.890 10.018 1.00 0.00 C ATOM 407 CD ARG A 25 16.567 25.043 9.827 1.00 0.00 C ATOM 408 NE ARG A 25 17.698 24.640 8.973 1.00 0.00 N ATOM 409 CZ ARG A 25 18.763 25.354 8.667 1.00 0.00 C ATOM 410 NH1 ARG A 25 18.993 26.539 9.157 1.00 0.00 N1+ ATOM 411 NH2 ARG A 25 19.625 24.855 7.830 1.00 0.00 N ATOM 0 H ARG A 25 12.181 23.127 9.337 1.00 0.00 H new ATOM 0 HA ARG A 25 13.766 22.572 11.746 1.00 0.00 H new ATOM 0 HB2 ARG A 25 13.823 25.133 10.083 1.00 0.00 H new ATOM 0 HB3 ARG A 25 14.609 24.922 11.636 1.00 0.00 H new ATOM 0 HG2 ARG A 25 16.033 23.095 10.605 1.00 0.00 H new ATOM 0 HG3 ARG A 25 15.310 23.461 9.051 1.00 0.00 H new ATOM 0 HD2 ARG A 25 16.056 25.896 9.379 1.00 0.00 H new ATOM 0 HD3 ARG A 25 16.940 25.369 10.798 1.00 0.00 H new ATOM 0 HE ARG A 25 17.652 23.703 8.573 1.00 0.00 H new ATOM 0 HH11 ARG A 25 18.332 26.957 9.812 1.00 0.00 H new ATOM 0 HH12 ARG A 25 19.834 27.048 8.886 1.00 0.00 H new ATOM 0 HH21 ARG A 25 19.468 23.931 7.427 1.00 0.00 H new ATOM 0 HH22 ARG A 25 20.457 25.388 7.577 1.00 0.00 H new ATOM 425 N ALA A 26 12.112 23.876 13.143 1.00 0.00 N ATOM 426 CA ALA A 26 11.312 24.725 14.023 1.00 0.00 C ATOM 427 C ALA A 26 12.137 25.955 14.445 1.00 0.00 C ATOM 428 O ALA A 26 13.303 25.838 14.832 1.00 0.00 O ATOM 429 CB ALA A 26 10.839 23.894 15.224 1.00 0.00 C ATOM 0 H ALA A 26 12.681 23.200 13.653 1.00 0.00 H new ATOM 0 HA ALA A 26 10.427 25.094 13.505 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.241 24.520 15.886 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.235 23.057 14.872 1.00 0.00 H new ATOM 0 HB3 ALA A 26 11.704 23.514 15.767 1.00 0.00 H new ATOM 464 N ALA A 30 7.759 30.012 13.785 1.00 0.00 N ATOM 465 CA ALA A 30 7.317 29.261 12.603 1.00 0.00 C ATOM 466 C ALA A 30 8.029 27.905 12.458 1.00 0.00 C ATOM 467 O ALA A 30 9.142 27.715 12.955 1.00 0.00 O ATOM 468 CB ALA A 30 7.587 30.108 11.341 1.00 0.00 C ATOM 0 HA ALA A 30 6.253 29.058 12.724 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.262 29.558 10.458 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.036 31.046 11.408 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.654 30.318 11.265 1.00 0.00 H new ATOM 474 N VAL A 31 7.430 26.989 11.687 1.00 0.00 N ATOM 475 CA VAL A 31 8.155 25.884 11.028 1.00 0.00 C ATOM 476 C VAL A 31 8.531 26.287 9.601 1.00 0.00 C ATOM 477 O VAL A 31 7.745 26.937 8.913 1.00 0.00 O ATOM 478 CB VAL A 31 7.367 24.561 11.063 1.00 0.00 C ATOM 479 CG1 VAL A 31 7.975 23.447 10.202 1.00 0.00 C ATOM 480 CG2 VAL A 31 7.327 24.029 12.498 1.00 0.00 C ATOM 0 H VAL A 31 6.427 26.989 11.499 1.00 0.00 H new ATOM 0 HA VAL A 31 9.071 25.699 11.589 1.00 0.00 H new ATOM 0 HB VAL A 31 6.380 24.802 10.668 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.361 22.550 10.281 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.012 23.770 9.162 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.984 23.228 10.550 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.769 23.093 12.524 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.344 23.856 12.850 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.839 24.759 13.143 1.00 0.00 H new ATOM 490 N ARG A 32 9.717 25.876 9.140 1.00 0.00 N ATOM 491 CA ARG A 32 10.214 26.038 7.759 1.00 0.00 C ATOM 492 C ARG A 32 10.719 24.710 7.201 1.00 0.00 C ATOM 493 O ARG A 32 11.264 23.900 7.951 1.00 0.00 O ATOM 494 CB ARG A 32 11.284 27.143 7.720 1.00 0.00 C ATOM 495 CG ARG A 32 10.636 28.533 7.800 1.00 0.00 C ATOM 496 CD ARG A 32 11.673 29.654 7.883 1.00 0.00 C ATOM 497 NE ARG A 32 11.054 30.959 7.552 1.00 0.00 N ATOM 498 CZ ARG A 32 10.848 31.997 8.346 1.00 0.00 C ATOM 499 NH1 ARG A 32 11.287 32.061 9.569 1.00 0.00 N1+ ATOM 500 NH2 ARG A 32 10.186 33.024 7.892 1.00 0.00 N ATOM 0 H ARG A 32 10.390 25.400 9.741 1.00 0.00 H new ATOM 0 HA ARG A 32 9.394 26.349 7.112 1.00 0.00 H new ATOM 0 HB2 ARG A 32 11.978 27.012 8.550 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.865 27.060 6.802 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.006 28.688 6.924 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.985 28.578 8.673 1.00 0.00 H new ATOM 0 HD2 ARG A 32 12.098 29.690 8.886 1.00 0.00 H new ATOM 0 HD3 ARG A 32 12.494 29.450 7.196 1.00 0.00 H new ATOM 0 HE ARG A 32 10.747 31.072 6.586 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.820 31.285 9.961 1.00 0.00 H new ATOM 0 HH12 ARG A 32 11.098 32.887 10.136 1.00 0.00 H new ATOM 0 HH21 ARG A 32 9.834 33.021 6.935 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.020 33.831 8.494 1.00 0.00 H new ATOM 514 N VAL A 33 10.512 24.463 5.910 1.00 0.00 N ATOM 515 CA VAL A 33 10.742 23.152 5.265 1.00 0.00 C ATOM 516 C VAL A 33 11.079 23.282 3.775 1.00 0.00 C ATOM 517 O VAL A 33 10.501 24.113 3.073 1.00 0.00 O ATOM 518 CB VAL A 33 9.573 22.166 5.549 1.00 0.00 C ATOM 519 CG1 VAL A 33 8.196 22.792 5.791 1.00 0.00 C ATOM 520 CG2 VAL A 33 9.393 21.080 4.484 1.00 0.00 C ATOM 0 H VAL A 33 10.174 25.175 5.262 1.00 0.00 H new ATOM 0 HA VAL A 33 11.631 22.716 5.722 1.00 0.00 H new ATOM 0 HB VAL A 33 9.918 21.731 6.487 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.466 22.004 5.977 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.244 23.454 6.656 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.897 23.364 4.913 1.00 0.00 H new ATOM 0 HG21 VAL A 33 8.558 20.436 4.759 1.00 0.00 H new ATOM 0 HG22 VAL A 33 9.190 21.546 3.520 1.00 0.00 H new ATOM 0 HG23 VAL A 33 10.303 20.484 4.415 1.00 0.00 H new ATOM 530 N THR A 34 12.003 22.442 3.297 1.00 0.00 N ATOM 531 CA THR A 34 12.523 22.435 1.910 1.00 0.00 C ATOM 532 C THR A 34 12.417 21.043 1.270 1.00 0.00 C ATOM 533 O THR A 34 12.684 20.027 1.915 1.00 0.00 O ATOM 534 CB THR A 34 13.976 22.945 1.854 1.00 0.00 C ATOM 535 OG1 THR A 34 14.052 24.253 2.385 1.00 0.00 O ATOM 536 CG2 THR A 34 14.550 23.024 0.436 1.00 0.00 C ATOM 0 H THR A 34 12.429 21.720 3.879 1.00 0.00 H new ATOM 0 HA THR A 34 11.898 23.117 1.333 1.00 0.00 H new ATOM 0 HB THR A 34 14.553 22.221 2.430 1.00 0.00 H new ATOM 0 HG1 THR A 34 14.979 24.568 2.347 1.00 0.00 H new ATOM 0 HG21 THR A 34 15.575 23.391 0.478 1.00 0.00 H new ATOM 0 HG22 THR A 34 14.538 22.033 -0.017 1.00 0.00 H new ATOM 0 HG23 THR A 34 13.946 23.704 -0.164 1.00 0.00 H new ATOM 544 N THR A 35 12.029 20.989 -0.012 1.00 0.00 N ATOM 545 CA THR A 35 11.696 19.755 -0.756 1.00 0.00 C ATOM 546 C THR A 35 12.725 19.363 -1.821 1.00 0.00 C ATOM 547 O THR A 35 13.583 20.155 -2.226 1.00 0.00 O ATOM 548 CB THR A 35 10.313 19.876 -1.427 1.00 0.00 C ATOM 549 OG1 THR A 35 10.336 20.820 -2.478 1.00 0.00 O ATOM 550 CG2 THR A 35 9.201 20.259 -0.454 1.00 0.00 C ATOM 0 H THR A 35 11.934 21.829 -0.583 1.00 0.00 H new ATOM 0 HA THR A 35 11.696 18.967 -0.003 1.00 0.00 H new ATOM 0 HB THR A 35 10.094 18.881 -1.816 1.00 0.00 H new ATOM 0 HG1 THR A 35 10.572 21.701 -2.121 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.255 20.327 -0.991 1.00 0.00 H new ATOM 0 HG22 THR A 35 9.122 19.501 0.325 1.00 0.00 H new ATOM 0 HG23 THR A 35 9.431 21.223 -0.000 1.00 0.00 H new ATOM 558 N LEU A 36 12.595 18.130 -2.326 1.00 0.00 N ATOM 559 CA LEU A 36 13.317 17.571 -3.471 1.00 0.00 C ATOM 560 C LEU A 36 13.179 18.417 -4.754 1.00 0.00 C ATOM 561 O LEU A 36 14.090 18.447 -5.587 1.00 0.00 O ATOM 562 CB LEU A 36 12.785 16.134 -3.651 1.00 0.00 C ATOM 563 CG LEU A 36 13.211 15.402 -4.940 1.00 0.00 C ATOM 564 CD1 LEU A 36 13.369 13.907 -4.671 1.00 0.00 C ATOM 565 CD2 LEU A 36 12.144 15.527 -6.029 1.00 0.00 C ATOM 0 H LEU A 36 11.944 17.458 -1.921 1.00 0.00 H new ATOM 0 HA LEU A 36 14.390 17.573 -3.279 1.00 0.00 H new ATOM 0 HB2 LEU A 36 13.110 15.540 -2.797 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.696 16.166 -3.620 1.00 0.00 H new ATOM 0 HG LEU A 36 14.148 15.857 -5.263 1.00 0.00 H new ATOM 0 HD11 LEU A 36 13.670 13.402 -5.589 1.00 0.00 H new ATOM 0 HD12 LEU A 36 14.130 13.753 -3.906 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.420 13.497 -4.326 1.00 0.00 H new ATOM 0 HD21 LEU A 36 12.475 15.001 -6.924 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.210 15.090 -5.675 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.986 16.579 -6.264 1.00 0.00 H new ATOM 577 N PHE A 37 12.062 19.138 -4.904 1.00 0.00 N ATOM 578 CA PHE A 37 11.771 20.021 -6.041 1.00 0.00 C ATOM 579 C PHE A 37 12.457 21.396 -5.949 1.00 0.00 C ATOM 580 O PHE A 37 12.176 22.282 -6.758 1.00 0.00 O ATOM 581 CB PHE A 37 10.244 20.134 -6.175 1.00 0.00 C ATOM 582 CG PHE A 37 9.535 18.792 -6.241 1.00 0.00 C ATOM 583 CD1 PHE A 37 8.905 18.275 -5.093 1.00 0.00 C ATOM 584 CD2 PHE A 37 9.544 18.043 -7.432 1.00 0.00 C ATOM 585 CE1 PHE A 37 8.276 17.020 -5.140 1.00 0.00 C ATOM 586 CE2 PHE A 37 8.908 16.789 -7.480 1.00 0.00 C ATOM 587 CZ PHE A 37 8.282 16.276 -6.330 1.00 0.00 C ATOM 0 H PHE A 37 11.310 19.123 -4.215 1.00 0.00 H new ATOM 0 HA PHE A 37 12.194 19.579 -6.943 1.00 0.00 H new ATOM 0 HB2 PHE A 37 9.855 20.699 -5.328 1.00 0.00 H new ATOM 0 HB3 PHE A 37 10.008 20.704 -7.074 1.00 0.00 H new ATOM 0 HD1 PHE A 37 8.905 18.844 -4.175 1.00 0.00 H new ATOM 0 HD2 PHE A 37 10.039 18.431 -8.310 1.00 0.00 H new ATOM 0 HE1 PHE A 37 7.788 16.628 -4.260 1.00 0.00 H new ATOM 0 HE2 PHE A 37 8.901 16.221 -8.399 1.00 0.00 H new ATOM 0 HZ PHE A 37 7.805 15.308 -6.363 1.00 0.00 H new ATOM 597 N ASP A 38 13.333 21.599 -4.954 1.00 0.00 N ATOM 598 CA ASP A 38 13.957 22.874 -4.562 1.00 0.00 C ATOM 599 C ASP A 38 12.960 23.968 -4.105 1.00 0.00 C ATOM 600 O ASP A 38 13.336 25.130 -3.932 1.00 0.00 O ATOM 601 CB ASP A 38 14.956 23.376 -5.623 1.00 0.00 C ATOM 602 CG ASP A 38 15.996 22.327 -6.053 1.00 0.00 C ATOM 603 OD1 ASP A 38 16.549 21.615 -5.181 1.00 0.00 O ATOM 604 OD2 ASP A 38 16.310 22.246 -7.267 1.00 0.00 O1- ATOM 0 H ASP A 38 13.645 20.829 -4.363 1.00 0.00 H new ATOM 0 HA ASP A 38 14.529 22.647 -3.662 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.401 23.704 -6.502 1.00 0.00 H new ATOM 0 HB3 ASP A 38 15.477 24.249 -5.231 1.00 0.00 H new ATOM 609 N GLU A 39 11.691 23.614 -3.884 1.00 0.00 N ATOM 610 CA GLU A 39 10.671 24.496 -3.307 1.00 0.00 C ATOM 611 C GLU A 39 10.775 24.532 -1.770 1.00 0.00 C ATOM 612 O GLU A 39 11.107 23.526 -1.133 1.00 0.00 O ATOM 613 CB GLU A 39 9.267 24.088 -3.804 1.00 0.00 C ATOM 614 CG GLU A 39 8.105 24.972 -3.323 1.00 0.00 C ATOM 615 CD GLU A 39 8.192 26.421 -3.828 1.00 0.00 C ATOM 616 OE1 GLU A 39 9.068 27.186 -3.354 1.00 0.00 O ATOM 617 OE2 GLU A 39 7.375 26.818 -4.696 1.00 0.00 O1- ATOM 0 H GLU A 39 11.335 22.684 -4.106 1.00 0.00 H new ATOM 0 HA GLU A 39 10.848 25.516 -3.649 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.273 24.090 -4.894 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.074 23.063 -3.488 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.164 24.535 -3.656 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.087 24.975 -2.233 1.00 0.00 H new ATOM 624 N GLU A 40 10.475 25.682 -1.164 1.00 0.00 N ATOM 625 CA GLU A 40 10.621 25.966 0.266 1.00 0.00 C ATOM 626 C GLU A 40 9.378 26.687 0.819 1.00 0.00 C ATOM 627 O GLU A 40 8.842 27.602 0.186 1.00 0.00 O ATOM 628 CB GLU A 40 11.933 26.740 0.470 1.00 0.00 C ATOM 629 CG GLU A 40 12.166 27.279 1.891 1.00 0.00 C ATOM 630 CD GLU A 40 11.632 28.715 2.110 1.00 0.00 C ATOM 631 OE1 GLU A 40 11.938 29.624 1.298 1.00 0.00 O ATOM 632 OE2 GLU A 40 10.945 28.960 3.132 1.00 0.00 O1- ATOM 0 H GLU A 40 10.106 26.480 -1.681 1.00 0.00 H new ATOM 0 HA GLU A 40 10.684 25.042 0.841 1.00 0.00 H new ATOM 0 HB2 GLU A 40 12.765 26.087 0.206 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.953 27.578 -0.226 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.687 26.610 2.606 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.235 27.262 2.105 1.00 0.00 H new ATOM 639 N HIS A 41 8.929 26.274 2.008 1.00 0.00 N ATOM 640 CA HIS A 41 7.671 26.690 2.640 1.00 0.00 C ATOM 641 C HIS A 41 7.898 27.184 4.074 1.00 0.00 C ATOM 642 O HIS A 41 8.796 26.696 4.774 1.00 0.00 O ATOM 643 CB HIS A 41 6.675 25.515 2.656 1.00 0.00 C ATOM 644 CG HIS A 41 6.489 24.790 1.346 1.00 0.00 C ATOM 645 ND1 HIS A 41 5.644 25.179 0.304 1.00 0.00 N ATOM 646 CD2 HIS A 41 7.122 23.634 0.991 1.00 0.00 C ATOM 647 CE1 HIS A 41 5.783 24.241 -0.648 1.00 0.00 C ATOM 648 NE2 HIS A 41 6.664 23.300 -0.263 1.00 0.00 N ATOM 0 H HIS A 41 9.453 25.613 2.581 1.00 0.00 H new ATOM 0 HA HIS A 41 7.263 27.514 2.054 1.00 0.00 H new ATOM 0 HB2 HIS A 41 7.005 24.794 3.404 1.00 0.00 H new ATOM 0 HB3 HIS A 41 5.705 25.891 2.982 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.843 23.087 1.580 1.00 0.00 H new ATOM 0 HE1 HIS A 41 5.259 24.242 -1.593 1.00 0.00 H new ATOM 0 HE2 HIS A 41 6.943 22.483 -0.805 1.00 0.00 H new ATOM 656 N ALA A 42 7.026 28.085 4.542 1.00 0.00 N ATOM 657 CA ALA A 42 6.965 28.559 5.927 1.00 0.00 C ATOM 658 C ALA A 42 5.538 28.495 6.488 1.00 0.00 C ATOM 659 O ALA A 42 4.571 28.844 5.797 1.00 0.00 O ATOM 660 CB ALA A 42 7.527 29.984 6.002 1.00 0.00 C ATOM 0 H ALA A 42 6.320 28.518 3.946 1.00 0.00 H new ATOM 0 HA ALA A 42 7.574 27.901 6.547 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.483 30.339 7.032 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.563 29.985 5.662 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.936 30.642 5.366 1.00 0.00 H new ATOM 666 N PHE A 43 5.413 28.084 7.753 1.00 0.00 N ATOM 667 CA PHE A 43 4.150 27.886 8.466 1.00 0.00 C ATOM 668 C PHE A 43 4.213 28.532 9.866 1.00 0.00 C ATOM 669 O PHE A 43 4.694 27.899 10.819 1.00 0.00 O ATOM 670 CB PHE A 43 3.827 26.381 8.507 1.00 0.00 C ATOM 671 CG PHE A 43 3.745 25.725 7.136 1.00 0.00 C ATOM 672 CD1 PHE A 43 4.771 24.859 6.703 1.00 0.00 C ATOM 673 CD2 PHE A 43 2.660 26.006 6.281 1.00 0.00 C ATOM 674 CE1 PHE A 43 4.700 24.282 5.423 1.00 0.00 C ATOM 675 CE2 PHE A 43 2.602 25.432 4.999 1.00 0.00 C ATOM 676 CZ PHE A 43 3.622 24.566 4.572 1.00 0.00 C ATOM 0 H PHE A 43 6.225 27.871 8.332 1.00 0.00 H new ATOM 0 HA PHE A 43 3.335 28.384 7.941 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.590 25.873 9.096 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.878 26.238 9.024 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.607 24.640 7.351 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.871 26.665 6.612 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.482 23.615 5.092 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.774 25.657 4.343 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.576 24.119 3.590 1.00 0.00 H new ATOM 686 N PRO A 44 3.796 29.807 10.014 1.00 0.00 N ATOM 687 CA PRO A 44 3.877 30.545 11.283 1.00 0.00 C ATOM 688 C PRO A 44 2.957 29.969 12.376 1.00 0.00 C ATOM 689 O PRO A 44 1.882 29.433 12.106 1.00 0.00 O ATOM 690 CB PRO A 44 3.554 32.004 10.946 1.00 0.00 C ATOM 691 CG PRO A 44 2.686 31.893 9.694 1.00 0.00 C ATOM 692 CD PRO A 44 3.256 30.671 8.973 1.00 0.00 C ATOM 0 HA PRO A 44 4.874 30.457 11.714 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.023 32.497 11.761 1.00 0.00 H new ATOM 0 HB3 PRO A 44 4.458 32.583 10.758 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.634 31.757 9.945 1.00 0.00 H new ATOM 0 HG3 PRO A 44 2.753 32.790 9.078 1.00 0.00 H new ATOM 0 HD2 PRO A 44 2.482 30.158 8.403 1.00 0.00 H new ATOM 0 HD3 PRO A 44 4.033 30.962 8.266 1.00 0.00 H new ATOM 700 N GLY A 45 3.397 30.089 13.627 1.00 0.00 N ATOM 701 CA GLY A 45 2.719 29.590 14.833 1.00 0.00 C ATOM 702 C GLY A 45 2.883 28.087 15.107 1.00 0.00 C ATOM 703 O GLY A 45 2.358 27.596 16.111 1.00 0.00 O ATOM 0 H GLY A 45 4.277 30.558 13.843 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.094 30.142 15.695 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.655 29.813 14.750 1.00 0.00 H new ATOM 707 N LEU A 46 3.589 27.336 14.251 1.00 0.00 N ATOM 708 CA LEU A 46 3.836 25.898 14.424 1.00 0.00 C ATOM 709 C LEU A 46 5.199 25.573 15.067 1.00 0.00 C ATOM 710 O LEU A 46 6.133 26.385 15.052 1.00 0.00 O ATOM 711 CB LEU A 46 3.692 25.161 13.074 1.00 0.00 C ATOM 712 CG LEU A 46 2.345 25.333 12.342 1.00 0.00 C ATOM 713 CD1 LEU A 46 2.294 24.370 11.158 1.00 0.00 C ATOM 714 CD2 LEU A 46 1.131 25.024 13.222 1.00 0.00 C ATOM 0 H LEU A 46 4.012 27.717 13.405 1.00 0.00 H new ATOM 0 HA LEU A 46 3.078 25.544 15.123 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.487 25.502 12.411 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.855 24.097 13.246 1.00 0.00 H new ATOM 0 HG LEU A 46 2.293 26.379 12.039 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.344 24.486 10.635 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.114 24.590 10.474 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.387 23.345 11.518 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.218 25.165 12.644 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.186 23.992 13.568 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.124 25.695 14.081 1.00 0.00 H new ATOM 726 N ALA A 47 5.309 24.340 15.566 1.00 0.00 N ATOM 727 CA ALA A 47 6.532 23.628 15.942 1.00 0.00 C ATOM 728 C ALA A 47 6.443 22.142 15.522 1.00 0.00 C ATOM 729 O ALA A 47 5.344 21.625 15.293 1.00 0.00 O ATOM 730 CB ALA A 47 6.767 23.785 17.448 1.00 0.00 C ATOM 0 H ALA A 47 4.480 23.769 15.730 1.00 0.00 H new ATOM 0 HA ALA A 47 7.385 24.057 15.417 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.677 23.256 17.731 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.871 24.842 17.692 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.920 23.369 17.994 1.00 0.00 H new ATOM 736 N ILE A 48 7.581 21.438 15.416 1.00 0.00 N ATOM 737 CA ILE A 48 7.607 19.996 15.113 1.00 0.00 C ATOM 738 C ILE A 48 7.119 19.214 16.348 1.00 0.00 C ATOM 739 O ILE A 48 7.729 19.297 17.415 1.00 0.00 O ATOM 740 CB ILE A 48 9.006 19.527 14.652 1.00 0.00 C ATOM 741 CG1 ILE A 48 9.525 20.293 13.410 1.00 0.00 C ATOM 742 CG2 ILE A 48 8.973 18.015 14.345 1.00 0.00 C ATOM 743 CD1 ILE A 48 11.056 20.250 13.286 1.00 0.00 C ATOM 0 H ILE A 48 8.506 21.849 15.537 1.00 0.00 H new ATOM 0 HA ILE A 48 6.935 19.799 14.278 1.00 0.00 H new ATOM 0 HB ILE A 48 9.694 19.739 15.470 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.079 19.866 12.512 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.198 21.331 13.465 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.961 17.688 14.020 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.687 17.468 15.243 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.248 17.820 13.555 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.365 20.802 12.399 1.00 0.00 H new ATOM 0 HD12 ILE A 48 11.505 20.703 14.170 1.00 0.00 H new ATOM 0 HD13 ILE A 48 11.385 19.214 13.202 1.00 0.00 H new ATOM 755 N GLY A 49 6.012 18.477 16.219 1.00 0.00 N ATOM 756 CA GLY A 49 5.381 17.753 17.324 1.00 0.00 C ATOM 757 C GLY A 49 5.835 16.297 17.449 1.00 0.00 C ATOM 758 O GLY A 49 6.074 15.822 18.561 1.00 0.00 O ATOM 0 H GLY A 49 5.523 18.366 15.331 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.598 18.273 18.257 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.299 17.776 17.190 1.00 0.00 H new ATOM 762 N ARG A 50 5.955 15.582 16.321 1.00 0.00 N ATOM 763 CA ARG A 50 6.264 14.137 16.271 1.00 0.00 C ATOM 764 C ARG A 50 6.890 13.727 14.937 1.00 0.00 C ATOM 765 O ARG A 50 6.545 14.277 13.892 1.00 0.00 O ATOM 766 CB ARG A 50 4.966 13.361 16.586 1.00 0.00 C ATOM 767 CG ARG A 50 5.079 11.837 16.468 1.00 0.00 C ATOM 768 CD ARG A 50 3.817 11.154 17.006 1.00 0.00 C ATOM 769 NE ARG A 50 3.866 9.710 16.737 1.00 0.00 N ATOM 770 CZ ARG A 50 3.149 8.741 17.267 1.00 0.00 C ATOM 771 NH1 ARG A 50 2.256 8.938 18.194 1.00 0.00 N1+ ATOM 772 NH2 ARG A 50 3.344 7.537 16.835 1.00 0.00 N ATOM 0 H ARG A 50 5.838 15.996 15.396 1.00 0.00 H new ATOM 0 HA ARG A 50 7.018 13.893 17.019 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.648 13.610 17.599 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.182 13.706 15.912 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.232 11.559 15.425 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.951 11.489 17.022 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.730 11.329 18.078 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.933 11.588 16.539 1.00 0.00 H new ATOM 0 HE ARG A 50 4.552 9.417 16.042 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.084 9.880 18.544 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.728 8.150 18.570 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.036 7.363 16.106 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.806 6.762 17.223 1.00 0.00 H new ATOM 786 N VAL A 51 7.771 12.729 14.976 1.00 0.00 N ATOM 787 CA VAL A 51 8.418 12.100 13.811 1.00 0.00 C ATOM 788 C VAL A 51 8.308 10.576 13.935 1.00 0.00 C ATOM 789 O VAL A 51 8.880 9.971 14.844 1.00 0.00 O ATOM 790 CB VAL A 51 9.890 12.541 13.672 1.00 0.00 C ATOM 791 CG1 VAL A 51 10.505 11.977 12.382 1.00 0.00 C ATOM 792 CG2 VAL A 51 10.064 14.072 13.655 1.00 0.00 C ATOM 0 H VAL A 51 8.071 12.313 15.858 1.00 0.00 H new ATOM 0 HA VAL A 51 7.905 12.426 12.906 1.00 0.00 H new ATOM 0 HB VAL A 51 10.400 12.147 14.551 1.00 0.00 H new ATOM 0 HG11 VAL A 51 11.543 12.299 12.303 1.00 0.00 H new ATOM 0 HG12 VAL A 51 10.464 10.888 12.405 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.945 12.343 11.522 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.121 14.317 13.555 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.513 14.491 12.813 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.680 14.492 14.585 1.00 0.00 H new ATOM 802 N ASP A 52 7.569 9.954 13.016 1.00 0.00 N ATOM 803 CA ASP A 52 7.437 8.499 12.884 1.00 0.00 C ATOM 804 C ASP A 52 8.377 7.972 11.797 1.00 0.00 C ATOM 805 O ASP A 52 8.115 8.150 10.603 1.00 0.00 O ATOM 806 CB ASP A 52 5.978 8.136 12.561 1.00 0.00 C ATOM 807 CG ASP A 52 4.995 8.460 13.689 1.00 0.00 C ATOM 808 OD1 ASP A 52 3.886 8.974 13.407 1.00 0.00 O ATOM 809 OD2 ASP A 52 5.301 8.174 14.871 1.00 0.00 O1- ATOM 0 H ASP A 52 7.027 10.464 12.319 1.00 0.00 H new ATOM 0 HA ASP A 52 7.715 8.031 13.828 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.672 8.669 11.661 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.920 7.071 12.336 1.00 0.00 H new ATOM 814 N LEU A 53 9.454 7.282 12.186 1.00 0.00 N ATOM 815 CA LEU A 53 10.355 6.606 11.245 1.00 0.00 C ATOM 816 C LEU A 53 9.740 5.296 10.715 1.00 0.00 C ATOM 817 O LEU A 53 10.121 4.828 9.643 1.00 0.00 O ATOM 818 CB LEU A 53 11.740 6.351 11.886 1.00 0.00 C ATOM 819 CG LEU A 53 12.581 7.566 12.331 1.00 0.00 C ATOM 820 CD1 LEU A 53 12.670 8.644 11.247 1.00 0.00 C ATOM 821 CD2 LEU A 53 12.103 8.212 13.634 1.00 0.00 C ATOM 0 H LEU A 53 9.726 7.176 13.163 1.00 0.00 H new ATOM 0 HA LEU A 53 10.496 7.270 10.392 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.589 5.715 12.758 1.00 0.00 H new ATOM 0 HB3 LEU A 53 12.335 5.779 11.173 1.00 0.00 H new ATOM 0 HG LEU A 53 13.571 7.147 12.511 1.00 0.00 H new ATOM 0 HD11 LEU A 53 13.272 9.477 11.610 1.00 0.00 H new ATOM 0 HD12 LEU A 53 13.133 8.224 10.354 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.669 8.999 11.004 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.746 9.058 13.878 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.077 8.559 13.513 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.146 7.480 14.440 1.00 0.00 H new ATOM 833 N ARG A 54 8.755 4.730 11.433 1.00 0.00 N ATOM 834 CA ARG A 54 7.978 3.538 11.021 1.00 0.00 C ATOM 835 C ARG A 54 7.086 3.771 9.795 1.00 0.00 C ATOM 836 O ARG A 54 6.739 2.804 9.111 1.00 0.00 O ATOM 837 CB ARG A 54 7.123 3.036 12.204 1.00 0.00 C ATOM 838 CG ARG A 54 7.993 2.458 13.331 1.00 0.00 C ATOM 839 CD ARG A 54 7.182 1.688 14.384 1.00 0.00 C ATOM 840 NE ARG A 54 6.373 2.565 15.255 1.00 0.00 N ATOM 841 CZ ARG A 54 5.361 2.175 16.009 1.00 0.00 C ATOM 842 NH1 ARG A 54 4.915 0.949 16.001 1.00 0.00 N1+ ATOM 843 NH2 ARG A 54 4.764 3.005 16.812 1.00 0.00 N ATOM 0 H ARG A 54 8.466 5.095 12.341 1.00 0.00 H new ATOM 0 HA ARG A 54 8.708 2.784 10.728 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.523 3.858 12.593 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.429 2.273 11.853 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.741 1.793 12.900 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.532 3.270 13.819 1.00 0.00 H new ATOM 0 HD2 ARG A 54 6.523 0.981 13.880 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.864 1.103 15.002 1.00 0.00 H new ATOM 0 HE ARG A 54 6.616 3.555 15.276 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.351 0.252 15.397 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.131 0.688 16.599 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.076 3.975 16.867 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.984 2.687 17.387 1.00 0.00 H new ATOM 857 N SER A 55 6.718 5.026 9.507 1.00 0.00 N ATOM 858 CA SER A 55 5.816 5.409 8.401 1.00 0.00 C ATOM 859 C SER A 55 6.308 6.588 7.547 1.00 0.00 C ATOM 860 O SER A 55 5.744 6.848 6.481 1.00 0.00 O ATOM 861 CB SER A 55 4.419 5.698 8.966 1.00 0.00 C ATOM 862 OG SER A 55 4.459 6.810 9.840 1.00 0.00 O ATOM 0 H SER A 55 7.045 5.827 10.047 1.00 0.00 H new ATOM 0 HA SER A 55 5.791 4.560 7.717 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.723 5.894 8.150 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.047 4.823 9.498 1.00 0.00 H new ATOM 0 HG SER A 55 3.560 6.983 10.191 1.00 0.00 H new ATOM 868 N GLY A 56 7.370 7.284 7.964 1.00 0.00 N ATOM 869 CA GLY A 56 7.939 8.433 7.247 1.00 0.00 C ATOM 870 C GLY A 56 7.081 9.701 7.349 1.00 0.00 C ATOM 871 O GLY A 56 6.887 10.393 6.347 1.00 0.00 O ATOM 0 H GLY A 56 7.869 7.062 8.825 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.933 8.643 7.643 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.063 8.171 6.196 1.00 0.00 H new ATOM 875 N VAL A 57 6.536 10.006 8.533 1.00 0.00 N ATOM 876 CA VAL A 57 5.634 11.153 8.756 1.00 0.00 C ATOM 877 C VAL A 57 6.178 12.103 9.827 1.00 0.00 C ATOM 878 O VAL A 57 6.461 11.692 10.954 1.00 0.00 O ATOM 879 CB VAL A 57 4.204 10.689 9.094 1.00 0.00 C ATOM 880 CG1 VAL A 57 3.267 11.877 9.376 1.00 0.00 C ATOM 881 CG2 VAL A 57 3.587 9.892 7.935 1.00 0.00 C ATOM 0 H VAL A 57 6.708 9.459 9.376 1.00 0.00 H new ATOM 0 HA VAL A 57 5.587 11.711 7.821 1.00 0.00 H new ATOM 0 HB VAL A 57 4.297 10.066 9.983 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.269 11.506 9.610 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.649 12.449 10.222 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.218 12.519 8.496 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.578 9.579 8.205 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.546 10.518 7.044 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.198 9.012 7.733 1.00 0.00 H new ATOM 891 N ILE A 58 6.276 13.385 9.465 1.00 0.00 N ATOM 892 CA ILE A 58 6.597 14.514 10.343 1.00 0.00 C ATOM 893 C ILE A 58 5.298 15.288 10.624 1.00 0.00 C ATOM 894 O ILE A 58 4.743 15.934 9.730 1.00 0.00 O ATOM 895 CB ILE A 58 7.697 15.388 9.687 1.00 0.00 C ATOM 896 CG1 ILE A 58 9.011 14.583 9.521 1.00 0.00 C ATOM 897 CG2 ILE A 58 7.940 16.684 10.488 1.00 0.00 C ATOM 898 CD1 ILE A 58 10.095 15.308 8.707 1.00 0.00 C ATOM 0 H ILE A 58 6.126 13.679 8.500 1.00 0.00 H new ATOM 0 HA ILE A 58 7.000 14.176 11.298 1.00 0.00 H new ATOM 0 HB ILE A 58 7.346 15.676 8.696 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.409 14.350 10.509 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.783 13.633 9.037 1.00 0.00 H new ATOM 0 HG21 ILE A 58 8.717 17.273 10.000 1.00 0.00 H new ATOM 0 HG22 ILE A 58 7.018 17.264 10.530 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.257 16.432 11.500 1.00 0.00 H new ATOM 0 HD11 ILE A 58 10.981 14.677 8.638 1.00 0.00 H new ATOM 0 HD12 ILE A 58 9.719 15.517 7.705 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.354 16.245 9.200 1.00 0.00 H new ATOM 910 N SER A 59 4.795 15.219 11.855 1.00 0.00 N ATOM 911 CA SER A 59 3.565 15.895 12.291 1.00 0.00 C ATOM 912 C SER A 59 3.889 17.206 13.012 1.00 0.00 C ATOM 913 O SER A 59 4.671 17.218 13.973 1.00 0.00 O ATOM 914 CB SER A 59 2.744 14.957 13.180 1.00 0.00 C ATOM 915 OG SER A 59 1.508 15.551 13.538 1.00 0.00 O ATOM 0 H SER A 59 5.239 14.680 12.598 1.00 0.00 H new ATOM 0 HA SER A 59 2.969 16.146 11.413 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.563 14.019 12.655 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.310 14.715 14.080 1.00 0.00 H new ATOM 0 HG SER A 59 1.000 14.933 14.104 1.00 0.00 H new ATOM 921 N LEU A 60 3.303 18.315 12.553 1.00 0.00 N ATOM 922 CA LEU A 60 3.443 19.637 13.174 1.00 0.00 C ATOM 923 C LEU A 60 2.258 19.956 14.110 1.00 0.00 C ATOM 924 O LEU A 60 1.132 19.512 13.877 1.00 0.00 O ATOM 925 CB LEU A 60 3.595 20.724 12.094 1.00 0.00 C ATOM 926 CG LEU A 60 4.642 20.457 10.997 1.00 0.00 C ATOM 927 CD1 LEU A 60 4.762 21.693 10.111 1.00 0.00 C ATOM 928 CD2 LEU A 60 6.032 20.123 11.551 1.00 0.00 C ATOM 0 H LEU A 60 2.707 18.321 11.725 1.00 0.00 H new ATOM 0 HA LEU A 60 4.345 19.623 13.785 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.627 20.867 11.615 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.848 21.663 12.587 1.00 0.00 H new ATOM 0 HG LEU A 60 4.296 19.588 10.438 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.502 21.511 9.331 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.797 21.907 9.652 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.073 22.545 10.715 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.720 19.946 10.724 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.394 20.957 12.153 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.971 19.228 12.170 1.00 0.00 H new ATOM 940 N ILE A 61 2.512 20.768 15.136 1.00 0.00 N ATOM 941 CA ILE A 61 1.542 21.222 16.146 1.00 0.00 C ATOM 942 C ILE A 61 1.664 22.731 16.373 1.00 0.00 C ATOM 943 O ILE A 61 2.724 23.311 16.147 1.00 0.00 O ATOM 944 CB ILE A 61 1.684 20.421 17.466 1.00 0.00 C ATOM 945 CG1 ILE A 61 3.073 20.490 18.148 1.00 0.00 C ATOM 946 CG2 ILE A 61 1.311 18.950 17.216 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.271 21.681 19.098 1.00 0.00 C ATOM 0 H ILE A 61 3.444 21.149 15.298 1.00 0.00 H new ATOM 0 HA ILE A 61 0.539 21.028 15.767 1.00 0.00 H new ATOM 0 HB ILE A 61 0.999 20.902 18.164 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.233 19.568 18.707 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.840 20.530 17.374 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.411 18.387 18.144 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.281 18.891 16.864 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.977 18.529 16.462 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.273 21.642 19.526 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.148 22.612 18.545 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.532 21.635 19.898 1.00 0.00 H new ATOM 959 N GLU A 62 0.595 23.381 16.830 1.00 0.00 N ATOM 960 CA GLU A 62 0.613 24.793 17.229 1.00 0.00 C ATOM 961 C GLU A 62 1.465 24.976 18.493 1.00 0.00 C ATOM 962 O GLU A 62 1.228 24.338 19.522 1.00 0.00 O ATOM 963 CB GLU A 62 -0.808 25.346 17.434 1.00 0.00 C ATOM 964 CG GLU A 62 -1.744 25.179 16.219 1.00 0.00 C ATOM 965 CD GLU A 62 -2.627 23.912 16.264 1.00 0.00 C ATOM 966 OE1 GLU A 62 -2.175 22.844 16.750 1.00 0.00 O ATOM 967 OE2 GLU A 62 -3.793 23.976 15.795 1.00 0.00 O1- ATOM 0 H GLU A 62 -0.319 22.940 16.936 1.00 0.00 H new ATOM 0 HA GLU A 62 1.064 25.366 16.418 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.257 24.848 18.293 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.739 26.406 17.680 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.389 26.055 16.150 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.141 25.155 15.311 1.00 0.00 H new ATOM 974 N GLU A 63 2.468 25.853 18.422 1.00 0.00 N ATOM 975 CA GLU A 63 3.511 25.975 19.445 1.00 0.00 C ATOM 976 C GLU A 63 3.034 26.645 20.750 1.00 0.00 C ATOM 977 O GLU A 63 3.662 26.476 21.795 1.00 0.00 O ATOM 978 CB GLU A 63 4.733 26.667 18.817 1.00 0.00 C ATOM 979 CG GLU A 63 4.578 28.179 18.579 1.00 0.00 C ATOM 980 CD GLU A 63 5.236 28.972 19.723 1.00 0.00 C ATOM 981 OE1 GLU A 63 6.485 29.088 19.758 1.00 0.00 O ATOM 982 OE2 GLU A 63 4.524 29.453 20.635 1.00 0.00 O1- ATOM 0 H GLU A 63 2.581 26.505 17.646 1.00 0.00 H new ATOM 0 HA GLU A 63 3.794 24.974 19.770 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.595 26.504 19.463 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.953 26.186 17.864 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.035 28.453 17.628 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.521 28.436 18.510 1.00 0.00 H new ATOM 1115 N MET B 3 16.794 3.043 9.522 1.00 0.00 N ATOM 1116 CA MET B 3 16.303 4.094 10.427 1.00 0.00 C ATOM 1117 C MET B 3 17.225 5.325 10.514 1.00 0.00 C ATOM 1118 O MET B 3 18.421 5.266 10.211 1.00 0.00 O ATOM 1119 CB MET B 3 16.088 3.526 11.842 1.00 0.00 C ATOM 1120 CG MET B 3 14.905 2.555 11.940 1.00 0.00 C ATOM 1121 SD MET B 3 15.167 0.878 11.283 1.00 0.00 S ATOM 1122 CE MET B 3 16.381 0.282 12.490 1.00 0.00 C ATOM 0 HA MET B 3 15.360 4.432 9.998 1.00 0.00 H new ATOM 0 HB2 MET B 3 16.996 3.013 12.160 1.00 0.00 H new ATOM 0 HB3 MET B 3 15.928 4.352 12.536 1.00 0.00 H new ATOM 0 HG2 MET B 3 14.621 2.469 12.989 1.00 0.00 H new ATOM 0 HG3 MET B 3 14.058 2.997 11.416 1.00 0.00 H new ATOM 0 HE1 MET B 3 16.491 -0.798 12.392 1.00 0.00 H new ATOM 0 HE2 MET B 3 17.342 0.763 12.307 1.00 0.00 H new ATOM 0 HE3 MET B 3 16.041 0.522 13.497 1.00 0.00 H new ATOM 1132 N ALA B 4 16.654 6.439 10.975 1.00 0.00 N ATOM 1133 CA ALA B 4 17.367 7.655 11.359 1.00 0.00 C ATOM 1134 C ALA B 4 18.147 7.495 12.690 1.00 0.00 C ATOM 1135 O ALA B 4 18.221 6.407 13.277 1.00 0.00 O ATOM 1136 CB ALA B 4 16.322 8.782 11.432 1.00 0.00 C ATOM 0 H ALA B 4 15.644 6.520 11.095 1.00 0.00 H new ATOM 0 HA ALA B 4 18.132 7.889 10.619 1.00 0.00 H new ATOM 0 HB1 ALA B 4 16.811 9.714 11.717 1.00 0.00 H new ATOM 0 HB2 ALA B 4 15.849 8.903 10.457 1.00 0.00 H new ATOM 0 HB3 ALA B 4 15.565 8.528 12.174 1.00 0.00 H new ATOM 1142 N LYS B 5 18.670 8.614 13.204 1.00 0.00 N ATOM 1143 CA LYS B 5 19.244 8.773 14.553 1.00 0.00 C ATOM 1144 C LYS B 5 18.879 10.132 15.170 1.00 0.00 C ATOM 1145 O LYS B 5 18.650 11.096 14.441 1.00 0.00 O ATOM 1146 CB LYS B 5 20.768 8.541 14.518 1.00 0.00 C ATOM 1147 CG LYS B 5 21.519 9.441 13.512 1.00 0.00 C ATOM 1148 CD LYS B 5 23.041 9.302 13.610 1.00 0.00 C ATOM 1149 CE LYS B 5 23.588 10.008 14.861 1.00 0.00 C ATOM 1150 NZ LYS B 5 25.032 9.740 15.048 1.00 0.00 N1+ ATOM 0 H LYS B 5 18.708 9.480 12.666 1.00 0.00 H new ATOM 0 HA LYS B 5 18.806 8.015 15.202 1.00 0.00 H new ATOM 0 HB2 LYS B 5 21.174 8.711 15.515 1.00 0.00 H new ATOM 0 HB3 LYS B 5 20.960 7.497 14.270 1.00 0.00 H new ATOM 0 HG2 LYS B 5 21.201 9.191 12.500 1.00 0.00 H new ATOM 0 HG3 LYS B 5 21.242 10.481 13.685 1.00 0.00 H new ATOM 0 HD2 LYS B 5 23.311 8.246 13.639 1.00 0.00 H new ATOM 0 HD3 LYS B 5 23.505 9.725 12.719 1.00 0.00 H new ATOM 0 HE2 LYS B 5 23.425 11.082 14.774 1.00 0.00 H new ATOM 0 HE3 LYS B 5 23.038 9.672 15.740 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 25.335 10.101 15.975 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 25.204 8.715 15.002 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 25.573 10.215 14.298 1.00 0.00 H new ATOM 1164 N VAL B 6 18.826 10.219 16.501 1.00 0.00 N ATOM 1165 CA VAL B 6 18.558 11.461 17.258 1.00 0.00 C ATOM 1166 C VAL B 6 19.846 12.008 17.889 1.00 0.00 C ATOM 1167 O VAL B 6 20.711 11.232 18.304 1.00 0.00 O ATOM 1168 CB VAL B 6 17.470 11.257 18.334 1.00 0.00 C ATOM 1169 CG1 VAL B 6 16.993 12.580 18.952 1.00 0.00 C ATOM 1170 CG2 VAL B 6 16.249 10.524 17.783 1.00 0.00 C ATOM 0 H VAL B 6 18.971 9.410 17.106 1.00 0.00 H new ATOM 0 HA VAL B 6 18.181 12.196 16.546 1.00 0.00 H new ATOM 0 HB VAL B 6 17.947 10.653 19.106 1.00 0.00 H new ATOM 0 HG11 VAL B 6 16.228 12.377 19.702 1.00 0.00 H new ATOM 0 HG12 VAL B 6 17.836 13.087 19.422 1.00 0.00 H new ATOM 0 HG13 VAL B 6 16.576 13.216 18.172 1.00 0.00 H new ATOM 0 HG21 VAL B 6 15.510 10.403 18.575 1.00 0.00 H new ATOM 0 HG22 VAL B 6 15.815 11.102 16.967 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.549 9.543 17.414 1.00 0.00 H new ATOM 1180 N VAL B 7 19.968 13.338 17.994 1.00 0.00 N ATOM 1181 CA VAL B 7 21.064 14.048 18.682 1.00 0.00 C ATOM 1182 C VAL B 7 20.564 15.251 19.495 1.00 0.00 C ATOM 1183 O VAL B 7 19.629 15.952 19.094 1.00 0.00 O ATOM 1184 CB VAL B 7 22.184 14.435 17.688 1.00 0.00 C ATOM 1185 CG1 VAL B 7 21.722 15.355 16.551 1.00 0.00 C ATOM 1186 CG2 VAL B 7 23.367 15.124 18.376 1.00 0.00 C ATOM 0 H VAL B 7 19.283 13.976 17.589 1.00 0.00 H new ATOM 0 HA VAL B 7 21.494 13.357 19.407 1.00 0.00 H new ATOM 0 HB VAL B 7 22.488 13.476 17.268 1.00 0.00 H new ATOM 0 HG11 VAL B 7 22.566 15.579 15.899 1.00 0.00 H new ATOM 0 HG12 VAL B 7 20.941 14.858 15.976 1.00 0.00 H new ATOM 0 HG13 VAL B 7 21.331 16.282 16.969 1.00 0.00 H new ATOM 0 HG21 VAL B 7 24.124 15.374 17.633 1.00 0.00 H new ATOM 0 HG22 VAL B 7 23.023 16.035 18.865 1.00 0.00 H new ATOM 0 HG23 VAL B 7 23.796 14.453 19.120 1.00 0.00 H new ATOM 1196 N LEU B 8 21.208 15.501 20.637 1.00 0.00 N ATOM 1197 CA LEU B 8 21.065 16.704 21.467 1.00 0.00 C ATOM 1198 C LEU B 8 22.423 17.092 22.089 1.00 0.00 C ATOM 1199 O LEU B 8 23.306 16.244 22.235 1.00 0.00 O ATOM 1200 CB LEU B 8 19.972 16.459 22.530 1.00 0.00 C ATOM 1201 CG LEU B 8 20.361 15.430 23.617 1.00 0.00 C ATOM 1202 CD1 LEU B 8 20.804 16.105 24.919 1.00 0.00 C ATOM 1203 CD2 LEU B 8 19.187 14.501 23.930 1.00 0.00 C ATOM 0 H LEU B 8 21.877 14.839 21.029 1.00 0.00 H new ATOM 0 HA LEU B 8 20.751 17.549 20.855 1.00 0.00 H new ATOM 0 HB2 LEU B 8 19.732 17.406 23.012 1.00 0.00 H new ATOM 0 HB3 LEU B 8 19.066 16.117 22.030 1.00 0.00 H new ATOM 0 HG LEU B 8 21.197 14.859 23.214 1.00 0.00 H new ATOM 0 HD11 LEU B 8 21.067 15.343 25.653 1.00 0.00 H new ATOM 0 HD12 LEU B 8 21.671 16.737 24.725 1.00 0.00 H new ATOM 0 HD13 LEU B 8 19.989 16.716 25.307 1.00 0.00 H new ATOM 0 HD21 LEU B 8 19.484 13.786 24.697 1.00 0.00 H new ATOM 0 HD22 LEU B 8 18.343 15.090 24.290 1.00 0.00 H new ATOM 0 HD23 LEU B 8 18.897 13.965 23.027 1.00 0.00 H new ATOM 1215 N THR B 9 22.578 18.358 22.496 1.00 0.00 N ATOM 1216 CA THR B 9 23.794 18.874 23.156 1.00 0.00 C ATOM 1217 C THR B 9 23.471 19.466 24.532 1.00 0.00 C ATOM 1218 O THR B 9 22.538 20.261 24.678 1.00 0.00 O ATOM 1219 CB THR B 9 24.535 19.897 22.273 1.00 0.00 C ATOM 1220 OG1 THR B 9 24.756 19.364 20.979 1.00 0.00 O ATOM 1221 CG2 THR B 9 25.916 20.252 22.841 1.00 0.00 C ATOM 0 H THR B 9 21.854 19.067 22.376 1.00 0.00 H new ATOM 0 HA THR B 9 24.463 18.027 23.303 1.00 0.00 H new ATOM 0 HB THR B 9 23.904 20.785 22.240 1.00 0.00 H new ATOM 0 HG1 THR B 9 25.226 20.025 20.429 1.00 0.00 H new ATOM 0 HG21 THR B 9 26.403 20.976 22.187 1.00 0.00 H new ATOM 0 HG22 THR B 9 25.801 20.682 23.836 1.00 0.00 H new ATOM 0 HG23 THR B 9 26.526 19.351 22.903 1.00 0.00 H new ATOM 1229 N LYS B 10 24.236 19.059 25.550 1.00 0.00 N ATOM 1230 CA LYS B 10 24.096 19.460 26.963 1.00 0.00 C ATOM 1231 C LYS B 10 24.747 20.819 27.250 1.00 0.00 C ATOM 1232 O LYS B 10 25.638 21.260 26.522 1.00 0.00 O ATOM 1233 CB LYS B 10 24.717 18.369 27.857 1.00 0.00 C ATOM 1234 CG LYS B 10 24.041 16.997 27.693 1.00 0.00 C ATOM 1235 CD LYS B 10 24.618 15.927 28.632 1.00 0.00 C ATOM 1236 CE LYS B 10 26.064 15.551 28.271 1.00 0.00 C ATOM 1237 NZ LYS B 10 26.594 14.494 29.166 1.00 0.00 N1+ ATOM 0 H LYS B 10 25.009 18.409 25.409 1.00 0.00 H new ATOM 0 HA LYS B 10 23.034 19.568 27.182 1.00 0.00 H new ATOM 0 HB2 LYS B 10 25.777 18.275 27.622 1.00 0.00 H new ATOM 0 HB3 LYS B 10 24.648 18.679 28.900 1.00 0.00 H new ATOM 0 HG2 LYS B 10 22.972 17.100 27.882 1.00 0.00 H new ATOM 0 HG3 LYS B 10 24.152 16.665 26.661 1.00 0.00 H new ATOM 0 HD2 LYS B 10 24.586 16.292 29.658 1.00 0.00 H new ATOM 0 HD3 LYS B 10 23.992 15.035 28.591 1.00 0.00 H new ATOM 0 HE2 LYS B 10 26.104 15.207 27.238 1.00 0.00 H new ATOM 0 HE3 LYS B 10 26.698 16.435 28.337 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 27.571 14.266 28.893 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 26.579 14.832 30.149 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 26.004 13.642 29.084 1.00 0.00 H new ATOM 1251 N ALA B 11 24.372 21.444 28.367 1.00 0.00 N ATOM 1252 CA ALA B 11 24.986 22.684 28.862 1.00 0.00 C ATOM 1253 C ALA B 11 26.488 22.533 29.202 1.00 0.00 C ATOM 1254 O ALA B 11 27.241 23.505 29.136 1.00 0.00 O ATOM 1255 CB ALA B 11 24.176 23.139 30.078 1.00 0.00 C ATOM 0 H ALA B 11 23.621 21.100 28.965 1.00 0.00 H new ATOM 0 HA ALA B 11 24.959 23.435 28.072 1.00 0.00 H new ATOM 0 HB1 ALA B 11 24.602 24.060 30.475 1.00 0.00 H new ATOM 0 HB2 ALA B 11 23.142 23.316 29.781 1.00 0.00 H new ATOM 0 HB3 ALA B 11 24.205 22.365 30.845 1.00 0.00 H new ATOM 1261 N ASP B 12 26.945 21.311 29.509 1.00 0.00 N ATOM 1262 CA ASP B 12 28.362 20.949 29.700 1.00 0.00 C ATOM 1263 C ASP B 12 29.179 20.866 28.385 1.00 0.00 C ATOM 1264 O ASP B 12 30.394 20.664 28.417 1.00 0.00 O ATOM 1265 CB ASP B 12 28.449 19.614 30.458 1.00 0.00 C ATOM 1266 CG ASP B 12 27.833 19.630 31.874 1.00 0.00 C ATOM 1267 OD1 ASP B 12 27.499 18.534 32.387 1.00 0.00 O ATOM 1268 OD2 ASP B 12 27.701 20.711 32.500 1.00 0.00 O1- ATOM 0 H ASP B 12 26.318 20.517 29.636 1.00 0.00 H new ATOM 0 HA ASP B 12 28.812 21.756 30.278 1.00 0.00 H new ATOM 0 HB2 ASP B 12 27.950 18.845 29.869 1.00 0.00 H new ATOM 0 HB3 ASP B 12 29.497 19.325 30.537 1.00 0.00 H new ATOM 1273 N GLY B 13 28.523 21.004 27.226 1.00 0.00 N ATOM 1274 CA GLY B 13 29.129 20.962 25.886 1.00 0.00 C ATOM 1275 C GLY B 13 29.296 19.563 25.277 1.00 0.00 C ATOM 1276 O GLY B 13 29.699 19.449 24.119 1.00 0.00 O ATOM 0 H GLY B 13 27.515 21.154 27.193 1.00 0.00 H new ATOM 0 HA2 GLY B 13 28.518 21.562 25.212 1.00 0.00 H new ATOM 0 HA3 GLY B 13 30.109 21.437 25.935 1.00 0.00 H new ATOM 1280 N GLY B 14 28.962 18.500 26.024 1.00 0.00 N ATOM 1281 CA GLY B 14 28.909 17.116 25.533 1.00 0.00 C ATOM 1282 C GLY B 14 27.573 16.792 24.856 1.00 0.00 C ATOM 1283 O GLY B 14 26.543 17.369 25.209 1.00 0.00 O ATOM 0 H GLY B 14 28.715 18.582 27.010 1.00 0.00 H new ATOM 0 HA2 GLY B 14 29.722 16.952 24.826 1.00 0.00 H new ATOM 0 HA3 GLY B 14 29.068 16.431 26.366 1.00 0.00 H new ATOM 1287 N ARG B 15 27.569 15.866 23.890 1.00 0.00 N ATOM 1288 CA ARG B 15 26.344 15.402 23.199 1.00 0.00 C ATOM 1289 C ARG B 15 25.781 14.106 23.792 1.00 0.00 C ATOM 1290 O ARG B 15 26.506 13.338 24.428 1.00 0.00 O ATOM 1291 CB ARG B 15 26.582 15.241 21.687 1.00 0.00 C ATOM 1292 CG ARG B 15 27.097 16.519 21.013 1.00 0.00 C ATOM 1293 CD ARG B 15 26.927 16.464 19.485 1.00 0.00 C ATOM 1294 NE ARG B 15 27.531 15.253 18.891 1.00 0.00 N ATOM 1295 CZ ARG B 15 28.774 15.053 18.506 1.00 0.00 C ATOM 1296 NH1 ARG B 15 29.696 15.971 18.574 1.00 0.00 N1+ ATOM 1297 NH2 ARG B 15 29.097 13.883 18.043 1.00 0.00 N ATOM 0 H ARG B 15 28.419 15.410 23.558 1.00 0.00 H new ATOM 0 HA ARG B 15 25.595 16.178 23.356 1.00 0.00 H new ATOM 0 HB2 ARG B 15 27.300 14.438 21.523 1.00 0.00 H new ATOM 0 HB3 ARG B 15 25.650 14.938 21.210 1.00 0.00 H new ATOM 0 HG2 ARG B 15 26.559 17.381 21.408 1.00 0.00 H new ATOM 0 HG3 ARG B 15 28.150 16.660 21.257 1.00 0.00 H new ATOM 0 HD2 ARG B 15 25.865 16.494 19.240 1.00 0.00 H new ATOM 0 HD3 ARG B 15 27.382 17.349 19.040 1.00 0.00 H new ATOM 0 HE ARG B 15 26.898 14.464 18.762 1.00 0.00 H new ATOM 0 HH11 ARG B 15 29.469 16.896 18.939 1.00 0.00 H new ATOM 0 HH12 ARG B 15 30.645 15.765 18.262 1.00 0.00 H new ATOM 0 HH21 ARG B 15 28.394 13.146 17.985 1.00 0.00 H new ATOM 0 HH22 ARG B 15 30.053 13.701 17.738 1.00 0.00 H new ATOM 1311 N VAL B 16 24.500 13.853 23.519 1.00 0.00 N ATOM 1312 CA VAL B 16 23.818 12.558 23.702 1.00 0.00 C ATOM 1313 C VAL B 16 23.137 12.178 22.382 1.00 0.00 C ATOM 1314 O VAL B 16 22.527 13.020 21.718 1.00 0.00 O ATOM 1315 CB VAL B 16 22.824 12.581 24.883 1.00 0.00 C ATOM 1316 CG1 VAL B 16 22.116 11.235 25.074 1.00 0.00 C ATOM 1317 CG2 VAL B 16 23.520 12.944 26.203 1.00 0.00 C ATOM 0 H VAL B 16 23.878 14.571 23.148 1.00 0.00 H new ATOM 0 HA VAL B 16 24.555 11.798 23.961 1.00 0.00 H new ATOM 0 HB VAL B 16 22.087 13.343 24.629 1.00 0.00 H new ATOM 0 HG11 VAL B 16 21.428 11.302 25.916 1.00 0.00 H new ATOM 0 HG12 VAL B 16 21.560 10.985 24.170 1.00 0.00 H new ATOM 0 HG13 VAL B 16 22.856 10.459 25.271 1.00 0.00 H new ATOM 0 HG21 VAL B 16 22.788 12.950 27.011 1.00 0.00 H new ATOM 0 HG22 VAL B 16 24.294 12.208 26.420 1.00 0.00 H new ATOM 0 HG23 VAL B 16 23.972 13.932 26.116 1.00 0.00 H new ATOM 1327 N GLU B 17 23.271 10.913 21.973 1.00 0.00 N ATOM 1328 CA GLU B 17 22.843 10.410 20.658 1.00 0.00 C ATOM 1329 C GLU B 17 22.153 9.041 20.760 1.00 0.00 C ATOM 1330 O GLU B 17 22.534 8.207 21.588 1.00 0.00 O ATOM 1331 CB GLU B 17 24.037 10.328 19.685 1.00 0.00 C ATOM 1332 CG GLU B 17 24.629 11.708 19.356 1.00 0.00 C ATOM 1333 CD GLU B 17 25.793 11.658 18.353 1.00 0.00 C ATOM 1334 OE1 GLU B 17 26.652 12.573 18.393 1.00 0.00 O ATOM 1335 OE2 GLU B 17 25.850 10.743 17.490 1.00 0.00 O1- ATOM 0 H GLU B 17 23.690 10.191 22.559 1.00 0.00 H new ATOM 0 HA GLU B 17 22.115 11.122 20.269 1.00 0.00 H new ATOM 0 HB2 GLU B 17 24.813 9.699 20.121 1.00 0.00 H new ATOM 0 HB3 GLU B 17 23.716 9.845 18.762 1.00 0.00 H new ATOM 0 HG2 GLU B 17 23.841 12.345 18.953 1.00 0.00 H new ATOM 0 HG3 GLU B 17 24.976 12.174 20.278 1.00 0.00 H new ATOM 1342 N ILE B 18 21.145 8.807 19.910 1.00 0.00 N ATOM 1343 CA ILE B 18 20.306 7.599 19.904 1.00 0.00 C ATOM 1344 C ILE B 18 20.172 7.050 18.470 1.00 0.00 C ATOM 1345 O ILE B 18 19.494 7.654 17.635 1.00 0.00 O ATOM 1346 CB ILE B 18 18.917 7.864 20.547 1.00 0.00 C ATOM 1347 CG1 ILE B 18 18.983 8.510 21.955 1.00 0.00 C ATOM 1348 CG2 ILE B 18 18.138 6.538 20.649 1.00 0.00 C ATOM 1349 CD1 ILE B 18 18.892 10.044 21.933 1.00 0.00 C ATOM 0 H ILE B 18 20.882 9.473 19.184 1.00 0.00 H new ATOM 0 HA ILE B 18 20.796 6.841 20.515 1.00 0.00 H new ATOM 0 HB ILE B 18 18.415 8.579 19.895 1.00 0.00 H new ATOM 0 HG12 ILE B 18 18.171 8.115 22.565 1.00 0.00 H new ATOM 0 HG13 ILE B 18 19.916 8.217 22.437 1.00 0.00 H new ATOM 0 HG21 ILE B 18 17.163 6.723 21.100 1.00 0.00 H new ATOM 0 HG22 ILE B 18 18.003 6.118 19.652 1.00 0.00 H new ATOM 0 HG23 ILE B 18 18.696 5.835 21.267 1.00 0.00 H new ATOM 0 HD11 ILE B 18 18.945 10.426 22.952 1.00 0.00 H new ATOM 0 HD12 ILE B 18 19.719 10.449 21.350 1.00 0.00 H new ATOM 0 HD13 ILE B 18 17.947 10.346 21.481 1.00 0.00 H new ATOM 1361 N GLY B 19 20.815 5.916 18.183 1.00 0.00 N ATOM 1362 CA GLY B 19 20.693 5.197 16.909 1.00 0.00 C ATOM 1363 C GLY B 19 19.484 4.254 16.849 1.00 0.00 C ATOM 1364 O GLY B 19 18.860 3.946 17.868 1.00 0.00 O ATOM 0 H GLY B 19 21.448 5.461 18.841 1.00 0.00 H new ATOM 0 HA2 GLY B 19 20.619 5.922 16.098 1.00 0.00 H new ATOM 0 HA3 GLY B 19 21.602 4.620 16.738 1.00 0.00 H new ATOM 1368 N ASP B 20 19.159 3.769 15.639 1.00 0.00 N ATOM 1369 CA ASP B 20 18.099 2.776 15.377 1.00 0.00 C ATOM 1370 C ASP B 20 16.706 3.182 15.909 1.00 0.00 C ATOM 1371 O ASP B 20 15.925 2.353 16.400 1.00 0.00 O ATOM 1372 CB ASP B 20 18.553 1.364 15.803 1.00 0.00 C ATOM 1373 CG ASP B 20 19.914 0.930 15.225 1.00 0.00 C ATOM 1374 OD1 ASP B 20 20.621 0.136 15.892 1.00 0.00 O ATOM 1375 OD2 ASP B 20 20.282 1.334 14.094 1.00 0.00 O1- ATOM 0 H ASP B 20 19.640 4.065 14.790 1.00 0.00 H new ATOM 0 HA ASP B 20 17.949 2.748 14.298 1.00 0.00 H new ATOM 0 HB2 ASP B 20 18.606 1.326 16.891 1.00 0.00 H new ATOM 0 HB3 ASP B 20 17.795 0.644 15.495 1.00 0.00 H new ATOM 1380 N VAL B 21 16.398 4.482 15.841 1.00 0.00 N ATOM 1381 CA VAL B 21 15.151 5.070 16.354 1.00 0.00 C ATOM 1382 C VAL B 21 13.951 4.768 15.448 1.00 0.00 C ATOM 1383 O VAL B 21 14.017 4.908 14.225 1.00 0.00 O ATOM 1384 CB VAL B 21 15.332 6.580 16.631 1.00 0.00 C ATOM 1385 CG1 VAL B 21 15.560 7.429 15.382 1.00 0.00 C ATOM 1386 CG2 VAL B 21 14.136 7.169 17.374 1.00 0.00 C ATOM 0 H VAL B 21 17.021 5.171 15.419 1.00 0.00 H new ATOM 0 HA VAL B 21 14.922 4.593 17.307 1.00 0.00 H new ATOM 0 HB VAL B 21 16.233 6.622 17.243 1.00 0.00 H new ATOM 0 HG11 VAL B 21 15.677 8.474 15.669 1.00 0.00 H new ATOM 0 HG12 VAL B 21 16.461 7.090 14.871 1.00 0.00 H new ATOM 0 HG13 VAL B 21 14.705 7.330 14.713 1.00 0.00 H new ATOM 0 HG21 VAL B 21 14.304 8.232 17.549 1.00 0.00 H new ATOM 0 HG22 VAL B 21 13.235 7.037 16.775 1.00 0.00 H new ATOM 0 HG23 VAL B 21 14.014 6.659 18.330 1.00 0.00 H new ATOM 1396 N LEU B 22 12.832 4.363 16.052 1.00 0.00 N ATOM 1397 CA LEU B 22 11.553 4.102 15.380 1.00 0.00 C ATOM 1398 C LEU B 22 10.591 5.297 15.464 1.00 0.00 C ATOM 1399 O LEU B 22 9.759 5.489 14.574 1.00 0.00 O ATOM 1400 CB LEU B 22 10.906 2.858 16.022 1.00 0.00 C ATOM 1401 CG LEU B 22 11.660 1.526 15.812 1.00 0.00 C ATOM 1402 CD1 LEU B 22 10.859 0.410 16.484 1.00 0.00 C ATOM 1403 CD2 LEU B 22 11.823 1.156 14.341 1.00 0.00 C ATOM 0 H LEU B 22 12.788 4.201 17.058 1.00 0.00 H new ATOM 0 HA LEU B 22 11.752 3.932 14.322 1.00 0.00 H new ATOM 0 HB2 LEU B 22 10.809 3.034 17.093 1.00 0.00 H new ATOM 0 HB3 LEU B 22 9.897 2.750 15.624 1.00 0.00 H new ATOM 0 HG LEU B 22 12.655 1.647 16.240 1.00 0.00 H new ATOM 0 HD11 LEU B 22 11.374 -0.541 16.348 1.00 0.00 H new ATOM 0 HD12 LEU B 22 10.763 0.621 17.549 1.00 0.00 H new ATOM 0 HD13 LEU B 22 9.867 0.353 16.035 1.00 0.00 H new ATOM 0 HD21 LEU B 22 12.360 0.211 14.261 1.00 0.00 H new ATOM 0 HD22 LEU B 22 10.840 1.055 13.880 1.00 0.00 H new ATOM 0 HD23 LEU B 22 12.385 1.937 13.829 1.00 0.00 H new ATOM 1415 N GLU B 23 10.678 6.098 16.531 1.00 0.00 N ATOM 1416 CA GLU B 23 9.683 7.125 16.873 1.00 0.00 C ATOM 1417 C GLU B 23 10.263 8.200 17.810 1.00 0.00 C ATOM 1418 O GLU B 23 10.981 7.861 18.756 1.00 0.00 O ATOM 1419 CB GLU B 23 8.496 6.390 17.517 1.00 0.00 C ATOM 1420 CG GLU B 23 7.299 7.275 17.869 1.00 0.00 C ATOM 1421 CD GLU B 23 6.096 6.394 18.245 1.00 0.00 C ATOM 1422 OE1 GLU B 23 5.670 5.542 17.425 1.00 0.00 O ATOM 1423 OE2 GLU B 23 5.591 6.530 19.384 1.00 0.00 O1- ATOM 0 H GLU B 23 11.453 6.052 17.193 1.00 0.00 H new ATOM 0 HA GLU B 23 9.367 7.663 15.979 1.00 0.00 H new ATOM 0 HB2 GLU B 23 8.161 5.607 16.837 1.00 0.00 H new ATOM 0 HB3 GLU B 23 8.843 5.897 18.425 1.00 0.00 H new ATOM 0 HG2 GLU B 23 7.553 7.934 18.699 1.00 0.00 H new ATOM 0 HG3 GLU B 23 7.045 7.913 17.022 1.00 0.00 H new ATOM 1430 N VAL B 24 9.928 9.477 17.578 1.00 0.00 N ATOM 1431 CA VAL B 24 10.328 10.637 18.406 1.00 0.00 C ATOM 1432 C VAL B 24 9.155 11.611 18.544 1.00 0.00 C ATOM 1433 O VAL B 24 8.460 11.872 17.563 1.00 0.00 O ATOM 1434 CB VAL B 24 11.561 11.378 17.836 1.00 0.00 C ATOM 1435 CG1 VAL B 24 12.152 12.364 18.850 1.00 0.00 C ATOM 1436 CG2 VAL B 24 12.651 10.428 17.344 1.00 0.00 C ATOM 0 H VAL B 24 9.350 9.746 16.782 1.00 0.00 H new ATOM 0 HA VAL B 24 10.608 10.249 19.385 1.00 0.00 H new ATOM 0 HB VAL B 24 11.193 11.935 16.974 1.00 0.00 H new ATOM 0 HG11 VAL B 24 13.016 12.863 18.411 1.00 0.00 H new ATOM 0 HG12 VAL B 24 11.400 13.107 19.116 1.00 0.00 H new ATOM 0 HG13 VAL B 24 12.461 11.824 19.745 1.00 0.00 H new ATOM 0 HG21 VAL B 24 13.490 11.006 16.956 1.00 0.00 H new ATOM 0 HG22 VAL B 24 12.992 9.805 18.171 1.00 0.00 H new ATOM 0 HG23 VAL B 24 12.251 9.793 16.553 1.00 0.00 H new ATOM 1446 N ARG B 25 8.913 12.159 19.740 1.00 0.00 N ATOM 1447 CA ARG B 25 7.727 12.989 20.055 1.00 0.00 C ATOM 1448 C ARG B 25 7.984 13.984 21.186 1.00 0.00 C ATOM 1449 O ARG B 25 8.657 13.656 22.160 1.00 0.00 O ATOM 1450 CB ARG B 25 6.494 12.098 20.351 1.00 0.00 C ATOM 1451 CG ARG B 25 6.818 10.771 21.065 1.00 0.00 C ATOM 1452 CD ARG B 25 5.554 9.955 21.392 1.00 0.00 C ATOM 1453 NE ARG B 25 5.837 8.504 21.384 1.00 0.00 N ATOM 1454 CZ ARG B 25 6.597 7.803 22.198 1.00 0.00 C ATOM 1455 NH1 ARG B 25 7.123 8.306 23.274 1.00 0.00 N1+ ATOM 1456 NH2 ARG B 25 6.845 6.562 21.906 1.00 0.00 N ATOM 0 H ARG B 25 9.541 12.041 20.535 1.00 0.00 H new ATOM 0 HA ARG B 25 7.513 13.586 19.169 1.00 0.00 H new ATOM 0 HB2 ARG B 25 5.792 12.663 20.964 1.00 0.00 H new ATOM 0 HB3 ARG B 25 5.989 11.876 19.411 1.00 0.00 H new ATOM 0 HG2 ARG B 25 7.479 10.175 20.435 1.00 0.00 H new ATOM 0 HG3 ARG B 25 7.360 10.981 21.987 1.00 0.00 H new ATOM 0 HD2 ARG B 25 5.172 10.248 22.370 1.00 0.00 H new ATOM 0 HD3 ARG B 25 4.774 10.180 20.664 1.00 0.00 H new ATOM 0 HE ARG B 25 5.379 7.972 20.644 1.00 0.00 H new ATOM 0 HH11 ARG B 25 6.953 9.282 23.517 1.00 0.00 H new ATOM 0 HH12 ARG B 25 7.706 7.725 23.876 1.00 0.00 H new ATOM 0 HH21 ARG B 25 6.453 6.149 21.060 1.00 0.00 H new ATOM 0 HH22 ARG B 25 7.432 6.000 22.523 1.00 0.00 H new ATOM 1470 N ALA B 26 7.423 15.187 21.059 1.00 0.00 N ATOM 1471 CA ALA B 26 7.483 16.252 22.057 1.00 0.00 C ATOM 1472 C ALA B 26 6.197 16.259 22.903 1.00 0.00 C ATOM 1473 O ALA B 26 5.083 16.274 22.368 1.00 0.00 O ATOM 1474 CB ALA B 26 7.722 17.586 21.333 1.00 0.00 C ATOM 0 H ALA B 26 6.896 15.455 20.228 1.00 0.00 H new ATOM 0 HA ALA B 26 8.308 16.087 22.750 1.00 0.00 H new ATOM 0 HB1 ALA B 26 7.770 18.393 22.064 1.00 0.00 H new ATOM 0 HB2 ALA B 26 8.662 17.538 20.783 1.00 0.00 H new ATOM 0 HB3 ALA B 26 6.904 17.774 20.637 1.00 0.00 H new ATOM 1509 N ALA B 30 8.923 18.202 27.348 1.00 0.00 N ATOM 1510 CA ALA B 30 10.014 17.236 27.185 1.00 0.00 C ATOM 1511 C ALA B 30 9.997 16.604 25.783 1.00 0.00 C ATOM 1512 O ALA B 30 9.007 16.714 25.059 1.00 0.00 O ATOM 1513 CB ALA B 30 9.871 16.167 28.278 1.00 0.00 C ATOM 0 HA ALA B 30 10.974 17.743 27.285 1.00 0.00 H new ATOM 0 HB1 ALA B 30 10.673 15.435 28.178 1.00 0.00 H new ATOM 0 HB2 ALA B 30 9.931 16.639 29.259 1.00 0.00 H new ATOM 0 HB3 ALA B 30 8.908 15.667 28.174 1.00 0.00 H new ATOM 1519 N VAL B 31 11.062 15.887 25.409 1.00 0.00 N ATOM 1520 CA VAL B 31 11.076 14.980 24.241 1.00 0.00 C ATOM 1521 C VAL B 31 11.264 13.528 24.687 1.00 0.00 C ATOM 1522 O VAL B 31 12.065 13.249 25.579 1.00 0.00 O ATOM 1523 CB VAL B 31 12.126 15.398 23.187 1.00 0.00 C ATOM 1524 CG1 VAL B 31 12.226 14.402 22.023 1.00 0.00 C ATOM 1525 CG2 VAL B 31 11.767 16.752 22.575 1.00 0.00 C ATOM 0 H VAL B 31 11.950 15.916 25.909 1.00 0.00 H new ATOM 0 HA VAL B 31 10.105 15.059 23.752 1.00 0.00 H new ATOM 0 HB VAL B 31 13.076 15.435 23.720 1.00 0.00 H new ATOM 0 HG11 VAL B 31 12.978 14.746 21.313 1.00 0.00 H new ATOM 0 HG12 VAL B 31 12.510 13.422 22.406 1.00 0.00 H new ATOM 0 HG13 VAL B 31 11.261 14.330 21.522 1.00 0.00 H new ATOM 0 HG21 VAL B 31 12.519 17.028 21.836 1.00 0.00 H new ATOM 0 HG22 VAL B 31 10.791 16.686 22.093 1.00 0.00 H new ATOM 0 HG23 VAL B 31 11.735 17.509 23.359 1.00 0.00 H new ATOM 1535 N ARG B 32 10.541 12.603 24.045 1.00 0.00 N ATOM 1536 CA ARG B 32 10.651 11.140 24.193 1.00 0.00 C ATOM 1537 C ARG B 32 11.039 10.492 22.860 1.00 0.00 C ATOM 1538 O ARG B 32 10.593 10.948 21.806 1.00 0.00 O ATOM 1539 CB ARG B 32 9.327 10.567 24.709 1.00 0.00 C ATOM 1540 CG ARG B 32 9.007 10.962 26.159 1.00 0.00 C ATOM 1541 CD ARG B 32 7.556 10.630 26.526 1.00 0.00 C ATOM 1542 NE ARG B 32 7.255 9.192 26.425 1.00 0.00 N ATOM 1543 CZ ARG B 32 6.110 8.594 26.700 1.00 0.00 C ATOM 1544 NH1 ARG B 32 5.036 9.240 27.068 1.00 0.00 N1+ ATOM 1545 NH2 ARG B 32 6.039 7.303 26.580 1.00 0.00 N ATOM 0 H ARG B 32 9.823 12.866 23.370 1.00 0.00 H new ATOM 0 HA ARG B 32 11.434 10.917 24.917 1.00 0.00 H new ATOM 0 HB2 ARG B 32 8.518 10.906 24.062 1.00 0.00 H new ATOM 0 HB3 ARG B 32 9.359 9.480 24.636 1.00 0.00 H new ATOM 0 HG2 ARG B 32 9.683 10.440 26.837 1.00 0.00 H new ATOM 0 HG3 ARG B 32 9.182 12.029 26.293 1.00 0.00 H new ATOM 0 HD2 ARG B 32 7.357 10.967 27.543 1.00 0.00 H new ATOM 0 HD3 ARG B 32 6.885 11.184 25.870 1.00 0.00 H new ATOM 0 HE ARG B 32 8.015 8.591 26.107 1.00 0.00 H new ATOM 0 HH11 ARG B 32 5.057 10.256 27.155 1.00 0.00 H new ATOM 0 HH12 ARG B 32 4.177 8.728 27.269 1.00 0.00 H new ATOM 0 HH21 ARG B 32 6.857 6.773 26.279 1.00 0.00 H new ATOM 0 HH22 ARG B 32 5.165 6.819 26.787 1.00 0.00 H new ATOM 1559 N VAL B 33 11.850 9.435 22.903 1.00 0.00 N ATOM 1560 CA VAL B 33 12.382 8.744 21.707 1.00 0.00 C ATOM 1561 C VAL B 33 12.525 7.241 21.953 1.00 0.00 C ATOM 1562 O VAL B 33 13.027 6.833 22.998 1.00 0.00 O ATOM 1563 CB VAL B 33 13.668 9.416 21.138 1.00 0.00 C ATOM 1564 CG1 VAL B 33 14.228 10.592 21.959 1.00 0.00 C ATOM 1565 CG2 VAL B 33 14.840 8.478 20.841 1.00 0.00 C ATOM 0 H VAL B 33 12.167 9.021 23.780 1.00 0.00 H new ATOM 0 HA VAL B 33 11.645 8.855 20.911 1.00 0.00 H new ATOM 0 HB VAL B 33 13.262 9.790 20.198 1.00 0.00 H new ATOM 0 HG11 VAL B 33 15.121 10.983 21.472 1.00 0.00 H new ATOM 0 HG12 VAL B 33 13.477 11.379 22.026 1.00 0.00 H new ATOM 0 HG13 VAL B 33 14.483 10.247 22.961 1.00 0.00 H new ATOM 0 HG21 VAL B 33 15.678 9.055 20.450 1.00 0.00 H new ATOM 0 HG22 VAL B 33 15.143 7.973 21.758 1.00 0.00 H new ATOM 0 HG23 VAL B 33 14.535 7.737 20.103 1.00 0.00 H new ATOM 1575 N THR B 34 12.083 6.408 21.006 1.00 0.00 N ATOM 1576 CA THR B 34 11.924 4.949 21.182 1.00 0.00 C ATOM 1577 C THR B 34 12.640 4.151 20.086 1.00 0.00 C ATOM 1578 O THR B 34 12.524 4.476 18.903 1.00 0.00 O ATOM 1579 CB THR B 34 10.432 4.554 21.243 1.00 0.00 C ATOM 1580 OG1 THR B 34 9.693 5.448 22.054 1.00 0.00 O ATOM 1581 CG2 THR B 34 10.228 3.165 21.850 1.00 0.00 C ATOM 0 H THR B 34 11.819 6.729 20.075 1.00 0.00 H new ATOM 0 HA THR B 34 12.393 4.697 22.133 1.00 0.00 H new ATOM 0 HB THR B 34 10.087 4.577 20.209 1.00 0.00 H new ATOM 0 HG1 THR B 34 9.157 4.939 22.697 1.00 0.00 H new ATOM 0 HG21 THR B 34 9.164 2.930 21.872 1.00 0.00 H new ATOM 0 HG22 THR B 34 10.750 2.423 21.246 1.00 0.00 H new ATOM 0 HG23 THR B 34 10.624 3.150 22.865 1.00 0.00 H new ATOM 1589 N THR B 35 13.369 3.099 20.460 1.00 0.00 N ATOM 1590 CA THR B 35 14.199 2.262 19.561 1.00 0.00 C ATOM 1591 C THR B 35 13.595 0.877 19.285 1.00 0.00 C ATOM 1592 O THR B 35 12.697 0.423 20.000 1.00 0.00 O ATOM 1593 CB THR B 35 15.619 2.077 20.141 1.00 0.00 C ATOM 1594 OG1 THR B 35 15.571 1.281 21.305 1.00 0.00 O ATOM 1595 CG2 THR B 35 16.323 3.386 20.504 1.00 0.00 C ATOM 0 H THR B 35 13.406 2.786 21.430 1.00 0.00 H new ATOM 0 HA THR B 35 14.239 2.801 18.614 1.00 0.00 H new ATOM 0 HB THR B 35 16.191 1.600 19.345 1.00 0.00 H new ATOM 0 HG1 THR B 35 14.993 1.709 21.970 1.00 0.00 H new ATOM 0 HG21 THR B 35 17.313 3.168 20.904 1.00 0.00 H new ATOM 0 HG22 THR B 35 16.420 4.006 19.613 1.00 0.00 H new ATOM 0 HG23 THR B 35 15.738 3.918 21.254 1.00 0.00 H new ATOM 1603 N LEU B 36 14.133 0.155 18.288 1.00 0.00 N ATOM 1604 CA LEU B 36 13.771 -1.248 18.014 1.00 0.00 C ATOM 1605 C LEU B 36 14.205 -2.265 19.090 1.00 0.00 C ATOM 1606 O LEU B 36 13.789 -3.428 19.043 1.00 0.00 O ATOM 1607 CB LEU B 36 14.229 -1.669 16.600 1.00 0.00 C ATOM 1608 CG LEU B 36 15.699 -1.436 16.199 1.00 0.00 C ATOM 1609 CD1 LEU B 36 16.743 -1.942 17.190 1.00 0.00 C ATOM 1610 CD2 LEU B 36 15.962 -2.156 14.876 1.00 0.00 C ATOM 0 H LEU B 36 14.833 0.528 17.647 1.00 0.00 H new ATOM 0 HA LEU B 36 12.682 -1.274 18.056 1.00 0.00 H new ATOM 0 HB2 LEU B 36 14.020 -2.733 16.488 1.00 0.00 H new ATOM 0 HB3 LEU B 36 13.602 -1.144 15.879 1.00 0.00 H new ATOM 0 HG LEU B 36 15.810 -0.353 16.149 1.00 0.00 H new ATOM 0 HD11 LEU B 36 17.741 -1.726 16.809 1.00 0.00 H new ATOM 0 HD12 LEU B 36 16.606 -1.443 18.150 1.00 0.00 H new ATOM 0 HD13 LEU B 36 16.629 -3.018 17.321 1.00 0.00 H new ATOM 0 HD21 LEU B 36 16.999 -2.001 14.577 1.00 0.00 H new ATOM 0 HD22 LEU B 36 15.775 -3.223 14.999 1.00 0.00 H new ATOM 0 HD23 LEU B 36 15.300 -1.758 14.107 1.00 0.00 H new ATOM 1622 N PHE B 37 14.985 -1.847 20.094 1.00 0.00 N ATOM 1623 CA PHE B 37 15.310 -2.655 21.279 1.00 0.00 C ATOM 1624 C PHE B 37 14.173 -2.670 22.324 1.00 0.00 C ATOM 1625 O PHE B 37 14.323 -3.259 23.392 1.00 0.00 O ATOM 1626 CB PHE B 37 16.625 -2.147 21.894 1.00 0.00 C ATOM 1627 CG PHE B 37 17.793 -2.053 20.926 1.00 0.00 C ATOM 1628 CD1 PHE B 37 18.341 -3.223 20.370 1.00 0.00 C ATOM 1629 CD2 PHE B 37 18.329 -0.797 20.574 1.00 0.00 C ATOM 1630 CE1 PHE B 37 19.405 -3.140 19.454 1.00 0.00 C ATOM 1631 CE2 PHE B 37 19.392 -0.715 19.659 1.00 0.00 C ATOM 1632 CZ PHE B 37 19.929 -1.885 19.093 1.00 0.00 C ATOM 0 H PHE B 37 15.416 -0.923 20.108 1.00 0.00 H new ATOM 0 HA PHE B 37 15.432 -3.689 20.957 1.00 0.00 H new ATOM 0 HB2 PHE B 37 16.450 -1.161 22.325 1.00 0.00 H new ATOM 0 HB3 PHE B 37 16.905 -2.809 22.714 1.00 0.00 H new ATOM 0 HD1 PHE B 37 17.943 -4.188 20.647 1.00 0.00 H new ATOM 0 HD2 PHE B 37 17.921 0.104 21.009 1.00 0.00 H new ATOM 0 HE1 PHE B 37 19.820 -4.041 19.027 1.00 0.00 H new ATOM 0 HE2 PHE B 37 19.798 0.249 19.390 1.00 0.00 H new ATOM 0 HZ PHE B 37 20.741 -1.821 18.384 1.00 0.00 H new ATOM 1642 N ASP B 38 13.052 -1.992 22.037 1.00 0.00 N ATOM 1643 CA ASP B 38 11.980 -1.634 22.979 1.00 0.00 C ATOM 1644 C ASP B 38 12.459 -0.764 24.163 1.00 0.00 C ATOM 1645 O ASP B 38 11.796 -0.667 25.202 1.00 0.00 O ATOM 1646 CB ASP B 38 11.173 -2.881 23.392 1.00 0.00 C ATOM 1647 CG ASP B 38 9.776 -2.572 23.960 1.00 0.00 C ATOM 1648 OD1 ASP B 38 9.250 -3.413 24.733 1.00 0.00 O ATOM 1649 OD2 ASP B 38 9.165 -1.533 23.596 1.00 0.00 O1- ATOM 0 H ASP B 38 12.858 -1.661 21.092 1.00 0.00 H new ATOM 0 HA ASP B 38 11.289 -0.978 22.451 1.00 0.00 H new ATOM 0 HB2 ASP B 38 11.064 -3.532 22.525 1.00 0.00 H new ATOM 0 HB3 ASP B 38 11.741 -3.436 24.138 1.00 0.00 H new ATOM 1654 N GLU B 39 13.620 -0.124 24.009 1.00 0.00 N ATOM 1655 CA GLU B 39 14.167 0.865 24.937 1.00 0.00 C ATOM 1656 C GLU B 39 13.667 2.275 24.573 1.00 0.00 C ATOM 1657 O GLU B 39 13.657 2.663 23.398 1.00 0.00 O ATOM 1658 CB GLU B 39 15.702 0.766 24.961 1.00 0.00 C ATOM 1659 CG GLU B 39 16.354 1.706 25.982 1.00 0.00 C ATOM 1660 CD GLU B 39 17.872 1.465 26.161 1.00 0.00 C ATOM 1661 OE1 GLU B 39 18.554 2.338 26.752 1.00 0.00 O ATOM 1662 OE2 GLU B 39 18.402 0.407 25.742 1.00 0.00 O1- ATOM 0 H GLU B 39 14.226 -0.287 23.205 1.00 0.00 H new ATOM 0 HA GLU B 39 13.814 0.658 25.947 1.00 0.00 H new ATOM 0 HB2 GLU B 39 15.990 -0.261 25.187 1.00 0.00 H new ATOM 0 HB3 GLU B 39 16.090 0.994 23.968 1.00 0.00 H new ATOM 0 HG2 GLU B 39 16.192 2.738 25.669 1.00 0.00 H new ATOM 0 HG3 GLU B 39 15.859 1.583 26.945 1.00 0.00 H new ATOM 1669 N GLU B 40 13.255 3.050 25.579 1.00 0.00 N ATOM 1670 CA GLU B 40 12.734 4.416 25.425 1.00 0.00 C ATOM 1671 C GLU B 40 13.526 5.417 26.283 1.00 0.00 C ATOM 1672 O GLU B 40 13.791 5.174 27.465 1.00 0.00 O ATOM 1673 CB GLU B 40 11.227 4.444 25.725 1.00 0.00 C ATOM 1674 CG GLU B 40 10.611 5.823 25.437 1.00 0.00 C ATOM 1675 CD GLU B 40 9.089 5.887 25.658 1.00 0.00 C ATOM 1676 OE1 GLU B 40 8.482 4.981 26.277 1.00 0.00 O ATOM 1677 OE2 GLU B 40 8.471 6.900 25.254 1.00 0.00 O1- ATOM 0 H GLU B 40 13.274 2.739 26.550 1.00 0.00 H new ATOM 0 HA GLU B 40 12.868 4.730 24.390 1.00 0.00 H new ATOM 0 HB2 GLU B 40 10.723 3.688 25.123 1.00 0.00 H new ATOM 0 HB3 GLU B 40 11.060 4.183 26.770 1.00 0.00 H new ATOM 0 HG2 GLU B 40 11.092 6.565 26.075 1.00 0.00 H new ATOM 0 HG3 GLU B 40 10.830 6.099 24.406 1.00 0.00 H new ATOM 1684 N HIS B 41 13.885 6.552 25.684 1.00 0.00 N ATOM 1685 CA HIS B 41 14.640 7.664 26.272 1.00 0.00 C ATOM 1686 C HIS B 41 13.729 8.875 26.501 1.00 0.00 C ATOM 1687 O HIS B 41 12.770 9.084 25.753 1.00 0.00 O ATOM 1688 CB HIS B 41 15.811 8.015 25.336 1.00 0.00 C ATOM 1689 CG HIS B 41 16.706 6.842 25.009 1.00 0.00 C ATOM 1690 ND1 HIS B 41 17.785 6.410 25.790 1.00 0.00 N ATOM 1691 CD2 HIS B 41 16.559 5.998 23.945 1.00 0.00 C ATOM 1692 CE1 HIS B 41 18.268 5.319 25.170 1.00 0.00 C ATOM 1693 NE2 HIS B 41 17.552 5.047 24.065 1.00 0.00 N ATOM 0 H HIS B 41 13.641 6.734 24.710 1.00 0.00 H new ATOM 0 HA HIS B 41 15.034 7.370 27.245 1.00 0.00 H new ATOM 0 HB2 HIS B 41 15.412 8.424 24.408 1.00 0.00 H new ATOM 0 HB3 HIS B 41 16.411 8.799 25.798 1.00 0.00 H new ATOM 0 HD2 HIS B 41 15.814 6.062 23.165 1.00 0.00 H new ATOM 0 HE1 HIS B 41 19.114 4.741 25.512 1.00 0.00 H new ATOM 0 HE2 HIS B 41 17.715 4.270 23.424 1.00 0.00 H new ATOM 1701 N ALA B 42 14.040 9.702 27.504 1.00 0.00 N ATOM 1702 CA ALA B 42 13.304 10.929 27.824 1.00 0.00 C ATOM 1703 C ALA B 42 14.255 12.079 28.215 1.00 0.00 C ATOM 1704 O ALA B 42 15.215 11.886 28.967 1.00 0.00 O ATOM 1705 CB ALA B 42 12.289 10.649 28.939 1.00 0.00 C ATOM 0 H ALA B 42 14.828 9.533 28.130 1.00 0.00 H new ATOM 0 HA ALA B 42 12.769 11.250 26.930 1.00 0.00 H new ATOM 0 HB1 ALA B 42 11.744 11.564 29.173 1.00 0.00 H new ATOM 0 HB2 ALA B 42 11.587 9.883 28.608 1.00 0.00 H new ATOM 0 HB3 ALA B 42 12.813 10.301 29.829 1.00 0.00 H new ATOM 1711 N PHE B 43 13.961 13.281 27.709 1.00 0.00 N ATOM 1712 CA PHE B 43 14.804 14.475 27.816 1.00 0.00 C ATOM 1713 C PHE B 43 13.952 15.715 28.145 1.00 0.00 C ATOM 1714 O PHE B 43 13.407 16.360 27.239 1.00 0.00 O ATOM 1715 CB PHE B 43 15.616 14.635 26.522 1.00 0.00 C ATOM 1716 CG PHE B 43 16.469 13.434 26.160 1.00 0.00 C ATOM 1717 CD1 PHE B 43 17.600 13.114 26.939 1.00 0.00 C ATOM 1718 CD2 PHE B 43 16.115 12.611 25.073 1.00 0.00 C ATOM 1719 CE1 PHE B 43 18.363 11.971 26.634 1.00 0.00 C ATOM 1720 CE2 PHE B 43 16.885 11.477 24.762 1.00 0.00 C ATOM 1721 CZ PHE B 43 18.007 11.155 25.546 1.00 0.00 C ATOM 0 H PHE B 43 13.097 13.455 27.195 1.00 0.00 H new ATOM 0 HA PHE B 43 15.508 14.364 28.640 1.00 0.00 H new ATOM 0 HB2 PHE B 43 14.929 14.837 25.700 1.00 0.00 H new ATOM 0 HB3 PHE B 43 16.262 15.507 26.620 1.00 0.00 H new ATOM 0 HD1 PHE B 43 17.881 13.745 27.769 1.00 0.00 H new ATOM 0 HD2 PHE B 43 15.248 12.852 24.476 1.00 0.00 H new ATOM 0 HE1 PHE B 43 19.223 11.721 27.237 1.00 0.00 H new ATOM 0 HE2 PHE B 43 16.615 10.854 23.922 1.00 0.00 H new ATOM 0 HZ PHE B 43 18.596 10.280 25.312 1.00 0.00 H new ATOM 1731 N PRO B 44 13.774 16.050 29.438 1.00 0.00 N ATOM 1732 CA PRO B 44 12.981 17.200 29.866 1.00 0.00 C ATOM 1733 C PRO B 44 13.639 18.542 29.516 1.00 0.00 C ATOM 1734 O PRO B 44 14.867 18.679 29.532 1.00 0.00 O ATOM 1735 CB PRO B 44 12.754 17.019 31.369 1.00 0.00 C ATOM 1736 CG PRO B 44 13.948 16.178 31.812 1.00 0.00 C ATOM 1737 CD PRO B 44 14.262 15.312 30.594 1.00 0.00 C ATOM 0 HA PRO B 44 12.030 17.236 29.334 1.00 0.00 H new ATOM 0 HB2 PRO B 44 12.723 17.977 31.888 1.00 0.00 H new ATOM 0 HB3 PRO B 44 11.810 16.515 31.574 1.00 0.00 H new ATOM 0 HG2 PRO B 44 14.797 16.804 32.086 1.00 0.00 H new ATOM 0 HG3 PRO B 44 13.706 15.569 32.683 1.00 0.00 H new ATOM 0 HD2 PRO B 44 15.333 15.126 30.514 1.00 0.00 H new ATOM 0 HD3 PRO B 44 13.774 14.340 30.670 1.00 0.00 H new ATOM 1745 N GLY B 45 12.807 19.537 29.201 1.00 0.00 N ATOM 1746 CA GLY B 45 13.219 20.880 28.761 1.00 0.00 C ATOM 1747 C GLY B 45 13.527 21.016 27.264 1.00 0.00 C ATOM 1748 O GLY B 45 13.859 22.115 26.809 1.00 0.00 O ATOM 0 H GLY B 45 11.794 19.431 29.245 1.00 0.00 H new ATOM 0 HA2 GLY B 45 12.429 21.586 29.018 1.00 0.00 H new ATOM 0 HA3 GLY B 45 14.105 21.173 29.325 1.00 0.00 H new ATOM 1752 N LEU B 46 13.426 19.929 26.482 1.00 0.00 N ATOM 1753 CA LEU B 46 13.660 19.928 25.033 1.00 0.00 C ATOM 1754 C LEU B 46 12.369 20.009 24.195 1.00 0.00 C ATOM 1755 O LEU B 46 11.270 19.714 24.667 1.00 0.00 O ATOM 1756 CB LEU B 46 14.495 18.703 24.614 1.00 0.00 C ATOM 1757 CG LEU B 46 15.855 18.527 25.310 1.00 0.00 C ATOM 1758 CD1 LEU B 46 16.656 17.450 24.582 1.00 0.00 C ATOM 1759 CD2 LEU B 46 16.720 19.790 25.309 1.00 0.00 C ATOM 0 H LEU B 46 13.175 19.011 26.848 1.00 0.00 H new ATOM 0 HA LEU B 46 14.219 20.840 24.822 1.00 0.00 H new ATOM 0 HB2 LEU B 46 13.901 17.807 24.795 1.00 0.00 H new ATOM 0 HB3 LEU B 46 14.667 18.759 23.539 1.00 0.00 H new ATOM 0 HG LEU B 46 15.627 18.267 26.344 1.00 0.00 H new ATOM 0 HD11 LEU B 46 17.621 17.321 25.072 1.00 0.00 H new ATOM 0 HD12 LEU B 46 16.107 16.508 24.608 1.00 0.00 H new ATOM 0 HD13 LEU B 46 16.812 17.750 23.546 1.00 0.00 H new ATOM 0 HD21 LEU B 46 17.662 19.586 25.818 1.00 0.00 H new ATOM 0 HD22 LEU B 46 16.921 20.093 24.281 1.00 0.00 H new ATOM 0 HD23 LEU B 46 16.194 20.592 25.827 1.00 0.00 H new ATOM 1771 N ALA B 47 12.548 20.344 22.915 1.00 0.00 N ATOM 1772 CA ALA B 47 11.611 20.199 21.801 1.00 0.00 C ATOM 1773 C ALA B 47 12.364 19.736 20.538 1.00 0.00 C ATOM 1774 O ALA B 47 13.586 19.898 20.433 1.00 0.00 O ATOM 1775 CB ALA B 47 10.877 21.534 21.585 1.00 0.00 C ATOM 0 H ALA B 47 13.427 20.759 22.606 1.00 0.00 H new ATOM 0 HA ALA B 47 10.865 19.437 22.028 1.00 0.00 H new ATOM 0 HB1 ALA B 47 10.176 21.434 20.756 1.00 0.00 H new ATOM 0 HB2 ALA B 47 10.332 21.800 22.491 1.00 0.00 H new ATOM 0 HB3 ALA B 47 11.602 22.315 21.355 1.00 0.00 H new ATOM 1781 N ILE B 48 11.655 19.155 19.563 1.00 0.00 N ATOM 1782 CA ILE B 48 12.248 18.755 18.276 1.00 0.00 C ATOM 1783 C ILE B 48 12.549 20.032 17.469 1.00 0.00 C ATOM 1784 O ILE B 48 11.636 20.791 17.134 1.00 0.00 O ATOM 1785 CB ILE B 48 11.331 17.765 17.518 1.00 0.00 C ATOM 1786 CG1 ILE B 48 11.065 16.470 18.328 1.00 0.00 C ATOM 1787 CG2 ILE B 48 11.969 17.388 16.170 1.00 0.00 C ATOM 1788 CD1 ILE B 48 9.826 15.698 17.864 1.00 0.00 C ATOM 0 H ILE B 48 10.659 18.949 19.640 1.00 0.00 H new ATOM 0 HA ILE B 48 13.182 18.217 18.439 1.00 0.00 H new ATOM 0 HB ILE B 48 10.377 18.268 17.363 1.00 0.00 H new ATOM 0 HG12 ILE B 48 11.937 15.820 18.253 1.00 0.00 H new ATOM 0 HG13 ILE B 48 10.949 16.728 19.381 1.00 0.00 H new ATOM 0 HG21 ILE B 48 11.318 16.691 15.642 1.00 0.00 H new ATOM 0 HG22 ILE B 48 12.104 18.286 15.567 1.00 0.00 H new ATOM 0 HG23 ILE B 48 12.937 16.919 16.344 1.00 0.00 H new ATOM 0 HD11 ILE B 48 9.704 14.805 18.476 1.00 0.00 H new ATOM 0 HD12 ILE B 48 8.944 16.331 17.965 1.00 0.00 H new ATOM 0 HD13 ILE B 48 9.947 15.409 16.820 1.00 0.00 H new ATOM 1800 N GLY B 49 13.833 20.286 17.191 1.00 0.00 N ATOM 1801 CA GLY B 49 14.321 21.525 16.583 1.00 0.00 C ATOM 1802 C GLY B 49 14.534 21.460 15.069 1.00 0.00 C ATOM 1803 O GLY B 49 14.228 22.426 14.367 1.00 0.00 O ATOM 0 H GLY B 49 14.578 19.618 17.388 1.00 0.00 H new ATOM 0 HA2 GLY B 49 13.612 22.323 16.801 1.00 0.00 H new ATOM 0 HA3 GLY B 49 15.264 21.798 17.056 1.00 0.00 H new ATOM 1807 N ARG B 50 15.058 20.342 14.557 1.00 0.00 N ATOM 1808 CA ARG B 50 15.430 20.165 13.142 1.00 0.00 C ATOM 1809 C ARG B 50 15.418 18.686 12.731 1.00 0.00 C ATOM 1810 O ARG B 50 15.673 17.808 13.551 1.00 0.00 O ATOM 1811 CB ARG B 50 16.792 20.868 12.907 1.00 0.00 C ATOM 1812 CG ARG B 50 17.453 20.586 11.552 1.00 0.00 C ATOM 1813 CD ARG B 50 18.705 21.445 11.352 1.00 0.00 C ATOM 1814 NE ARG B 50 19.409 21.037 10.125 1.00 0.00 N ATOM 1815 CZ ARG B 50 20.466 21.589 9.567 1.00 0.00 C ATOM 1816 NH1 ARG B 50 21.053 22.639 10.080 1.00 0.00 N1+ ATOM 1817 NH2 ARG B 50 20.971 21.076 8.482 1.00 0.00 N ATOM 0 H ARG B 50 15.241 19.514 15.124 1.00 0.00 H new ATOM 0 HA ARG B 50 14.689 20.633 12.494 1.00 0.00 H new ATOM 0 HB2 ARG B 50 16.648 21.944 13.005 1.00 0.00 H new ATOM 0 HB3 ARG B 50 17.479 20.565 13.697 1.00 0.00 H new ATOM 0 HG2 ARG B 50 17.720 19.531 11.488 1.00 0.00 H new ATOM 0 HG3 ARG B 50 16.742 20.784 10.750 1.00 0.00 H new ATOM 0 HD2 ARG B 50 18.427 22.497 11.288 1.00 0.00 H new ATOM 0 HD3 ARG B 50 19.367 21.342 12.212 1.00 0.00 H new ATOM 0 HE ARG B 50 19.029 20.221 9.645 1.00 0.00 H new ATOM 0 HH11 ARG B 50 20.693 23.056 10.939 1.00 0.00 H new ATOM 0 HH12 ARG B 50 21.870 23.041 9.621 1.00 0.00 H new ATOM 0 HH21 ARG B 50 20.548 20.247 8.065 1.00 0.00 H new ATOM 0 HH22 ARG B 50 21.790 21.503 8.049 1.00 0.00 H new ATOM 1831 N VAL B 51 15.140 18.414 11.453 1.00 0.00 N ATOM 1832 CA VAL B 51 15.177 17.078 10.835 1.00 0.00 C ATOM 1833 C VAL B 51 15.776 17.174 9.427 1.00 0.00 C ATOM 1834 O VAL B 51 15.342 18.019 8.644 1.00 0.00 O ATOM 1835 CB VAL B 51 13.769 16.436 10.775 1.00 0.00 C ATOM 1836 CG1 VAL B 51 13.830 14.985 10.264 1.00 0.00 C ATOM 1837 CG2 VAL B 51 13.045 16.431 12.127 1.00 0.00 C ATOM 0 H VAL B 51 14.872 19.143 10.792 1.00 0.00 H new ATOM 0 HA VAL B 51 15.804 16.437 11.455 1.00 0.00 H new ATOM 0 HB VAL B 51 13.207 17.062 10.082 1.00 0.00 H new ATOM 0 HG11 VAL B 51 12.824 14.567 10.235 1.00 0.00 H new ATOM 0 HG12 VAL B 51 14.258 14.970 9.262 1.00 0.00 H new ATOM 0 HG13 VAL B 51 14.451 14.390 10.933 1.00 0.00 H new ATOM 0 HG21 VAL B 51 12.065 15.967 12.013 1.00 0.00 H new ATOM 0 HG22 VAL B 51 13.632 15.867 12.852 1.00 0.00 H new ATOM 0 HG23 VAL B 51 12.923 17.456 12.478 1.00 0.00 H new ATOM 1847 N ASP B 52 16.728 16.303 9.073 1.00 0.00 N ATOM 1848 CA ASP B 52 17.298 16.199 7.716 1.00 0.00 C ATOM 1849 C ASP B 52 17.176 14.761 7.182 1.00 0.00 C ATOM 1850 O ASP B 52 17.795 13.834 7.708 1.00 0.00 O ATOM 1851 CB ASP B 52 18.762 16.675 7.628 1.00 0.00 C ATOM 1852 CG ASP B 52 19.025 18.116 8.086 1.00 0.00 C ATOM 1853 OD1 ASP B 52 18.677 18.501 9.220 1.00 0.00 O ATOM 1854 OD2 ASP B 52 19.666 18.878 7.325 1.00 0.00 O1- ATOM 0 H ASP B 52 17.134 15.637 9.730 1.00 0.00 H new ATOM 0 HA ASP B 52 16.711 16.872 7.091 1.00 0.00 H new ATOM 0 HB2 ASP B 52 19.379 16.005 8.227 1.00 0.00 H new ATOM 0 HB3 ASP B 52 19.095 16.576 6.595 1.00 0.00 H new ATOM 1859 N LEU B 53 16.391 14.572 6.121 1.00 0.00 N ATOM 1860 CA LEU B 53 16.120 13.272 5.502 1.00 0.00 C ATOM 1861 C LEU B 53 17.262 12.810 4.566 1.00 0.00 C ATOM 1862 O LEU B 53 17.442 11.609 4.358 1.00 0.00 O ATOM 1863 CB LEU B 53 14.773 13.324 4.756 1.00 0.00 C ATOM 1864 CG LEU B 53 13.490 13.594 5.582 1.00 0.00 C ATOM 1865 CD1 LEU B 53 13.376 12.680 6.801 1.00 0.00 C ATOM 1866 CD2 LEU B 53 13.316 15.042 6.053 1.00 0.00 C ATOM 0 H LEU B 53 15.911 15.342 5.654 1.00 0.00 H new ATOM 0 HA LEU B 53 16.062 12.529 6.298 1.00 0.00 H new ATOM 0 HB2 LEU B 53 14.845 14.097 3.991 1.00 0.00 H new ATOM 0 HB3 LEU B 53 14.642 12.374 4.238 1.00 0.00 H new ATOM 0 HG LEU B 53 12.693 13.379 4.870 1.00 0.00 H new ATOM 0 HD11 LEU B 53 12.460 12.911 7.344 1.00 0.00 H new ATOM 0 HD12 LEU B 53 13.352 11.640 6.475 1.00 0.00 H new ATOM 0 HD13 LEU B 53 14.234 12.836 7.454 1.00 0.00 H new ATOM 0 HD21 LEU B 53 12.390 15.131 6.622 1.00 0.00 H new ATOM 0 HD22 LEU B 53 14.159 15.323 6.685 1.00 0.00 H new ATOM 0 HD23 LEU B 53 13.275 15.704 5.188 1.00 0.00 H new ATOM 1878 N ARG B 54 18.066 13.758 4.056 1.00 0.00 N ATOM 1879 CA ARG B 54 19.302 13.487 3.299 1.00 0.00 C ATOM 1880 C ARG B 54 20.381 12.823 4.166 1.00 0.00 C ATOM 1881 O ARG B 54 21.043 11.888 3.714 1.00 0.00 O ATOM 1882 CB ARG B 54 19.839 14.798 2.698 1.00 0.00 C ATOM 1883 CG ARG B 54 18.996 15.367 1.548 1.00 0.00 C ATOM 1884 CD ARG B 54 19.021 14.522 0.267 1.00 0.00 C ATOM 1885 NE ARG B 54 20.372 14.445 -0.333 1.00 0.00 N ATOM 1886 CZ ARG B 54 20.711 13.754 -1.407 1.00 0.00 C ATOM 1887 NH1 ARG B 54 19.853 13.031 -2.073 1.00 0.00 N1+ ATOM 1888 NH2 ARG B 54 21.943 13.774 -1.837 1.00 0.00 N ATOM 0 H ARG B 54 17.872 14.754 4.160 1.00 0.00 H new ATOM 0 HA ARG B 54 19.054 12.787 2.501 1.00 0.00 H new ATOM 0 HB2 ARG B 54 19.902 15.546 3.489 1.00 0.00 H new ATOM 0 HB3 ARG B 54 20.854 14.628 2.338 1.00 0.00 H new ATOM 0 HG2 ARG B 54 17.964 15.465 1.884 1.00 0.00 H new ATOM 0 HG3 ARG B 54 19.352 16.370 1.314 1.00 0.00 H new ATOM 0 HD2 ARG B 54 18.669 13.515 0.492 1.00 0.00 H new ATOM 0 HD3 ARG B 54 18.328 14.947 -0.459 1.00 0.00 H new ATOM 0 HE ARG B 54 21.112 14.976 0.126 1.00 0.00 H new ATOM 0 HH11 ARG B 54 18.880 12.985 -1.769 1.00 0.00 H new ATOM 0 HH12 ARG B 54 20.155 12.512 -2.898 1.00 0.00 H new ATOM 0 HH21 ARG B 54 22.646 14.324 -1.344 1.00 0.00 H new ATOM 0 HH22 ARG B 54 22.202 13.240 -2.666 1.00 0.00 H new ATOM 1902 N SER B 55 20.540 13.284 5.412 1.00 0.00 N ATOM 1903 CA SER B 55 21.485 12.719 6.388 1.00 0.00 C ATOM 1904 C SER B 55 20.885 11.575 7.230 1.00 0.00 C ATOM 1905 O SER B 55 21.617 10.714 7.723 1.00 0.00 O ATOM 1906 CB SER B 55 22.000 13.847 7.292 1.00 0.00 C ATOM 1907 OG SER B 55 23.069 13.422 8.125 1.00 0.00 O ATOM 0 H SER B 55 20.008 14.073 5.779 1.00 0.00 H new ATOM 0 HA SER B 55 22.308 12.273 5.830 1.00 0.00 H new ATOM 0 HB2 SER B 55 22.332 14.682 6.675 1.00 0.00 H new ATOM 0 HB3 SER B 55 21.183 14.215 7.912 1.00 0.00 H new ATOM 0 HG SER B 55 23.367 14.171 8.682 1.00 0.00 H new ATOM 1913 N GLY B 56 19.554 11.558 7.393 1.00 0.00 N ATOM 1914 CA GLY B 56 18.840 10.619 8.262 1.00 0.00 C ATOM 1915 C GLY B 56 18.995 10.963 9.750 1.00 0.00 C ATOM 1916 O GLY B 56 19.362 10.095 10.543 1.00 0.00 O ATOM 0 H GLY B 56 18.934 12.211 6.914 1.00 0.00 H new ATOM 0 HA2 GLY B 56 17.782 10.619 8.000 1.00 0.00 H new ATOM 0 HA3 GLY B 56 19.212 9.610 8.085 1.00 0.00 H new ATOM 1920 N VAL B 57 18.771 12.228 10.124 1.00 0.00 N ATOM 1921 CA VAL B 57 19.015 12.736 11.487 1.00 0.00 C ATOM 1922 C VAL B 57 17.883 13.629 12.008 1.00 0.00 C ATOM 1923 O VAL B 57 17.284 14.411 11.267 1.00 0.00 O ATOM 1924 CB VAL B 57 20.396 13.421 11.575 1.00 0.00 C ATOM 1925 CG1 VAL B 57 20.452 14.761 10.837 1.00 0.00 C ATOM 1926 CG2 VAL B 57 20.856 13.655 13.019 1.00 0.00 C ATOM 0 H VAL B 57 18.412 12.938 9.486 1.00 0.00 H new ATOM 0 HA VAL B 57 19.027 11.874 12.154 1.00 0.00 H new ATOM 0 HB VAL B 57 21.070 12.715 11.089 1.00 0.00 H new ATOM 0 HG11 VAL B 57 21.449 15.190 10.937 1.00 0.00 H new ATOM 0 HG12 VAL B 57 20.229 14.605 9.782 1.00 0.00 H new ATOM 0 HG13 VAL B 57 19.718 15.443 11.266 1.00 0.00 H new ATOM 0 HG21 VAL B 57 21.833 14.139 13.016 1.00 0.00 H new ATOM 0 HG22 VAL B 57 20.136 14.293 13.531 1.00 0.00 H new ATOM 0 HG23 VAL B 57 20.927 12.699 13.538 1.00 0.00 H new ATOM 1936 N ILE B 58 17.619 13.517 13.309 1.00 0.00 N ATOM 1937 CA ILE B 58 16.702 14.338 14.110 1.00 0.00 C ATOM 1938 C ILE B 58 17.536 15.079 15.169 1.00 0.00 C ATOM 1939 O ILE B 58 18.368 14.470 15.841 1.00 0.00 O ATOM 1940 CB ILE B 58 15.624 13.425 14.750 1.00 0.00 C ATOM 1941 CG1 ILE B 58 14.708 12.832 13.653 1.00 0.00 C ATOM 1942 CG2 ILE B 58 14.793 14.157 15.820 1.00 0.00 C ATOM 1943 CD1 ILE B 58 13.804 11.699 14.143 1.00 0.00 C ATOM 0 H ILE B 58 18.071 12.799 13.875 1.00 0.00 H new ATOM 0 HA ILE B 58 16.181 15.073 13.497 1.00 0.00 H new ATOM 0 HB ILE B 58 16.144 12.614 15.259 1.00 0.00 H new ATOM 0 HG12 ILE B 58 14.086 13.628 13.244 1.00 0.00 H new ATOM 0 HG13 ILE B 58 15.329 12.461 12.837 1.00 0.00 H new ATOM 0 HG21 ILE B 58 14.053 13.474 16.236 1.00 0.00 H new ATOM 0 HG22 ILE B 58 15.451 14.508 16.615 1.00 0.00 H new ATOM 0 HG23 ILE B 58 14.286 15.009 15.367 1.00 0.00 H new ATOM 0 HD11 ILE B 58 13.193 11.337 13.316 1.00 0.00 H new ATOM 0 HD12 ILE B 58 14.418 10.883 14.525 1.00 0.00 H new ATOM 0 HD13 ILE B 58 13.156 12.068 14.938 1.00 0.00 H new ATOM 1955 N SER B 59 17.317 16.382 15.331 1.00 0.00 N ATOM 1956 CA SER B 59 18.076 17.257 16.233 1.00 0.00 C ATOM 1957 C SER B 59 17.153 17.997 17.199 1.00 0.00 C ATOM 1958 O SER B 59 16.179 18.635 16.781 1.00 0.00 O ATOM 1959 CB SER B 59 18.930 18.222 15.412 1.00 0.00 C ATOM 1960 OG SER B 59 19.716 19.044 16.261 1.00 0.00 O ATOM 0 H SER B 59 16.584 16.877 14.824 1.00 0.00 H new ATOM 0 HA SER B 59 18.738 16.644 16.845 1.00 0.00 H new ATOM 0 HB2 SER B 59 19.578 17.660 14.740 1.00 0.00 H new ATOM 0 HB3 SER B 59 18.287 18.844 14.789 1.00 0.00 H new ATOM 0 HG SER B 59 20.257 19.654 15.717 1.00 0.00 H new ATOM 1966 N LEU B 60 17.434 17.885 18.499 1.00 0.00 N ATOM 1967 CA LEU B 60 16.646 18.482 19.581 1.00 0.00 C ATOM 1968 C LEU B 60 17.278 19.784 20.098 1.00 0.00 C ATOM 1969 O LEU B 60 18.504 19.933 20.108 1.00 0.00 O ATOM 1970 CB LEU B 60 16.458 17.463 20.720 1.00 0.00 C ATOM 1971 CG LEU B 60 16.033 16.039 20.301 1.00 0.00 C ATOM 1972 CD1 LEU B 60 15.824 15.190 21.554 1.00 0.00 C ATOM 1973 CD2 LEU B 60 14.739 16.029 19.486 1.00 0.00 C ATOM 0 H LEU B 60 18.240 17.361 18.839 1.00 0.00 H new ATOM 0 HA LEU B 60 15.667 18.745 19.181 1.00 0.00 H new ATOM 0 HB2 LEU B 60 17.394 17.392 21.273 1.00 0.00 H new ATOM 0 HB3 LEU B 60 15.710 17.854 21.409 1.00 0.00 H new ATOM 0 HG LEU B 60 16.828 15.635 19.674 1.00 0.00 H new ATOM 0 HD11 LEU B 60 15.524 14.183 21.265 1.00 0.00 H new ATOM 0 HD12 LEU B 60 16.754 15.143 22.121 1.00 0.00 H new ATOM 0 HD13 LEU B 60 15.045 15.638 22.171 1.00 0.00 H new ATOM 0 HD21 LEU B 60 14.486 15.003 19.218 1.00 0.00 H new ATOM 0 HD22 LEU B 60 13.932 16.458 20.080 1.00 0.00 H new ATOM 0 HD23 LEU B 60 14.876 16.618 18.579 1.00 0.00 H new ATOM 1985 N ILE B 61 16.439 20.710 20.568 1.00 0.00 N ATOM 1986 CA ILE B 61 16.823 22.019 21.121 1.00 0.00 C ATOM 1987 C ILE B 61 16.101 22.284 22.446 1.00 0.00 C ATOM 1988 O ILE B 61 15.026 21.743 22.689 1.00 0.00 O ATOM 1989 CB ILE B 61 16.598 23.160 20.094 1.00 0.00 C ATOM 1990 CG1 ILE B 61 15.149 23.328 19.582 1.00 0.00 C ATOM 1991 CG2 ILE B 61 17.544 22.984 18.894 1.00 0.00 C ATOM 1992 CD1 ILE B 61 14.259 24.217 20.459 1.00 0.00 C ATOM 0 H ILE B 61 15.429 20.566 20.576 1.00 0.00 H new ATOM 0 HA ILE B 61 17.892 21.996 21.332 1.00 0.00 H new ATOM 0 HB ILE B 61 16.816 24.073 20.648 1.00 0.00 H new ATOM 0 HG12 ILE B 61 15.180 23.747 18.576 1.00 0.00 H new ATOM 0 HG13 ILE B 61 14.690 22.343 19.503 1.00 0.00 H new ATOM 0 HG21 ILE B 61 17.378 23.790 18.179 1.00 0.00 H new ATOM 0 HG22 ILE B 61 18.578 23.011 19.239 1.00 0.00 H new ATOM 0 HG23 ILE B 61 17.347 22.026 18.413 1.00 0.00 H new ATOM 0 HD11 ILE B 61 13.262 24.277 20.023 1.00 0.00 H new ATOM 0 HD12 ILE B 61 14.192 23.790 21.460 1.00 0.00 H new ATOM 0 HD13 ILE B 61 14.690 25.217 20.519 1.00 0.00 H new ATOM 2004 N GLU B 62 16.685 23.113 23.314 1.00 0.00 N ATOM 2005 CA GLU B 62 16.022 23.569 24.547 1.00 0.00 C ATOM 2006 C GLU B 62 14.857 24.517 24.223 1.00 0.00 C ATOM 2007 O GLU B 62 15.039 25.531 23.542 1.00 0.00 O ATOM 2008 CB GLU B 62 17.020 24.258 25.494 1.00 0.00 C ATOM 2009 CG GLU B 62 18.106 23.307 26.016 1.00 0.00 C ATOM 2010 CD GLU B 62 19.143 24.035 26.901 1.00 0.00 C ATOM 2011 OE1 GLU B 62 20.364 23.790 26.738 1.00 0.00 O ATOM 2012 OE2 GLU B 62 18.750 24.836 27.784 1.00 0.00 O1- ATOM 0 H GLU B 62 17.625 23.488 23.187 1.00 0.00 H new ATOM 0 HA GLU B 62 15.625 22.688 25.052 1.00 0.00 H new ATOM 0 HB2 GLU B 62 17.493 25.089 24.972 1.00 0.00 H new ATOM 0 HB3 GLU B 62 16.478 24.680 26.340 1.00 0.00 H new ATOM 0 HG2 GLU B 62 17.640 22.506 26.590 1.00 0.00 H new ATOM 0 HG3 GLU B 62 18.614 22.841 25.172 1.00 0.00 H new ATOM 2019 N GLU B 63 13.653 24.213 24.714 1.00 0.00 N ATOM 2020 CA GLU B 63 12.435 24.984 24.412 1.00 0.00 C ATOM 2021 C GLU B 63 12.383 26.343 25.143 1.00 0.00 C ATOM 2022 O GLU B 63 11.646 27.242 24.734 1.00 0.00 O ATOM 2023 CB GLU B 63 11.198 24.099 24.653 1.00 0.00 C ATOM 2024 CG GLU B 63 10.832 23.862 26.127 1.00 0.00 C ATOM 2025 CD GLU B 63 9.950 24.966 26.747 1.00 0.00 C ATOM 2026 OE1 GLU B 63 9.027 25.491 26.075 1.00 0.00 O ATOM 2027 OE2 GLU B 63 10.165 25.295 27.940 1.00 0.00 O1- ATOM 0 H GLU B 63 13.490 23.421 25.336 1.00 0.00 H new ATOM 0 HA GLU B 63 12.448 25.259 23.357 1.00 0.00 H new ATOM 0 HB2 GLU B 63 10.343 24.555 24.153 1.00 0.00 H new ATOM 0 HB3 GLU B 63 11.366 23.132 24.178 1.00 0.00 H new ATOM 0 HG2 GLU B 63 10.312 22.908 26.211 1.00 0.00 H new ATOM 0 HG3 GLU B 63 11.750 23.777 26.708 1.00 0.00 H new