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+ -164:sc= 1.31 (180deg=1.15) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -55:sc= 0.115 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 161:sc= 0 (180deg=-0.022) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 THR OG1 : rot -179:sc= 0.726 USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 THR OG1 : rot 180:sc= 0 USER MOD Single : B 35 THR OG1 : rot -63:sc= 0.386 USER MOD Single : B 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 55 SER OG : rot -99:sc= 0.943 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 87 N ALA A 4 10.682 11.364 3.708 1.00 0.00 N ATOM 88 CA ALA A 4 9.572 11.655 4.614 1.00 0.00 C ATOM 89 C ALA A 4 8.480 12.542 3.982 1.00 0.00 C ATOM 90 O ALA A 4 8.643 13.112 2.893 1.00 0.00 O ATOM 91 CB ALA A 4 10.155 12.298 5.874 1.00 0.00 C ATOM 0 HA ALA A 4 9.065 10.721 4.856 1.00 0.00 H new ATOM 0 HB1 ALA A 4 9.349 12.528 6.571 1.00 0.00 H new ATOM 0 HB2 ALA A 4 10.856 11.608 6.344 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.676 13.217 5.606 1.00 0.00 H new ATOM 97 N LYS A 5 7.362 12.683 4.705 1.00 0.00 N ATOM 98 CA LYS A 5 6.252 13.607 4.406 1.00 0.00 C ATOM 99 C LYS A 5 5.817 14.386 5.651 1.00 0.00 C ATOM 100 O LYS A 5 5.826 13.842 6.758 1.00 0.00 O ATOM 101 CB LYS A 5 5.077 12.854 3.752 1.00 0.00 C ATOM 102 CG LYS A 5 4.510 11.696 4.598 1.00 0.00 C ATOM 103 CD LYS A 5 3.227 11.096 4.012 1.00 0.00 C ATOM 104 CE LYS A 5 2.044 12.058 4.170 1.00 0.00 C ATOM 105 NZ LYS A 5 0.812 11.521 3.545 1.00 0.00 N1+ ATOM 0 H LYS A 5 7.196 12.136 5.550 1.00 0.00 H new ATOM 0 HA LYS A 5 6.609 14.344 3.687 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.276 13.564 3.547 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.405 12.458 2.791 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.264 10.913 4.684 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.308 12.056 5.607 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.377 10.870 2.956 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.002 10.153 4.511 1.00 0.00 H new ATOM 0 HE2 LYS A 5 1.864 12.242 5.229 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.293 13.018 3.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.119 12.288 3.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 1.042 11.118 2.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 0.409 10.780 4.153 1.00 0.00 H new ATOM 119 N VAL A 6 5.417 15.643 5.471 1.00 0.00 N ATOM 120 CA VAL A 6 4.901 16.528 6.531 1.00 0.00 C ATOM 121 C VAL A 6 3.375 16.629 6.465 1.00 0.00 C ATOM 122 O VAL A 6 2.806 16.647 5.370 1.00 0.00 O ATOM 123 CB VAL A 6 5.574 17.920 6.460 1.00 0.00 C ATOM 124 CG1 VAL A 6 5.002 18.938 7.458 1.00 0.00 C ATOM 125 CG2 VAL A 6 7.072 17.817 6.751 1.00 0.00 C ATOM 0 H VAL A 6 5.441 16.095 4.557 1.00 0.00 H new ATOM 0 HA VAL A 6 5.155 16.092 7.497 1.00 0.00 H new ATOM 0 HB VAL A 6 5.377 18.268 5.446 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.524 19.888 7.348 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.940 19.083 7.262 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.136 18.566 8.474 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.522 18.808 6.695 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.221 17.406 7.750 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.541 17.163 6.016 1.00 0.00 H new ATOM 135 N VAL A 7 2.714 16.734 7.621 1.00 0.00 N ATOM 136 CA VAL A 7 1.271 17.011 7.769 1.00 0.00 C ATOM 137 C VAL A 7 1.009 18.039 8.873 1.00 0.00 C ATOM 138 O VAL A 7 1.672 18.028 9.916 1.00 0.00 O ATOM 139 CB VAL A 7 0.475 15.696 7.968 1.00 0.00 C ATOM 140 CG1 VAL A 7 0.899 14.887 9.203 1.00 0.00 C ATOM 141 CG2 VAL A 7 -1.038 15.953 8.068 1.00 0.00 C ATOM 0 H VAL A 7 3.183 16.625 8.520 1.00 0.00 H new ATOM 0 HA VAL A 7 0.910 17.461 6.844 1.00 0.00 H new ATOM 0 HB VAL A 7 0.708 15.109 7.079 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.295 13.982 9.271 1.00 0.00 H new ATOM 0 HG12 VAL A 7 1.951 14.615 9.116 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.753 15.489 10.100 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.560 15.006 8.207 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.241 16.607 8.916 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.388 16.429 7.152 1.00 0.00 H new ATOM 151 N LEU A 8 0.048 18.941 8.643 1.00 0.00 N ATOM 152 CA LEU A 8 -0.313 20.042 9.551 1.00 0.00 C ATOM 153 C LEU A 8 -1.786 20.465 9.432 1.00 0.00 C ATOM 154 O LEU A 8 -2.429 20.244 8.398 1.00 0.00 O ATOM 155 CB LEU A 8 0.635 21.233 9.297 1.00 0.00 C ATOM 156 CG LEU A 8 0.483 21.927 7.921 1.00 0.00 C ATOM 157 CD1 LEU A 8 -0.447 23.147 7.968 1.00 0.00 C ATOM 158 CD2 LEU A 8 1.846 22.418 7.427 1.00 0.00 C ATOM 0 H LEU A 8 -0.519 18.927 7.795 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.195 19.686 10.574 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.474 21.976 10.078 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.663 20.884 9.396 1.00 0.00 H new ATOM 0 HG LEU A 8 0.055 21.180 7.253 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.514 23.592 6.975 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.439 22.836 8.294 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.049 23.881 8.668 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.728 22.905 6.459 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.258 23.129 8.143 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.524 21.570 7.327 1.00 0.00 H new ATOM 266 N VAL A 16 -3.060 20.554 5.421 1.00 0.00 N ATOM 267 CA VAL A 16 -2.034 20.600 4.361 1.00 0.00 C ATOM 268 C VAL A 16 -1.033 19.447 4.539 1.00 0.00 C ATOM 269 O VAL A 16 -0.672 19.107 5.670 1.00 0.00 O ATOM 270 CB VAL A 16 -1.314 21.969 4.343 1.00 0.00 C ATOM 271 CG1 VAL A 16 -0.222 22.059 3.268 1.00 0.00 C ATOM 272 CG2 VAL A 16 -2.291 23.129 4.116 1.00 0.00 C ATOM 0 HA VAL A 16 -2.528 20.478 3.397 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.854 22.051 5.328 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.246 23.043 3.306 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.531 21.292 3.449 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.666 21.906 2.284 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.743 24.071 4.111 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.796 22.998 3.159 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.030 23.144 4.917 1.00 0.00 H new ATOM 282 N GLU A 17 -0.572 18.870 3.429 1.00 0.00 N ATOM 283 CA GLU A 17 0.460 17.821 3.390 1.00 0.00 C ATOM 284 C GLU A 17 1.557 18.167 2.372 1.00 0.00 C ATOM 285 O GLU A 17 1.270 18.720 1.305 1.00 0.00 O ATOM 286 CB GLU A 17 -0.156 16.450 3.065 1.00 0.00 C ATOM 287 CG GLU A 17 -1.123 15.966 4.154 1.00 0.00 C ATOM 288 CD GLU A 17 -1.738 14.594 3.810 1.00 0.00 C ATOM 289 OE1 GLU A 17 -0.978 13.638 3.524 1.00 0.00 O ATOM 290 OE2 GLU A 17 -2.986 14.457 3.836 1.00 0.00 O1- ATOM 0 H GLU A 17 -0.913 19.124 2.502 1.00 0.00 H new ATOM 0 HA GLU A 17 0.913 17.767 4.380 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.685 16.510 2.114 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.642 15.718 2.940 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.594 15.899 5.105 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.920 16.699 4.284 1.00 0.00 H new ATOM 297 N ILE A 18 2.813 17.829 2.685 1.00 0.00 N ATOM 298 CA ILE A 18 3.987 18.079 1.834 1.00 0.00 C ATOM 299 C ILE A 18 4.808 16.788 1.697 1.00 0.00 C ATOM 300 O ILE A 18 5.357 16.296 2.682 1.00 0.00 O ATOM 301 CB ILE A 18 4.860 19.245 2.378 1.00 0.00 C ATOM 302 CG1 ILE A 18 4.066 20.529 2.725 1.00 0.00 C ATOM 303 CG2 ILE A 18 5.953 19.594 1.348 1.00 0.00 C ATOM 304 CD1 ILE A 18 3.653 20.600 4.201 1.00 0.00 C ATOM 0 H ILE A 18 3.050 17.361 3.560 1.00 0.00 H new ATOM 0 HA ILE A 18 3.637 18.385 0.848 1.00 0.00 H new ATOM 0 HB ILE A 18 5.290 18.885 3.313 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.672 21.401 2.481 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.173 20.577 2.101 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.565 20.411 1.730 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.582 18.721 1.174 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.486 19.897 0.411 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.100 21.522 4.380 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.021 19.746 4.444 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.544 20.583 4.829 1.00 0.00 H new ATOM 316 N GLY A 19 4.877 16.230 0.488 1.00 0.00 N ATOM 317 CA GLY A 19 5.637 15.009 0.187 1.00 0.00 C ATOM 318 C GLY A 19 7.085 15.270 -0.240 1.00 0.00 C ATOM 319 O GLY A 19 7.454 16.374 -0.642 1.00 0.00 O ATOM 0 H GLY A 19 4.399 16.618 -0.326 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.638 14.367 1.068 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.127 14.462 -0.606 1.00 0.00 H new ATOM 323 N ASP A 20 7.911 14.220 -0.191 1.00 0.00 N ATOM 324 CA ASP A 20 9.302 14.185 -0.683 1.00 0.00 C ATOM 325 C ASP A 20 10.206 15.291 -0.090 1.00 0.00 C ATOM 326 O ASP A 20 10.987 15.938 -0.795 1.00 0.00 O ATOM 327 CB ASP A 20 9.344 14.103 -2.221 1.00 0.00 C ATOM 328 CG ASP A 20 8.513 12.955 -2.825 1.00 0.00 C ATOM 329 OD1 ASP A 20 8.039 13.105 -3.978 1.00 0.00 O ATOM 330 OD2 ASP A 20 8.361 11.885 -2.185 1.00 0.00 O1- ATOM 0 H ASP A 20 7.620 13.328 0.210 1.00 0.00 H new ATOM 0 HA ASP A 20 9.746 13.264 -0.305 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.987 15.047 -2.632 1.00 0.00 H new ATOM 0 HB3 ASP A 20 10.381 13.989 -2.537 1.00 0.00 H new ATOM 335 N VAL A 21 10.073 15.546 1.215 1.00 0.00 N ATOM 336 CA VAL A 21 10.843 16.579 1.924 1.00 0.00 C ATOM 337 C VAL A 21 12.306 16.153 2.137 1.00 0.00 C ATOM 338 O VAL A 21 12.587 15.013 2.504 1.00 0.00 O ATOM 339 CB VAL A 21 10.161 17.026 3.232 1.00 0.00 C ATOM 340 CG1 VAL A 21 8.713 17.471 2.975 1.00 0.00 C ATOM 341 CG2 VAL A 21 10.138 15.986 4.355 1.00 0.00 C ATOM 0 H VAL A 21 9.424 15.039 1.816 1.00 0.00 H new ATOM 0 HA VAL A 21 10.862 17.458 1.280 1.00 0.00 H new ATOM 0 HB VAL A 21 10.786 17.851 3.574 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.255 17.781 3.914 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.708 18.307 2.276 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.147 16.641 2.552 1.00 0.00 H new ATOM 0 HG21 VAL A 21 9.636 16.404 5.228 1.00 0.00 H new ATOM 0 HG22 VAL A 21 9.602 15.099 4.018 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.160 15.714 4.620 1.00 0.00 H new ATOM 351 N LEU A 22 13.242 17.076 1.901 1.00 0.00 N ATOM 352 CA LEU A 22 14.671 16.916 2.178 1.00 0.00 C ATOM 353 C LEU A 22 15.043 17.406 3.585 1.00 0.00 C ATOM 354 O LEU A 22 15.981 16.887 4.187 1.00 0.00 O ATOM 355 CB LEU A 22 15.484 17.676 1.117 1.00 0.00 C ATOM 356 CG LEU A 22 15.362 17.128 -0.317 1.00 0.00 C ATOM 357 CD1 LEU A 22 16.199 17.993 -1.261 1.00 0.00 C ATOM 358 CD2 LEU A 22 15.848 15.681 -0.440 1.00 0.00 C ATOM 0 H LEU A 22 13.018 17.986 1.498 1.00 0.00 H new ATOM 0 HA LEU A 22 14.907 15.853 2.135 1.00 0.00 H new ATOM 0 HB2 LEU A 22 15.168 18.719 1.119 1.00 0.00 H new ATOM 0 HB3 LEU A 22 16.535 17.660 1.407 1.00 0.00 H new ATOM 0 HG LEU A 22 14.304 17.154 -0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 22 16.115 17.608 -2.277 1.00 0.00 H new ATOM 0 HD12 LEU A 22 15.836 19.020 -1.231 1.00 0.00 H new ATOM 0 HD13 LEU A 22 17.243 17.968 -0.948 1.00 0.00 H new ATOM 0 HD21 LEU A 22 15.739 15.347 -1.472 1.00 0.00 H new ATOM 0 HD22 LEU A 22 16.897 15.623 -0.149 1.00 0.00 H new ATOM 0 HD23 LEU A 22 15.255 15.041 0.213 1.00 0.00 H new ATOM 370 N GLU A 23 14.304 18.379 4.131 1.00 0.00 N ATOM 371 CA GLU A 23 14.526 18.915 5.476 1.00 0.00 C ATOM 372 C GLU A 23 13.277 19.605 6.050 1.00 0.00 C ATOM 373 O GLU A 23 12.486 20.187 5.305 1.00 0.00 O ATOM 374 CB GLU A 23 15.729 19.870 5.449 1.00 0.00 C ATOM 375 CG GLU A 23 16.082 20.426 6.833 1.00 0.00 C ATOM 376 CD GLU A 23 17.447 21.105 6.897 1.00 0.00 C ATOM 377 OE1 GLU A 23 18.026 21.499 5.859 1.00 0.00 O ATOM 378 OE2 GLU A 23 17.947 21.318 8.020 1.00 0.00 O1- ATOM 0 H GLU A 23 13.525 18.821 3.643 1.00 0.00 H new ATOM 0 HA GLU A 23 14.740 18.080 6.143 1.00 0.00 H new ATOM 0 HB2 GLU A 23 16.594 19.345 5.043 1.00 0.00 H new ATOM 0 HB3 GLU A 23 15.513 20.699 4.775 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.317 21.142 7.132 1.00 0.00 H new ATOM 0 HG3 GLU A 23 16.058 19.612 7.558 1.00 0.00 H new ATOM 385 N VAL A 24 13.136 19.582 7.380 1.00 0.00 N ATOM 386 CA VAL A 24 12.134 20.323 8.173 1.00 0.00 C ATOM 387 C VAL A 24 12.816 20.972 9.385 1.00 0.00 C ATOM 388 O VAL A 24 13.651 20.328 10.028 1.00 0.00 O ATOM 389 CB VAL A 24 10.980 19.405 8.626 1.00 0.00 C ATOM 390 CG1 VAL A 24 9.824 20.181 9.263 1.00 0.00 C ATOM 391 CG2 VAL A 24 10.430 18.519 7.501 1.00 0.00 C ATOM 0 H VAL A 24 13.748 19.017 7.969 1.00 0.00 H new ATOM 0 HA VAL A 24 11.702 21.100 7.543 1.00 0.00 H new ATOM 0 HB VAL A 24 11.431 18.759 9.379 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.040 19.485 9.563 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.186 20.719 10.139 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.422 20.892 8.541 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.621 17.899 7.888 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.051 19.148 6.695 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.226 17.880 7.119 1.00 0.00 H new ATOM 401 N ARG A 25 12.478 22.223 9.725 1.00 0.00 N ATOM 402 CA ARG A 25 13.059 22.992 10.854 1.00 0.00 C ATOM 403 C ARG A 25 11.986 23.754 11.631 1.00 0.00 C ATOM 404 O ARG A 25 11.147 24.409 11.018 1.00 0.00 O ATOM 405 CB ARG A 25 14.104 24.017 10.355 1.00 0.00 C ATOM 406 CG ARG A 25 15.256 23.436 9.519 1.00 0.00 C ATOM 407 CD ARG A 25 16.260 24.542 9.163 1.00 0.00 C ATOM 408 NE ARG A 25 17.292 24.035 8.242 1.00 0.00 N ATOM 409 CZ ARG A 25 18.082 24.738 7.455 1.00 0.00 C ATOM 410 NH1 ARG A 25 18.144 26.036 7.512 1.00 0.00 N1+ ATOM 411 NH2 ARG A 25 18.821 24.134 6.569 1.00 0.00 N ATOM 0 H ARG A 25 11.772 22.751 9.212 1.00 0.00 H new ATOM 0 HA ARG A 25 13.534 22.260 11.508 1.00 0.00 H new ATOM 0 HB2 ARG A 25 13.591 24.772 9.759 1.00 0.00 H new ATOM 0 HB3 ARG A 25 14.528 24.528 11.220 1.00 0.00 H new ATOM 0 HG2 ARG A 25 15.757 22.645 10.077 1.00 0.00 H new ATOM 0 HG3 ARG A 25 14.863 22.984 8.608 1.00 0.00 H new ATOM 0 HD2 ARG A 25 15.737 25.381 8.704 1.00 0.00 H new ATOM 0 HD3 ARG A 25 16.730 24.919 10.071 1.00 0.00 H new ATOM 0 HE ARG A 25 17.409 23.022 8.210 1.00 0.00 H new ATOM 0 HH11 ARG A 25 17.569 26.545 8.183 1.00 0.00 H new ATOM 0 HH12 ARG A 25 18.768 26.545 6.886 1.00 0.00 H new ATOM 0 HH21 ARG A 25 18.788 23.118 6.485 1.00 0.00 H new ATOM 0 HH22 ARG A 25 19.433 24.677 5.959 1.00 0.00 H new ATOM 425 N ALA A 26 12.050 23.741 12.961 1.00 0.00 N ATOM 426 CA ALA A 26 11.300 24.662 13.819 1.00 0.00 C ATOM 427 C ALA A 26 12.172 25.900 14.114 1.00 0.00 C ATOM 428 O ALA A 26 13.274 25.773 14.658 1.00 0.00 O ATOM 429 CB ALA A 26 10.887 23.914 15.092 1.00 0.00 C ATOM 0 H ALA A 26 12.631 23.083 13.481 1.00 0.00 H new ATOM 0 HA ALA A 26 10.392 25.015 13.329 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.327 24.585 15.743 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.262 23.061 14.826 1.00 0.00 H new ATOM 0 HB3 ALA A 26 11.778 23.563 15.613 1.00 0.00 H new ATOM 464 N ALA A 30 7.747 29.490 13.821 1.00 0.00 N ATOM 465 CA ALA A 30 7.223 28.866 12.608 1.00 0.00 C ATOM 466 C ALA A 30 7.896 27.505 12.339 1.00 0.00 C ATOM 467 O ALA A 30 8.941 27.185 12.906 1.00 0.00 O ATOM 468 CB ALA A 30 7.457 29.831 11.437 1.00 0.00 C ATOM 0 HA ALA A 30 6.157 28.672 12.728 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.074 29.388 10.518 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.939 30.770 11.630 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.525 30.021 11.330 1.00 0.00 H new ATOM 474 N VAL A 31 7.329 26.723 11.417 1.00 0.00 N ATOM 475 CA VAL A 31 8.021 25.575 10.795 1.00 0.00 C ATOM 476 C VAL A 31 8.355 25.874 9.332 1.00 0.00 C ATOM 477 O VAL A 31 7.476 26.259 8.559 1.00 0.00 O ATOM 478 CB VAL A 31 7.244 24.256 10.960 1.00 0.00 C ATOM 479 CG1 VAL A 31 7.910 23.091 10.211 1.00 0.00 C ATOM 480 CG2 VAL A 31 7.179 23.861 12.439 1.00 0.00 C ATOM 0 H VAL A 31 6.378 26.862 11.076 1.00 0.00 H new ATOM 0 HA VAL A 31 8.961 25.431 11.328 1.00 0.00 H new ATOM 0 HB VAL A 31 6.250 24.433 10.549 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.325 22.183 10.357 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.959 23.323 9.147 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.918 22.940 10.596 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.627 22.927 12.542 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.190 23.730 12.825 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.674 24.645 13.003 1.00 0.00 H new ATOM 490 N ARG A 32 9.623 25.677 8.959 1.00 0.00 N ATOM 491 CA ARG A 32 10.124 25.673 7.575 1.00 0.00 C ATOM 492 C ARG A 32 10.285 24.237 7.072 1.00 0.00 C ATOM 493 O ARG A 32 10.636 23.354 7.850 1.00 0.00 O ATOM 494 CB ARG A 32 11.471 26.405 7.501 1.00 0.00 C ATOM 495 CG ARG A 32 11.373 27.906 7.818 1.00 0.00 C ATOM 496 CD ARG A 32 12.760 28.545 7.955 1.00 0.00 C ATOM 497 NE ARG A 32 13.535 28.507 6.699 1.00 0.00 N ATOM 498 CZ ARG A 32 14.793 28.864 6.532 1.00 0.00 C ATOM 499 NH1 ARG A 32 15.559 29.271 7.505 1.00 0.00 N1+ ATOM 500 NH2 ARG A 32 15.305 28.807 5.341 1.00 0.00 N ATOM 0 H ARG A 32 10.363 25.508 9.640 1.00 0.00 H new ATOM 0 HA ARG A 32 9.402 26.189 6.942 1.00 0.00 H new ATOM 0 HB2 ARG A 32 12.167 25.939 8.199 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.889 26.279 6.502 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.816 28.410 7.028 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.813 28.048 8.743 1.00 0.00 H new ATOM 0 HD2 ARG A 32 12.648 29.581 8.276 1.00 0.00 H new ATOM 0 HD3 ARG A 32 13.317 28.028 8.736 1.00 0.00 H new ATOM 0 HE ARG A 32 13.044 28.168 5.871 1.00 0.00 H new ATOM 0 HH11 ARG A 32 15.191 29.326 8.455 1.00 0.00 H new ATOM 0 HH12 ARG A 32 16.526 29.535 7.317 1.00 0.00 H new ATOM 0 HH21 ARG A 32 14.736 28.491 4.556 1.00 0.00 H new ATOM 0 HH22 ARG A 32 16.276 29.079 5.190 1.00 0.00 H new ATOM 514 N VAL A 33 10.069 23.998 5.782 1.00 0.00 N ATOM 515 CA VAL A 33 10.282 22.679 5.150 1.00 0.00 C ATOM 516 C VAL A 33 10.623 22.812 3.666 1.00 0.00 C ATOM 517 O VAL A 33 10.017 23.613 2.956 1.00 0.00 O ATOM 518 CB VAL A 33 9.114 21.696 5.438 1.00 0.00 C ATOM 519 CG1 VAL A 33 7.743 22.343 5.665 1.00 0.00 C ATOM 520 CG2 VAL A 33 8.944 20.594 4.385 1.00 0.00 C ATOM 0 H VAL A 33 9.739 24.712 5.133 1.00 0.00 H new ATOM 0 HA VAL A 33 11.158 22.228 5.616 1.00 0.00 H new ATOM 0 HB VAL A 33 9.444 21.258 6.380 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.002 21.567 5.857 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.795 23.015 6.522 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.456 22.907 4.778 1.00 0.00 H new ATOM 0 HG21 VAL A 33 8.108 19.952 4.662 1.00 0.00 H new ATOM 0 HG22 VAL A 33 8.748 21.047 3.413 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.856 19.999 4.331 1.00 0.00 H new ATOM 530 N THR A 34 11.578 22.003 3.197 1.00 0.00 N ATOM 531 CA THR A 34 12.180 22.092 1.850 1.00 0.00 C ATOM 532 C THR A 34 12.088 20.748 1.120 1.00 0.00 C ATOM 533 O THR A 34 12.205 19.691 1.745 1.00 0.00 O ATOM 534 CB THR A 34 13.650 22.539 1.941 1.00 0.00 C ATOM 535 OG1 THR A 34 13.823 23.605 2.851 1.00 0.00 O ATOM 536 CG2 THR A 34 14.194 23.025 0.597 1.00 0.00 C ATOM 0 H THR A 34 11.969 21.244 3.755 1.00 0.00 H new ATOM 0 HA THR A 34 11.620 22.835 1.283 1.00 0.00 H new ATOM 0 HB THR A 34 14.190 21.653 2.274 1.00 0.00 H new ATOM 0 HG1 THR A 34 14.769 23.859 2.882 1.00 0.00 H new ATOM 0 HG21 THR A 34 15.234 23.329 0.714 1.00 0.00 H new ATOM 0 HG22 THR A 34 14.132 22.219 -0.134 1.00 0.00 H new ATOM 0 HG23 THR A 34 13.604 23.874 0.251 1.00 0.00 H new ATOM 544 N THR A 35 11.906 20.766 -0.203 1.00 0.00 N ATOM 545 CA THR A 35 11.642 19.571 -1.045 1.00 0.00 C ATOM 546 C THR A 35 12.673 19.379 -2.162 1.00 0.00 C ATOM 547 O THR A 35 13.404 20.304 -2.515 1.00 0.00 O ATOM 548 CB THR A 35 10.238 19.644 -1.673 1.00 0.00 C ATOM 549 OG1 THR A 35 10.183 20.699 -2.607 1.00 0.00 O ATOM 550 CG2 THR A 35 9.107 19.853 -0.665 1.00 0.00 C ATOM 0 H THR A 35 11.937 21.630 -0.744 1.00 0.00 H new ATOM 0 HA THR A 35 11.714 18.715 -0.374 1.00 0.00 H new ATOM 0 HB THR A 35 10.083 18.672 -2.142 1.00 0.00 H new ATOM 0 HG1 THR A 35 10.461 21.533 -2.175 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.153 19.893 -1.191 1.00 0.00 H new ATOM 0 HG22 THR A 35 9.095 19.026 0.045 1.00 0.00 H new ATOM 0 HG23 THR A 35 9.265 20.789 -0.130 1.00 0.00 H new ATOM 558 N LEU A 36 12.702 18.182 -2.769 1.00 0.00 N ATOM 559 CA LEU A 36 13.504 17.904 -3.972 1.00 0.00 C ATOM 560 C LEU A 36 13.013 18.614 -5.256 1.00 0.00 C ATOM 561 O LEU A 36 13.686 18.551 -6.285 1.00 0.00 O ATOM 562 CB LEU A 36 13.716 16.390 -4.169 1.00 0.00 C ATOM 563 CG LEU A 36 12.479 15.467 -4.196 1.00 0.00 C ATOM 564 CD1 LEU A 36 11.320 15.948 -5.068 1.00 0.00 C ATOM 565 CD2 LEU A 36 12.895 14.099 -4.729 1.00 0.00 C ATOM 0 H LEU A 36 12.169 17.378 -2.439 1.00 0.00 H new ATOM 0 HA LEU A 36 14.479 18.354 -3.783 1.00 0.00 H new ATOM 0 HB2 LEU A 36 14.253 16.251 -5.107 1.00 0.00 H new ATOM 0 HB3 LEU A 36 14.372 16.041 -3.371 1.00 0.00 H new ATOM 0 HG LEU A 36 12.119 15.448 -3.167 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.503 15.228 -5.017 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.973 16.917 -4.710 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.656 16.042 -6.101 1.00 0.00 H new ATOM 0 HD21 LEU A 36 12.028 13.439 -4.752 1.00 0.00 H new ATOM 0 HD22 LEU A 36 13.296 14.208 -5.737 1.00 0.00 H new ATOM 0 HD23 LEU A 36 13.659 13.672 -4.079 1.00 0.00 H new ATOM 577 N PHE A 37 11.873 19.318 -5.209 1.00 0.00 N ATOM 578 CA PHE A 37 11.388 20.193 -6.288 1.00 0.00 C ATOM 579 C PHE A 37 12.089 21.570 -6.305 1.00 0.00 C ATOM 580 O PHE A 37 11.712 22.455 -7.076 1.00 0.00 O ATOM 581 CB PHE A 37 9.855 20.341 -6.184 1.00 0.00 C ATOM 582 CG PHE A 37 9.095 19.030 -6.057 1.00 0.00 C ATOM 583 CD1 PHE A 37 8.402 18.715 -4.870 1.00 0.00 C ATOM 584 CD2 PHE A 37 9.107 18.102 -7.117 1.00 0.00 C ATOM 585 CE1 PHE A 37 7.740 17.483 -4.740 1.00 0.00 C ATOM 586 CE2 PHE A 37 8.438 16.871 -6.992 1.00 0.00 C ATOM 587 CZ PHE A 37 7.751 16.559 -5.802 1.00 0.00 C ATOM 0 H PHE A 37 11.248 19.295 -4.403 1.00 0.00 H new ATOM 0 HA PHE A 37 11.640 19.721 -7.238 1.00 0.00 H new ATOM 0 HB2 PHE A 37 9.622 20.965 -5.321 1.00 0.00 H new ATOM 0 HB3 PHE A 37 9.494 20.870 -7.066 1.00 0.00 H new ATOM 0 HD1 PHE A 37 8.380 19.425 -4.056 1.00 0.00 H new ATOM 0 HD2 PHE A 37 9.633 18.337 -8.031 1.00 0.00 H new ATOM 0 HE1 PHE A 37 7.221 17.244 -3.823 1.00 0.00 H new ATOM 0 HE2 PHE A 37 8.451 16.164 -7.809 1.00 0.00 H new ATOM 0 HZ PHE A 37 7.235 15.615 -5.705 1.00 0.00 H new ATOM 597 N ASP A 38 13.087 21.771 -5.432 1.00 0.00 N ATOM 598 CA ASP A 38 13.722 23.057 -5.099 1.00 0.00 C ATOM 599 C ASP A 38 12.751 24.101 -4.498 1.00 0.00 C ATOM 600 O ASP A 38 13.074 25.288 -4.400 1.00 0.00 O ATOM 601 CB ASP A 38 14.574 23.604 -6.262 1.00 0.00 C ATOM 602 CG ASP A 38 15.617 22.611 -6.810 1.00 0.00 C ATOM 603 OD1 ASP A 38 16.157 21.779 -6.041 1.00 0.00 O ATOM 604 OD2 ASP A 38 15.942 22.707 -8.018 1.00 0.00 O1- ATOM 0 H ASP A 38 13.497 20.997 -4.909 1.00 0.00 H new ATOM 0 HA ASP A 38 14.417 22.843 -4.287 1.00 0.00 H new ATOM 0 HB2 ASP A 38 13.910 23.900 -7.074 1.00 0.00 H new ATOM 0 HB3 ASP A 38 15.089 24.504 -5.927 1.00 0.00 H new ATOM 609 N GLU A 39 11.555 23.672 -4.077 1.00 0.00 N ATOM 610 CA GLU A 39 10.557 24.503 -3.393 1.00 0.00 C ATOM 611 C GLU A 39 10.758 24.480 -1.868 1.00 0.00 C ATOM 612 O GLU A 39 11.131 23.453 -1.293 1.00 0.00 O ATOM 613 CB GLU A 39 9.144 24.043 -3.805 1.00 0.00 C ATOM 614 CG GLU A 39 7.981 24.888 -3.252 1.00 0.00 C ATOM 615 CD GLU A 39 8.007 26.348 -3.743 1.00 0.00 C ATOM 616 OE1 GLU A 39 7.170 26.725 -4.602 1.00 0.00 O ATOM 617 OE2 GLU A 39 8.867 27.131 -3.268 1.00 0.00 O1- ATOM 0 H GLU A 39 11.246 22.709 -4.207 1.00 0.00 H new ATOM 0 HA GLU A 39 10.682 25.542 -3.698 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.084 24.043 -4.893 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.008 23.012 -3.479 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.036 24.430 -3.544 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.018 24.877 -2.163 1.00 0.00 H new ATOM 624 N GLU A 40 10.469 25.600 -1.209 1.00 0.00 N ATOM 625 CA GLU A 40 10.511 25.750 0.250 1.00 0.00 C ATOM 626 C GLU A 40 9.229 26.428 0.771 1.00 0.00 C ATOM 627 O GLU A 40 8.792 27.458 0.249 1.00 0.00 O ATOM 628 CB GLU A 40 11.781 26.508 0.677 1.00 0.00 C ATOM 629 CG GLU A 40 11.934 26.566 2.212 1.00 0.00 C ATOM 630 CD GLU A 40 13.156 27.374 2.694 1.00 0.00 C ATOM 631 OE1 GLU A 40 14.109 27.629 1.920 1.00 0.00 O ATOM 632 OE2 GLU A 40 13.174 27.770 3.888 1.00 0.00 O1- ATOM 0 H GLU A 40 10.190 26.457 -1.687 1.00 0.00 H new ATOM 0 HA GLU A 40 10.553 24.759 0.702 1.00 0.00 H new ATOM 0 HB2 GLU A 40 12.655 26.022 0.244 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.749 27.522 0.278 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.032 27.003 2.640 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.010 25.549 2.597 1.00 0.00 H new ATOM 639 N HIS A 41 8.642 25.846 1.819 1.00 0.00 N ATOM 640 CA HIS A 41 7.411 26.288 2.479 1.00 0.00 C ATOM 641 C HIS A 41 7.695 26.809 3.899 1.00 0.00 C ATOM 642 O HIS A 41 8.660 26.382 4.542 1.00 0.00 O ATOM 643 CB HIS A 41 6.405 25.132 2.525 1.00 0.00 C ATOM 644 CG HIS A 41 6.193 24.412 1.209 1.00 0.00 C ATOM 645 ND1 HIS A 41 5.375 24.847 0.162 1.00 0.00 N ATOM 646 CD2 HIS A 41 6.803 23.246 0.848 1.00 0.00 C ATOM 647 CE1 HIS A 41 5.502 23.916 -0.805 1.00 0.00 C ATOM 648 NE2 HIS A 41 6.359 22.950 -0.421 1.00 0.00 N ATOM 0 H HIS A 41 9.033 25.010 2.253 1.00 0.00 H new ATOM 0 HA HIS A 41 6.988 27.111 1.903 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.741 24.408 3.267 1.00 0.00 H new ATOM 0 HB3 HIS A 41 5.446 25.519 2.868 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.497 22.669 1.441 1.00 0.00 H new ATOM 0 HE1 HIS A 41 4.988 23.941 -1.755 1.00 0.00 H new ATOM 0 HE2 HIS A 41 6.632 22.139 -0.975 1.00 0.00 H new ATOM 656 N ALA A 42 6.830 27.694 4.400 1.00 0.00 N ATOM 657 CA ALA A 42 6.857 28.202 5.772 1.00 0.00 C ATOM 658 C ALA A 42 5.443 28.297 6.366 1.00 0.00 C ATOM 659 O ALA A 42 4.508 28.760 5.711 1.00 0.00 O ATOM 660 CB ALA A 42 7.570 29.558 5.805 1.00 0.00 C ATOM 0 H ALA A 42 6.070 28.088 3.846 1.00 0.00 H new ATOM 0 HA ALA A 42 7.412 27.499 6.393 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.589 29.934 6.828 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.591 29.441 5.442 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.038 30.265 5.168 1.00 0.00 H new ATOM 666 N PHE A 43 5.298 27.864 7.621 1.00 0.00 N ATOM 667 CA PHE A 43 4.026 27.739 8.333 1.00 0.00 C ATOM 668 C PHE A 43 4.133 28.372 9.731 1.00 0.00 C ATOM 669 O PHE A 43 4.587 27.710 10.675 1.00 0.00 O ATOM 670 CB PHE A 43 3.620 26.259 8.373 1.00 0.00 C ATOM 671 CG PHE A 43 3.493 25.611 7.006 1.00 0.00 C ATOM 672 CD1 PHE A 43 2.384 25.911 6.192 1.00 0.00 C ATOM 673 CD2 PHE A 43 4.482 24.721 6.544 1.00 0.00 C ATOM 674 CE1 PHE A 43 2.265 25.331 4.916 1.00 0.00 C ATOM 675 CE2 PHE A 43 4.357 24.129 5.272 1.00 0.00 C ATOM 676 CZ PHE A 43 3.254 24.440 4.455 1.00 0.00 C ATOM 0 H PHE A 43 6.095 27.580 8.190 1.00 0.00 H new ATOM 0 HA PHE A 43 3.240 28.284 7.810 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.357 25.707 8.957 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.667 26.169 8.895 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.622 26.589 6.548 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.336 24.493 7.165 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.417 25.568 4.291 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.108 23.436 4.923 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.166 23.996 3.475 1.00 0.00 H new ATOM 686 N PRO A 44 3.779 29.663 9.890 1.00 0.00 N ATOM 687 CA PRO A 44 3.857 30.363 11.169 1.00 0.00 C ATOM 688 C PRO A 44 2.828 29.852 12.195 1.00 0.00 C ATOM 689 O PRO A 44 1.718 29.436 11.848 1.00 0.00 O ATOM 690 CB PRO A 44 3.693 31.852 10.847 1.00 0.00 C ATOM 691 CG PRO A 44 2.883 31.854 9.550 1.00 0.00 C ATOM 692 CD PRO A 44 3.334 30.574 8.846 1.00 0.00 C ATOM 0 HA PRO A 44 4.815 30.177 11.655 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.172 32.380 11.646 1.00 0.00 H new ATOM 0 HB3 PRO A 44 4.658 32.343 10.718 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.811 31.848 9.746 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.092 32.738 8.948 1.00 0.00 H new ATOM 0 HD2 PRO A 44 2.516 30.137 8.273 1.00 0.00 H new ATOM 0 HD3 PRO A 44 4.140 30.782 8.143 1.00 0.00 H new ATOM 700 N GLY A 45 3.216 29.886 13.470 1.00 0.00 N ATOM 701 CA GLY A 45 2.412 29.423 14.608 1.00 0.00 C ATOM 702 C GLY A 45 2.504 27.921 14.887 1.00 0.00 C ATOM 703 O GLY A 45 1.763 27.411 15.731 1.00 0.00 O ATOM 0 H GLY A 45 4.127 30.248 13.751 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.725 29.964 15.501 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.369 29.682 14.428 1.00 0.00 H new ATOM 707 N LEU A 46 3.387 27.198 14.192 1.00 0.00 N ATOM 708 CA LEU A 46 3.621 25.754 14.359 1.00 0.00 C ATOM 709 C LEU A 46 4.971 25.434 15.025 1.00 0.00 C ATOM 710 O LEU A 46 5.901 26.246 15.018 1.00 0.00 O ATOM 711 CB LEU A 46 3.510 25.029 13.004 1.00 0.00 C ATOM 712 CG LEU A 46 2.193 25.206 12.233 1.00 0.00 C ATOM 713 CD1 LEU A 46 2.199 24.259 11.034 1.00 0.00 C ATOM 714 CD2 LEU A 46 0.960 24.853 13.060 1.00 0.00 C ATOM 0 H LEU A 46 3.980 27.612 13.473 1.00 0.00 H new ATOM 0 HA LEU A 46 2.844 25.391 15.032 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.326 25.371 12.367 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.664 23.963 13.174 1.00 0.00 H new ATOM 0 HG LEU A 46 2.135 26.257 11.951 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.270 24.373 10.476 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.043 24.497 10.386 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.289 23.230 11.383 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.064 25.000 12.457 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.019 23.811 13.375 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.915 25.496 13.939 1.00 0.00 H new ATOM 726 N ALA A 47 5.085 24.197 15.513 1.00 0.00 N ATOM 727 CA ALA A 47 6.317 23.504 15.903 1.00 0.00 C ATOM 728 C ALA A 47 6.259 22.019 15.466 1.00 0.00 C ATOM 729 O ALA A 47 5.174 21.477 15.238 1.00 0.00 O ATOM 730 CB ALA A 47 6.513 23.658 17.415 1.00 0.00 C ATOM 0 H ALA A 47 4.262 23.612 15.656 1.00 0.00 H new ATOM 0 HA ALA A 47 7.177 23.946 15.400 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.427 23.146 17.717 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.589 24.716 17.666 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.662 23.221 17.938 1.00 0.00 H new ATOM 736 N ILE A 48 7.412 21.345 15.376 1.00 0.00 N ATOM 737 CA ILE A 48 7.486 19.898 15.094 1.00 0.00 C ATOM 738 C ILE A 48 7.028 19.116 16.334 1.00 0.00 C ATOM 739 O ILE A 48 7.658 19.199 17.392 1.00 0.00 O ATOM 740 CB ILE A 48 8.905 19.480 14.637 1.00 0.00 C ATOM 741 CG1 ILE A 48 9.369 20.241 13.369 1.00 0.00 C ATOM 742 CG2 ILE A 48 8.935 17.959 14.373 1.00 0.00 C ATOM 743 CD1 ILE A 48 10.888 20.191 13.149 1.00 0.00 C ATOM 0 H ILE A 48 8.324 21.785 15.496 1.00 0.00 H new ATOM 0 HA ILE A 48 6.817 19.661 14.266 1.00 0.00 H new ATOM 0 HB ILE A 48 9.596 19.739 15.439 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.869 19.818 12.497 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.054 21.282 13.443 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.934 17.665 14.051 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.677 17.426 15.288 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.215 17.711 13.593 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.143 20.743 12.245 1.00 0.00 H new ATOM 0 HD12 ILE A 48 11.394 20.640 14.003 1.00 0.00 H new ATOM 0 HD13 ILE A 48 11.206 19.154 13.043 1.00 0.00 H new ATOM 755 N GLY A 49 5.925 18.363 16.223 1.00 0.00 N ATOM 756 CA GLY A 49 5.311 17.637 17.343 1.00 0.00 C ATOM 757 C GLY A 49 5.699 16.158 17.428 1.00 0.00 C ATOM 758 O GLY A 49 5.899 15.639 18.531 1.00 0.00 O ATOM 0 H GLY A 49 5.428 18.239 15.341 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.591 18.128 18.275 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.227 17.711 17.257 1.00 0.00 H new ATOM 762 N ARG A 50 5.820 15.474 16.282 1.00 0.00 N ATOM 763 CA ARG A 50 6.061 14.023 16.203 1.00 0.00 C ATOM 764 C ARG A 50 6.782 13.639 14.910 1.00 0.00 C ATOM 765 O ARG A 50 6.512 14.215 13.855 1.00 0.00 O ATOM 766 CB ARG A 50 4.701 13.307 16.306 1.00 0.00 C ATOM 767 CG ARG A 50 4.769 11.779 16.478 1.00 0.00 C ATOM 768 CD ARG A 50 3.346 11.209 16.524 1.00 0.00 C ATOM 769 NE ARG A 50 3.357 9.774 16.845 1.00 0.00 N ATOM 770 CZ ARG A 50 2.392 8.894 16.672 1.00 0.00 C ATOM 771 NH1 ARG A 50 1.240 9.189 16.133 1.00 0.00 N1+ ATOM 772 NH2 ARG A 50 2.584 7.672 17.067 1.00 0.00 N ATOM 0 H ARG A 50 5.752 15.919 15.367 1.00 0.00 H new ATOM 0 HA ARG A 50 6.711 13.719 17.023 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.152 13.726 17.149 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.124 13.529 15.408 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.325 11.333 15.653 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.303 11.528 17.395 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.760 11.746 17.270 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.858 11.365 15.562 1.00 0.00 H new ATOM 0 HE ARG A 50 4.220 9.415 17.253 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.052 10.142 15.821 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.528 8.467 16.023 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.469 7.410 17.502 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.850 6.975 16.943 1.00 0.00 H new ATOM 786 N VAL A 51 7.645 12.626 14.984 1.00 0.00 N ATOM 787 CA VAL A 51 8.355 12.026 13.848 1.00 0.00 C ATOM 788 C VAL A 51 8.260 10.503 13.976 1.00 0.00 C ATOM 789 O VAL A 51 8.819 9.925 14.908 1.00 0.00 O ATOM 790 CB VAL A 51 9.821 12.504 13.785 1.00 0.00 C ATOM 791 CG1 VAL A 51 10.523 11.963 12.537 1.00 0.00 C ATOM 792 CG2 VAL A 51 9.955 14.031 13.794 1.00 0.00 C ATOM 0 H VAL A 51 7.880 12.181 15.871 1.00 0.00 H new ATOM 0 HA VAL A 51 7.892 12.342 12.913 1.00 0.00 H new ATOM 0 HB VAL A 51 10.294 12.114 14.686 1.00 0.00 H new ATOM 0 HG11 VAL A 51 11.554 12.315 12.518 1.00 0.00 H new ATOM 0 HG12 VAL A 51 10.512 10.873 12.557 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.003 12.315 11.646 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.009 14.304 13.748 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.434 14.447 12.931 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.517 14.429 14.709 1.00 0.00 H new ATOM 802 N ASP A 52 7.532 9.846 13.072 1.00 0.00 N ATOM 803 CA ASP A 52 7.250 8.406 13.087 1.00 0.00 C ATOM 804 C ASP A 52 7.984 7.691 11.939 1.00 0.00 C ATOM 805 O ASP A 52 7.472 7.583 10.820 1.00 0.00 O ATOM 806 CB ASP A 52 5.724 8.201 13.039 1.00 0.00 C ATOM 807 CG ASP A 52 5.297 6.727 13.129 1.00 0.00 C ATOM 808 OD1 ASP A 52 6.126 5.853 13.475 1.00 0.00 O ATOM 809 OD2 ASP A 52 4.100 6.443 12.884 1.00 0.00 O1- ATOM 0 H ASP A 52 7.104 10.320 12.276 1.00 0.00 H new ATOM 0 HA ASP A 52 7.626 7.958 14.007 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.266 8.754 13.859 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.338 8.626 12.113 1.00 0.00 H new ATOM 814 N LEU A 53 9.201 7.207 12.208 1.00 0.00 N ATOM 815 CA LEU A 53 10.114 6.620 11.219 1.00 0.00 C ATOM 816 C LEU A 53 9.641 5.258 10.681 1.00 0.00 C ATOM 817 O LEU A 53 10.160 4.790 9.666 1.00 0.00 O ATOM 818 CB LEU A 53 11.545 6.502 11.795 1.00 0.00 C ATOM 819 CG LEU A 53 12.279 7.790 12.222 1.00 0.00 C ATOM 820 CD1 LEU A 53 12.189 8.885 11.161 1.00 0.00 C ATOM 821 CD2 LEU A 53 11.827 8.359 13.572 1.00 0.00 C ATOM 0 H LEU A 53 9.591 7.213 13.150 1.00 0.00 H new ATOM 0 HA LEU A 53 10.119 7.304 10.371 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.499 5.844 12.663 1.00 0.00 H new ATOM 0 HB3 LEU A 53 12.162 6.002 11.048 1.00 0.00 H new ATOM 0 HG LEU A 53 13.316 7.474 12.336 1.00 0.00 H new ATOM 0 HD11 LEU A 53 12.720 9.772 11.507 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.639 8.531 10.234 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.143 9.135 10.984 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.394 9.263 13.794 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.765 8.599 13.528 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.001 7.620 14.355 1.00 0.00 H new ATOM 833 N ARG A 54 8.632 4.637 11.311 1.00 0.00 N ATOM 834 CA ARG A 54 7.955 3.424 10.817 1.00 0.00 C ATOM 835 C ARG A 54 7.261 3.655 9.461 1.00 0.00 C ATOM 836 O ARG A 54 7.161 2.722 8.664 1.00 0.00 O ATOM 837 CB ARG A 54 6.918 2.935 11.841 1.00 0.00 C ATOM 838 CG ARG A 54 7.481 2.733 13.260 1.00 0.00 C ATOM 839 CD ARG A 54 6.360 2.235 14.183 1.00 0.00 C ATOM 840 NE ARG A 54 6.706 2.358 15.610 1.00 0.00 N ATOM 841 CZ ARG A 54 6.450 3.402 16.374 1.00 0.00 C ATOM 842 NH1 ARG A 54 5.980 4.526 15.933 1.00 0.00 N1+ ATOM 843 NH2 ARG A 54 6.648 3.366 17.656 1.00 0.00 N ATOM 0 H ARG A 54 8.254 4.970 12.198 1.00 0.00 H new ATOM 0 HA ARG A 54 8.726 2.666 10.677 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.100 3.654 11.885 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.495 1.993 11.492 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.299 2.013 13.240 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.890 3.670 13.638 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.451 2.802 13.983 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.142 1.192 13.954 1.00 0.00 H new ATOM 0 HE ARG A 54 7.184 1.568 16.044 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.785 4.642 14.939 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.805 5.295 16.580 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.009 2.518 18.093 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.443 4.186 18.227 1.00 0.00 H new ATOM 857 N SER A 55 6.815 4.890 9.210 1.00 0.00 N ATOM 858 CA SER A 55 6.082 5.312 8.002 1.00 0.00 C ATOM 859 C SER A 55 6.660 6.571 7.325 1.00 0.00 C ATOM 860 O SER A 55 6.230 6.942 6.230 1.00 0.00 O ATOM 861 CB SER A 55 4.597 5.528 8.337 1.00 0.00 C ATOM 862 OG SER A 55 4.016 4.349 8.880 1.00 0.00 O ATOM 0 H SER A 55 6.958 5.657 9.867 1.00 0.00 H new ATOM 0 HA SER A 55 6.195 4.503 7.281 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.497 6.347 9.049 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.057 5.821 7.437 1.00 0.00 H new ATOM 0 HG SER A 55 3.072 4.514 9.086 1.00 0.00 H new ATOM 868 N GLY A 56 7.626 7.254 7.954 1.00 0.00 N ATOM 869 CA GLY A 56 8.232 8.497 7.453 1.00 0.00 C ATOM 870 C GLY A 56 7.341 9.740 7.607 1.00 0.00 C ATOM 871 O GLY A 56 7.459 10.680 6.824 1.00 0.00 O ATOM 0 H GLY A 56 8.017 6.951 8.846 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.170 8.669 7.981 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.478 8.369 6.399 1.00 0.00 H new ATOM 875 N VAL A 57 6.420 9.746 8.579 1.00 0.00 N ATOM 876 CA VAL A 57 5.467 10.854 8.796 1.00 0.00 C ATOM 877 C VAL A 57 5.988 11.841 9.846 1.00 0.00 C ATOM 878 O VAL A 57 6.340 11.450 10.962 1.00 0.00 O ATOM 879 CB VAL A 57 4.070 10.324 9.163 1.00 0.00 C ATOM 880 CG1 VAL A 57 3.073 11.466 9.419 1.00 0.00 C ATOM 881 CG2 VAL A 57 3.491 9.459 8.035 1.00 0.00 C ATOM 0 H VAL A 57 6.310 8.980 9.244 1.00 0.00 H new ATOM 0 HA VAL A 57 5.374 11.399 7.856 1.00 0.00 H new ATOM 0 HB VAL A 57 4.202 9.735 10.071 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.099 11.048 9.675 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.431 12.084 10.243 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.981 12.077 8.521 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.503 9.099 8.323 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.409 10.054 7.126 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.149 8.609 7.854 1.00 0.00 H new ATOM 891 N ILE A 58 6.008 13.127 9.492 1.00 0.00 N ATOM 892 CA ILE A 58 6.333 14.264 10.362 1.00 0.00 C ATOM 893 C ILE A 58 5.040 15.051 10.636 1.00 0.00 C ATOM 894 O ILE A 58 4.483 15.664 9.724 1.00 0.00 O ATOM 895 CB ILE A 58 7.428 15.129 9.692 1.00 0.00 C ATOM 896 CG1 ILE A 58 8.765 14.353 9.607 1.00 0.00 C ATOM 897 CG2 ILE A 58 7.617 16.477 10.420 1.00 0.00 C ATOM 898 CD1 ILE A 58 9.805 14.989 8.678 1.00 0.00 C ATOM 0 H ILE A 58 5.787 13.421 8.541 1.00 0.00 H new ATOM 0 HA ILE A 58 6.733 13.930 11.319 1.00 0.00 H new ATOM 0 HB ILE A 58 7.095 15.352 8.678 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.189 14.273 10.608 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.562 13.338 9.265 1.00 0.00 H new ATOM 0 HG21 ILE A 58 8.394 17.055 9.920 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.681 17.035 10.401 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.910 16.294 11.454 1.00 0.00 H new ATOM 0 HD11 ILE A 58 10.711 14.383 8.677 1.00 0.00 H new ATOM 0 HD12 ILE A 58 9.404 15.044 7.666 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.041 15.993 9.030 1.00 0.00 H new ATOM 910 N SER A 59 4.556 15.034 11.876 1.00 0.00 N ATOM 911 CA SER A 59 3.342 15.761 12.285 1.00 0.00 C ATOM 912 C SER A 59 3.701 17.062 12.996 1.00 0.00 C ATOM 913 O SER A 59 4.415 17.060 14.007 1.00 0.00 O ATOM 914 CB SER A 59 2.441 14.913 13.189 1.00 0.00 C ATOM 915 OG SER A 59 2.118 13.669 12.589 1.00 0.00 O ATOM 0 H SER A 59 4.994 14.513 12.636 1.00 0.00 H new ATOM 0 HA SER A 59 2.790 15.988 11.373 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.942 14.739 14.141 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.524 15.461 13.406 1.00 0.00 H new ATOM 0 HG SER A 59 1.544 13.154 13.193 1.00 0.00 H new ATOM 921 N LEU A 60 3.190 18.185 12.488 1.00 0.00 N ATOM 922 CA LEU A 60 3.312 19.503 13.120 1.00 0.00 C ATOM 923 C LEU A 60 2.125 19.781 14.055 1.00 0.00 C ATOM 924 O LEU A 60 1.011 19.292 13.842 1.00 0.00 O ATOM 925 CB LEU A 60 3.458 20.604 12.057 1.00 0.00 C ATOM 926 CG LEU A 60 4.508 20.326 10.963 1.00 0.00 C ATOM 927 CD1 LEU A 60 4.652 21.575 10.092 1.00 0.00 C ATOM 928 CD2 LEU A 60 5.892 19.957 11.511 1.00 0.00 C ATOM 0 H LEU A 60 2.670 18.206 11.611 1.00 0.00 H new ATOM 0 HA LEU A 60 4.215 19.505 13.730 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.490 20.756 11.579 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.716 21.537 12.557 1.00 0.00 H new ATOM 0 HG LEU A 60 4.149 19.466 10.397 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.392 21.392 9.313 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.692 21.811 9.632 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.974 22.414 10.709 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.575 19.776 10.681 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.272 20.776 12.122 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.814 19.056 12.120 1.00 0.00 H new ATOM 940 N ILE A 61 2.363 20.597 15.081 1.00 0.00 N ATOM 941 CA ILE A 61 1.374 21.024 16.082 1.00 0.00 C ATOM 942 C ILE A 61 1.431 22.540 16.279 1.00 0.00 C ATOM 943 O ILE A 61 2.470 23.166 16.084 1.00 0.00 O ATOM 944 CB ILE A 61 1.530 20.245 17.415 1.00 0.00 C ATOM 945 CG1 ILE A 61 2.902 20.380 18.120 1.00 0.00 C ATOM 946 CG2 ILE A 61 1.232 18.752 17.183 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.027 21.591 19.054 1.00 0.00 C ATOM 0 H ILE A 61 3.286 20.997 15.248 1.00 0.00 H new ATOM 0 HA ILE A 61 0.380 20.781 15.706 1.00 0.00 H new ATOM 0 HB ILE A 61 0.810 20.708 18.090 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.090 19.474 18.696 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.681 20.443 17.360 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.343 18.209 18.121 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.212 18.637 16.815 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.930 18.352 16.448 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.020 21.603 19.503 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.875 22.507 18.484 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.275 21.523 19.840 1.00 0.00 H new ATOM 959 N GLU A 62 0.311 23.154 16.655 1.00 0.00 N ATOM 960 CA GLU A 62 0.229 24.587 16.960 1.00 0.00 C ATOM 961 C GLU A 62 0.983 24.922 18.262 1.00 0.00 C ATOM 962 O GLU A 62 0.749 24.305 19.306 1.00 0.00 O ATOM 963 CB GLU A 62 -1.236 25.054 17.049 1.00 0.00 C ATOM 964 CG GLU A 62 -2.099 24.756 15.809 1.00 0.00 C ATOM 965 CD GLU A 62 -2.885 23.429 15.884 1.00 0.00 C ATOM 966 OE1 GLU A 62 -2.395 22.428 16.459 1.00 0.00 O ATOM 967 OE2 GLU A 62 -4.018 23.373 15.343 1.00 0.00 O1- ATOM 0 H GLU A 62 -0.579 22.666 16.759 1.00 0.00 H new ATOM 0 HA GLU A 62 0.708 25.124 16.141 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.699 24.581 17.915 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.247 26.129 17.229 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.804 25.575 15.667 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.455 24.734 14.930 1.00 0.00 H new ATOM 974 N GLU A 63 1.887 25.908 18.215 1.00 0.00 N ATOM 975 CA GLU A 63 2.683 26.344 19.378 1.00 0.00 C ATOM 976 C GLU A 63 1.870 27.215 20.365 1.00 0.00 C ATOM 977 O GLU A 63 2.195 27.272 21.554 1.00 0.00 O ATOM 978 CB GLU A 63 3.979 27.024 18.901 1.00 0.00 C ATOM 979 CG GLU A 63 3.830 28.389 18.202 1.00 0.00 C ATOM 980 CD GLU A 63 4.442 29.541 19.026 1.00 0.00 C ATOM 981 OE1 GLU A 63 3.965 29.805 20.154 1.00 0.00 O ATOM 982 OE2 GLU A 63 5.397 30.197 18.539 1.00 0.00 O1- ATOM 0 H GLU A 63 2.091 26.432 17.364 1.00 0.00 H new ATOM 0 HA GLU A 63 2.961 25.460 19.952 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.632 27.154 19.764 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.487 26.345 18.216 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.312 28.349 17.225 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.773 28.592 18.028 1.00 0.00 H new ATOM 1115 N MET B 3 15.781 3.582 9.517 1.00 0.00 N ATOM 1116 CA MET B 3 15.529 4.478 10.654 1.00 0.00 C ATOM 1117 C MET B 3 16.478 5.690 10.722 1.00 0.00 C ATOM 1118 O MET B 3 17.627 5.640 10.267 1.00 0.00 O ATOM 1119 CB MET B 3 15.608 3.679 11.964 1.00 0.00 C ATOM 1120 CG MET B 3 14.377 2.794 12.212 1.00 0.00 C ATOM 1121 SD MET B 3 14.232 1.290 11.203 1.00 0.00 S ATOM 1122 CE MET B 3 15.519 0.266 11.967 1.00 0.00 C ATOM 0 HA MET B 3 14.529 4.887 10.507 1.00 0.00 H new ATOM 0 HB2 MET B 3 16.500 3.052 11.946 1.00 0.00 H new ATOM 0 HB3 MET B 3 15.722 4.372 12.798 1.00 0.00 H new ATOM 0 HG2 MET B 3 14.376 2.500 13.262 1.00 0.00 H new ATOM 0 HG3 MET B 3 13.485 3.399 12.049 1.00 0.00 H new ATOM 0 HE1 MET B 3 15.349 -0.780 11.714 1.00 0.00 H new ATOM 0 HE2 MET B 3 16.497 0.575 11.598 1.00 0.00 H new ATOM 0 HE3 MET B 3 15.485 0.387 13.050 1.00 0.00 H new ATOM 1132 N ALA B 4 15.999 6.775 11.335 1.00 0.00 N ATOM 1133 CA ALA B 4 16.772 7.977 11.661 1.00 0.00 C ATOM 1134 C ALA B 4 17.689 7.782 12.890 1.00 0.00 C ATOM 1135 O ALA B 4 17.684 6.724 13.531 1.00 0.00 O ATOM 1136 CB ALA B 4 15.765 9.119 11.880 1.00 0.00 C ATOM 0 H ALA B 4 15.025 6.844 11.629 1.00 0.00 H new ATOM 0 HA ALA B 4 17.449 8.211 10.839 1.00 0.00 H new ATOM 0 HB1 ALA B 4 16.302 10.035 12.126 1.00 0.00 H new ATOM 0 HB2 ALA B 4 15.184 9.272 10.970 1.00 0.00 H new ATOM 0 HB3 ALA B 4 15.094 8.861 12.699 1.00 0.00 H new ATOM 1142 N LYS B 5 18.430 8.836 13.260 1.00 0.00 N ATOM 1143 CA LYS B 5 19.187 8.952 14.524 1.00 0.00 C ATOM 1144 C LYS B 5 19.034 10.341 15.152 1.00 0.00 C ATOM 1145 O LYS B 5 18.964 11.342 14.438 1.00 0.00 O ATOM 1146 CB LYS B 5 20.658 8.552 14.315 1.00 0.00 C ATOM 1147 CG LYS B 5 21.434 9.444 13.333 1.00 0.00 C ATOM 1148 CD LYS B 5 22.859 8.907 13.122 1.00 0.00 C ATOM 1149 CE LYS B 5 23.642 9.805 12.154 1.00 0.00 C ATOM 1150 NZ LYS B 5 25.025 9.296 11.943 1.00 0.00 N1+ ATOM 0 H LYS B 5 18.525 9.663 12.670 1.00 0.00 H new ATOM 0 HA LYS B 5 18.762 8.250 15.242 1.00 0.00 H new ATOM 0 HB2 LYS B 5 21.166 8.570 15.279 1.00 0.00 H new ATOM 0 HB3 LYS B 5 20.693 7.524 13.956 1.00 0.00 H new ATOM 0 HG2 LYS B 5 20.910 9.484 12.378 1.00 0.00 H new ATOM 0 HG3 LYS B 5 21.477 10.464 13.716 1.00 0.00 H new ATOM 0 HD2 LYS B 5 23.379 8.856 14.079 1.00 0.00 H new ATOM 0 HD3 LYS B 5 22.815 7.891 12.728 1.00 0.00 H new ATOM 0 HE2 LYS B 5 23.121 9.855 11.198 1.00 0.00 H new ATOM 0 HE3 LYS B 5 23.682 10.820 12.548 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 25.529 9.923 11.284 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 25.529 9.272 12.853 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 24.985 8.336 11.544 1.00 0.00 H new ATOM 1164 N VAL B 6 18.970 10.412 16.482 1.00 0.00 N ATOM 1165 CA VAL B 6 18.800 11.655 17.266 1.00 0.00 C ATOM 1166 C VAL B 6 20.135 12.126 17.843 1.00 0.00 C ATOM 1167 O VAL B 6 20.945 11.296 18.258 1.00 0.00 O ATOM 1168 CB VAL B 6 17.754 11.462 18.386 1.00 0.00 C ATOM 1169 CG1 VAL B 6 17.548 12.708 19.259 1.00 0.00 C ATOM 1170 CG2 VAL B 6 16.383 11.093 17.812 1.00 0.00 C ATOM 0 H VAL B 6 19.036 9.582 17.072 1.00 0.00 H new ATOM 0 HA VAL B 6 18.434 12.429 16.592 1.00 0.00 H new ATOM 0 HB VAL B 6 18.161 10.658 19.000 1.00 0.00 H new ATOM 0 HG11 VAL B 6 16.800 12.497 20.023 1.00 0.00 H new ATOM 0 HG12 VAL B 6 18.490 12.977 19.738 1.00 0.00 H new ATOM 0 HG13 VAL B 6 17.208 13.536 18.637 1.00 0.00 H new ATOM 0 HG21 VAL B 6 15.670 10.964 18.627 1.00 0.00 H new ATOM 0 HG22 VAL B 6 16.039 11.889 17.151 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.463 10.163 17.249 1.00 0.00 H new ATOM 1180 N VAL B 7 20.339 13.442 17.944 1.00 0.00 N ATOM 1181 CA VAL B 7 21.441 14.088 18.683 1.00 0.00 C ATOM 1182 C VAL B 7 20.939 15.245 19.559 1.00 0.00 C ATOM 1183 O VAL B 7 20.020 15.974 19.182 1.00 0.00 O ATOM 1184 CB VAL B 7 22.587 14.497 17.729 1.00 0.00 C ATOM 1185 CG1 VAL B 7 22.161 15.501 16.648 1.00 0.00 C ATOM 1186 CG2 VAL B 7 23.788 15.097 18.475 1.00 0.00 C ATOM 0 H VAL B 7 19.720 14.118 17.498 1.00 0.00 H new ATOM 0 HA VAL B 7 21.860 13.356 19.373 1.00 0.00 H new ATOM 0 HB VAL B 7 22.871 13.560 17.250 1.00 0.00 H new ATOM 0 HG11 VAL B 7 23.017 15.741 16.017 1.00 0.00 H new ATOM 0 HG12 VAL B 7 21.371 15.065 16.037 1.00 0.00 H new ATOM 0 HG13 VAL B 7 21.793 16.411 17.122 1.00 0.00 H new ATOM 0 HG21 VAL B 7 24.564 15.367 17.758 1.00 0.00 H new ATOM 0 HG22 VAL B 7 23.471 15.987 19.019 1.00 0.00 H new ATOM 0 HG23 VAL B 7 24.183 14.364 19.178 1.00 0.00 H new ATOM 1196 N LEU B 8 21.545 15.410 20.736 1.00 0.00 N ATOM 1197 CA LEU B 8 21.259 16.478 21.706 1.00 0.00 C ATOM 1198 C LEU B 8 22.509 16.895 22.500 1.00 0.00 C ATOM 1199 O LEU B 8 23.438 16.101 22.673 1.00 0.00 O ATOM 1200 CB LEU B 8 20.098 16.045 22.626 1.00 0.00 C ATOM 1201 CG LEU B 8 20.402 14.864 23.581 1.00 0.00 C ATOM 1202 CD1 LEU B 8 20.842 15.333 24.974 1.00 0.00 C ATOM 1203 CD2 LEU B 8 19.160 13.993 23.770 1.00 0.00 C ATOM 0 H LEU B 8 22.280 14.779 21.056 1.00 0.00 H new ATOM 0 HA LEU B 8 20.951 17.368 21.158 1.00 0.00 H new ATOM 0 HB2 LEU B 8 19.794 16.903 23.225 1.00 0.00 H new ATOM 0 HB3 LEU B 8 19.246 15.774 22.002 1.00 0.00 H new ATOM 0 HG LEU B 8 21.213 14.304 23.115 1.00 0.00 H new ATOM 0 HD11 LEU B 8 21.042 14.466 25.603 1.00 0.00 H new ATOM 0 HD12 LEU B 8 21.747 15.935 24.886 1.00 0.00 H new ATOM 0 HD13 LEU B 8 20.050 15.932 25.423 1.00 0.00 H new ATOM 0 HD21 LEU B 8 19.393 13.169 24.444 1.00 0.00 H new ATOM 0 HD22 LEU B 8 18.356 14.593 24.195 1.00 0.00 H new ATOM 0 HD23 LEU B 8 18.844 13.595 22.806 1.00 0.00 H new ATOM 1215 N THR B 9 22.512 18.129 23.011 1.00 0.00 N ATOM 1216 CA THR B 9 23.584 18.686 23.864 1.00 0.00 C ATOM 1217 C THR B 9 23.095 18.869 25.305 1.00 0.00 C ATOM 1218 O THR B 9 22.015 19.425 25.530 1.00 0.00 O ATOM 1219 CB THR B 9 24.126 20.019 23.306 1.00 0.00 C ATOM 1220 OG1 THR B 9 24.454 19.897 21.936 1.00 0.00 O ATOM 1221 CG2 THR B 9 25.409 20.470 24.008 1.00 0.00 C ATOM 0 H THR B 9 21.754 18.791 22.843 1.00 0.00 H new ATOM 0 HA THR B 9 24.404 17.968 23.862 1.00 0.00 H new ATOM 0 HB THR B 9 23.330 20.745 23.471 1.00 0.00 H new ATOM 0 HG1 THR B 9 24.809 20.749 21.607 1.00 0.00 H new ATOM 0 HG21 THR B 9 25.747 21.412 23.577 1.00 0.00 H new ATOM 0 HG22 THR B 9 25.213 20.607 25.071 1.00 0.00 H new ATOM 0 HG23 THR B 9 26.182 19.713 23.876 1.00 0.00 H new ATOM 1229 N LYS B 10 23.888 18.407 26.277 1.00 0.00 N ATOM 1230 CA LYS B 10 23.637 18.508 27.726 1.00 0.00 C ATOM 1231 C LYS B 10 24.025 19.883 28.296 1.00 0.00 C ATOM 1232 O LYS B 10 24.850 20.597 27.721 1.00 0.00 O ATOM 1233 CB LYS B 10 24.411 17.394 28.460 1.00 0.00 C ATOM 1234 CG LYS B 10 23.982 15.980 28.027 1.00 0.00 C ATOM 1235 CD LYS B 10 24.597 14.884 28.909 1.00 0.00 C ATOM 1236 CE LYS B 10 26.123 14.788 28.753 1.00 0.00 C ATOM 1237 NZ LYS B 10 26.689 13.702 29.594 1.00 0.00 N1+ ATOM 0 H LYS B 10 24.765 17.929 26.069 1.00 0.00 H new ATOM 0 HA LYS B 10 22.565 18.388 27.884 1.00 0.00 H new ATOM 0 HB2 LYS B 10 25.478 17.517 28.274 1.00 0.00 H new ATOM 0 HB3 LYS B 10 24.260 17.501 29.534 1.00 0.00 H new ATOM 0 HG2 LYS B 10 22.895 15.906 28.065 1.00 0.00 H new ATOM 0 HG3 LYS B 10 24.276 15.816 26.990 1.00 0.00 H new ATOM 0 HD2 LYS B 10 24.354 15.083 29.953 1.00 0.00 H new ATOM 0 HD3 LYS B 10 24.148 13.924 28.655 1.00 0.00 H new ATOM 0 HE2 LYS B 10 26.372 14.607 27.707 1.00 0.00 H new ATOM 0 HE3 LYS B 10 26.579 15.739 29.030 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 27.720 13.665 29.465 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 26.472 13.888 30.594 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 26.272 12.792 29.313 1.00 0.00 H new ATOM 1251 N ALA B 11 23.513 20.215 29.483 1.00 0.00 N ATOM 1252 CA ALA B 11 23.887 21.425 30.232 1.00 0.00 C ATOM 1253 C ALA B 11 25.377 21.457 30.649 1.00 0.00 C ATOM 1254 O ALA B 11 25.951 22.531 30.837 1.00 0.00 O ATOM 1255 CB ALA B 11 22.966 21.525 31.453 1.00 0.00 C ATOM 0 H ALA B 11 22.816 19.644 29.961 1.00 0.00 H new ATOM 0 HA ALA B 11 23.761 22.288 29.579 1.00 0.00 H new ATOM 0 HB1 ALA B 11 23.221 22.415 32.029 1.00 0.00 H new ATOM 0 HB2 ALA B 11 21.929 21.591 31.122 1.00 0.00 H new ATOM 0 HB3 ALA B 11 23.092 20.640 32.077 1.00 0.00 H new ATOM 1261 N ASP B 12 26.025 20.290 30.736 1.00 0.00 N ATOM 1262 CA ASP B 12 27.470 20.139 30.979 1.00 0.00 C ATOM 1263 C ASP B 12 28.353 20.466 29.753 1.00 0.00 C ATOM 1264 O ASP B 12 29.583 20.481 29.864 1.00 0.00 O ATOM 1265 CB ASP B 12 27.752 18.698 31.459 1.00 0.00 C ATOM 1266 CG ASP B 12 27.063 18.306 32.781 1.00 0.00 C ATOM 1267 OD1 ASP B 12 26.885 17.085 33.012 1.00 0.00 O ATOM 1268 OD2 ASP B 12 26.733 19.186 33.612 1.00 0.00 O1- ATOM 0 H ASP B 12 25.546 19.395 30.637 1.00 0.00 H new ATOM 0 HA ASP B 12 27.738 20.869 31.743 1.00 0.00 H new ATOM 0 HB2 ASP B 12 27.435 18.003 30.681 1.00 0.00 H new ATOM 0 HB3 ASP B 12 28.829 18.574 31.577 1.00 0.00 H new ATOM 1273 N GLY B 13 27.749 20.698 28.577 1.00 0.00 N ATOM 1274 CA GLY B 13 28.439 20.923 27.298 1.00 0.00 C ATOM 1275 C GLY B 13 28.820 19.644 26.533 1.00 0.00 C ATOM 1276 O GLY B 13 29.272 19.727 25.386 1.00 0.00 O ATOM 0 H GLY B 13 26.734 20.735 28.488 1.00 0.00 H new ATOM 0 HA2 GLY B 13 27.800 21.534 26.660 1.00 0.00 H new ATOM 0 HA3 GLY B 13 29.345 21.499 27.487 1.00 0.00 H new ATOM 1280 N GLY B 14 28.622 18.461 27.130 1.00 0.00 N ATOM 1281 CA GLY B 14 28.727 17.158 26.452 1.00 0.00 C ATOM 1282 C GLY B 14 27.530 16.873 25.537 1.00 0.00 C ATOM 1283 O GLY B 14 26.512 17.569 25.589 1.00 0.00 O ATOM 0 H GLY B 14 28.379 18.379 28.117 1.00 0.00 H new ATOM 0 HA2 GLY B 14 29.644 17.131 25.864 1.00 0.00 H new ATOM 0 HA3 GLY B 14 28.805 16.369 27.200 1.00 0.00 H new ATOM 1287 N ARG B 15 27.632 15.834 24.701 1.00 0.00 N ATOM 1288 CA ARG B 15 26.597 15.435 23.727 1.00 0.00 C ATOM 1289 C ARG B 15 26.215 13.959 23.838 1.00 0.00 C ATOM 1290 O ARG B 15 27.002 13.126 24.297 1.00 0.00 O ATOM 1291 CB ARG B 15 27.031 15.820 22.298 1.00 0.00 C ATOM 1292 CG ARG B 15 26.877 17.330 22.075 1.00 0.00 C ATOM 1293 CD ARG B 15 27.264 17.773 20.667 1.00 0.00 C ATOM 1294 NE ARG B 15 26.830 19.164 20.445 1.00 0.00 N ATOM 1295 CZ ARG B 15 27.279 20.027 19.552 1.00 0.00 C ATOM 1296 NH1 ARG B 15 28.234 19.734 18.710 1.00 0.00 N1+ ATOM 1297 NH2 ARG B 15 26.753 21.215 19.485 1.00 0.00 N ATOM 0 H ARG B 15 28.454 15.230 24.678 1.00 0.00 H new ATOM 0 HA ARG B 15 25.689 15.987 23.968 1.00 0.00 H new ATOM 0 HB2 ARG B 15 28.068 15.527 22.136 1.00 0.00 H new ATOM 0 HB3 ARG B 15 26.429 15.276 21.570 1.00 0.00 H new ATOM 0 HG2 ARG B 15 25.843 17.615 22.267 1.00 0.00 H new ATOM 0 HG3 ARG B 15 27.494 17.862 22.799 1.00 0.00 H new ATOM 0 HD2 ARG B 15 28.343 17.693 20.534 1.00 0.00 H new ATOM 0 HD3 ARG B 15 26.803 17.116 19.929 1.00 0.00 H new ATOM 0 HE ARG B 15 26.089 19.503 21.059 1.00 0.00 H new ATOM 0 HH11 ARG B 15 28.662 18.808 18.727 1.00 0.00 H new ATOM 0 HH12 ARG B 15 28.551 20.431 18.036 1.00 0.00 H new ATOM 0 HH21 ARG B 15 25.998 21.475 20.120 1.00 0.00 H new ATOM 0 HH22 ARG B 15 27.095 21.886 18.798 1.00 0.00 H new ATOM 1311 N VAL B 16 24.982 13.662 23.435 1.00 0.00 N ATOM 1312 CA VAL B 16 24.346 12.333 23.492 1.00 0.00 C ATOM 1313 C VAL B 16 23.653 12.049 22.159 1.00 0.00 C ATOM 1314 O VAL B 16 23.054 12.943 21.559 1.00 0.00 O ATOM 1315 CB VAL B 16 23.360 12.256 24.674 1.00 0.00 C ATOM 1316 CG1 VAL B 16 22.552 10.952 24.715 1.00 0.00 C ATOM 1317 CG2 VAL B 16 24.089 12.377 26.021 1.00 0.00 C ATOM 0 H VAL B 16 24.363 14.370 23.040 1.00 0.00 H new ATOM 0 HA VAL B 16 25.106 11.569 23.657 1.00 0.00 H new ATOM 0 HB VAL B 16 22.679 13.092 24.516 1.00 0.00 H new ATOM 0 HG11 VAL B 16 21.879 10.968 25.572 1.00 0.00 H new ATOM 0 HG12 VAL B 16 21.970 10.856 23.799 1.00 0.00 H new ATOM 0 HG13 VAL B 16 23.232 10.105 24.803 1.00 0.00 H new ATOM 0 HG21 VAL B 16 23.365 12.319 26.833 1.00 0.00 H new ATOM 0 HG22 VAL B 16 24.810 11.565 26.119 1.00 0.00 H new ATOM 0 HG23 VAL B 16 24.611 13.333 26.068 1.00 0.00 H new ATOM 1327 N GLU B 17 23.714 10.798 21.703 1.00 0.00 N ATOM 1328 CA GLU B 17 23.059 10.320 20.482 1.00 0.00 C ATOM 1329 C GLU B 17 22.228 9.053 20.737 1.00 0.00 C ATOM 1330 O GLU B 17 22.575 8.234 21.591 1.00 0.00 O ATOM 1331 CB GLU B 17 24.073 10.054 19.350 1.00 0.00 C ATOM 1332 CG GLU B 17 24.963 11.258 18.988 1.00 0.00 C ATOM 1333 CD GLU B 17 26.168 11.461 19.934 1.00 0.00 C ATOM 1334 OE1 GLU B 17 26.812 10.470 20.360 1.00 0.00 O ATOM 1335 OE2 GLU B 17 26.506 12.632 20.228 1.00 0.00 O1- ATOM 0 H GLU B 17 24.235 10.066 22.186 1.00 0.00 H new ATOM 0 HA GLU B 17 22.388 11.119 20.166 1.00 0.00 H new ATOM 0 HB2 GLU B 17 24.713 9.221 19.642 1.00 0.00 H new ATOM 0 HB3 GLU B 17 23.529 9.741 18.459 1.00 0.00 H new ATOM 0 HG2 GLU B 17 25.332 11.130 17.970 1.00 0.00 H new ATOM 0 HG3 GLU B 17 24.353 12.162 18.995 1.00 0.00 H new ATOM 1342 N ILE B 18 21.150 8.877 19.965 1.00 0.00 N ATOM 1343 CA ILE B 18 20.285 7.686 19.974 1.00 0.00 C ATOM 1344 C ILE B 18 20.129 7.191 18.528 1.00 0.00 C ATOM 1345 O ILE B 18 19.533 7.876 17.693 1.00 0.00 O ATOM 1346 CB ILE B 18 18.914 7.960 20.649 1.00 0.00 C ATOM 1347 CG1 ILE B 18 19.017 8.616 22.047 1.00 0.00 C ATOM 1348 CG2 ILE B 18 18.164 6.624 20.787 1.00 0.00 C ATOM 1349 CD1 ILE B 18 18.924 10.148 22.007 1.00 0.00 C ATOM 0 H ILE B 18 20.843 9.581 19.294 1.00 0.00 H new ATOM 0 HA ILE B 18 20.751 6.906 20.576 1.00 0.00 H new ATOM 0 HB ILE B 18 18.386 8.669 20.011 1.00 0.00 H new ATOM 0 HG12 ILE B 18 18.222 8.227 22.683 1.00 0.00 H new ATOM 0 HG13 ILE B 18 19.962 8.328 22.507 1.00 0.00 H new ATOM 0 HG21 ILE B 18 17.197 6.797 21.260 1.00 0.00 H new ATOM 0 HG22 ILE B 18 18.012 6.188 19.799 1.00 0.00 H new ATOM 0 HG23 ILE B 18 18.750 5.939 21.400 1.00 0.00 H new ATOM 0 HD11 ILE B 18 19.003 10.544 23.019 1.00 0.00 H new ATOM 0 HD12 ILE B 18 19.735 10.546 21.397 1.00 0.00 H new ATOM 0 HD13 ILE B 18 17.967 10.443 21.576 1.00 0.00 H new ATOM 1361 N GLY B 19 20.689 6.016 18.228 1.00 0.00 N ATOM 1362 CA GLY B 19 20.695 5.428 16.881 1.00 0.00 C ATOM 1363 C GLY B 19 19.458 4.583 16.558 1.00 0.00 C ATOM 1364 O GLY B 19 18.834 4.009 17.453 1.00 0.00 O ATOM 0 H GLY B 19 21.159 5.436 18.923 1.00 0.00 H new ATOM 0 HA2 GLY B 19 20.775 6.230 16.147 1.00 0.00 H new ATOM 0 HA3 GLY B 19 21.584 4.807 16.772 1.00 0.00 H new ATOM 1368 N ASP B 20 19.142 4.461 15.262 1.00 0.00 N ATOM 1369 CA ASP B 20 18.123 3.564 14.698 1.00 0.00 C ATOM 1370 C ASP B 20 16.735 3.698 15.369 1.00 0.00 C ATOM 1371 O ASP B 20 16.097 2.717 15.769 1.00 0.00 O ATOM 1372 CB ASP B 20 18.657 2.126 14.627 1.00 0.00 C ATOM 1373 CG ASP B 20 19.956 1.944 13.818 1.00 0.00 C ATOM 1374 OD1 ASP B 20 20.634 0.903 14.006 1.00 0.00 O ATOM 1375 OD2 ASP B 20 20.298 2.799 12.964 1.00 0.00 O1- ATOM 0 H ASP B 20 19.612 5.011 14.543 1.00 0.00 H new ATOM 0 HA ASP B 20 17.932 3.883 13.673 1.00 0.00 H new ATOM 0 HB2 ASP B 20 18.828 1.769 15.643 1.00 0.00 H new ATOM 0 HB3 ASP B 20 17.886 1.491 14.192 1.00 0.00 H new ATOM 1380 N VAL B 21 16.257 4.938 15.527 1.00 0.00 N ATOM 1381 CA VAL B 21 14.999 5.262 16.213 1.00 0.00 C ATOM 1382 C VAL B 21 13.769 4.938 15.357 1.00 0.00 C ATOM 1383 O VAL B 21 13.709 5.279 14.175 1.00 0.00 O ATOM 1384 CB VAL B 21 14.976 6.714 16.729 1.00 0.00 C ATOM 1385 CG1 VAL B 21 16.103 6.914 17.751 1.00 0.00 C ATOM 1386 CG2 VAL B 21 15.099 7.804 15.656 1.00 0.00 C ATOM 0 H VAL B 21 16.744 5.762 15.174 1.00 0.00 H new ATOM 0 HA VAL B 21 14.949 4.615 17.089 1.00 0.00 H new ATOM 0 HB VAL B 21 13.986 6.835 17.168 1.00 0.00 H new ATOM 0 HG11 VAL B 21 16.086 7.941 18.115 1.00 0.00 H new ATOM 0 HG12 VAL B 21 15.961 6.230 18.588 1.00 0.00 H new ATOM 0 HG13 VAL B 21 17.064 6.713 17.277 1.00 0.00 H new ATOM 0 HG21 VAL B 21 15.071 8.785 16.129 1.00 0.00 H new ATOM 0 HG22 VAL B 21 16.042 7.685 15.123 1.00 0.00 H new ATOM 0 HG23 VAL B 21 14.271 7.717 14.953 1.00 0.00 H new ATOM 1396 N LEU B 22 12.760 4.310 15.968 1.00 0.00 N ATOM 1397 CA LEU B 22 11.444 4.062 15.367 1.00 0.00 C ATOM 1398 C LEU B 22 10.537 5.299 15.448 1.00 0.00 C ATOM 1399 O LEU B 22 9.694 5.498 14.576 1.00 0.00 O ATOM 1400 CB LEU B 22 10.757 2.879 16.077 1.00 0.00 C ATOM 1401 CG LEU B 22 11.462 1.518 15.952 1.00 0.00 C ATOM 1402 CD1 LEU B 22 10.650 0.482 16.737 1.00 0.00 C ATOM 1403 CD2 LEU B 22 11.572 1.037 14.504 1.00 0.00 C ATOM 0 H LEU B 22 12.837 3.950 16.919 1.00 0.00 H new ATOM 0 HA LEU B 22 11.603 3.826 14.315 1.00 0.00 H new ATOM 0 HB2 LEU B 22 10.662 3.121 17.136 1.00 0.00 H new ATOM 0 HB3 LEU B 22 9.746 2.780 15.681 1.00 0.00 H new ATOM 0 HG LEU B 22 12.473 1.634 16.342 1.00 0.00 H new ATOM 0 HD11 LEU B 22 11.133 -0.492 16.661 1.00 0.00 H new ATOM 0 HD12 LEU B 22 10.596 0.780 17.784 1.00 0.00 H new ATOM 0 HD13 LEU B 22 9.643 0.420 16.324 1.00 0.00 H new ATOM 0 HD21 LEU B 22 12.078 0.072 14.479 1.00 0.00 H new ATOM 0 HD22 LEU B 22 10.574 0.935 14.078 1.00 0.00 H new ATOM 0 HD23 LEU B 22 12.142 1.761 13.922 1.00 0.00 H new ATOM 1415 N GLU B 23 10.693 6.124 16.490 1.00 0.00 N ATOM 1416 CA GLU B 23 9.823 7.272 16.764 1.00 0.00 C ATOM 1417 C GLU B 23 10.474 8.308 17.695 1.00 0.00 C ATOM 1418 O GLU B 23 11.211 7.949 18.616 1.00 0.00 O ATOM 1419 CB GLU B 23 8.514 6.746 17.381 1.00 0.00 C ATOM 1420 CG GLU B 23 7.470 7.841 17.628 1.00 0.00 C ATOM 1421 CD GLU B 23 6.104 7.273 18.020 1.00 0.00 C ATOM 1422 OE1 GLU B 23 5.143 8.062 18.123 1.00 0.00 O ATOM 1423 OE2 GLU B 23 5.944 6.061 18.286 1.00 0.00 O1- ATOM 0 H GLU B 23 11.439 6.010 17.177 1.00 0.00 H new ATOM 0 HA GLU B 23 9.632 7.789 15.824 1.00 0.00 H new ATOM 0 HB2 GLU B 23 8.088 5.991 16.720 1.00 0.00 H new ATOM 0 HB3 GLU B 23 8.740 6.251 18.326 1.00 0.00 H new ATOM 0 HG2 GLU B 23 7.824 8.504 18.417 1.00 0.00 H new ATOM 0 HG3 GLU B 23 7.363 8.446 16.728 1.00 0.00 H new ATOM 1430 N VAL B 24 10.144 9.586 17.486 1.00 0.00 N ATOM 1431 CA VAL B 24 10.488 10.724 18.357 1.00 0.00 C ATOM 1432 C VAL B 24 9.246 11.608 18.560 1.00 0.00 C ATOM 1433 O VAL B 24 8.481 11.843 17.620 1.00 0.00 O ATOM 1434 CB VAL B 24 11.669 11.541 17.790 1.00 0.00 C ATOM 1435 CG1 VAL B 24 12.168 12.605 18.772 1.00 0.00 C ATOM 1436 CG2 VAL B 24 12.860 10.675 17.353 1.00 0.00 C ATOM 0 H VAL B 24 9.605 9.873 16.669 1.00 0.00 H new ATOM 0 HA VAL B 24 10.811 10.336 19.323 1.00 0.00 H new ATOM 0 HB VAL B 24 11.258 12.028 16.905 1.00 0.00 H new ATOM 0 HG11 VAL B 24 12.999 13.151 18.325 1.00 0.00 H new ATOM 0 HG12 VAL B 24 11.358 13.298 19.000 1.00 0.00 H new ATOM 0 HG13 VAL B 24 12.503 12.124 19.691 1.00 0.00 H new ATOM 0 HG21 VAL B 24 13.652 11.315 16.965 1.00 0.00 H new ATOM 0 HG22 VAL B 24 13.234 10.112 18.208 1.00 0.00 H new ATOM 0 HG23 VAL B 24 12.540 9.982 16.575 1.00 0.00 H new ATOM 1446 N ARG B 25 9.023 12.095 19.787 1.00 0.00 N ATOM 1447 CA ARG B 25 7.847 12.875 20.228 1.00 0.00 C ATOM 1448 C ARG B 25 8.289 14.104 21.027 1.00 0.00 C ATOM 1449 O ARG B 25 9.185 13.993 21.860 1.00 0.00 O ATOM 1450 CB ARG B 25 6.932 12.002 21.114 1.00 0.00 C ATOM 1451 CG ARG B 25 6.442 10.699 20.461 1.00 0.00 C ATOM 1452 CD ARG B 25 5.571 9.896 21.441 1.00 0.00 C ATOM 1453 NE ARG B 25 5.194 8.592 20.867 1.00 0.00 N ATOM 1454 CZ ARG B 25 4.842 7.493 21.511 1.00 0.00 C ATOM 1455 NH1 ARG B 25 4.638 7.468 22.798 1.00 0.00 N1+ ATOM 1456 NH2 ARG B 25 4.692 6.380 20.851 1.00 0.00 N ATOM 0 H ARG B 25 9.691 11.951 20.544 1.00 0.00 H new ATOM 0 HA ARG B 25 7.301 13.198 19.342 1.00 0.00 H new ATOM 0 HB2 ARG B 25 7.469 11.752 22.029 1.00 0.00 H new ATOM 0 HB3 ARG B 25 6.064 12.593 21.406 1.00 0.00 H new ATOM 0 HG2 ARG B 25 5.870 10.929 19.562 1.00 0.00 H new ATOM 0 HG3 ARG B 25 7.297 10.098 20.150 1.00 0.00 H new ATOM 0 HD2 ARG B 25 6.114 9.743 22.374 1.00 0.00 H new ATOM 0 HD3 ARG B 25 4.673 10.464 21.684 1.00 0.00 H new ATOM 0 HE ARG B 25 5.206 8.530 19.849 1.00 0.00 H new ATOM 0 HH11 ARG B 25 4.749 8.319 23.349 1.00 0.00 H new ATOM 0 HH12 ARG B 25 4.367 6.597 23.255 1.00 0.00 H new ATOM 0 HH21 ARG B 25 4.846 6.360 19.843 1.00 0.00 H new ATOM 0 HH22 ARG B 25 4.420 5.528 21.342 1.00 0.00 H new ATOM 1470 N ALA B 26 7.627 15.241 20.837 1.00 0.00 N ATOM 1471 CA ALA B 26 7.750 16.428 21.688 1.00 0.00 C ATOM 1472 C ALA B 26 6.443 16.698 22.458 1.00 0.00 C ATOM 1473 O ALA B 26 5.349 16.588 21.899 1.00 0.00 O ATOM 1474 CB ALA B 26 8.172 17.622 20.824 1.00 0.00 C ATOM 0 H ALA B 26 6.971 15.369 20.067 1.00 0.00 H new ATOM 0 HA ALA B 26 8.519 16.259 22.442 1.00 0.00 H new ATOM 0 HB1 ALA B 26 8.266 18.509 21.450 1.00 0.00 H new ATOM 0 HB2 ALA B 26 9.131 17.408 20.352 1.00 0.00 H new ATOM 0 HB3 ALA B 26 7.420 17.798 20.055 1.00 0.00 H new ATOM 1509 N ALA B 30 9.326 18.465 27.339 1.00 0.00 N ATOM 1510 CA ALA B 30 10.304 17.391 27.125 1.00 0.00 C ATOM 1511 C ALA B 30 10.252 16.815 25.692 1.00 0.00 C ATOM 1512 O ALA B 30 9.263 16.974 24.970 1.00 0.00 O ATOM 1513 CB ALA B 30 10.040 16.272 28.145 1.00 0.00 C ATOM 0 HA ALA B 30 11.300 17.813 27.260 1.00 0.00 H new ATOM 0 HB1 ALA B 30 10.760 15.467 27.997 1.00 0.00 H new ATOM 0 HB2 ALA B 30 10.142 16.669 29.155 1.00 0.00 H new ATOM 0 HB3 ALA B 30 9.030 15.885 28.007 1.00 0.00 H new ATOM 1519 N VAL B 31 11.297 16.065 25.324 1.00 0.00 N ATOM 1520 CA VAL B 31 11.308 15.119 24.188 1.00 0.00 C ATOM 1521 C VAL B 31 11.381 13.675 24.684 1.00 0.00 C ATOM 1522 O VAL B 31 12.032 13.392 25.692 1.00 0.00 O ATOM 1523 CB VAL B 31 12.441 15.447 23.195 1.00 0.00 C ATOM 1524 CG1 VAL B 31 12.668 14.373 22.114 1.00 0.00 C ATOM 1525 CG2 VAL B 31 12.119 16.758 22.467 1.00 0.00 C ATOM 0 H VAL B 31 12.188 16.096 25.819 1.00 0.00 H new ATOM 0 HA VAL B 31 10.370 15.230 23.645 1.00 0.00 H new ATOM 0 HB VAL B 31 13.346 15.510 23.799 1.00 0.00 H new ATOM 0 HG11 VAL B 31 13.482 14.683 21.458 1.00 0.00 H new ATOM 0 HG12 VAL B 31 12.926 13.427 22.590 1.00 0.00 H new ATOM 0 HG13 VAL B 31 11.757 14.248 21.528 1.00 0.00 H new ATOM 0 HG21 VAL B 31 12.920 16.990 21.765 1.00 0.00 H new ATOM 0 HG22 VAL B 31 11.180 16.652 21.924 1.00 0.00 H new ATOM 0 HG23 VAL B 31 12.028 17.565 23.194 1.00 0.00 H new ATOM 1535 N ARG B 32 10.731 12.755 23.963 1.00 0.00 N ATOM 1536 CA ARG B 32 10.773 11.295 24.175 1.00 0.00 C ATOM 1537 C ARG B 32 11.067 10.572 22.862 1.00 0.00 C ATOM 1538 O ARG B 32 10.693 11.060 21.797 1.00 0.00 O ATOM 1539 CB ARG B 32 9.450 10.805 24.790 1.00 0.00 C ATOM 1540 CG ARG B 32 9.259 11.324 26.222 1.00 0.00 C ATOM 1541 CD ARG B 32 7.882 11.002 26.802 1.00 0.00 C ATOM 1542 NE ARG B 32 7.687 9.554 27.008 1.00 0.00 N ATOM 1543 CZ ARG B 32 6.595 8.961 27.448 1.00 0.00 C ATOM 1544 NH1 ARG B 32 6.600 7.672 27.571 1.00 0.00 N1+ ATOM 1545 NH2 ARG B 32 5.510 9.616 27.762 1.00 0.00 N ATOM 0 H ARG B 32 10.133 13.015 23.179 1.00 0.00 H new ATOM 0 HA ARG B 32 11.578 11.066 24.874 1.00 0.00 H new ATOM 0 HB2 ARG B 32 8.617 11.135 24.170 1.00 0.00 H new ATOM 0 HB3 ARG B 32 9.433 9.715 24.793 1.00 0.00 H new ATOM 0 HG2 ARG B 32 10.026 10.891 26.864 1.00 0.00 H new ATOM 0 HG3 ARG B 32 9.407 12.404 26.233 1.00 0.00 H new ATOM 0 HD2 ARG B 32 7.760 11.522 27.752 1.00 0.00 H new ATOM 0 HD3 ARG B 32 7.110 11.379 26.131 1.00 0.00 H new ATOM 0 HE ARG B 32 8.479 8.950 26.787 1.00 0.00 H new ATOM 0 HH11 ARG B 32 7.436 7.140 27.330 1.00 0.00 H new ATOM 0 HH12 ARG B 32 5.768 7.189 27.909 1.00 0.00 H new ATOM 0 HH21 ARG B 32 5.483 10.632 27.671 1.00 0.00 H new ATOM 0 HH22 ARG B 32 4.689 9.112 28.098 1.00 0.00 H new ATOM 1559 N VAL B 33 11.741 9.426 22.916 1.00 0.00 N ATOM 1560 CA VAL B 33 12.214 8.700 21.718 1.00 0.00 C ATOM 1561 C VAL B 33 12.374 7.196 21.963 1.00 0.00 C ATOM 1562 O VAL B 33 12.826 6.778 23.029 1.00 0.00 O ATOM 1563 CB VAL B 33 13.477 9.361 21.107 1.00 0.00 C ATOM 1564 CG1 VAL B 33 14.380 10.106 22.092 1.00 0.00 C ATOM 1565 CG2 VAL B 33 14.380 8.421 20.304 1.00 0.00 C ATOM 0 H VAL B 33 11.981 8.964 23.793 1.00 0.00 H new ATOM 0 HA VAL B 33 11.431 8.784 20.964 1.00 0.00 H new ATOM 0 HB VAL B 33 13.002 10.080 20.440 1.00 0.00 H new ATOM 0 HG11 VAL B 33 15.231 10.528 21.558 1.00 0.00 H new ATOM 0 HG12 VAL B 33 13.816 10.908 22.567 1.00 0.00 H new ATOM 0 HG13 VAL B 33 14.737 9.413 22.854 1.00 0.00 H new ATOM 0 HG21 VAL B 33 15.234 8.978 19.919 1.00 0.00 H new ATOM 0 HG22 VAL B 33 14.732 7.616 20.949 1.00 0.00 H new ATOM 0 HG23 VAL B 33 13.817 7.999 19.471 1.00 0.00 H new ATOM 1575 N THR B 34 12.011 6.384 20.963 1.00 0.00 N ATOM 1576 CA THR B 34 11.977 4.909 21.032 1.00 0.00 C ATOM 1577 C THR B 34 12.851 4.264 19.956 1.00 0.00 C ATOM 1578 O THR B 34 12.830 4.677 18.794 1.00 0.00 O ATOM 1579 CB THR B 34 10.531 4.395 20.919 1.00 0.00 C ATOM 1580 OG1 THR B 34 9.737 4.940 21.957 1.00 0.00 O ATOM 1581 CG2 THR B 34 10.412 2.872 21.043 1.00 0.00 C ATOM 0 H THR B 34 11.723 6.742 20.052 1.00 0.00 H new ATOM 0 HA THR B 34 12.383 4.623 22.002 1.00 0.00 H new ATOM 0 HB THR B 34 10.195 4.702 19.929 1.00 0.00 H new ATOM 0 HG1 THR B 34 8.819 4.608 21.875 1.00 0.00 H new ATOM 0 HG21 THR B 34 9.366 2.580 20.954 1.00 0.00 H new ATOM 0 HG22 THR B 34 10.990 2.396 20.251 1.00 0.00 H new ATOM 0 HG23 THR B 34 10.796 2.555 22.013 1.00 0.00 H new ATOM 1589 N THR B 35 13.609 3.230 20.332 1.00 0.00 N ATOM 1590 CA THR B 35 14.527 2.468 19.459 1.00 0.00 C ATOM 1591 C THR B 35 13.953 1.125 18.991 1.00 0.00 C ATOM 1592 O THR B 35 12.993 0.601 19.563 1.00 0.00 O ATOM 1593 CB THR B 35 15.872 2.203 20.159 1.00 0.00 C ATOM 1594 OG1 THR B 35 15.690 1.334 21.255 1.00 0.00 O ATOM 1595 CG2 THR B 35 16.570 3.473 20.642 1.00 0.00 C ATOM 0 H THR B 35 13.605 2.881 21.291 1.00 0.00 H new ATOM 0 HA THR B 35 14.671 3.099 18.582 1.00 0.00 H new ATOM 0 HB THR B 35 16.515 1.746 19.407 1.00 0.00 H new ATOM 0 HG1 THR B 35 15.105 1.759 21.916 1.00 0.00 H new ATOM 0 HG21 THR B 35 17.511 3.210 21.125 1.00 0.00 H new ATOM 0 HG22 THR B 35 16.769 4.125 19.791 1.00 0.00 H new ATOM 0 HG23 THR B 35 15.929 3.992 21.355 1.00 0.00 H new ATOM 1603 N LEU B 36 14.591 0.510 17.986 1.00 0.00 N ATOM 1604 CA LEU B 36 14.290 -0.856 17.519 1.00 0.00 C ATOM 1605 C LEU B 36 14.573 -1.960 18.562 1.00 0.00 C ATOM 1606 O LEU B 36 14.113 -3.092 18.386 1.00 0.00 O ATOM 1607 CB LEU B 36 15.010 -1.120 16.181 1.00 0.00 C ATOM 1608 CG LEU B 36 16.479 -1.593 16.264 1.00 0.00 C ATOM 1609 CD1 LEU B 36 17.015 -1.835 14.853 1.00 0.00 C ATOM 1610 CD2 LEU B 36 17.394 -0.579 16.949 1.00 0.00 C ATOM 0 H LEU B 36 15.346 0.954 17.463 1.00 0.00 H new ATOM 0 HA LEU B 36 13.213 -0.907 17.362 1.00 0.00 H new ATOM 0 HB2 LEU B 36 14.442 -1.870 15.631 1.00 0.00 H new ATOM 0 HB3 LEU B 36 14.981 -0.203 15.592 1.00 0.00 H new ATOM 0 HG LEU B 36 16.480 -2.506 16.859 1.00 0.00 H new ATOM 0 HD11 LEU B 36 18.051 -2.169 14.910 1.00 0.00 H new ATOM 0 HD12 LEU B 36 16.414 -2.600 14.362 1.00 0.00 H new ATOM 0 HD13 LEU B 36 16.963 -0.909 14.280 1.00 0.00 H new ATOM 0 HD21 LEU B 36 18.412 -0.968 16.977 1.00 0.00 H new ATOM 0 HD22 LEU B 36 17.379 0.358 16.393 1.00 0.00 H new ATOM 0 HD23 LEU B 36 17.045 -0.403 17.966 1.00 0.00 H new ATOM 1622 N PHE B 37 15.287 -1.654 19.652 1.00 0.00 N ATOM 1623 CA PHE B 37 15.560 -2.567 20.770 1.00 0.00 C ATOM 1624 C PHE B 37 14.376 -2.700 21.756 1.00 0.00 C ATOM 1625 O PHE B 37 14.508 -3.363 22.789 1.00 0.00 O ATOM 1626 CB PHE B 37 16.824 -2.097 21.510 1.00 0.00 C ATOM 1627 CG PHE B 37 18.034 -1.848 20.628 1.00 0.00 C ATOM 1628 CD1 PHE B 37 18.610 -2.905 19.896 1.00 0.00 C ATOM 1629 CD2 PHE B 37 18.602 -0.560 20.544 1.00 0.00 C ATOM 1630 CE1 PHE B 37 19.735 -2.676 19.083 1.00 0.00 C ATOM 1631 CE2 PHE B 37 19.735 -0.334 19.740 1.00 0.00 C ATOM 1632 CZ PHE B 37 20.302 -1.392 19.009 1.00 0.00 C ATOM 0 H PHE B 37 15.705 -0.733 19.785 1.00 0.00 H new ATOM 0 HA PHE B 37 15.713 -3.560 20.348 1.00 0.00 H new ATOM 0 HB2 PHE B 37 16.591 -1.178 22.047 1.00 0.00 H new ATOM 0 HB3 PHE B 37 17.087 -2.845 22.258 1.00 0.00 H new ATOM 0 HD1 PHE B 37 18.186 -3.896 19.959 1.00 0.00 H new ATOM 0 HD2 PHE B 37 18.166 0.257 21.099 1.00 0.00 H new ATOM 0 HE1 PHE B 37 20.164 -3.488 18.515 1.00 0.00 H new ATOM 0 HE2 PHE B 37 20.169 0.653 19.685 1.00 0.00 H new ATOM 0 HZ PHE B 37 21.171 -1.219 18.392 1.00 0.00 H new ATOM 1642 N ASP B 38 13.240 -2.046 21.482 1.00 0.00 N ATOM 1643 CA ASP B 38 12.112 -1.838 22.407 1.00 0.00 C ATOM 1644 C ASP B 38 12.510 -1.053 23.683 1.00 0.00 C ATOM 1645 O ASP B 38 11.864 -1.145 24.730 1.00 0.00 O ATOM 1646 CB ASP B 38 11.359 -3.158 22.673 1.00 0.00 C ATOM 1647 CG ASP B 38 9.936 -2.977 23.248 1.00 0.00 C ATOM 1648 OD1 ASP B 38 9.285 -1.933 22.993 1.00 0.00 O ATOM 1649 OD2 ASP B 38 9.444 -3.918 23.923 1.00 0.00 O1- ATOM 0 H ASP B 38 13.072 -1.627 20.567 1.00 0.00 H new ATOM 0 HA ASP B 38 11.396 -1.181 21.914 1.00 0.00 H new ATOM 0 HB2 ASP B 38 11.292 -3.718 21.740 1.00 0.00 H new ATOM 0 HB3 ASP B 38 11.944 -3.762 23.367 1.00 0.00 H new ATOM 1654 N GLU B 39 13.586 -0.265 23.598 1.00 0.00 N ATOM 1655 CA GLU B 39 14.057 0.649 24.644 1.00 0.00 C ATOM 1656 C GLU B 39 13.613 2.092 24.342 1.00 0.00 C ATOM 1657 O GLU B 39 13.720 2.563 23.206 1.00 0.00 O ATOM 1658 CB GLU B 39 15.585 0.531 24.793 1.00 0.00 C ATOM 1659 CG GLU B 39 16.211 1.382 25.909 1.00 0.00 C ATOM 1660 CD GLU B 39 15.846 0.936 27.344 1.00 0.00 C ATOM 1661 OE1 GLU B 39 15.222 -0.135 27.539 1.00 0.00 O ATOM 1662 OE2 GLU B 39 16.215 1.653 28.307 1.00 0.00 O1- ATOM 0 H GLU B 39 14.176 -0.245 22.766 1.00 0.00 H new ATOM 0 HA GLU B 39 13.608 0.370 25.597 1.00 0.00 H new ATOM 0 HB2 GLU B 39 15.835 -0.514 24.974 1.00 0.00 H new ATOM 0 HB3 GLU B 39 16.047 0.809 23.846 1.00 0.00 H new ATOM 0 HG2 GLU B 39 17.295 1.358 25.801 1.00 0.00 H new ATOM 0 HG3 GLU B 39 15.900 2.418 25.775 1.00 0.00 H new ATOM 1669 N GLU B 40 13.129 2.802 25.364 1.00 0.00 N ATOM 1670 CA GLU B 40 12.608 4.169 25.274 1.00 0.00 C ATOM 1671 C GLU B 40 13.365 5.130 26.211 1.00 0.00 C ATOM 1672 O GLU B 40 13.815 4.746 27.297 1.00 0.00 O ATOM 1673 CB GLU B 40 11.085 4.139 25.507 1.00 0.00 C ATOM 1674 CG GLU B 40 10.362 5.494 25.380 1.00 0.00 C ATOM 1675 CD GLU B 40 10.099 6.245 26.702 1.00 0.00 C ATOM 1676 OE1 GLU B 40 9.192 7.115 26.710 1.00 0.00 O ATOM 1677 OE2 GLU B 40 10.742 5.965 27.744 1.00 0.00 O1- ATOM 0 H GLU B 40 13.087 2.427 26.312 1.00 0.00 H new ATOM 0 HA GLU B 40 12.780 4.569 24.275 1.00 0.00 H new ATOM 0 HB2 GLU B 40 10.641 3.443 24.795 1.00 0.00 H new ATOM 0 HB3 GLU B 40 10.896 3.740 26.503 1.00 0.00 H new ATOM 0 HG2 GLU B 40 10.953 6.139 24.730 1.00 0.00 H new ATOM 0 HG3 GLU B 40 9.406 5.329 24.882 1.00 0.00 H new ATOM 1684 N HIS B 41 13.513 6.381 25.766 1.00 0.00 N ATOM 1685 CA HIS B 41 14.289 7.445 26.417 1.00 0.00 C ATOM 1686 C HIS B 41 13.451 8.719 26.580 1.00 0.00 C ATOM 1687 O HIS B 41 12.527 8.965 25.799 1.00 0.00 O ATOM 1688 CB HIS B 41 15.550 7.740 25.590 1.00 0.00 C ATOM 1689 CG HIS B 41 16.366 6.533 25.202 1.00 0.00 C ATOM 1690 ND1 HIS B 41 17.309 5.895 26.012 1.00 0.00 N ATOM 1691 CD2 HIS B 41 16.300 5.885 24.005 1.00 0.00 C ATOM 1692 CE1 HIS B 41 17.786 4.865 25.286 1.00 0.00 C ATOM 1693 NE2 HIS B 41 17.192 4.834 24.079 1.00 0.00 N ATOM 0 H HIS B 41 13.075 6.696 24.901 1.00 0.00 H new ATOM 0 HA HIS B 41 14.578 7.106 27.412 1.00 0.00 H new ATOM 0 HB2 HIS B 41 15.254 8.264 24.682 1.00 0.00 H new ATOM 0 HB3 HIS B 41 16.185 8.420 26.158 1.00 0.00 H new ATOM 0 HD2 HIS B 41 15.673 6.143 23.164 1.00 0.00 H new ATOM 0 HE1 HIS B 41 18.536 4.166 25.624 1.00 0.00 H new ATOM 0 HE2 HIS B 41 17.370 4.150 23.344 1.00 0.00 H new ATOM 1701 N ALA B 42 13.814 9.564 27.550 1.00 0.00 N ATOM 1702 CA ALA B 42 13.162 10.846 27.831 1.00 0.00 C ATOM 1703 C ALA B 42 14.181 11.930 28.240 1.00 0.00 C ATOM 1704 O ALA B 42 15.118 11.663 28.998 1.00 0.00 O ATOM 1705 CB ALA B 42 12.094 10.637 28.909 1.00 0.00 C ATOM 0 H ALA B 42 14.592 9.369 28.180 1.00 0.00 H new ATOM 0 HA ALA B 42 12.684 11.208 26.921 1.00 0.00 H new ATOM 0 HB1 ALA B 42 11.604 11.586 29.124 1.00 0.00 H new ATOM 0 HB2 ALA B 42 11.355 9.919 28.554 1.00 0.00 H new ATOM 0 HB3 ALA B 42 12.563 10.257 29.817 1.00 0.00 H new ATOM 1711 N PHE B 43 13.969 13.159 27.755 1.00 0.00 N ATOM 1712 CA PHE B 43 14.874 14.300 27.893 1.00 0.00 C ATOM 1713 C PHE B 43 14.087 15.594 28.186 1.00 0.00 C ATOM 1714 O PHE B 43 13.630 16.269 27.253 1.00 0.00 O ATOM 1715 CB PHE B 43 15.738 14.412 26.622 1.00 0.00 C ATOM 1716 CG PHE B 43 16.524 13.161 26.277 1.00 0.00 C ATOM 1717 CD1 PHE B 43 16.083 12.316 25.238 1.00 0.00 C ATOM 1718 CD2 PHE B 43 17.681 12.825 27.008 1.00 0.00 C ATOM 1719 CE1 PHE B 43 16.796 11.141 24.942 1.00 0.00 C ATOM 1720 CE2 PHE B 43 18.386 11.645 26.712 1.00 0.00 C ATOM 1721 CZ PHE B 43 17.942 10.797 25.685 1.00 0.00 C ATOM 0 H PHE B 43 13.124 13.393 27.233 1.00 0.00 H new ATOM 0 HA PHE B 43 15.537 14.146 28.744 1.00 0.00 H new ATOM 0 HB2 PHE B 43 15.092 14.662 25.781 1.00 0.00 H new ATOM 0 HB3 PHE B 43 16.436 15.240 26.745 1.00 0.00 H new ATOM 0 HD1 PHE B 43 15.200 12.571 24.671 1.00 0.00 H new ATOM 0 HD2 PHE B 43 18.027 13.476 27.798 1.00 0.00 H new ATOM 0 HE1 PHE B 43 16.463 10.498 24.140 1.00 0.00 H new ATOM 0 HE2 PHE B 43 19.271 11.390 27.276 1.00 0.00 H new ATOM 0 HZ PHE B 43 18.477 9.885 25.466 1.00 0.00 H new ATOM 1731 N PRO B 44 13.885 15.947 29.471 1.00 0.00 N ATOM 1732 CA PRO B 44 13.217 17.187 29.876 1.00 0.00 C ATOM 1733 C PRO B 44 13.947 18.464 29.431 1.00 0.00 C ATOM 1734 O PRO B 44 15.177 18.501 29.332 1.00 0.00 O ATOM 1735 CB PRO B 44 13.070 17.110 31.399 1.00 0.00 C ATOM 1736 CG PRO B 44 13.154 15.618 31.697 1.00 0.00 C ATOM 1737 CD PRO B 44 14.134 15.116 30.643 1.00 0.00 C ATOM 0 HA PRO B 44 12.249 17.263 29.380 1.00 0.00 H new ATOM 0 HB2 PRO B 44 13.860 17.664 31.906 1.00 0.00 H new ATOM 0 HB3 PRO B 44 12.121 17.532 31.731 1.00 0.00 H new ATOM 0 HG2 PRO B 44 13.515 15.427 32.708 1.00 0.00 H new ATOM 0 HG3 PRO B 44 12.182 15.133 31.609 1.00 0.00 H new ATOM 0 HD2 PRO B 44 15.165 15.213 30.984 1.00 0.00 H new ATOM 0 HD3 PRO B 44 13.970 14.061 30.421 1.00 0.00 H new ATOM 1745 N GLY B 45 13.170 19.517 29.170 1.00 0.00 N ATOM 1746 CA GLY B 45 13.642 20.843 28.757 1.00 0.00 C ATOM 1747 C GLY B 45 13.995 20.965 27.271 1.00 0.00 C ATOM 1748 O GLY B 45 14.404 22.043 26.837 1.00 0.00 O ATOM 0 H GLY B 45 12.154 19.469 29.243 1.00 0.00 H new ATOM 0 HA2 GLY B 45 12.872 21.577 28.995 1.00 0.00 H new ATOM 0 HA3 GLY B 45 14.521 21.100 29.347 1.00 0.00 H new ATOM 1752 N LEU B 46 13.825 19.901 26.478 1.00 0.00 N ATOM 1753 CA LEU B 46 14.065 19.893 25.033 1.00 0.00 C ATOM 1754 C LEU B 46 12.767 19.968 24.207 1.00 0.00 C ATOM 1755 O LEU B 46 11.676 19.646 24.681 1.00 0.00 O ATOM 1756 CB LEU B 46 14.897 18.658 24.633 1.00 0.00 C ATOM 1757 CG LEU B 46 16.271 18.528 25.317 1.00 0.00 C ATOM 1758 CD1 LEU B 46 17.021 17.347 24.702 1.00 0.00 C ATOM 1759 CD2 LEU B 46 17.161 19.760 25.134 1.00 0.00 C ATOM 0 H LEU B 46 13.508 18.999 26.834 1.00 0.00 H new ATOM 0 HA LEU B 46 14.630 20.796 24.802 1.00 0.00 H new ATOM 0 HB2 LEU B 46 14.315 17.763 24.855 1.00 0.00 H new ATOM 0 HB3 LEU B 46 15.049 18.679 23.554 1.00 0.00 H new ATOM 0 HG LEU B 46 16.073 18.400 26.381 1.00 0.00 H new ATOM 0 HD11 LEU B 46 17.996 17.246 25.180 1.00 0.00 H new ATOM 0 HD12 LEU B 46 16.447 16.433 24.853 1.00 0.00 H new ATOM 0 HD13 LEU B 46 17.156 17.518 23.634 1.00 0.00 H new ATOM 0 HD21 LEU B 46 18.113 19.600 25.641 1.00 0.00 H new ATOM 0 HD22 LEU B 46 17.339 19.925 24.071 1.00 0.00 H new ATOM 0 HD23 LEU B 46 16.666 20.633 25.559 1.00 0.00 H new ATOM 1771 N ALA B 47 12.933 20.324 22.933 1.00 0.00 N ATOM 1772 CA ALA B 47 11.973 20.218 21.831 1.00 0.00 C ATOM 1773 C ALA B 47 12.704 19.797 20.536 1.00 0.00 C ATOM 1774 O ALA B 47 13.923 19.966 20.414 1.00 0.00 O ATOM 1775 CB ALA B 47 11.243 21.553 21.675 1.00 0.00 C ATOM 0 H ALA B 47 13.815 20.728 22.618 1.00 0.00 H new ATOM 0 HA ALA B 47 11.230 19.450 22.045 1.00 0.00 H new ATOM 0 HB1 ALA B 47 10.527 21.482 20.857 1.00 0.00 H new ATOM 0 HB2 ALA B 47 10.716 21.790 22.599 1.00 0.00 H new ATOM 0 HB3 ALA B 47 11.966 22.340 21.458 1.00 0.00 H new ATOM 1781 N ILE B 48 11.980 19.242 19.559 1.00 0.00 N ATOM 1782 CA ILE B 48 12.550 18.854 18.253 1.00 0.00 C ATOM 1783 C ILE B 48 12.893 20.116 17.448 1.00 0.00 C ATOM 1784 O ILE B 48 12.013 20.926 17.150 1.00 0.00 O ATOM 1785 CB ILE B 48 11.613 17.897 17.473 1.00 0.00 C ATOM 1786 CG1 ILE B 48 11.337 16.587 18.248 1.00 0.00 C ATOM 1787 CG2 ILE B 48 12.217 17.559 16.096 1.00 0.00 C ATOM 1788 CD1 ILE B 48 10.070 15.866 17.774 1.00 0.00 C ATOM 0 H ILE B 48 10.983 19.047 19.645 1.00 0.00 H new ATOM 0 HA ILE B 48 13.469 18.294 18.425 1.00 0.00 H new ATOM 0 HB ILE B 48 10.664 18.418 17.344 1.00 0.00 H new ATOM 0 HG12 ILE B 48 12.191 15.919 18.137 1.00 0.00 H new ATOM 0 HG13 ILE B 48 11.244 16.813 19.310 1.00 0.00 H new ATOM 0 HG21 ILE B 48 11.547 16.886 15.560 1.00 0.00 H new ATOM 0 HG22 ILE B 48 12.347 18.476 15.521 1.00 0.00 H new ATOM 0 HG23 ILE B 48 13.185 17.076 16.232 1.00 0.00 H new ATOM 0 HD11 ILE B 48 9.931 14.955 18.356 1.00 0.00 H new ATOM 0 HD12 ILE B 48 9.208 16.519 17.910 1.00 0.00 H new ATOM 0 HD13 ILE B 48 10.169 15.611 16.719 1.00 0.00 H new ATOM 1800 N GLY B 49 14.177 20.292 17.112 1.00 0.00 N ATOM 1801 CA GLY B 49 14.697 21.465 16.404 1.00 0.00 C ATOM 1802 C GLY B 49 14.662 21.318 14.882 1.00 0.00 C ATOM 1803 O GLY B 49 14.169 22.212 14.187 1.00 0.00 O ATOM 0 H GLY B 49 14.899 19.606 17.331 1.00 0.00 H new ATOM 0 HA2 GLY B 49 14.115 22.341 16.691 1.00 0.00 H new ATOM 0 HA3 GLY B 49 15.724 21.646 16.721 1.00 0.00 H new ATOM 1807 N ARG B 50 15.155 20.185 14.363 1.00 0.00 N ATOM 1808 CA ARG B 50 15.177 19.882 12.919 1.00 0.00 C ATOM 1809 C ARG B 50 15.153 18.380 12.614 1.00 0.00 C ATOM 1810 O ARG B 50 15.550 17.558 13.441 1.00 0.00 O ATOM 1811 CB ARG B 50 16.395 20.566 12.248 1.00 0.00 C ATOM 1812 CG ARG B 50 17.755 19.924 12.592 1.00 0.00 C ATOM 1813 CD ARG B 50 18.363 19.089 11.452 1.00 0.00 C ATOM 1814 NE ARG B 50 18.908 19.948 10.378 1.00 0.00 N ATOM 1815 CZ ARG B 50 20.160 20.315 10.191 1.00 0.00 C ATOM 1816 NH1 ARG B 50 21.132 19.986 10.994 1.00 0.00 N1+ ATOM 1817 NH2 ARG B 50 20.445 21.046 9.158 1.00 0.00 N ATOM 0 H ARG B 50 15.555 19.443 14.937 1.00 0.00 H new ATOM 0 HA ARG B 50 14.257 20.288 12.497 1.00 0.00 H new ATOM 0 HB2 ARG B 50 16.259 20.543 11.167 1.00 0.00 H new ATOM 0 HB3 ARG B 50 16.416 21.615 12.544 1.00 0.00 H new ATOM 0 HG2 ARG B 50 18.457 20.711 12.865 1.00 0.00 H new ATOM 0 HG3 ARG B 50 17.633 19.288 13.468 1.00 0.00 H new ATOM 0 HD2 ARG B 50 19.155 18.454 11.848 1.00 0.00 H new ATOM 0 HD3 ARG B 50 17.601 18.428 11.039 1.00 0.00 H new ATOM 0 HE ARG B 50 18.232 20.299 9.699 1.00 0.00 H new ATOM 0 HH11 ARG B 50 20.942 19.415 11.818 1.00 0.00 H new ATOM 0 HH12 ARG B 50 22.083 20.299 10.799 1.00 0.00 H new ATOM 0 HH21 ARG B 50 19.707 21.325 8.511 1.00 0.00 H new ATOM 0 HH22 ARG B 50 21.407 21.342 8.993 1.00 0.00 H new ATOM 1831 N VAL B 51 14.761 18.059 11.383 1.00 0.00 N ATOM 1832 CA VAL B 51 14.811 16.723 10.772 1.00 0.00 C ATOM 1833 C VAL B 51 15.455 16.866 9.387 1.00 0.00 C ATOM 1834 O VAL B 51 14.860 17.465 8.493 1.00 0.00 O ATOM 1835 CB VAL B 51 13.401 16.103 10.661 1.00 0.00 C ATOM 1836 CG1 VAL B 51 13.488 14.650 10.175 1.00 0.00 C ATOM 1837 CG2 VAL B 51 12.627 16.131 11.985 1.00 0.00 C ATOM 0 H VAL B 51 14.378 18.758 10.747 1.00 0.00 H new ATOM 0 HA VAL B 51 15.400 16.052 11.397 1.00 0.00 H new ATOM 0 HB VAL B 51 12.859 16.717 9.941 1.00 0.00 H new ATOM 0 HG11 VAL B 51 12.485 14.230 10.103 1.00 0.00 H new ATOM 0 HG12 VAL B 51 13.964 14.622 9.195 1.00 0.00 H new ATOM 0 HG13 VAL B 51 14.077 14.065 10.881 1.00 0.00 H new ATOM 0 HG21 VAL B 51 11.644 15.681 11.842 1.00 0.00 H new ATOM 0 HG22 VAL B 51 13.177 15.569 12.740 1.00 0.00 H new ATOM 0 HG23 VAL B 51 12.509 17.163 12.316 1.00 0.00 H new ATOM 1847 N ASP B 52 16.675 16.356 9.213 1.00 0.00 N ATOM 1848 CA ASP B 52 17.422 16.393 7.946 1.00 0.00 C ATOM 1849 C ASP B 52 17.368 15.027 7.229 1.00 0.00 C ATOM 1850 O ASP B 52 18.095 14.097 7.583 1.00 0.00 O ATOM 1851 CB ASP B 52 18.873 16.814 8.224 1.00 0.00 C ATOM 1852 CG ASP B 52 19.747 16.828 6.958 1.00 0.00 C ATOM 1853 OD1 ASP B 52 19.202 16.971 5.840 1.00 0.00 O ATOM 1854 OD2 ASP B 52 20.987 16.705 7.077 1.00 0.00 O1- ATOM 0 H ASP B 52 17.187 15.894 9.964 1.00 0.00 H new ATOM 0 HA ASP B 52 16.960 17.124 7.282 1.00 0.00 H new ATOM 0 HB2 ASP B 52 18.878 17.807 8.673 1.00 0.00 H new ATOM 0 HB3 ASP B 52 19.310 16.132 8.953 1.00 0.00 H new ATOM 1859 N LEU B 53 16.506 14.893 6.217 1.00 0.00 N ATOM 1860 CA LEU B 53 16.296 13.645 5.472 1.00 0.00 C ATOM 1861 C LEU B 53 17.432 13.320 4.483 1.00 0.00 C ATOM 1862 O LEU B 53 17.521 12.190 4.006 1.00 0.00 O ATOM 1863 CB LEU B 53 14.924 13.653 4.760 1.00 0.00 C ATOM 1864 CG LEU B 53 13.653 13.764 5.635 1.00 0.00 C ATOM 1865 CD1 LEU B 53 13.662 12.766 6.796 1.00 0.00 C ATOM 1866 CD2 LEU B 53 13.381 15.162 6.197 1.00 0.00 C ATOM 0 H LEU B 53 15.923 15.662 5.885 1.00 0.00 H new ATOM 0 HA LEU B 53 16.305 12.844 6.212 1.00 0.00 H new ATOM 0 HB2 LEU B 53 14.918 14.485 4.055 1.00 0.00 H new ATOM 0 HB3 LEU B 53 14.847 12.738 4.173 1.00 0.00 H new ATOM 0 HG LEU B 53 12.847 13.529 4.940 1.00 0.00 H new ATOM 0 HD11 LEU B 53 12.750 12.881 7.382 1.00 0.00 H new ATOM 0 HD12 LEU B 53 13.715 11.751 6.403 1.00 0.00 H new ATOM 0 HD13 LEU B 53 14.528 12.954 7.431 1.00 0.00 H new ATOM 0 HD21 LEU B 53 12.471 15.142 6.797 1.00 0.00 H new ATOM 0 HD22 LEU B 53 14.219 15.473 6.820 1.00 0.00 H new ATOM 0 HD23 LEU B 53 13.259 15.867 5.375 1.00 0.00 H new ATOM 1878 N ARG B 54 18.338 14.271 4.214 1.00 0.00 N ATOM 1879 CA ARG B 54 19.559 14.051 3.414 1.00 0.00 C ATOM 1880 C ARG B 54 20.571 13.140 4.123 1.00 0.00 C ATOM 1881 O ARG B 54 21.358 12.464 3.456 1.00 0.00 O ATOM 1882 CB ARG B 54 20.236 15.394 3.075 1.00 0.00 C ATOM 1883 CG ARG B 54 19.311 16.491 2.518 1.00 0.00 C ATOM 1884 CD ARG B 54 20.131 17.755 2.239 1.00 0.00 C ATOM 1885 NE ARG B 54 19.299 18.971 2.192 1.00 0.00 N ATOM 1886 CZ ARG B 54 18.989 19.730 3.229 1.00 0.00 C ATOM 1887 NH1 ARG B 54 19.220 19.402 4.463 1.00 0.00 N1+ ATOM 1888 NH2 ARG B 54 18.414 20.883 3.078 1.00 0.00 N ATOM 0 H ARG B 54 18.245 15.230 4.549 1.00 0.00 H new ATOM 0 HA ARG B 54 19.242 13.552 2.498 1.00 0.00 H new ATOM 0 HB2 ARG B 54 20.717 15.774 3.976 1.00 0.00 H new ATOM 0 HB3 ARG B 54 21.026 15.207 2.347 1.00 0.00 H new ATOM 0 HG2 ARG B 54 18.830 16.146 1.602 1.00 0.00 H new ATOM 0 HG3 ARG B 54 18.517 16.710 3.232 1.00 0.00 H new ATOM 0 HD2 ARG B 54 20.891 17.869 3.012 1.00 0.00 H new ATOM 0 HD3 ARG B 54 20.656 17.641 1.290 1.00 0.00 H new ATOM 0 HE ARG B 54 18.931 19.250 1.282 1.00 0.00 H new ATOM 0 HH11 ARG B 54 19.667 18.511 4.679 1.00 0.00 H new ATOM 0 HH12 ARG B 54 18.955 20.035 5.217 1.00 0.00 H new ATOM 0 HH21 ARG B 54 18.191 21.223 2.143 1.00 0.00 H new ATOM 0 HH22 ARG B 54 18.185 21.450 3.895 1.00 0.00 H new ATOM 1902 N SER B 55 20.554 13.113 5.460 1.00 0.00 N ATOM 1903 CA SER B 55 21.482 12.347 6.317 1.00 0.00 C ATOM 1904 C SER B 55 20.799 11.423 7.339 1.00 0.00 C ATOM 1905 O SER B 55 21.453 10.537 7.897 1.00 0.00 O ATOM 1906 CB SER B 55 22.405 13.326 7.062 1.00 0.00 C ATOM 1907 OG SER B 55 21.669 14.105 7.993 1.00 0.00 O ATOM 0 H SER B 55 19.870 13.642 6.001 1.00 0.00 H new ATOM 0 HA SER B 55 22.039 11.693 5.646 1.00 0.00 H new ATOM 0 HB2 SER B 55 23.186 12.772 7.582 1.00 0.00 H new ATOM 0 HB3 SER B 55 22.902 13.981 6.346 1.00 0.00 H new ATOM 0 HG SER B 55 21.475 14.983 7.604 1.00 0.00 H new ATOM 1913 N GLY B 56 19.498 11.607 7.597 1.00 0.00 N ATOM 1914 CA GLY B 56 18.736 10.882 8.618 1.00 0.00 C ATOM 1915 C GLY B 56 18.929 11.419 10.043 1.00 0.00 C ATOM 1916 O GLY B 56 18.590 10.723 11.002 1.00 0.00 O ATOM 0 H GLY B 56 18.932 12.284 7.086 1.00 0.00 H new ATOM 0 HA2 GLY B 56 17.677 10.926 8.365 1.00 0.00 H new ATOM 0 HA3 GLY B 56 19.026 9.832 8.595 1.00 0.00 H new ATOM 1920 N VAL B 57 19.485 12.628 10.215 1.00 0.00 N ATOM 1921 CA VAL B 57 19.726 13.243 11.532 1.00 0.00 C ATOM 1922 C VAL B 57 18.516 14.058 12.007 1.00 0.00 C ATOM 1923 O VAL B 57 18.088 15.011 11.352 1.00 0.00 O ATOM 1924 CB VAL B 57 21.008 14.095 11.524 1.00 0.00 C ATOM 1925 CG1 VAL B 57 21.220 14.840 12.848 1.00 0.00 C ATOM 1926 CG2 VAL B 57 22.241 13.203 11.322 1.00 0.00 C ATOM 0 H VAL B 57 19.784 13.214 9.435 1.00 0.00 H new ATOM 0 HA VAL B 57 19.871 12.433 12.247 1.00 0.00 H new ATOM 0 HB VAL B 57 20.888 14.811 10.711 1.00 0.00 H new ATOM 0 HG11 VAL B 57 22.137 15.427 12.793 1.00 0.00 H new ATOM 0 HG12 VAL B 57 20.375 15.504 13.031 1.00 0.00 H new ATOM 0 HG13 VAL B 57 21.299 14.120 13.662 1.00 0.00 H new ATOM 0 HG21 VAL B 57 23.140 13.820 11.319 1.00 0.00 H new ATOM 0 HG22 VAL B 57 22.302 12.477 12.133 1.00 0.00 H new ATOM 0 HG23 VAL B 57 22.158 12.678 10.371 1.00 0.00 H new ATOM 1936 N ILE B 58 18.009 13.717 13.186 1.00 0.00 N ATOM 1937 CA ILE B 58 17.099 14.525 14.009 1.00 0.00 C ATOM 1938 C ILE B 58 17.948 15.261 15.053 1.00 0.00 C ATOM 1939 O ILE B 58 18.767 14.631 15.724 1.00 0.00 O ATOM 1940 CB ILE B 58 16.036 13.605 14.662 1.00 0.00 C ATOM 1941 CG1 ILE B 58 15.107 13.005 13.583 1.00 0.00 C ATOM 1942 CG2 ILE B 58 15.223 14.345 15.745 1.00 0.00 C ATOM 1943 CD1 ILE B 58 14.219 11.859 14.086 1.00 0.00 C ATOM 0 H ILE B 58 18.230 12.822 13.622 1.00 0.00 H new ATOM 0 HA ILE B 58 16.560 15.259 13.410 1.00 0.00 H new ATOM 0 HB ILE B 58 16.562 12.790 15.159 1.00 0.00 H new ATOM 0 HG12 ILE B 58 14.471 13.796 13.186 1.00 0.00 H new ATOM 0 HG13 ILE B 58 15.717 12.642 12.756 1.00 0.00 H new ATOM 0 HG21 ILE B 58 14.489 13.665 16.177 1.00 0.00 H new ATOM 0 HG22 ILE B 58 15.895 14.698 16.527 1.00 0.00 H new ATOM 0 HG23 ILE B 58 14.709 15.195 15.297 1.00 0.00 H new ATOM 0 HD11 ILE B 58 13.598 11.494 13.268 1.00 0.00 H new ATOM 0 HD12 ILE B 58 14.846 11.048 14.455 1.00 0.00 H new ATOM 0 HD13 ILE B 58 13.581 12.220 14.893 1.00 0.00 H new ATOM 1955 N SER B 59 17.754 16.568 15.224 1.00 0.00 N ATOM 1956 CA SER B 59 18.484 17.360 16.228 1.00 0.00 C ATOM 1957 C SER B 59 17.524 18.045 17.194 1.00 0.00 C ATOM 1958 O SER B 59 16.539 18.650 16.765 1.00 0.00 O ATOM 1959 CB SER B 59 19.407 18.379 15.557 1.00 0.00 C ATOM 1960 OG SER B 59 20.332 18.894 16.503 1.00 0.00 O ATOM 0 H SER B 59 17.089 17.112 14.674 1.00 0.00 H new ATOM 0 HA SER B 59 19.104 16.674 16.806 1.00 0.00 H new ATOM 0 HB2 SER B 59 19.942 17.909 14.732 1.00 0.00 H new ATOM 0 HB3 SER B 59 18.817 19.192 15.133 1.00 0.00 H new ATOM 0 HG SER B 59 20.920 19.544 16.065 1.00 0.00 H new ATOM 1966 N LEU B 60 17.806 17.956 18.494 1.00 0.00 N ATOM 1967 CA LEU B 60 17.011 18.563 19.564 1.00 0.00 C ATOM 1968 C LEU B 60 17.618 19.894 20.043 1.00 0.00 C ATOM 1969 O LEU B 60 18.841 20.077 20.037 1.00 0.00 O ATOM 1970 CB LEU B 60 16.837 17.579 20.729 1.00 0.00 C ATOM 1971 CG LEU B 60 16.369 16.165 20.351 1.00 0.00 C ATOM 1972 CD1 LEU B 60 16.104 15.377 21.637 1.00 0.00 C ATOM 1973 CD2 LEU B 60 15.087 16.156 19.508 1.00 0.00 C ATOM 0 H LEU B 60 18.617 17.445 18.843 1.00 0.00 H new ATOM 0 HA LEU B 60 16.026 18.791 19.158 1.00 0.00 H new ATOM 0 HB2 LEU B 60 17.788 17.497 21.255 1.00 0.00 H new ATOM 0 HB3 LEU B 60 16.120 18.002 21.432 1.00 0.00 H new ATOM 0 HG LEU B 60 17.159 15.716 19.749 1.00 0.00 H new ATOM 0 HD11 LEU B 60 15.771 14.370 21.385 1.00 0.00 H new ATOM 0 HD12 LEU B 60 17.021 15.319 22.224 1.00 0.00 H new ATOM 0 HD13 LEU B 60 15.332 15.880 22.219 1.00 0.00 H new ATOM 0 HD21 LEU B 60 14.812 15.127 19.276 1.00 0.00 H new ATOM 0 HD22 LEU B 60 14.280 16.630 20.067 1.00 0.00 H new ATOM 0 HD23 LEU B 60 15.257 16.704 18.581 1.00 0.00 H new ATOM 1985 N ILE B 61 16.751 20.801 20.497 1.00 0.00 N ATOM 1986 CA ILE B 61 17.087 22.141 21.018 1.00 0.00 C ATOM 1987 C ILE B 61 16.367 22.407 22.343 1.00 0.00 C ATOM 1988 O ILE B 61 15.382 21.740 22.661 1.00 0.00 O ATOM 1989 CB ILE B 61 16.817 23.233 19.949 1.00 0.00 C ATOM 1990 CG1 ILE B 61 15.365 23.292 19.411 1.00 0.00 C ATOM 1991 CG2 ILE B 61 17.789 23.057 18.768 1.00 0.00 C ATOM 1992 CD1 ILE B 61 14.379 24.062 20.291 1.00 0.00 C ATOM 0 H ILE B 61 15.747 20.620 20.515 1.00 0.00 H new ATOM 0 HA ILE B 61 18.155 22.178 21.234 1.00 0.00 H new ATOM 0 HB ILE B 61 16.977 24.180 20.465 1.00 0.00 H new ATOM 0 HG12 ILE B 61 15.379 23.749 18.422 1.00 0.00 H new ATOM 0 HG13 ILE B 61 14.998 22.273 19.287 1.00 0.00 H new ATOM 0 HG21 ILE B 61 17.596 23.826 18.020 1.00 0.00 H new ATOM 0 HG22 ILE B 61 18.815 23.148 19.125 1.00 0.00 H new ATOM 0 HG23 ILE B 61 17.645 22.073 18.322 1.00 0.00 H new ATOM 0 HD11 ILE B 61 13.391 24.047 19.830 1.00 0.00 H new ATOM 0 HD12 ILE B 61 14.328 23.595 21.275 1.00 0.00 H new ATOM 0 HD13 ILE B 61 14.714 25.094 20.396 1.00 0.00 H new ATOM 2004 N GLU B 62 16.848 23.367 23.133 1.00 0.00 N ATOM 2005 CA GLU B 62 16.200 23.754 24.399 1.00 0.00 C ATOM 2006 C GLU B 62 14.871 24.493 24.154 1.00 0.00 C ATOM 2007 O GLU B 62 14.803 25.407 23.332 1.00 0.00 O ATOM 2008 CB GLU B 62 17.137 24.607 25.271 1.00 0.00 C ATOM 2009 CG GLU B 62 18.402 23.846 25.690 1.00 0.00 C ATOM 2010 CD GLU B 62 19.292 24.682 26.623 1.00 0.00 C ATOM 2011 OE1 GLU B 62 20.514 24.803 26.358 1.00 0.00 O ATOM 2012 OE2 GLU B 62 18.797 25.190 27.662 1.00 0.00 O1- ATOM 0 H GLU B 62 17.692 23.899 22.921 1.00 0.00 H new ATOM 0 HA GLU B 62 15.978 22.833 24.937 1.00 0.00 H new ATOM 0 HB2 GLU B 62 17.422 25.505 24.723 1.00 0.00 H new ATOM 0 HB3 GLU B 62 16.601 24.934 26.162 1.00 0.00 H new ATOM 0 HG2 GLU B 62 18.119 22.920 26.191 1.00 0.00 H new ATOM 0 HG3 GLU B 62 18.969 23.567 24.802 1.00 0.00 H new ATOM 2019 N GLU B 63 13.808 24.114 24.869 1.00 0.00 N ATOM 2020 CA GLU B 63 12.442 24.625 24.659 1.00 0.00 C ATOM 2021 C GLU B 63 12.224 26.071 25.159 1.00 0.00 C ATOM 2022 O GLU B 63 11.368 26.784 24.623 1.00 0.00 O ATOM 2023 CB GLU B 63 11.439 23.622 25.255 1.00 0.00 C ATOM 2024 CG GLU B 63 11.429 23.504 26.796 1.00 0.00 C ATOM 2025 CD GLU B 63 10.261 24.226 27.500 1.00 0.00 C ATOM 2026 OE1 GLU B 63 9.634 25.145 26.927 1.00 0.00 O ATOM 2027 OE2 GLU B 63 9.999 23.909 28.687 1.00 0.00 O1- ATOM 0 H GLU B 63 13.869 23.431 25.625 1.00 0.00 H new ATOM 0 HA GLU B 63 12.273 24.704 23.585 1.00 0.00 H new ATOM 0 HB2 GLU B 63 10.438 23.901 24.926 1.00 0.00 H new ATOM 0 HB3 GLU B 63 11.649 22.637 24.837 1.00 0.00 H new ATOM 0 HG2 GLU B 63 11.397 22.448 27.064 1.00 0.00 H new ATOM 0 HG3 GLU B 63 12.367 23.903 27.182 1.00 0.00 H new