USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 828 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 2 CYS SG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 176:sc= 1.24 (180deg=1.21) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.00733 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 180:sc= -0.0424 (180deg=-0.0424) USER MOD Single : B 5 LYS NZ :NH3+ -178:sc= 1.25 (180deg=1.25) USER MOD Single : B 34 THR OG1 : rot -160:sc= 1.05 USER MOD Single : B 35 THR OG1 : rot 180:sc= 0.0345 USER MOD Single : B 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N CYS A 2 4.913 11.773 0.280 1.00 0.00 N ATOM 60 CA CYS A 2 4.443 13.151 0.453 1.00 0.00 C ATOM 61 C CYS A 2 5.496 14.175 -0.022 1.00 0.00 C ATOM 62 O CYS A 2 6.690 13.876 -0.098 1.00 0.00 O ATOM 63 CB CYS A 2 4.067 13.395 1.924 1.00 0.00 C ATOM 64 SG CYS A 2 2.845 12.280 2.660 1.00 0.00 S ATOM 0 HA CYS A 2 3.557 13.289 -0.167 1.00 0.00 H new ATOM 0 HB2 CYS A 2 4.978 13.339 2.520 1.00 0.00 H new ATOM 0 HB3 CYS A 2 3.691 14.414 2.012 1.00 0.00 H new ATOM 0 HG CYS A 2 2.641 12.617 3.899 1.00 0.00 H new ATOM 69 N MET A 3 5.047 15.404 -0.287 1.00 0.00 N ATOM 70 CA MET A 3 5.892 16.586 -0.516 1.00 0.00 C ATOM 71 C MET A 3 5.163 17.866 -0.080 1.00 0.00 C ATOM 72 O MET A 3 3.932 17.882 0.051 1.00 0.00 O ATOM 73 CB MET A 3 6.359 16.641 -1.985 1.00 0.00 C ATOM 74 CG MET A 3 5.257 16.947 -2.999 1.00 0.00 C ATOM 75 SD MET A 3 5.884 17.026 -4.694 1.00 0.00 S ATOM 76 CE MET A 3 4.371 17.517 -5.557 1.00 0.00 C ATOM 0 H MET A 3 4.051 15.614 -0.351 1.00 0.00 H new ATOM 0 HA MET A 3 6.788 16.508 0.100 1.00 0.00 H new ATOM 0 HB2 MET A 3 7.137 17.399 -2.076 1.00 0.00 H new ATOM 0 HB3 MET A 3 6.814 15.685 -2.242 1.00 0.00 H new ATOM 0 HG2 MET A 3 4.485 16.180 -2.935 1.00 0.00 H new ATOM 0 HG3 MET A 3 4.785 17.896 -2.744 1.00 0.00 H new ATOM 0 HE1 MET A 3 4.575 17.613 -6.623 1.00 0.00 H new ATOM 0 HE2 MET A 3 3.602 16.760 -5.402 1.00 0.00 H new ATOM 0 HE3 MET A 3 4.023 18.473 -5.166 1.00 0.00 H new ATOM 86 N ALA A 4 5.915 18.939 0.158 1.00 0.00 N ATOM 87 CA ALA A 4 5.421 20.202 0.718 1.00 0.00 C ATOM 88 C ALA A 4 5.998 21.432 0.002 1.00 0.00 C ATOM 89 O ALA A 4 6.821 21.304 -0.910 1.00 0.00 O ATOM 90 CB ALA A 4 5.790 20.209 2.207 1.00 0.00 C ATOM 0 H ALA A 4 6.916 18.957 -0.038 1.00 0.00 H new ATOM 0 HA ALA A 4 4.342 20.265 0.579 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.440 21.134 2.664 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.320 19.359 2.702 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.872 20.138 2.314 1.00 0.00 H new ATOM 96 N LYS A 5 5.613 22.631 0.452 1.00 0.00 N ATOM 97 CA LYS A 5 6.399 23.854 0.227 1.00 0.00 C ATOM 98 C LYS A 5 7.150 24.302 1.486 1.00 0.00 C ATOM 99 O LYS A 5 6.645 24.172 2.601 1.00 0.00 O ATOM 100 CB LYS A 5 5.554 24.975 -0.397 1.00 0.00 C ATOM 101 CG LYS A 5 4.507 25.596 0.540 1.00 0.00 C ATOM 102 CD LYS A 5 3.816 26.766 -0.169 1.00 0.00 C ATOM 103 CE LYS A 5 2.830 27.466 0.768 1.00 0.00 C ATOM 104 NZ LYS A 5 2.256 28.672 0.126 1.00 0.00 N1+ ATOM 0 H LYS A 5 4.753 22.783 0.980 1.00 0.00 H new ATOM 0 HA LYS A 5 7.167 23.608 -0.507 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.222 25.763 -0.744 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.044 24.579 -1.276 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.771 24.846 0.828 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.984 25.943 1.457 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.564 27.479 -0.515 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.290 26.402 -1.051 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.030 26.778 1.040 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.336 27.747 1.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 1.540 29.092 0.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.012 29.365 -0.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 1.813 28.407 -0.777 1.00 0.00 H new ATOM 118 N VAL A 6 8.348 24.858 1.302 1.00 0.00 N ATOM 119 CA VAL A 6 9.052 25.648 2.323 1.00 0.00 C ATOM 120 C VAL A 6 8.626 27.119 2.216 1.00 0.00 C ATOM 121 O VAL A 6 8.467 27.639 1.114 1.00 0.00 O ATOM 122 CB VAL A 6 10.581 25.471 2.201 1.00 0.00 C ATOM 123 CG1 VAL A 6 11.414 26.586 2.856 1.00 0.00 C ATOM 124 CG2 VAL A 6 10.996 24.153 2.861 1.00 0.00 C ATOM 0 H VAL A 6 8.867 24.773 0.428 1.00 0.00 H new ATOM 0 HA VAL A 6 8.777 25.288 3.314 1.00 0.00 H new ATOM 0 HB VAL A 6 10.784 25.495 1.130 1.00 0.00 H new ATOM 0 HG11 VAL A 6 12.475 26.376 2.719 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.171 27.542 2.392 1.00 0.00 H new ATOM 0 HG13 VAL A 6 11.187 26.631 3.921 1.00 0.00 H new ATOM 0 HG21 VAL A 6 12.075 24.027 2.775 1.00 0.00 H new ATOM 0 HG22 VAL A 6 10.715 24.169 3.914 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.493 23.323 2.364 1.00 0.00 H new ATOM 134 N VAL A 7 8.506 27.798 3.359 1.00 0.00 N ATOM 135 CA VAL A 7 8.349 29.259 3.474 1.00 0.00 C ATOM 136 C VAL A 7 9.337 29.828 4.502 1.00 0.00 C ATOM 137 O VAL A 7 9.561 29.236 5.562 1.00 0.00 O ATOM 138 CB VAL A 7 6.880 29.650 3.755 1.00 0.00 C ATOM 139 CG1 VAL A 7 6.325 29.060 5.057 1.00 0.00 C ATOM 140 CG2 VAL A 7 6.689 31.171 3.809 1.00 0.00 C ATOM 0 H VAL A 7 8.515 27.333 4.267 1.00 0.00 H new ATOM 0 HA VAL A 7 8.597 29.715 2.515 1.00 0.00 H new ATOM 0 HB VAL A 7 6.326 29.228 2.916 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.290 29.377 5.188 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.368 27.972 5.011 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.921 29.411 5.899 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.642 31.399 4.009 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.309 31.588 4.603 1.00 0.00 H new ATOM 0 HG23 VAL A 7 6.980 31.608 2.854 1.00 0.00 H new ATOM 150 N LEU A 8 9.934 30.978 4.186 1.00 0.00 N ATOM 151 CA LEU A 8 10.898 31.706 5.016 1.00 0.00 C ATOM 152 C LEU A 8 10.772 33.220 4.793 1.00 0.00 C ATOM 153 O LEU A 8 10.254 33.655 3.764 1.00 0.00 O ATOM 154 CB LEU A 8 12.318 31.169 4.741 1.00 0.00 C ATOM 155 CG LEU A 8 12.916 31.497 3.353 1.00 0.00 C ATOM 156 CD1 LEU A 8 13.763 32.775 3.377 1.00 0.00 C ATOM 157 CD2 LEU A 8 13.818 30.361 2.867 1.00 0.00 C ATOM 0 H LEU A 8 9.750 31.451 3.301 1.00 0.00 H new ATOM 0 HA LEU A 8 10.684 31.538 6.072 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.988 31.565 5.505 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.303 30.086 4.860 1.00 0.00 H new ATOM 0 HG LEU A 8 12.067 31.633 2.683 1.00 0.00 H new ATOM 0 HD11 LEU A 8 14.162 32.966 2.381 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.143 33.616 3.687 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.586 32.653 4.081 1.00 0.00 H new ATOM 0 HD21 LEU A 8 14.227 30.614 1.889 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.634 30.216 3.575 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.237 29.442 2.790 1.00 0.00 H new ATOM 265 N VAL A 16 9.902 34.488 1.047 1.00 0.00 N ATOM 266 CA VAL A 16 10.423 33.587 0.007 1.00 0.00 C ATOM 267 C VAL A 16 9.818 32.189 0.184 1.00 0.00 C ATOM 268 O VAL A 16 9.673 31.706 1.310 1.00 0.00 O ATOM 269 CB VAL A 16 11.972 33.544 0.045 1.00 0.00 C ATOM 270 CG1 VAL A 16 12.552 32.575 -0.992 1.00 0.00 C ATOM 271 CG2 VAL A 16 12.605 34.921 -0.186 1.00 0.00 C ATOM 0 HA VAL A 16 10.133 33.965 -0.973 1.00 0.00 H new ATOM 0 HB VAL A 16 12.217 33.197 1.049 1.00 0.00 H new ATOM 0 HG11 VAL A 16 13.640 32.580 -0.926 1.00 0.00 H new ATOM 0 HG12 VAL A 16 12.181 31.569 -0.797 1.00 0.00 H new ATOM 0 HG13 VAL A 16 12.247 32.886 -1.991 1.00 0.00 H new ATOM 0 HG21 VAL A 16 13.691 34.833 -0.149 1.00 0.00 H new ATOM 0 HG22 VAL A 16 12.305 35.300 -1.163 1.00 0.00 H new ATOM 0 HG23 VAL A 16 12.270 35.610 0.589 1.00 0.00 H new ATOM 281 N GLU A 17 9.456 31.529 -0.920 1.00 0.00 N ATOM 282 CA GLU A 17 8.809 30.207 -0.935 1.00 0.00 C ATOM 283 C GLU A 17 9.437 29.267 -1.978 1.00 0.00 C ATOM 284 O GLU A 17 9.885 29.713 -3.039 1.00 0.00 O ATOM 285 CB GLU A 17 7.294 30.343 -1.163 1.00 0.00 C ATOM 286 CG GLU A 17 6.590 31.057 0.000 1.00 0.00 C ATOM 287 CD GLU A 17 5.078 31.236 -0.209 1.00 0.00 C ATOM 288 OE1 GLU A 17 4.553 32.325 0.122 1.00 0.00 O ATOM 289 OE2 GLU A 17 4.396 30.293 -0.679 1.00 0.00 O1- ATOM 0 H GLU A 17 9.608 31.907 -1.855 1.00 0.00 H new ATOM 0 HA GLU A 17 8.973 29.757 0.044 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.116 30.895 -2.086 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.859 29.352 -1.295 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.757 30.491 0.916 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.046 32.036 0.143 1.00 0.00 H new ATOM 296 N ILE A 18 9.456 27.960 -1.678 1.00 0.00 N ATOM 297 CA ILE A 18 10.037 26.891 -2.521 1.00 0.00 C ATOM 298 C ILE A 18 9.048 25.721 -2.588 1.00 0.00 C ATOM 299 O ILE A 18 8.698 25.164 -1.548 1.00 0.00 O ATOM 300 CB ILE A 18 11.408 26.422 -1.972 1.00 0.00 C ATOM 301 CG1 ILE A 18 12.413 27.580 -1.793 1.00 0.00 C ATOM 302 CG2 ILE A 18 12.014 25.326 -2.879 1.00 0.00 C ATOM 303 CD1 ILE A 18 13.661 27.183 -1.000 1.00 0.00 C ATOM 0 H ILE A 18 9.054 27.600 -0.812 1.00 0.00 H new ATOM 0 HA ILE A 18 10.211 27.282 -3.523 1.00 0.00 H new ATOM 0 HB ILE A 18 11.218 26.009 -0.981 1.00 0.00 H new ATOM 0 HG12 ILE A 18 12.716 27.944 -2.775 1.00 0.00 H new ATOM 0 HG13 ILE A 18 11.917 28.407 -1.286 1.00 0.00 H new ATOM 0 HG21 ILE A 18 12.976 25.011 -2.476 1.00 0.00 H new ATOM 0 HG22 ILE A 18 11.339 24.471 -2.917 1.00 0.00 H new ATOM 0 HG23 ILE A 18 12.155 25.723 -3.885 1.00 0.00 H new ATOM 0 HD11 ILE A 18 14.325 28.043 -0.911 1.00 0.00 H new ATOM 0 HD12 ILE A 18 13.368 26.847 -0.005 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.180 26.376 -1.518 1.00 0.00 H new ATOM 315 N GLY A 19 8.591 25.347 -3.785 1.00 0.00 N ATOM 316 CA GLY A 19 7.634 24.251 -4.014 1.00 0.00 C ATOM 317 C GLY A 19 8.266 22.858 -4.188 1.00 0.00 C ATOM 318 O GLY A 19 9.475 22.730 -4.399 1.00 0.00 O ATOM 0 H GLY A 19 8.881 25.807 -4.648 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.939 24.215 -3.175 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.048 24.481 -4.904 1.00 0.00 H new ATOM 322 N ASP A 20 7.425 21.816 -4.134 1.00 0.00 N ATOM 323 CA ASP A 20 7.763 20.402 -4.399 1.00 0.00 C ATOM 324 C ASP A 20 8.942 19.855 -3.559 1.00 0.00 C ATOM 325 O ASP A 20 9.747 19.054 -4.034 1.00 0.00 O ATOM 326 CB ASP A 20 7.933 20.143 -5.913 1.00 0.00 C ATOM 327 CG ASP A 20 6.779 20.639 -6.808 1.00 0.00 C ATOM 328 OD1 ASP A 20 7.020 20.831 -8.026 1.00 0.00 O ATOM 329 OD2 ASP A 20 5.630 20.813 -6.329 1.00 0.00 O1- ATOM 0 H ASP A 20 6.441 21.937 -3.893 1.00 0.00 H new ATOM 0 HA ASP A 20 6.906 19.822 -4.056 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.856 20.620 -6.243 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.055 19.071 -6.069 1.00 0.00 H new ATOM 334 N VAL A 21 9.071 20.306 -2.308 1.00 0.00 N ATOM 335 CA VAL A 21 10.139 19.920 -1.370 1.00 0.00 C ATOM 336 C VAL A 21 9.914 18.504 -0.823 1.00 0.00 C ATOM 337 O VAL A 21 8.864 18.221 -0.240 1.00 0.00 O ATOM 338 CB VAL A 21 10.248 20.944 -0.214 1.00 0.00 C ATOM 339 CG1 VAL A 21 11.291 20.543 0.833 1.00 0.00 C ATOM 340 CG2 VAL A 21 10.627 22.325 -0.760 1.00 0.00 C ATOM 0 H VAL A 21 8.414 20.973 -1.903 1.00 0.00 H new ATOM 0 HA VAL A 21 11.081 19.919 -1.918 1.00 0.00 H new ATOM 0 HB VAL A 21 9.269 20.969 0.264 1.00 0.00 H new ATOM 0 HG11 VAL A 21 11.325 21.297 1.620 1.00 0.00 H new ATOM 0 HG12 VAL A 21 11.021 19.579 1.265 1.00 0.00 H new ATOM 0 HG13 VAL A 21 12.270 20.467 0.361 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.700 23.035 0.064 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.588 22.263 -1.272 1.00 0.00 H new ATOM 0 HG23 VAL A 21 9.863 22.661 -1.462 1.00 0.00 H new ATOM 350 N LEU A 22 10.920 17.629 -0.953 1.00 0.00 N ATOM 351 CA LEU A 22 10.951 16.304 -0.310 1.00 0.00 C ATOM 352 C LEU A 22 11.553 16.353 1.096 1.00 0.00 C ATOM 353 O LEU A 22 11.110 15.618 1.983 1.00 0.00 O ATOM 354 CB LEU A 22 11.779 15.315 -1.160 1.00 0.00 C ATOM 355 CG LEU A 22 11.244 15.021 -2.570 1.00 0.00 C ATOM 356 CD1 LEU A 22 12.127 13.958 -3.235 1.00 0.00 C ATOM 357 CD2 LEU A 22 9.807 14.501 -2.553 1.00 0.00 C ATOM 0 H LEU A 22 11.748 17.822 -1.516 1.00 0.00 H new ATOM 0 HA LEU A 22 9.916 15.972 -0.233 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.792 15.707 -1.253 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.850 14.373 -0.617 1.00 0.00 H new ATOM 0 HG LEU A 22 11.262 15.960 -3.122 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.751 13.747 -4.236 1.00 0.00 H new ATOM 0 HD12 LEU A 22 13.151 14.326 -3.303 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.108 13.045 -2.640 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.477 14.309 -3.574 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.761 13.577 -1.977 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.156 15.246 -2.096 1.00 0.00 H new ATOM 369 N GLU A 23 12.576 17.185 1.310 1.00 0.00 N ATOM 370 CA GLU A 23 13.395 17.171 2.525 1.00 0.00 C ATOM 371 C GLU A 23 13.959 18.548 2.907 1.00 0.00 C ATOM 372 O GLU A 23 14.215 19.407 2.053 1.00 0.00 O ATOM 373 CB GLU A 23 14.528 16.137 2.396 1.00 0.00 C ATOM 374 CG GLU A 23 15.497 16.435 1.237 1.00 0.00 C ATOM 375 CD GLU A 23 16.751 15.554 1.296 1.00 0.00 C ATOM 376 OE1 GLU A 23 17.798 16.034 1.794 1.00 0.00 O ATOM 377 OE2 GLU A 23 16.694 14.387 0.840 1.00 0.00 O1- ATOM 0 H GLU A 23 12.862 17.896 0.636 1.00 0.00 H new ATOM 0 HA GLU A 23 12.729 16.884 3.338 1.00 0.00 H new ATOM 0 HB2 GLU A 23 15.089 16.105 3.330 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.093 15.148 2.251 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.986 16.276 0.287 1.00 0.00 H new ATOM 0 HG3 GLU A 23 15.789 17.485 1.270 1.00 0.00 H new ATOM 384 N VAL A 24 14.183 18.738 4.212 1.00 0.00 N ATOM 385 CA VAL A 24 14.767 19.945 4.822 1.00 0.00 C ATOM 386 C VAL A 24 15.755 19.534 5.917 1.00 0.00 C ATOM 387 O VAL A 24 15.463 18.627 6.700 1.00 0.00 O ATOM 388 CB VAL A 24 13.677 20.887 5.388 1.00 0.00 C ATOM 389 CG1 VAL A 24 14.273 22.200 5.918 1.00 0.00 C ATOM 390 CG2 VAL A 24 12.617 21.260 4.344 1.00 0.00 C ATOM 0 H VAL A 24 13.953 18.026 4.905 1.00 0.00 H new ATOM 0 HA VAL A 24 15.296 20.501 4.048 1.00 0.00 H new ATOM 0 HB VAL A 24 13.214 20.322 6.197 1.00 0.00 H new ATOM 0 HG11 VAL A 24 13.474 22.832 6.306 1.00 0.00 H new ATOM 0 HG12 VAL A 24 14.983 21.981 6.716 1.00 0.00 H new ATOM 0 HG13 VAL A 24 14.786 22.720 5.109 1.00 0.00 H new ATOM 0 HG21 VAL A 24 11.878 21.922 4.796 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.095 21.768 3.506 1.00 0.00 H new ATOM 0 HG23 VAL A 24 12.124 20.356 3.987 1.00 0.00 H new ATOM 400 N ARG A 25 16.920 20.184 5.991 1.00 0.00 N ATOM 401 CA ARG A 25 18.023 19.894 6.928 1.00 0.00 C ATOM 402 C ARG A 25 18.486 21.174 7.616 1.00 0.00 C ATOM 403 O ARG A 25 18.853 22.132 6.939 1.00 0.00 O ATOM 404 CB ARG A 25 19.186 19.229 6.162 1.00 0.00 C ATOM 405 CG ARG A 25 18.971 17.719 5.974 1.00 0.00 C ATOM 406 CD ARG A 25 19.992 17.078 5.027 1.00 0.00 C ATOM 407 NE ARG A 25 19.623 17.271 3.609 1.00 0.00 N ATOM 408 CZ ARG A 25 20.143 18.101 2.732 1.00 0.00 C ATOM 409 NH1 ARG A 25 21.106 18.937 2.983 1.00 0.00 N1+ ATOM 410 NH2 ARG A 25 19.690 18.101 1.521 1.00 0.00 N ATOM 0 H ARG A 25 17.136 20.965 5.372 1.00 0.00 H new ATOM 0 HA ARG A 25 17.672 19.208 7.699 1.00 0.00 H new ATOM 0 HB2 ARG A 25 19.294 19.703 5.186 1.00 0.00 H new ATOM 0 HB3 ARG A 25 20.118 19.397 6.703 1.00 0.00 H new ATOM 0 HG2 ARG A 25 19.026 17.227 6.945 1.00 0.00 H new ATOM 0 HG3 ARG A 25 17.967 17.547 5.586 1.00 0.00 H new ATOM 0 HD2 ARG A 25 20.976 17.509 5.208 1.00 0.00 H new ATOM 0 HD3 ARG A 25 20.067 16.012 5.241 1.00 0.00 H new ATOM 0 HE ARG A 25 18.864 16.682 3.265 1.00 0.00 H new ATOM 0 HH11 ARG A 25 21.513 18.981 3.917 1.00 0.00 H new ATOM 0 HH12 ARG A 25 21.455 19.549 2.246 1.00 0.00 H new ATOM 0 HH21 ARG A 25 18.939 17.463 1.257 1.00 0.00 H new ATOM 0 HH22 ARG A 25 20.083 18.739 0.829 1.00 0.00 H new ATOM 424 N ALA A 26 18.486 21.189 8.950 1.00 0.00 N ATOM 425 CA ALA A 26 18.984 22.294 9.768 1.00 0.00 C ATOM 426 C ALA A 26 20.386 21.995 10.331 1.00 0.00 C ATOM 427 O ALA A 26 20.620 20.967 10.978 1.00 0.00 O ATOM 428 CB ALA A 26 17.975 22.601 10.877 1.00 0.00 C ATOM 0 H ALA A 26 18.130 20.411 9.505 1.00 0.00 H new ATOM 0 HA ALA A 26 19.090 23.179 9.141 1.00 0.00 H new ATOM 0 HB1 ALA A 26 18.345 23.425 11.488 1.00 0.00 H new ATOM 0 HB2 ALA A 26 17.019 22.879 10.433 1.00 0.00 H new ATOM 0 HB3 ALA A 26 17.841 21.718 11.502 1.00 0.00 H new ATOM 434 N GLU A 27 21.316 22.917 10.094 1.00 0.00 N ATOM 435 CA GLU A 27 22.644 22.975 10.714 1.00 0.00 C ATOM 436 C GLU A 27 22.595 23.738 12.060 1.00 0.00 C ATOM 437 O GLU A 27 21.526 24.150 12.521 1.00 0.00 O ATOM 438 CB GLU A 27 23.610 23.672 9.731 1.00 0.00 C ATOM 439 CG GLU A 27 23.643 23.060 8.316 1.00 0.00 C ATOM 440 CD GLU A 27 24.004 21.554 8.288 1.00 0.00 C ATOM 441 OE1 GLU A 27 24.790 21.081 9.147 1.00 0.00 O ATOM 442 OE2 GLU A 27 23.528 20.831 7.378 1.00 0.00 O1- ATOM 0 H GLU A 27 21.161 23.680 9.435 1.00 0.00 H new ATOM 0 HA GLU A 27 22.992 21.964 10.926 1.00 0.00 H new ATOM 0 HB2 GLU A 27 23.330 24.722 9.651 1.00 0.00 H new ATOM 0 HB3 GLU A 27 24.616 23.641 10.149 1.00 0.00 H new ATOM 0 HG2 GLU A 27 22.668 23.198 7.849 1.00 0.00 H new ATOM 0 HG3 GLU A 27 24.366 23.608 7.711 1.00 0.00 H new ATOM 449 N GLY A 28 23.751 23.974 12.691 1.00 0.00 N ATOM 450 CA GLY A 28 23.859 24.807 13.905 1.00 0.00 C ATOM 451 C GLY A 28 23.454 26.284 13.720 1.00 0.00 C ATOM 452 O GLY A 28 23.214 26.982 14.708 1.00 0.00 O ATOM 0 H GLY A 28 24.644 23.594 12.377 1.00 0.00 H new ATOM 0 HA2 GLY A 28 23.235 24.370 14.684 1.00 0.00 H new ATOM 0 HA3 GLY A 28 24.888 24.770 14.262 1.00 0.00 H new ATOM 456 N GLY A 29 23.343 26.761 12.474 1.00 0.00 N ATOM 457 CA GLY A 29 22.949 28.141 12.139 1.00 0.00 C ATOM 458 C GLY A 29 22.692 28.372 10.644 1.00 0.00 C ATOM 459 O GLY A 29 23.077 29.417 10.116 1.00 0.00 O ATOM 0 H GLY A 29 23.528 26.188 11.651 1.00 0.00 H new ATOM 0 HA2 GLY A 29 22.047 28.396 12.696 1.00 0.00 H new ATOM 0 HA3 GLY A 29 23.732 28.822 12.472 1.00 0.00 H new ATOM 463 N ALA A 30 22.100 27.394 9.951 1.00 0.00 N ATOM 464 CA ALA A 30 21.720 27.447 8.534 1.00 0.00 C ATOM 465 C ALA A 30 20.653 26.377 8.209 1.00 0.00 C ATOM 466 O ALA A 30 20.502 25.407 8.954 1.00 0.00 O ATOM 467 CB ALA A 30 22.975 27.234 7.672 1.00 0.00 C ATOM 0 H ALA A 30 21.861 26.501 10.383 1.00 0.00 H new ATOM 0 HA ALA A 30 21.287 28.423 8.315 1.00 0.00 H new ATOM 0 HB1 ALA A 30 22.703 27.272 6.617 1.00 0.00 H new ATOM 0 HB2 ALA A 30 23.702 28.017 7.887 1.00 0.00 H new ATOM 0 HB3 ALA A 30 23.412 26.262 7.899 1.00 0.00 H new ATOM 473 N VAL A 31 19.950 26.512 7.080 1.00 0.00 N ATOM 474 CA VAL A 31 19.005 25.498 6.557 1.00 0.00 C ATOM 475 C VAL A 31 19.272 25.182 5.083 1.00 0.00 C ATOM 476 O VAL A 31 19.555 26.078 4.286 1.00 0.00 O ATOM 477 CB VAL A 31 17.530 25.899 6.800 1.00 0.00 C ATOM 478 CG1 VAL A 31 16.538 24.907 6.174 1.00 0.00 C ATOM 479 CG2 VAL A 31 17.202 25.951 8.292 1.00 0.00 C ATOM 0 H VAL A 31 20.017 27.340 6.488 1.00 0.00 H new ATOM 0 HA VAL A 31 19.180 24.581 7.120 1.00 0.00 H new ATOM 0 HB VAL A 31 17.426 26.880 6.336 1.00 0.00 H new ATOM 0 HG11 VAL A 31 15.519 25.236 6.375 1.00 0.00 H new ATOM 0 HG12 VAL A 31 16.699 24.862 5.097 1.00 0.00 H new ATOM 0 HG13 VAL A 31 16.691 23.918 6.606 1.00 0.00 H new ATOM 0 HG21 VAL A 31 16.158 26.236 8.425 1.00 0.00 H new ATOM 0 HG22 VAL A 31 17.370 24.970 8.736 1.00 0.00 H new ATOM 0 HG23 VAL A 31 17.843 26.685 8.780 1.00 0.00 H new ATOM 489 N ARG A 32 19.150 23.905 4.719 1.00 0.00 N ATOM 490 CA ARG A 32 19.212 23.357 3.351 1.00 0.00 C ATOM 491 C ARG A 32 17.892 22.663 2.987 1.00 0.00 C ATOM 492 O ARG A 32 17.247 22.068 3.851 1.00 0.00 O ATOM 493 CB ARG A 32 20.416 22.400 3.221 1.00 0.00 C ATOM 494 CG ARG A 32 21.756 23.157 3.265 1.00 0.00 C ATOM 495 CD ARG A 32 22.985 22.244 3.420 1.00 0.00 C ATOM 496 NE ARG A 32 23.250 21.400 2.236 1.00 0.00 N ATOM 497 CZ ARG A 32 24.365 20.733 1.984 1.00 0.00 C ATOM 498 NH1 ARG A 32 25.372 20.720 2.812 1.00 0.00 N1+ ATOM 499 NH2 ARG A 32 24.490 20.047 0.888 1.00 0.00 N ATOM 0 H ARG A 32 18.995 23.173 5.412 1.00 0.00 H new ATOM 0 HA ARG A 32 19.354 24.174 2.644 1.00 0.00 H new ATOM 0 HB2 ARG A 32 20.386 21.667 4.027 1.00 0.00 H new ATOM 0 HB3 ARG A 32 20.341 21.847 2.284 1.00 0.00 H new ATOM 0 HG2 ARG A 32 21.862 23.740 2.350 1.00 0.00 H new ATOM 0 HG3 ARG A 32 21.735 23.865 4.094 1.00 0.00 H new ATOM 0 HD2 ARG A 32 23.862 22.860 3.620 1.00 0.00 H new ATOM 0 HD3 ARG A 32 22.842 21.601 4.289 1.00 0.00 H new ATOM 0 HE ARG A 32 22.502 21.324 1.547 1.00 0.00 H new ATOM 0 HH11 ARG A 32 25.317 21.236 3.690 1.00 0.00 H new ATOM 0 HH12 ARG A 32 26.215 20.194 2.582 1.00 0.00 H new ATOM 0 HH21 ARG A 32 23.725 20.019 0.214 1.00 0.00 H new ATOM 0 HH22 ARG A 32 25.353 19.536 0.702 1.00 0.00 H new ATOM 513 N VAL A 33 17.491 22.746 1.716 1.00 0.00 N ATOM 514 CA VAL A 33 16.159 22.351 1.200 1.00 0.00 C ATOM 515 C VAL A 33 16.317 21.657 -0.154 1.00 0.00 C ATOM 516 O VAL A 33 16.998 22.211 -1.015 1.00 0.00 O ATOM 517 CB VAL A 33 15.257 23.596 1.032 1.00 0.00 C ATOM 518 CG1 VAL A 33 13.875 23.245 0.477 1.00 0.00 C ATOM 519 CG2 VAL A 33 15.052 24.359 2.343 1.00 0.00 C ATOM 0 H VAL A 33 18.102 23.103 0.982 1.00 0.00 H new ATOM 0 HA VAL A 33 15.696 21.669 1.913 1.00 0.00 H new ATOM 0 HB VAL A 33 15.792 24.227 0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 33 13.281 24.154 0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 33 13.984 22.775 -0.500 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.374 22.556 1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 33 14.411 25.223 2.165 1.00 0.00 H new ATOM 0 HG22 VAL A 33 14.582 23.703 3.076 1.00 0.00 H new ATOM 0 HG23 VAL A 33 16.017 24.695 2.723 1.00 0.00 H new ATOM 529 N THR A 34 15.691 20.495 -0.391 1.00 0.00 N ATOM 530 CA THR A 34 15.819 19.758 -1.673 1.00 0.00 C ATOM 531 C THR A 34 14.473 19.318 -2.262 1.00 0.00 C ATOM 532 O THR A 34 13.605 18.793 -1.559 1.00 0.00 O ATOM 533 CB THR A 34 16.784 18.560 -1.558 1.00 0.00 C ATOM 534 OG1 THR A 34 18.040 18.992 -1.064 1.00 0.00 O ATOM 535 CG2 THR A 34 17.065 17.866 -2.893 1.00 0.00 C ATOM 0 H THR A 34 15.085 20.036 0.289 1.00 0.00 H new ATOM 0 HA THR A 34 16.247 20.475 -2.374 1.00 0.00 H new ATOM 0 HB THR A 34 16.287 17.858 -0.889 1.00 0.00 H new ATOM 0 HG1 THR A 34 18.645 18.224 -0.993 1.00 0.00 H new ATOM 0 HG21 THR A 34 17.751 17.034 -2.733 1.00 0.00 H new ATOM 0 HG22 THR A 34 16.131 17.491 -3.312 1.00 0.00 H new ATOM 0 HG23 THR A 34 17.513 18.578 -3.586 1.00 0.00 H new ATOM 543 N THR A 35 14.296 19.542 -3.566 1.00 0.00 N ATOM 544 CA THR A 35 13.056 19.285 -4.323 1.00 0.00 C ATOM 545 C THR A 35 12.907 17.847 -4.842 1.00 0.00 C ATOM 546 O THR A 35 13.843 17.046 -4.838 1.00 0.00 O ATOM 547 CB THR A 35 12.918 20.257 -5.512 1.00 0.00 C ATOM 548 OG1 THR A 35 13.870 19.948 -6.508 1.00 0.00 O ATOM 549 CG2 THR A 35 13.067 21.729 -5.115 1.00 0.00 C ATOM 0 H THR A 35 15.039 19.923 -4.152 1.00 0.00 H new ATOM 0 HA THR A 35 12.259 19.445 -3.597 1.00 0.00 H new ATOM 0 HB THR A 35 11.906 20.126 -5.894 1.00 0.00 H new ATOM 0 HG1 THR A 35 13.772 20.570 -7.259 1.00 0.00 H new ATOM 0 HG21 THR A 35 12.959 22.357 -5.999 1.00 0.00 H new ATOM 0 HG22 THR A 35 12.297 21.990 -4.389 1.00 0.00 H new ATOM 0 HG23 THR A 35 14.051 21.889 -4.674 1.00 0.00 H new ATOM 557 N LEU A 36 11.721 17.552 -5.385 1.00 0.00 N ATOM 558 CA LEU A 36 11.361 16.355 -6.164 1.00 0.00 C ATOM 559 C LEU A 36 12.320 16.066 -7.339 1.00 0.00 C ATOM 560 O LEU A 36 12.473 14.916 -7.751 1.00 0.00 O ATOM 561 CB LEU A 36 9.914 16.602 -6.649 1.00 0.00 C ATOM 562 CG LEU A 36 9.315 15.561 -7.612 1.00 0.00 C ATOM 563 CD1 LEU A 36 9.210 14.169 -6.990 1.00 0.00 C ATOM 564 CD2 LEU A 36 7.903 15.988 -8.019 1.00 0.00 C ATOM 0 H LEU A 36 10.929 18.187 -5.286 1.00 0.00 H new ATOM 0 HA LEU A 36 11.441 15.462 -5.544 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.269 16.665 -5.773 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.882 17.575 -7.139 1.00 0.00 H new ATOM 0 HG LEU A 36 9.988 15.511 -8.468 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.781 13.478 -7.715 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.203 13.823 -6.702 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.571 14.212 -6.108 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.482 15.249 -8.701 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.275 16.062 -7.131 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.945 16.957 -8.516 1.00 0.00 H new ATOM 576 N PHE A 37 12.981 17.102 -7.861 1.00 0.00 N ATOM 577 CA PHE A 37 13.903 17.043 -9.005 1.00 0.00 C ATOM 578 C PHE A 37 15.386 17.108 -8.592 1.00 0.00 C ATOM 579 O PHE A 37 16.266 17.387 -9.412 1.00 0.00 O ATOM 580 CB PHE A 37 13.483 18.121 -10.021 1.00 0.00 C ATOM 581 CG PHE A 37 12.011 18.012 -10.392 1.00 0.00 C ATOM 582 CD1 PHE A 37 11.069 18.896 -9.829 1.00 0.00 C ATOM 583 CD2 PHE A 37 11.575 16.968 -11.230 1.00 0.00 C ATOM 584 CE1 PHE A 37 9.696 18.724 -10.093 1.00 0.00 C ATOM 585 CE2 PHE A 37 10.205 16.798 -11.490 1.00 0.00 C ATOM 586 CZ PHE A 37 9.263 17.668 -10.915 1.00 0.00 C ATOM 0 H PHE A 37 12.887 18.045 -7.485 1.00 0.00 H new ATOM 0 HA PHE A 37 13.825 16.068 -9.486 1.00 0.00 H new ATOM 0 HB2 PHE A 37 13.680 19.109 -9.604 1.00 0.00 H new ATOM 0 HB3 PHE A 37 14.091 18.028 -10.921 1.00 0.00 H new ATOM 0 HD1 PHE A 37 11.400 19.705 -9.195 1.00 0.00 H new ATOM 0 HD2 PHE A 37 12.295 16.297 -11.674 1.00 0.00 H new ATOM 0 HE1 PHE A 37 8.975 19.404 -9.664 1.00 0.00 H new ATOM 0 HE2 PHE A 37 9.875 15.996 -12.134 1.00 0.00 H new ATOM 0 HZ PHE A 37 8.209 17.526 -11.104 1.00 0.00 H new ATOM 596 N ASP A 38 15.673 16.835 -7.309 1.00 0.00 N ATOM 597 CA ASP A 38 17.003 16.820 -6.676 1.00 0.00 C ATOM 598 C ASP A 38 17.746 18.176 -6.688 1.00 0.00 C ATOM 599 O ASP A 38 18.959 18.222 -6.461 1.00 0.00 O ATOM 600 CB ASP A 38 17.868 15.652 -7.197 1.00 0.00 C ATOM 601 CG ASP A 38 17.186 14.271 -7.154 1.00 0.00 C ATOM 602 OD1 ASP A 38 16.402 13.996 -6.214 1.00 0.00 O ATOM 603 OD2 ASP A 38 17.476 13.426 -8.038 1.00 0.00 O1- ATOM 0 H ASP A 38 14.936 16.604 -6.643 1.00 0.00 H new ATOM 0 HA ASP A 38 16.815 16.642 -5.617 1.00 0.00 H new ATOM 0 HB2 ASP A 38 18.159 15.865 -8.225 1.00 0.00 H new ATOM 0 HB3 ASP A 38 18.785 15.607 -6.609 1.00 0.00 H new ATOM 608 N GLU A 39 17.047 19.286 -6.932 1.00 0.00 N ATOM 609 CA GLU A 39 17.627 20.634 -6.846 1.00 0.00 C ATOM 610 C GLU A 39 17.722 21.082 -5.381 1.00 0.00 C ATOM 611 O GLU A 39 16.703 21.209 -4.698 1.00 0.00 O ATOM 612 CB GLU A 39 16.809 21.634 -7.681 1.00 0.00 C ATOM 613 CG GLU A 39 16.732 21.237 -9.161 1.00 0.00 C ATOM 614 CD GLU A 39 16.213 22.382 -10.060 1.00 0.00 C ATOM 615 OE1 GLU A 39 16.681 22.505 -11.220 1.00 0.00 O ATOM 616 OE2 GLU A 39 15.323 23.166 -9.640 1.00 0.00 O1- ATOM 0 H GLU A 39 16.062 19.279 -7.195 1.00 0.00 H new ATOM 0 HA GLU A 39 18.636 20.605 -7.258 1.00 0.00 H new ATOM 0 HB2 GLU A 39 15.800 21.703 -7.274 1.00 0.00 H new ATOM 0 HB3 GLU A 39 17.256 22.625 -7.596 1.00 0.00 H new ATOM 0 HG2 GLU A 39 17.721 20.932 -9.503 1.00 0.00 H new ATOM 0 HG3 GLU A 39 16.077 20.372 -9.267 1.00 0.00 H new ATOM 623 N GLU A 40 18.941 21.319 -4.885 1.00 0.00 N ATOM 624 CA GLU A 40 19.191 21.795 -3.517 1.00 0.00 C ATOM 625 C GLU A 40 19.339 23.329 -3.447 1.00 0.00 C ATOM 626 O GLU A 40 19.955 23.958 -4.306 1.00 0.00 O ATOM 627 CB GLU A 40 20.404 21.080 -2.901 1.00 0.00 C ATOM 628 CG GLU A 40 20.605 21.437 -1.414 1.00 0.00 C ATOM 629 CD GLU A 40 21.588 20.507 -0.688 1.00 0.00 C ATOM 630 OE1 GLU A 40 21.357 20.201 0.505 1.00 0.00 O ATOM 631 OE2 GLU A 40 22.645 20.133 -1.245 1.00 0.00 O1- ATOM 0 H GLU A 40 19.794 21.184 -5.428 1.00 0.00 H new ATOM 0 HA GLU A 40 18.313 21.543 -2.922 1.00 0.00 H new ATOM 0 HB2 GLU A 40 20.275 20.002 -2.999 1.00 0.00 H new ATOM 0 HB3 GLU A 40 21.301 21.346 -3.460 1.00 0.00 H new ATOM 0 HG2 GLU A 40 20.966 22.463 -1.340 1.00 0.00 H new ATOM 0 HG3 GLU A 40 19.641 21.401 -0.906 1.00 0.00 H new ATOM 638 N HIS A 41 18.805 23.912 -2.373 1.00 0.00 N ATOM 639 CA HIS A 41 18.892 25.328 -1.995 1.00 0.00 C ATOM 640 C HIS A 41 19.465 25.445 -0.576 1.00 0.00 C ATOM 641 O HIS A 41 19.273 24.537 0.237 1.00 0.00 O ATOM 642 CB HIS A 41 17.493 25.965 -2.068 1.00 0.00 C ATOM 643 CG HIS A 41 16.757 25.698 -3.358 1.00 0.00 C ATOM 644 ND1 HIS A 41 16.939 26.394 -4.557 1.00 0.00 N ATOM 645 CD2 HIS A 41 15.845 24.700 -3.562 1.00 0.00 C ATOM 646 CE1 HIS A 41 16.125 25.798 -5.451 1.00 0.00 C ATOM 647 NE2 HIS A 41 15.460 24.780 -4.882 1.00 0.00 N ATOM 0 H HIS A 41 18.263 23.373 -1.697 1.00 0.00 H new ATOM 0 HA HIS A 41 19.553 25.855 -2.683 1.00 0.00 H new ATOM 0 HB2 HIS A 41 16.893 25.593 -1.237 1.00 0.00 H new ATOM 0 HB3 HIS A 41 17.589 27.042 -1.934 1.00 0.00 H new ATOM 0 HD2 HIS A 41 15.495 23.987 -2.830 1.00 0.00 H new ATOM 0 HE1 HIS A 41 16.022 26.098 -6.483 1.00 0.00 H new ATOM 0 HE2 HIS A 41 14.786 24.171 -5.347 1.00 0.00 H new ATOM 655 N ALA A 42 20.152 26.549 -0.254 1.00 0.00 N ATOM 656 CA ALA A 42 20.818 26.753 1.036 1.00 0.00 C ATOM 657 C ALA A 42 20.719 28.208 1.532 1.00 0.00 C ATOM 658 O ALA A 42 20.873 29.150 0.747 1.00 0.00 O ATOM 659 CB ALA A 42 22.276 26.290 0.917 1.00 0.00 C ATOM 0 H ALA A 42 20.261 27.336 -0.893 1.00 0.00 H new ATOM 0 HA ALA A 42 20.306 26.155 1.790 1.00 0.00 H new ATOM 0 HB1 ALA A 42 22.783 26.436 1.871 1.00 0.00 H new ATOM 0 HB2 ALA A 42 22.302 25.233 0.651 1.00 0.00 H new ATOM 0 HB3 ALA A 42 22.780 26.871 0.145 1.00 0.00 H new ATOM 665 N PHE A 43 20.496 28.383 2.839 1.00 0.00 N ATOM 666 CA PHE A 43 20.202 29.666 3.486 1.00 0.00 C ATOM 667 C PHE A 43 20.868 29.769 4.871 1.00 0.00 C ATOM 668 O PHE A 43 20.457 29.059 5.797 1.00 0.00 O ATOM 669 CB PHE A 43 18.676 29.829 3.614 1.00 0.00 C ATOM 670 CG PHE A 43 17.925 29.703 2.306 1.00 0.00 C ATOM 671 CD1 PHE A 43 17.355 28.469 1.934 1.00 0.00 C ATOM 672 CD2 PHE A 43 17.824 30.808 1.437 1.00 0.00 C ATOM 673 CE1 PHE A 43 16.706 28.336 0.694 1.00 0.00 C ATOM 674 CE2 PHE A 43 17.178 30.668 0.196 1.00 0.00 C ATOM 675 CZ PHE A 43 16.623 29.436 -0.177 1.00 0.00 C ATOM 0 H PHE A 43 20.516 27.606 3.500 1.00 0.00 H new ATOM 0 HA PHE A 43 20.610 30.466 2.869 1.00 0.00 H new ATOM 0 HB2 PHE A 43 18.299 29.079 4.310 1.00 0.00 H new ATOM 0 HB3 PHE A 43 18.462 30.805 4.050 1.00 0.00 H new ATOM 0 HD1 PHE A 43 17.417 27.623 2.603 1.00 0.00 H new ATOM 0 HD2 PHE A 43 18.242 31.761 1.724 1.00 0.00 H new ATOM 0 HE1 PHE A 43 16.271 27.389 0.411 1.00 0.00 H new ATOM 0 HE2 PHE A 43 17.109 31.513 -0.473 1.00 0.00 H new ATOM 0 HZ PHE A 43 16.132 29.332 -1.133 1.00 0.00 H new ATOM 685 N PRO A 44 21.885 30.637 5.064 1.00 0.00 N ATOM 686 CA PRO A 44 22.498 30.862 6.372 1.00 0.00 C ATOM 687 C PRO A 44 21.573 31.664 7.307 1.00 0.00 C ATOM 688 O PRO A 44 20.769 32.498 6.873 1.00 0.00 O ATOM 689 CB PRO A 44 23.808 31.606 6.088 1.00 0.00 C ATOM 690 CG PRO A 44 23.490 32.399 4.814 1.00 0.00 C ATOM 691 CD PRO A 44 22.540 31.470 4.060 1.00 0.00 C ATOM 0 HA PRO A 44 22.680 29.922 6.894 1.00 0.00 H new ATOM 0 HB2 PRO A 44 24.085 32.263 6.913 1.00 0.00 H new ATOM 0 HB3 PRO A 44 24.638 30.916 5.937 1.00 0.00 H new ATOM 0 HG2 PRO A 44 23.022 33.357 5.041 1.00 0.00 H new ATOM 0 HG3 PRO A 44 24.389 32.612 4.236 1.00 0.00 H new ATOM 0 HD2 PRO A 44 21.806 32.043 3.494 1.00 0.00 H new ATOM 0 HD3 PRO A 44 23.086 30.856 3.344 1.00 0.00 H new ATOM 699 N GLY A 45 21.714 31.427 8.611 1.00 0.00 N ATOM 700 CA GLY A 45 21.025 32.178 9.672 1.00 0.00 C ATOM 701 C GLY A 45 19.577 31.746 9.936 1.00 0.00 C ATOM 702 O GLY A 45 18.851 32.462 10.630 1.00 0.00 O ATOM 0 H GLY A 45 22.323 30.692 8.972 1.00 0.00 H new ATOM 0 HA2 GLY A 45 21.593 32.076 10.597 1.00 0.00 H new ATOM 0 HA3 GLY A 45 21.031 33.236 9.410 1.00 0.00 H new ATOM 706 N LEU A 46 19.141 30.601 9.404 1.00 0.00 N ATOM 707 CA LEU A 46 17.810 30.022 9.634 1.00 0.00 C ATOM 708 C LEU A 46 17.844 28.761 10.511 1.00 0.00 C ATOM 709 O LEU A 46 18.884 28.112 10.657 1.00 0.00 O ATOM 710 CB LEU A 46 17.127 29.725 8.285 1.00 0.00 C ATOM 711 CG LEU A 46 16.869 30.937 7.373 1.00 0.00 C ATOM 712 CD1 LEU A 46 16.075 30.478 6.157 1.00 0.00 C ATOM 713 CD2 LEU A 46 16.068 32.053 8.052 1.00 0.00 C ATOM 0 H LEU A 46 19.719 30.034 8.784 1.00 0.00 H new ATOM 0 HA LEU A 46 17.231 30.763 10.185 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.743 29.010 7.739 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.173 29.237 8.484 1.00 0.00 H new ATOM 0 HG LEU A 46 17.847 31.340 7.108 1.00 0.00 H new ATOM 0 HD11 LEU A 46 15.886 31.329 5.503 1.00 0.00 H new ATOM 0 HD12 LEU A 46 16.644 29.723 5.615 1.00 0.00 H new ATOM 0 HD13 LEU A 46 15.126 30.052 6.482 1.00 0.00 H new ATOM 0 HD21 LEU A 46 15.923 32.875 7.351 1.00 0.00 H new ATOM 0 HD22 LEU A 46 15.097 31.667 8.363 1.00 0.00 H new ATOM 0 HD23 LEU A 46 16.613 32.412 8.925 1.00 0.00 H new ATOM 725 N ALA A 47 16.672 28.389 11.025 1.00 0.00 N ATOM 726 CA ALA A 47 16.333 27.082 11.593 1.00 0.00 C ATOM 727 C ALA A 47 14.869 26.717 11.265 1.00 0.00 C ATOM 728 O ALA A 47 14.072 27.576 10.876 1.00 0.00 O ATOM 729 CB ALA A 47 16.594 27.110 13.108 1.00 0.00 C ATOM 0 H ALA A 47 15.882 29.033 11.058 1.00 0.00 H new ATOM 0 HA ALA A 47 16.961 26.308 11.151 1.00 0.00 H new ATOM 0 HB1 ALA A 47 16.344 26.140 13.538 1.00 0.00 H new ATOM 0 HB2 ALA A 47 17.646 27.328 13.292 1.00 0.00 H new ATOM 0 HB3 ALA A 47 15.977 27.881 13.569 1.00 0.00 H new ATOM 735 N ILE A 48 14.502 25.442 11.412 1.00 0.00 N ATOM 736 CA ILE A 48 13.133 24.951 11.174 1.00 0.00 C ATOM 737 C ILE A 48 12.230 25.346 12.357 1.00 0.00 C ATOM 738 O ILE A 48 12.513 24.983 13.501 1.00 0.00 O ATOM 739 CB ILE A 48 13.121 23.425 10.916 1.00 0.00 C ATOM 740 CG1 ILE A 48 13.977 23.025 9.693 1.00 0.00 C ATOM 741 CG2 ILE A 48 11.677 22.924 10.716 1.00 0.00 C ATOM 742 CD1 ILE A 48 14.452 21.568 9.754 1.00 0.00 C ATOM 0 H ILE A 48 15.150 24.710 11.702 1.00 0.00 H new ATOM 0 HA ILE A 48 12.738 25.419 10.273 1.00 0.00 H new ATOM 0 HB ILE A 48 13.559 22.955 11.797 1.00 0.00 H new ATOM 0 HG12 ILE A 48 13.396 23.176 8.783 1.00 0.00 H new ATOM 0 HG13 ILE A 48 14.844 23.683 9.630 1.00 0.00 H new ATOM 0 HG21 ILE A 48 11.687 21.849 10.536 1.00 0.00 H new ATOM 0 HG22 ILE A 48 11.091 23.137 11.610 1.00 0.00 H new ATOM 0 HG23 ILE A 48 11.231 23.431 9.861 1.00 0.00 H new ATOM 0 HD11 ILE A 48 15.048 21.342 8.870 1.00 0.00 H new ATOM 0 HD12 ILE A 48 15.058 21.420 10.648 1.00 0.00 H new ATOM 0 HD13 ILE A 48 13.588 20.905 9.787 1.00 0.00 H new ATOM 754 N GLY A 49 11.151 26.088 12.086 1.00 0.00 N ATOM 755 CA GLY A 49 10.213 26.612 13.088 1.00 0.00 C ATOM 756 C GLY A 49 8.958 25.753 13.283 1.00 0.00 C ATOM 757 O GLY A 49 8.564 25.478 14.419 1.00 0.00 O ATOM 0 H GLY A 49 10.897 26.349 11.133 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.731 26.701 14.043 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.910 27.617 12.795 1.00 0.00 H new ATOM 761 N ARG A 50 8.335 25.292 12.188 1.00 0.00 N ATOM 762 CA ARG A 50 7.149 24.408 12.211 1.00 0.00 C ATOM 763 C ARG A 50 7.123 23.503 10.980 1.00 0.00 C ATOM 764 O ARG A 50 7.513 23.925 9.889 1.00 0.00 O ATOM 765 CB ARG A 50 5.861 25.239 12.376 1.00 0.00 C ATOM 766 CG ARG A 50 4.565 24.409 12.435 1.00 0.00 C ATOM 767 CD ARG A 50 3.351 25.265 12.826 1.00 0.00 C ATOM 768 NE ARG A 50 2.083 24.511 12.691 1.00 0.00 N ATOM 769 CZ ARG A 50 1.363 24.387 11.595 1.00 0.00 C ATOM 770 NH1 ARG A 50 1.685 24.951 10.464 1.00 0.00 N1+ ATOM 771 NH2 ARG A 50 0.286 23.669 11.574 1.00 0.00 N ATOM 0 H ARG A 50 8.643 25.524 11.244 1.00 0.00 H new ATOM 0 HA ARG A 50 7.211 23.748 13.076 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.940 25.830 13.288 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.789 25.942 11.546 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.386 23.947 11.464 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.685 23.600 13.155 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.463 25.607 13.855 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.315 26.154 12.196 1.00 0.00 H new ATOM 0 HE ARG A 50 1.734 24.043 13.527 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.529 25.520 10.400 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.093 24.823 9.644 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.021 23.185 12.418 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.256 23.587 10.714 1.00 0.00 H new ATOM 785 N VAL A 51 6.639 22.276 11.152 1.00 0.00 N ATOM 786 CA VAL A 51 6.482 21.246 10.114 1.00 0.00 C ATOM 787 C VAL A 51 5.051 20.722 10.167 1.00 0.00 C ATOM 788 O VAL A 51 4.561 20.379 11.240 1.00 0.00 O ATOM 789 CB VAL A 51 7.473 20.083 10.331 1.00 0.00 C ATOM 790 CG1 VAL A 51 7.378 19.035 9.215 1.00 0.00 C ATOM 791 CG2 VAL A 51 8.921 20.573 10.425 1.00 0.00 C ATOM 0 H VAL A 51 6.327 21.950 12.067 1.00 0.00 H new ATOM 0 HA VAL A 51 6.692 21.685 9.139 1.00 0.00 H new ATOM 0 HB VAL A 51 7.190 19.625 11.278 1.00 0.00 H new ATOM 0 HG11 VAL A 51 8.092 18.234 9.406 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.369 18.623 9.188 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.605 19.502 8.257 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.584 19.721 10.578 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.193 21.084 9.501 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.018 21.263 11.263 1.00 0.00 H new ATOM 801 N ASP A 52 4.371 20.669 9.026 1.00 0.00 N ATOM 802 CA ASP A 52 2.922 20.487 8.953 1.00 0.00 C ATOM 803 C ASP A 52 2.550 19.509 7.826 1.00 0.00 C ATOM 804 O ASP A 52 2.514 19.886 6.653 1.00 0.00 O ATOM 805 CB ASP A 52 2.288 21.882 8.808 1.00 0.00 C ATOM 806 CG ASP A 52 0.757 21.901 8.807 1.00 0.00 C ATOM 807 OD1 ASP A 52 0.117 20.829 8.744 1.00 0.00 O ATOM 808 OD2 ASP A 52 0.184 23.014 8.874 1.00 0.00 O1- ATOM 0 H ASP A 52 4.816 20.752 8.112 1.00 0.00 H new ATOM 0 HA ASP A 52 2.529 20.026 9.859 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.643 22.512 9.623 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.642 22.331 7.880 1.00 0.00 H new ATOM 813 N LEU A 53 2.286 18.250 8.187 1.00 0.00 N ATOM 814 CA LEU A 53 1.882 17.180 7.268 1.00 0.00 C ATOM 815 C LEU A 53 0.411 17.332 6.835 1.00 0.00 C ATOM 816 O LEU A 53 0.048 16.995 5.706 1.00 0.00 O ATOM 817 CB LEU A 53 2.086 15.799 7.928 1.00 0.00 C ATOM 818 CG LEU A 53 3.489 15.387 8.426 1.00 0.00 C ATOM 819 CD1 LEU A 53 4.567 15.621 7.373 1.00 0.00 C ATOM 820 CD2 LEU A 53 3.927 16.038 9.742 1.00 0.00 C ATOM 0 H LEU A 53 2.349 17.937 9.156 1.00 0.00 H new ATOM 0 HA LEU A 53 2.510 17.256 6.381 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.409 15.742 8.780 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.761 15.045 7.212 1.00 0.00 H new ATOM 0 HG LEU A 53 3.382 14.320 8.620 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.535 15.316 7.770 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.339 15.035 6.483 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.598 16.679 7.113 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.924 15.686 10.008 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.944 17.121 9.624 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.225 15.770 10.532 1.00 0.00 H new ATOM 832 N ARG A 54 -0.429 17.877 7.724 1.00 0.00 N ATOM 833 CA ARG A 54 -1.862 18.137 7.510 1.00 0.00 C ATOM 834 C ARG A 54 -2.112 19.188 6.419 1.00 0.00 C ATOM 835 O ARG A 54 -3.012 18.995 5.598 1.00 0.00 O ATOM 836 CB ARG A 54 -2.469 18.498 8.880 1.00 0.00 C ATOM 837 CG ARG A 54 -3.875 19.121 8.831 1.00 0.00 C ATOM 838 CD ARG A 54 -4.546 19.153 10.214 1.00 0.00 C ATOM 839 NE ARG A 54 -3.737 19.843 11.251 1.00 0.00 N ATOM 840 CZ ARG A 54 -3.992 19.871 12.549 1.00 0.00 C ATOM 841 NH1 ARG A 54 -5.044 19.292 13.052 1.00 0.00 N1+ ATOM 842 NH2 ARG A 54 -3.211 20.488 13.388 1.00 0.00 N ATOM 0 H ARG A 54 -0.117 18.162 8.652 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.361 17.249 7.123 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.510 17.596 9.490 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.798 19.194 9.384 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.807 20.136 8.439 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.498 18.553 8.140 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.512 19.650 10.128 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.741 18.131 10.538 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.907 20.342 10.933 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.697 18.801 12.441 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -5.215 19.330 14.057 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.376 20.967 13.050 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.434 20.492 14.383 1.00 0.00 H new ATOM 856 N SER A 55 -1.315 20.258 6.372 1.00 0.00 N ATOM 857 CA SER A 55 -1.375 21.306 5.339 1.00 0.00 C ATOM 858 C SER A 55 -0.345 21.143 4.202 1.00 0.00 C ATOM 859 O SER A 55 -0.534 21.701 3.120 1.00 0.00 O ATOM 860 CB SER A 55 -1.220 22.679 6.003 1.00 0.00 C ATOM 861 OG SER A 55 -1.642 23.728 5.142 1.00 0.00 O ATOM 0 H SER A 55 -0.589 20.428 7.068 1.00 0.00 H new ATOM 0 HA SER A 55 -2.350 21.212 4.860 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.803 22.706 6.923 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.178 22.833 6.281 1.00 0.00 H new ATOM 0 HG SER A 55 -1.531 24.589 5.597 1.00 0.00 H new ATOM 867 N GLY A 56 0.744 20.394 4.427 1.00 0.00 N ATOM 868 CA GLY A 56 1.844 20.205 3.470 1.00 0.00 C ATOM 869 C GLY A 56 2.802 21.400 3.393 1.00 0.00 C ATOM 870 O GLY A 56 3.048 21.916 2.300 1.00 0.00 O ATOM 0 H GLY A 56 0.888 19.890 5.302 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.408 19.315 3.749 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.426 20.021 2.480 1.00 0.00 H new ATOM 874 N VAL A 57 3.325 21.865 4.541 1.00 0.00 N ATOM 875 CA VAL A 57 4.172 23.078 4.667 1.00 0.00 C ATOM 876 C VAL A 57 5.313 22.880 5.680 1.00 0.00 C ATOM 877 O VAL A 57 5.122 22.246 6.719 1.00 0.00 O ATOM 878 CB VAL A 57 3.316 24.313 5.049 1.00 0.00 C ATOM 879 CG1 VAL A 57 4.150 25.597 5.204 1.00 0.00 C ATOM 880 CG2 VAL A 57 2.227 24.612 4.011 1.00 0.00 C ATOM 0 H VAL A 57 3.170 21.399 5.435 1.00 0.00 H new ATOM 0 HA VAL A 57 4.625 23.255 3.692 1.00 0.00 H new ATOM 0 HB VAL A 57 2.869 24.042 6.006 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.495 26.426 5.472 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.894 25.455 5.987 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.652 25.821 4.263 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.655 25.486 4.325 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.690 24.809 3.044 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.560 23.754 3.925 1.00 0.00 H new ATOM 890 N ILE A 58 6.484 23.472 5.415 1.00 0.00 N ATOM 891 CA ILE A 58 7.536 23.730 6.414 1.00 0.00 C ATOM 892 C ILE A 58 7.791 25.242 6.517 1.00 0.00 C ATOM 893 O ILE A 58 8.041 25.906 5.506 1.00 0.00 O ATOM 894 CB ILE A 58 8.838 22.955 6.097 1.00 0.00 C ATOM 895 CG1 ILE A 58 8.639 21.425 6.184 1.00 0.00 C ATOM 896 CG2 ILE A 58 9.966 23.360 7.065 1.00 0.00 C ATOM 897 CD1 ILE A 58 8.426 20.780 4.812 1.00 0.00 C ATOM 0 H ILE A 58 6.735 23.793 4.480 1.00 0.00 H new ATOM 0 HA ILE A 58 7.189 23.365 7.381 1.00 0.00 H new ATOM 0 HB ILE A 58 9.111 23.215 5.074 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.510 20.976 6.661 1.00 0.00 H new ATOM 0 HG13 ILE A 58 7.780 21.210 6.820 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.871 22.803 6.823 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.161 24.428 6.970 1.00 0.00 H new ATOM 0 HG23 ILE A 58 9.665 23.136 8.088 1.00 0.00 H new ATOM 0 HD11 ILE A 58 8.292 19.705 4.932 1.00 0.00 H new ATOM 0 HD12 ILE A 58 7.539 21.206 4.343 1.00 0.00 H new ATOM 0 HD13 ILE A 58 9.295 20.969 4.182 1.00 0.00 H new ATOM 909 N SER A 59 7.746 25.786 7.731 1.00 0.00 N ATOM 910 CA SER A 59 8.033 27.194 8.028 1.00 0.00 C ATOM 911 C SER A 59 9.395 27.336 8.711 1.00 0.00 C ATOM 912 O SER A 59 9.655 26.671 9.722 1.00 0.00 O ATOM 913 CB SER A 59 6.918 27.775 8.903 1.00 0.00 C ATOM 914 OG SER A 59 7.149 29.151 9.161 1.00 0.00 O ATOM 0 H SER A 59 7.502 25.247 8.562 1.00 0.00 H new ATOM 0 HA SER A 59 8.071 27.753 7.093 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.956 27.650 8.406 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.864 27.227 9.844 1.00 0.00 H new ATOM 0 HG SER A 59 6.426 29.505 9.720 1.00 0.00 H new ATOM 920 N LEU A 60 10.273 28.186 8.170 1.00 0.00 N ATOM 921 CA LEU A 60 11.595 28.503 8.718 1.00 0.00 C ATOM 922 C LEU A 60 11.603 29.856 9.455 1.00 0.00 C ATOM 923 O LEU A 60 10.864 30.777 9.097 1.00 0.00 O ATOM 924 CB LEU A 60 12.663 28.490 7.610 1.00 0.00 C ATOM 925 CG LEU A 60 12.681 27.248 6.699 1.00 0.00 C ATOM 926 CD1 LEU A 60 13.830 27.368 5.696 1.00 0.00 C ATOM 927 CD2 LEU A 60 12.855 25.943 7.472 1.00 0.00 C ATOM 0 H LEU A 60 10.075 28.691 7.306 1.00 0.00 H new ATOM 0 HA LEU A 60 11.835 27.729 9.447 1.00 0.00 H new ATOM 0 HB2 LEU A 60 12.519 29.371 6.985 1.00 0.00 H new ATOM 0 HB3 LEU A 60 13.643 28.587 8.077 1.00 0.00 H new ATOM 0 HG LEU A 60 11.714 27.214 6.198 1.00 0.00 H new ATOM 0 HD11 LEU A 60 13.843 26.489 5.051 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.691 28.262 5.088 1.00 0.00 H new ATOM 0 HD13 LEU A 60 14.776 27.438 6.233 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.860 25.105 6.775 1.00 0.00 H new ATOM 0 HD22 LEU A 60 13.798 25.966 8.018 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.031 25.825 8.176 1.00 0.00 H new ATOM 939 N ILE A 61 12.473 29.978 10.459 1.00 0.00 N ATOM 940 CA ILE A 61 12.640 31.169 11.315 1.00 0.00 C ATOM 941 C ILE A 61 14.118 31.548 11.454 1.00 0.00 C ATOM 942 O ILE A 61 15.013 30.732 11.236 1.00 0.00 O ATOM 943 CB ILE A 61 11.975 30.980 12.703 1.00 0.00 C ATOM 944 CG1 ILE A 61 12.633 29.870 13.554 1.00 0.00 C ATOM 945 CG2 ILE A 61 10.466 30.710 12.555 1.00 0.00 C ATOM 946 CD1 ILE A 61 13.645 30.390 14.582 1.00 0.00 C ATOM 0 H ILE A 61 13.110 29.223 10.714 1.00 0.00 H new ATOM 0 HA ILE A 61 12.127 31.995 10.823 1.00 0.00 H new ATOM 0 HB ILE A 61 12.127 31.917 13.238 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.853 29.316 14.076 1.00 0.00 H new ATOM 0 HG13 ILE A 61 13.134 29.166 12.890 1.00 0.00 H new ATOM 0 HG21 ILE A 61 10.021 30.581 13.542 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.993 31.553 12.051 1.00 0.00 H new ATOM 0 HG23 ILE A 61 10.314 29.805 11.967 1.00 0.00 H new ATOM 0 HD11 ILE A 61 14.062 29.551 15.139 1.00 0.00 H new ATOM 0 HD12 ILE A 61 14.447 30.919 14.067 1.00 0.00 H new ATOM 0 HD13 ILE A 61 13.146 31.071 15.272 1.00 0.00 H new ATOM 958 N GLU A 62 14.380 32.796 11.823 1.00 0.00 N ATOM 959 CA GLU A 62 15.729 33.358 11.977 1.00 0.00 C ATOM 960 C GLU A 62 16.407 32.859 13.271 1.00 0.00 C ATOM 961 O GLU A 62 15.971 33.174 14.382 1.00 0.00 O ATOM 962 CB GLU A 62 15.679 34.898 11.950 1.00 0.00 C ATOM 963 CG GLU A 62 14.980 35.509 10.719 1.00 0.00 C ATOM 964 CD GLU A 62 13.504 35.884 10.986 1.00 0.00 C ATOM 965 OE1 GLU A 62 12.721 35.063 11.525 1.00 0.00 O ATOM 966 OE2 GLU A 62 13.110 37.027 10.646 1.00 0.00 O1- ATOM 0 H GLU A 62 13.643 33.470 12.031 1.00 0.00 H new ATOM 0 HA GLU A 62 16.330 33.013 11.136 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.168 35.245 12.848 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.699 35.280 11.996 1.00 0.00 H new ATOM 0 HG2 GLU A 62 15.524 36.399 10.404 1.00 0.00 H new ATOM 0 HG3 GLU A 62 15.025 34.799 9.893 1.00 0.00 H new ATOM 1113 N MET B 3 0.666 12.145 6.909 1.00 0.00 N ATOM 1114 CA MET B 3 1.040 11.924 8.312 1.00 0.00 C ATOM 1115 C MET B 3 2.432 11.272 8.392 1.00 0.00 C ATOM 1116 O MET B 3 2.875 10.623 7.441 1.00 0.00 O ATOM 1117 CB MET B 3 -0.044 11.091 9.024 1.00 0.00 C ATOM 1118 CG MET B 3 -0.231 9.684 8.433 1.00 0.00 C ATOM 1119 SD MET B 3 -1.774 8.851 8.898 1.00 0.00 S ATOM 1120 CE MET B 3 -1.506 8.613 10.677 1.00 0.00 C ATOM 0 HA MET B 3 1.103 12.880 8.831 1.00 0.00 H new ATOM 0 HB2 MET B 3 0.215 11.001 10.079 1.00 0.00 H new ATOM 0 HB3 MET B 3 -0.992 11.626 8.973 1.00 0.00 H new ATOM 0 HG2 MET B 3 -0.188 9.755 7.346 1.00 0.00 H new ATOM 0 HG3 MET B 3 0.608 9.062 8.745 1.00 0.00 H new ATOM 0 HE1 MET B 3 -2.370 8.111 11.111 1.00 0.00 H new ATOM 0 HE2 MET B 3 -0.616 8.003 10.833 1.00 0.00 H new ATOM 0 HE3 MET B 3 -1.370 9.582 11.157 1.00 0.00 H new ATOM 1130 N ALA B 4 3.126 11.457 9.516 1.00 0.00 N ATOM 1131 CA ALA B 4 4.532 11.083 9.699 1.00 0.00 C ATOM 1132 C ALA B 4 4.814 10.520 11.105 1.00 0.00 C ATOM 1133 O ALA B 4 3.897 10.395 11.927 1.00 0.00 O ATOM 1134 CB ALA B 4 5.366 12.341 9.401 1.00 0.00 C ATOM 0 H ALA B 4 2.716 11.882 10.347 1.00 0.00 H new ATOM 0 HA ALA B 4 4.799 10.274 9.019 1.00 0.00 H new ATOM 0 HB1 ALA B 4 6.425 12.113 9.524 1.00 0.00 H new ATOM 0 HB2 ALA B 4 5.181 12.666 8.377 1.00 0.00 H new ATOM 0 HB3 ALA B 4 5.084 13.137 10.091 1.00 0.00 H new ATOM 1140 N LYS B 5 6.083 10.204 11.402 1.00 0.00 N ATOM 1141 CA LYS B 5 6.572 9.943 12.766 1.00 0.00 C ATOM 1142 C LYS B 5 7.715 10.874 13.176 1.00 0.00 C ATOM 1143 O LYS B 5 8.514 11.300 12.338 1.00 0.00 O ATOM 1144 CB LYS B 5 6.917 8.457 12.952 1.00 0.00 C ATOM 1145 CG LYS B 5 8.147 7.966 12.165 1.00 0.00 C ATOM 1146 CD LYS B 5 8.510 6.535 12.592 1.00 0.00 C ATOM 1147 CE LYS B 5 9.785 6.056 11.890 1.00 0.00 C ATOM 1148 NZ LYS B 5 10.223 4.743 12.420 1.00 0.00 N1+ ATOM 0 H LYS B 5 6.810 10.121 10.692 1.00 0.00 H new ATOM 0 HA LYS B 5 5.757 10.174 13.451 1.00 0.00 H new ATOM 0 HB2 LYS B 5 7.086 8.270 14.012 1.00 0.00 H new ATOM 0 HB3 LYS B 5 6.054 7.860 12.656 1.00 0.00 H new ATOM 0 HG2 LYS B 5 7.939 7.993 11.095 1.00 0.00 H new ATOM 0 HG3 LYS B 5 8.991 8.632 12.342 1.00 0.00 H new ATOM 0 HD2 LYS B 5 8.651 6.499 13.672 1.00 0.00 H new ATOM 0 HD3 LYS B 5 7.686 5.862 12.355 1.00 0.00 H new ATOM 0 HE2 LYS B 5 9.606 5.978 10.818 1.00 0.00 H new ATOM 0 HE3 LYS B 5 10.578 6.791 12.028 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 11.107 4.457 11.952 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 10.382 4.818 13.445 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 9.488 4.031 12.235 1.00 0.00 H new ATOM 1162 N VAL B 6 7.807 11.170 14.472 1.00 0.00 N ATOM 1163 CA VAL B 6 8.954 11.866 15.095 1.00 0.00 C ATOM 1164 C VAL B 6 9.940 10.856 15.683 1.00 0.00 C ATOM 1165 O VAL B 6 9.521 9.833 16.224 1.00 0.00 O ATOM 1166 CB VAL B 6 8.472 12.888 16.142 1.00 0.00 C ATOM 1167 CG1 VAL B 6 9.577 13.417 17.070 1.00 0.00 C ATOM 1168 CG2 VAL B 6 7.862 14.104 15.434 1.00 0.00 C ATOM 0 H VAL B 6 7.075 10.931 15.141 1.00 0.00 H new ATOM 0 HA VAL B 6 9.485 12.426 14.325 1.00 0.00 H new ATOM 0 HB VAL B 6 7.750 12.348 16.754 1.00 0.00 H new ATOM 0 HG11 VAL B 6 9.150 14.130 17.775 1.00 0.00 H new ATOM 0 HG12 VAL B 6 10.020 12.586 17.619 1.00 0.00 H new ATOM 0 HG13 VAL B 6 10.346 13.911 16.476 1.00 0.00 H new ATOM 0 HG21 VAL B 6 7.522 14.825 16.177 1.00 0.00 H new ATOM 0 HG22 VAL B 6 8.614 14.568 14.795 1.00 0.00 H new ATOM 0 HG23 VAL B 6 7.016 13.784 14.825 1.00 0.00 H new ATOM 1178 N VAL B 7 11.241 11.157 15.617 1.00 0.00 N ATOM 1179 CA VAL B 7 12.318 10.412 16.290 1.00 0.00 C ATOM 1180 C VAL B 7 13.274 11.360 17.032 1.00 0.00 C ATOM 1181 O VAL B 7 13.650 12.419 16.522 1.00 0.00 O ATOM 1182 CB VAL B 7 13.048 9.466 15.307 1.00 0.00 C ATOM 1183 CG1 VAL B 7 13.684 10.175 14.105 1.00 0.00 C ATOM 1184 CG2 VAL B 7 14.158 8.655 15.998 1.00 0.00 C ATOM 0 H VAL B 7 11.588 11.950 15.078 1.00 0.00 H new ATOM 0 HA VAL B 7 11.866 9.775 17.050 1.00 0.00 H new ATOM 0 HB VAL B 7 12.253 8.812 14.947 1.00 0.00 H new ATOM 0 HG11 VAL B 7 14.175 9.440 13.467 1.00 0.00 H new ATOM 0 HG12 VAL B 7 12.911 10.691 13.536 1.00 0.00 H new ATOM 0 HG13 VAL B 7 14.419 10.899 14.457 1.00 0.00 H new ATOM 0 HG21 VAL B 7 14.642 8.006 15.269 1.00 0.00 H new ATOM 0 HG22 VAL B 7 14.895 9.336 16.423 1.00 0.00 H new ATOM 0 HG23 VAL B 7 13.724 8.048 16.793 1.00 0.00 H new ATOM 1194 N LEU B 8 13.662 10.970 18.249 1.00 0.00 N ATOM 1195 CA LEU B 8 14.600 11.673 19.128 1.00 0.00 C ATOM 1196 C LEU B 8 15.390 10.678 19.994 1.00 0.00 C ATOM 1197 O LEU B 8 14.967 9.533 20.182 1.00 0.00 O ATOM 1198 CB LEU B 8 13.838 12.732 19.960 1.00 0.00 C ATOM 1199 CG LEU B 8 12.859 12.179 21.019 1.00 0.00 C ATOM 1200 CD1 LEU B 8 13.510 12.053 22.405 1.00 0.00 C ATOM 1201 CD2 LEU B 8 11.641 13.093 21.164 1.00 0.00 C ATOM 0 H LEU B 8 13.312 10.110 18.670 1.00 0.00 H new ATOM 0 HA LEU B 8 15.340 12.203 18.529 1.00 0.00 H new ATOM 0 HB2 LEU B 8 14.569 13.365 20.464 1.00 0.00 H new ATOM 0 HB3 LEU B 8 13.280 13.371 19.276 1.00 0.00 H new ATOM 0 HG LEU B 8 12.563 11.191 20.667 1.00 0.00 H new ATOM 0 HD11 LEU B 8 12.782 11.660 23.115 1.00 0.00 H new ATOM 0 HD12 LEU B 8 14.362 11.375 22.347 1.00 0.00 H new ATOM 0 HD13 LEU B 8 13.849 13.034 22.738 1.00 0.00 H new ATOM 0 HD21 LEU B 8 10.966 12.683 21.915 1.00 0.00 H new ATOM 0 HD22 LEU B 8 11.966 14.087 21.472 1.00 0.00 H new ATOM 0 HD23 LEU B 8 11.122 13.161 20.208 1.00 0.00 H new ATOM 1309 N VAL B 16 13.541 7.323 21.380 1.00 0.00 N ATOM 1310 CA VAL B 16 12.088 7.522 21.511 1.00 0.00 C ATOM 1311 C VAL B 16 11.489 7.891 20.151 1.00 0.00 C ATOM 1312 O VAL B 16 12.058 8.697 19.416 1.00 0.00 O ATOM 1313 CB VAL B 16 11.773 8.602 22.576 1.00 0.00 C ATOM 1314 CG1 VAL B 16 10.279 8.918 22.693 1.00 0.00 C ATOM 1315 CG2 VAL B 16 12.276 8.198 23.969 1.00 0.00 C ATOM 0 HA VAL B 16 11.633 6.590 21.847 1.00 0.00 H new ATOM 0 HB VAL B 16 12.297 9.491 22.226 1.00 0.00 H new ATOM 0 HG11 VAL B 16 10.127 9.682 23.456 1.00 0.00 H new ATOM 0 HG12 VAL B 16 9.908 9.283 21.735 1.00 0.00 H new ATOM 0 HG13 VAL B 16 9.737 8.014 22.971 1.00 0.00 H new ATOM 0 HG21 VAL B 16 12.034 8.983 24.685 1.00 0.00 H new ATOM 0 HG22 VAL B 16 11.795 7.269 24.274 1.00 0.00 H new ATOM 0 HG23 VAL B 16 13.356 8.055 23.938 1.00 0.00 H new ATOM 1325 N GLU B 17 10.327 7.318 19.816 1.00 0.00 N ATOM 1326 CA GLU B 17 9.593 7.593 18.573 1.00 0.00 C ATOM 1327 C GLU B 17 8.089 7.800 18.832 1.00 0.00 C ATOM 1328 O GLU B 17 7.516 7.204 19.750 1.00 0.00 O ATOM 1329 CB GLU B 17 9.834 6.489 17.525 1.00 0.00 C ATOM 1330 CG GLU B 17 11.302 6.435 17.075 1.00 0.00 C ATOM 1331 CD GLU B 17 11.593 5.451 15.930 1.00 0.00 C ATOM 1332 OE1 GLU B 17 12.777 5.061 15.778 1.00 0.00 O ATOM 1333 OE2 GLU B 17 10.676 5.074 15.157 1.00 0.00 O1- ATOM 0 H GLU B 17 9.860 6.636 20.413 1.00 0.00 H new ATOM 0 HA GLU B 17 9.982 8.527 18.167 1.00 0.00 H new ATOM 0 HB2 GLU B 17 9.547 5.524 17.942 1.00 0.00 H new ATOM 0 HB3 GLU B 17 9.195 6.665 16.659 1.00 0.00 H new ATOM 0 HG2 GLU B 17 11.608 7.434 16.763 1.00 0.00 H new ATOM 0 HG3 GLU B 17 11.920 6.166 17.932 1.00 0.00 H new ATOM 1340 N ILE B 18 7.455 8.652 18.018 1.00 0.00 N ATOM 1341 CA ILE B 18 6.037 9.034 18.136 1.00 0.00 C ATOM 1342 C ILE B 18 5.367 8.879 16.775 1.00 0.00 C ATOM 1343 O ILE B 18 5.759 9.554 15.818 1.00 0.00 O ATOM 1344 CB ILE B 18 5.879 10.482 18.655 1.00 0.00 C ATOM 1345 CG1 ILE B 18 6.658 10.724 19.968 1.00 0.00 C ATOM 1346 CG2 ILE B 18 4.390 10.851 18.824 1.00 0.00 C ATOM 1347 CD1 ILE B 18 6.749 12.207 20.334 1.00 0.00 C ATOM 0 H ILE B 18 7.924 9.109 17.236 1.00 0.00 H new ATOM 0 HA ILE B 18 5.557 8.378 18.862 1.00 0.00 H new ATOM 0 HB ILE B 18 6.313 11.137 17.900 1.00 0.00 H new ATOM 0 HG12 ILE B 18 6.172 10.183 20.780 1.00 0.00 H new ATOM 0 HG13 ILE B 18 7.664 10.315 19.870 1.00 0.00 H new ATOM 0 HG21 ILE B 18 4.308 11.874 19.190 1.00 0.00 H new ATOM 0 HG22 ILE B 18 3.883 10.768 17.863 1.00 0.00 H new ATOM 0 HG23 ILE B 18 3.926 10.172 19.539 1.00 0.00 H new ATOM 0 HD11 ILE B 18 7.306 12.319 21.264 1.00 0.00 H new ATOM 0 HD12 ILE B 18 7.260 12.748 19.538 1.00 0.00 H new ATOM 0 HD13 ILE B 18 5.745 12.613 20.461 1.00 0.00 H new ATOM 1359 N GLY B 19 4.369 8.004 16.676 1.00 0.00 N ATOM 1360 CA GLY B 19 3.627 7.737 15.443 1.00 0.00 C ATOM 1361 C GLY B 19 2.435 8.670 15.213 1.00 0.00 C ATOM 1362 O GLY B 19 2.012 9.408 16.110 1.00 0.00 O ATOM 0 H GLY B 19 4.045 7.448 17.467 1.00 0.00 H new ATOM 0 HA2 GLY B 19 4.309 7.821 14.597 1.00 0.00 H new ATOM 0 HA3 GLY B 19 3.270 6.707 15.463 1.00 0.00 H new ATOM 1366 N ASP B 20 1.865 8.601 14.005 1.00 0.00 N ATOM 1367 CA ASP B 20 0.616 9.273 13.602 1.00 0.00 C ATOM 1368 C ASP B 20 0.625 10.808 13.782 1.00 0.00 C ATOM 1369 O ASP B 20 -0.393 11.419 14.122 1.00 0.00 O ATOM 1370 CB ASP B 20 -0.618 8.581 14.233 1.00 0.00 C ATOM 1371 CG ASP B 20 -0.640 7.045 14.088 1.00 0.00 C ATOM 1372 OD1 ASP B 20 -0.097 6.491 13.099 1.00 0.00 O ATOM 1373 OD2 ASP B 20 -1.228 6.371 14.969 1.00 0.00 O1- ATOM 0 H ASP B 20 2.275 8.054 13.248 1.00 0.00 H new ATOM 0 HA ASP B 20 0.540 9.150 12.522 1.00 0.00 H new ATOM 0 HB2 ASP B 20 -0.656 8.833 15.293 1.00 0.00 H new ATOM 0 HB3 ASP B 20 -1.520 8.989 13.776 1.00 0.00 H new ATOM 1378 N VAL B 21 1.782 11.442 13.569 1.00 0.00 N ATOM 1379 CA VAL B 21 2.001 12.888 13.723 1.00 0.00 C ATOM 1380 C VAL B 21 1.425 13.662 12.534 1.00 0.00 C ATOM 1381 O VAL B 21 1.716 13.339 11.377 1.00 0.00 O ATOM 1382 CB VAL B 21 3.503 13.188 13.904 1.00 0.00 C ATOM 1383 CG1 VAL B 21 3.796 14.687 14.008 1.00 0.00 C ATOM 1384 CG2 VAL B 21 4.029 12.509 15.178 1.00 0.00 C ATOM 0 H VAL B 21 2.624 10.947 13.274 1.00 0.00 H new ATOM 0 HA VAL B 21 1.475 13.220 14.618 1.00 0.00 H new ATOM 0 HB VAL B 21 4.003 12.798 13.017 1.00 0.00 H new ATOM 0 HG11 VAL B 21 4.868 14.840 14.134 1.00 0.00 H new ATOM 0 HG12 VAL B 21 3.463 15.187 13.099 1.00 0.00 H new ATOM 0 HG13 VAL B 21 3.267 15.103 14.865 1.00 0.00 H new ATOM 0 HG21 VAL B 21 5.090 12.728 15.295 1.00 0.00 H new ATOM 0 HG22 VAL B 21 3.483 12.886 16.043 1.00 0.00 H new ATOM 0 HG23 VAL B 21 3.887 11.431 15.101 1.00 0.00 H new ATOM 1394 N LEU B 22 0.654 14.713 12.824 1.00 0.00 N ATOM 1395 CA LEU B 22 0.137 15.684 11.844 1.00 0.00 C ATOM 1396 C LEU B 22 0.958 16.979 11.777 1.00 0.00 C ATOM 1397 O LEU B 22 1.019 17.594 10.712 1.00 0.00 O ATOM 1398 CB LEU B 22 -1.335 16.010 12.160 1.00 0.00 C ATOM 1399 CG LEU B 22 -2.326 14.848 11.978 1.00 0.00 C ATOM 1400 CD1 LEU B 22 -3.741 15.377 12.219 1.00 0.00 C ATOM 1401 CD2 LEU B 22 -2.296 14.227 10.579 1.00 0.00 C ATOM 0 H LEU B 22 0.360 14.922 13.778 1.00 0.00 H new ATOM 0 HA LEU B 22 0.220 15.214 10.864 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -1.398 16.360 13.190 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -1.650 16.836 11.523 1.00 0.00 H new ATOM 0 HG LEU B 22 -2.035 14.074 12.688 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -4.459 14.566 12.094 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -3.814 15.773 13.232 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -3.960 16.169 11.503 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -3.021 13.415 10.526 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -2.547 14.986 9.838 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -1.299 13.837 10.375 1.00 0.00 H new ATOM 1413 N GLU B 23 1.610 17.391 12.872 1.00 0.00 N ATOM 1414 CA GLU B 23 2.536 18.532 12.881 1.00 0.00 C ATOM 1415 C GLU B 23 3.532 18.514 14.056 1.00 0.00 C ATOM 1416 O GLU B 23 3.301 17.883 15.096 1.00 0.00 O ATOM 1417 CB GLU B 23 1.766 19.872 12.837 1.00 0.00 C ATOM 1418 CG GLU B 23 0.819 20.104 14.018 1.00 0.00 C ATOM 1419 CD GLU B 23 0.322 21.553 13.998 1.00 0.00 C ATOM 1420 OE1 GLU B 23 -0.740 21.818 13.384 1.00 0.00 O ATOM 1421 OE2 GLU B 23 1.025 22.448 14.527 1.00 0.00 O1- ATOM 0 H GLU B 23 1.510 16.940 13.781 1.00 0.00 H new ATOM 0 HA GLU B 23 3.135 18.434 11.976 1.00 0.00 H new ATOM 0 HB2 GLU B 23 2.487 20.689 12.801 1.00 0.00 H new ATOM 0 HB3 GLU B 23 1.190 19.914 11.913 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -0.026 19.418 13.960 1.00 0.00 H new ATOM 0 HG3 GLU B 23 1.334 19.898 14.956 1.00 0.00 H new ATOM 1428 N VAL B 24 4.636 19.251 13.883 1.00 0.00 N ATOM 1429 CA VAL B 24 5.744 19.437 14.836 1.00 0.00 C ATOM 1430 C VAL B 24 6.103 20.928 14.921 1.00 0.00 C ATOM 1431 O VAL B 24 6.173 21.604 13.895 1.00 0.00 O ATOM 1432 CB VAL B 24 6.982 18.608 14.428 1.00 0.00 C ATOM 1433 CG1 VAL B 24 8.090 18.669 15.484 1.00 0.00 C ATOM 1434 CG2 VAL B 24 6.655 17.130 14.193 1.00 0.00 C ATOM 0 H VAL B 24 4.792 19.768 13.018 1.00 0.00 H new ATOM 0 HA VAL B 24 5.420 19.085 15.815 1.00 0.00 H new ATOM 0 HB VAL B 24 7.322 19.060 13.496 1.00 0.00 H new ATOM 0 HG11 VAL B 24 8.940 18.072 15.154 1.00 0.00 H new ATOM 0 HG12 VAL B 24 8.405 19.703 15.622 1.00 0.00 H new ATOM 0 HG13 VAL B 24 7.715 18.275 16.429 1.00 0.00 H new ATOM 0 HG21 VAL B 24 7.563 16.597 13.909 1.00 0.00 H new ATOM 0 HG22 VAL B 24 6.251 16.697 15.108 1.00 0.00 H new ATOM 0 HG23 VAL B 24 5.918 17.043 13.394 1.00 0.00 H new ATOM 1444 N ARG B 25 6.343 21.448 16.129 1.00 0.00 N ATOM 1445 CA ARG B 25 6.594 22.875 16.422 1.00 0.00 C ATOM 1446 C ARG B 25 7.859 23.051 17.262 1.00 0.00 C ATOM 1447 O ARG B 25 8.014 22.391 18.288 1.00 0.00 O ATOM 1448 CB ARG B 25 5.390 23.462 17.178 1.00 0.00 C ATOM 1449 CG ARG B 25 4.082 23.468 16.375 1.00 0.00 C ATOM 1450 CD ARG B 25 2.896 23.958 17.221 1.00 0.00 C ATOM 1451 NE ARG B 25 2.571 23.034 18.333 1.00 0.00 N ATOM 1452 CZ ARG B 25 1.908 21.896 18.239 1.00 0.00 C ATOM 1453 NH1 ARG B 25 1.398 21.461 17.129 1.00 0.00 N1+ ATOM 1454 NH2 ARG B 25 1.704 21.133 19.265 1.00 0.00 N ATOM 0 H ARG B 25 6.370 20.868 16.968 1.00 0.00 H new ATOM 0 HA ARG B 25 6.734 23.400 15.477 1.00 0.00 H new ATOM 0 HB2 ARG B 25 5.238 22.891 18.094 1.00 0.00 H new ATOM 0 HB3 ARG B 25 5.625 24.484 17.475 1.00 0.00 H new ATOM 0 HG2 ARG B 25 4.195 24.109 15.501 1.00 0.00 H new ATOM 0 HG3 ARG B 25 3.876 22.463 16.008 1.00 0.00 H new ATOM 0 HD2 ARG B 25 3.126 24.943 17.627 1.00 0.00 H new ATOM 0 HD3 ARG B 25 2.021 24.073 16.581 1.00 0.00 H new ATOM 0 HE ARG B 25 2.891 23.304 19.263 1.00 0.00 H new ATOM 0 HH11 ARG B 25 1.500 22.006 16.273 1.00 0.00 H new ATOM 0 HH12 ARG B 25 0.895 20.574 17.112 1.00 0.00 H new ATOM 0 HH21 ARG B 25 2.060 21.405 20.181 1.00 0.00 H new ATOM 0 HH22 ARG B 25 1.187 20.260 19.157 1.00 0.00 H new ATOM 1468 N ALA B 26 8.739 23.967 16.864 1.00 0.00 N ATOM 1469 CA ALA B 26 9.864 24.431 17.677 1.00 0.00 C ATOM 1470 C ALA B 26 9.488 25.709 18.446 1.00 0.00 C ATOM 1471 O ALA B 26 9.008 26.684 17.862 1.00 0.00 O ATOM 1472 CB ALA B 26 11.093 24.633 16.781 1.00 0.00 C ATOM 0 H ALA B 26 8.690 24.417 15.950 1.00 0.00 H new ATOM 0 HA ALA B 26 10.112 23.677 18.424 1.00 0.00 H new ATOM 0 HB1 ALA B 26 11.931 24.979 17.386 1.00 0.00 H new ATOM 0 HB2 ALA B 26 11.355 23.689 16.304 1.00 0.00 H new ATOM 0 HB3 ALA B 26 10.867 25.376 16.016 1.00 0.00 H new ATOM 1478 N GLU B 27 9.734 25.712 19.755 1.00 0.00 N ATOM 1479 CA GLU B 27 9.611 26.866 20.654 1.00 0.00 C ATOM 1480 C GLU B 27 11.001 27.327 21.135 1.00 0.00 C ATOM 1481 O GLU B 27 12.003 26.633 20.941 1.00 0.00 O ATOM 1482 CB GLU B 27 8.702 26.502 21.847 1.00 0.00 C ATOM 1483 CG GLU B 27 7.279 26.049 21.472 1.00 0.00 C ATOM 1484 CD GLU B 27 6.483 27.084 20.648 1.00 0.00 C ATOM 1485 OE1 GLU B 27 6.656 28.313 20.854 1.00 0.00 O ATOM 1486 OE2 GLU B 27 5.634 26.674 19.819 1.00 0.00 O1- ATOM 0 H GLU B 27 10.039 24.871 20.244 1.00 0.00 H new ATOM 0 HA GLU B 27 9.156 27.695 20.112 1.00 0.00 H new ATOM 0 HB2 GLU B 27 9.181 25.707 22.419 1.00 0.00 H new ATOM 0 HB3 GLU B 27 8.629 27.368 22.505 1.00 0.00 H new ATOM 0 HG2 GLU B 27 7.343 25.121 20.904 1.00 0.00 H new ATOM 0 HG3 GLU B 27 6.728 25.827 22.386 1.00 0.00 H new ATOM 1493 N GLY B 28 11.080 28.484 21.807 1.00 0.00 N ATOM 1494 CA GLY B 28 12.321 29.075 22.351 1.00 0.00 C ATOM 1495 C GLY B 28 12.926 28.347 23.567 1.00 0.00 C ATOM 1496 O GLY B 28 13.479 28.996 24.460 1.00 0.00 O ATOM 0 H GLY B 28 10.257 29.057 21.996 1.00 0.00 H new ATOM 0 HA2 GLY B 28 13.068 29.102 21.557 1.00 0.00 H new ATOM 0 HA3 GLY B 28 12.117 30.108 22.633 1.00 0.00 H new ATOM 1500 N GLY B 29 12.798 27.022 23.639 1.00 0.00 N ATOM 1501 CA GLY B 29 13.252 26.174 24.746 1.00 0.00 C ATOM 1502 C GLY B 29 12.799 24.706 24.690 1.00 0.00 C ATOM 1503 O GLY B 29 13.133 23.943 25.598 1.00 0.00 O ATOM 0 H GLY B 29 12.355 26.484 22.894 1.00 0.00 H new ATOM 0 HA2 GLY B 29 14.341 26.198 24.775 1.00 0.00 H new ATOM 0 HA3 GLY B 29 12.899 26.609 25.681 1.00 0.00 H new ATOM 1507 N ALA B 30 12.015 24.296 23.679 1.00 0.00 N ATOM 1508 CA ALA B 30 11.429 22.950 23.563 1.00 0.00 C ATOM 1509 C ALA B 30 10.975 22.635 22.124 1.00 0.00 C ATOM 1510 O ALA B 30 10.738 23.547 21.325 1.00 0.00 O ATOM 1511 CB ALA B 30 10.222 22.862 24.518 1.00 0.00 C ATOM 0 H ALA B 30 11.765 24.906 22.901 1.00 0.00 H new ATOM 0 HA ALA B 30 12.192 22.217 23.827 1.00 0.00 H new ATOM 0 HB1 ALA B 30 9.773 21.871 24.447 1.00 0.00 H new ATOM 0 HB2 ALA B 30 10.554 23.037 25.541 1.00 0.00 H new ATOM 0 HB3 ALA B 30 9.484 23.615 24.242 1.00 0.00 H new ATOM 1517 N VAL B 31 10.741 21.350 21.826 1.00 0.00 N ATOM 1518 CA VAL B 31 9.898 20.897 20.697 1.00 0.00 C ATOM 1519 C VAL B 31 8.557 20.356 21.200 1.00 0.00 C ATOM 1520 O VAL B 31 8.493 19.729 22.258 1.00 0.00 O ATOM 1521 CB VAL B 31 10.632 19.875 19.796 1.00 0.00 C ATOM 1522 CG1 VAL B 31 9.729 19.224 18.738 1.00 0.00 C ATOM 1523 CG2 VAL B 31 11.760 20.589 19.042 1.00 0.00 C ATOM 0 H VAL B 31 11.135 20.580 22.367 1.00 0.00 H new ATOM 0 HA VAL B 31 9.692 21.766 20.072 1.00 0.00 H new ATOM 0 HB VAL B 31 10.996 19.093 20.463 1.00 0.00 H new ATOM 0 HG11 VAL B 31 10.313 18.520 18.145 1.00 0.00 H new ATOM 0 HG12 VAL B 31 8.914 18.694 19.231 1.00 0.00 H new ATOM 0 HG13 VAL B 31 9.319 19.995 18.086 1.00 0.00 H new ATOM 0 HG21 VAL B 31 12.281 19.874 18.405 1.00 0.00 H new ATOM 0 HG22 VAL B 31 11.340 21.384 18.426 1.00 0.00 H new ATOM 0 HG23 VAL B 31 12.462 21.017 19.758 1.00 0.00 H new ATOM 1533 N ARG B 32 7.485 20.589 20.433 1.00 0.00 N ATOM 1534 CA ARG B 32 6.105 20.125 20.672 1.00 0.00 C ATOM 1535 C ARG B 32 5.576 19.360 19.449 1.00 0.00 C ATOM 1536 O ARG B 32 5.933 19.687 18.315 1.00 0.00 O ATOM 1537 CB ARG B 32 5.218 21.324 21.053 1.00 0.00 C ATOM 1538 CG ARG B 32 5.633 21.980 22.384 1.00 0.00 C ATOM 1539 CD ARG B 32 4.912 23.304 22.682 1.00 0.00 C ATOM 1540 NE ARG B 32 3.470 23.123 22.937 1.00 0.00 N ATOM 1541 CZ ARG B 32 2.640 23.968 23.514 1.00 0.00 C ATOM 1542 NH1 ARG B 32 3.019 25.129 23.973 1.00 0.00 N1+ ATOM 1543 NH2 ARG B 32 1.388 23.647 23.634 1.00 0.00 N ATOM 0 H ARG B 32 7.558 21.139 19.577 1.00 0.00 H new ATOM 0 HA ARG B 32 6.088 19.425 21.507 1.00 0.00 H new ATOM 0 HB2 ARG B 32 5.262 22.068 20.258 1.00 0.00 H new ATOM 0 HB3 ARG B 32 4.182 20.994 21.124 1.00 0.00 H new ATOM 0 HG2 ARG B 32 5.438 21.281 23.198 1.00 0.00 H new ATOM 0 HG3 ARG B 32 6.708 22.159 22.369 1.00 0.00 H new ATOM 0 HD2 ARG B 32 5.373 23.777 23.549 1.00 0.00 H new ATOM 0 HD3 ARG B 32 5.045 23.983 21.840 1.00 0.00 H new ATOM 0 HE ARG B 32 3.067 22.238 22.630 1.00 0.00 H new ATOM 0 HH11 ARG B 32 3.995 25.415 23.892 1.00 0.00 H new ATOM 0 HH12 ARG B 32 2.340 25.750 24.412 1.00 0.00 H new ATOM 0 HH21 ARG B 32 1.056 22.749 23.283 1.00 0.00 H new ATOM 0 HH22 ARG B 32 0.736 24.293 24.079 1.00 0.00 H new ATOM 1557 N VAL B 33 4.744 18.339 19.659 1.00 0.00 N ATOM 1558 CA VAL B 33 4.304 17.363 18.634 1.00 0.00 C ATOM 1559 C VAL B 33 2.811 17.069 18.783 1.00 0.00 C ATOM 1560 O VAL B 33 2.364 16.825 19.903 1.00 0.00 O ATOM 1561 CB VAL B 33 5.104 16.046 18.765 1.00 0.00 C ATOM 1562 CG1 VAL B 33 4.721 15.017 17.694 1.00 0.00 C ATOM 1563 CG2 VAL B 33 6.625 16.250 18.690 1.00 0.00 C ATOM 0 H VAL B 33 4.338 18.153 20.576 1.00 0.00 H new ATOM 0 HA VAL B 33 4.487 17.797 17.651 1.00 0.00 H new ATOM 0 HB VAL B 33 4.839 15.673 19.754 1.00 0.00 H new ATOM 0 HG11 VAL B 33 5.312 14.111 17.832 1.00 0.00 H new ATOM 0 HG12 VAL B 33 3.662 14.776 17.783 1.00 0.00 H new ATOM 0 HG13 VAL B 33 4.917 15.431 16.705 1.00 0.00 H new ATOM 0 HG21 VAL B 33 7.127 15.287 18.789 1.00 0.00 H new ATOM 0 HG22 VAL B 33 6.885 16.698 17.731 1.00 0.00 H new ATOM 0 HG23 VAL B 33 6.944 16.910 19.497 1.00 0.00 H new ATOM 1573 N THR B 34 2.050 17.049 17.682 1.00 0.00 N ATOM 1574 CA THR B 34 0.592 16.785 17.684 1.00 0.00 C ATOM 1575 C THR B 34 0.217 15.583 16.811 1.00 0.00 C ATOM 1576 O THR B 34 0.600 15.509 15.639 1.00 0.00 O ATOM 1577 CB THR B 34 -0.187 18.020 17.217 1.00 0.00 C ATOM 1578 OG1 THR B 34 0.018 19.082 18.125 1.00 0.00 O ATOM 1579 CG2 THR B 34 -1.705 17.814 17.145 1.00 0.00 C ATOM 0 H THR B 34 2.427 17.217 16.749 1.00 0.00 H new ATOM 0 HA THR B 34 0.320 16.551 18.713 1.00 0.00 H new ATOM 0 HB THR B 34 0.187 18.229 16.215 1.00 0.00 H new ATOM 0 HG1 THR B 34 -0.698 19.744 18.022 1.00 0.00 H new ATOM 0 HG21 THR B 34 -2.181 18.734 16.807 1.00 0.00 H new ATOM 0 HG22 THR B 34 -1.930 17.010 16.445 1.00 0.00 H new ATOM 0 HG23 THR B 34 -2.084 17.551 18.133 1.00 0.00 H new ATOM 1587 N THR B 35 -0.565 14.652 17.368 1.00 0.00 N ATOM 1588 CA THR B 35 -1.043 13.432 16.690 1.00 0.00 C ATOM 1589 C THR B 35 -2.403 13.612 15.997 1.00 0.00 C ATOM 1590 O THR B 35 -3.160 14.547 16.261 1.00 0.00 O ATOM 1591 CB THR B 35 -1.125 12.228 17.647 1.00 0.00 C ATOM 1592 OG1 THR B 35 -2.229 12.342 18.524 1.00 0.00 O ATOM 1593 CG2 THR B 35 0.147 12.034 18.478 1.00 0.00 C ATOM 0 H THR B 35 -0.895 14.724 18.330 1.00 0.00 H new ATOM 0 HA THR B 35 -0.295 13.234 15.922 1.00 0.00 H new ATOM 0 HB THR B 35 -1.247 11.356 17.005 1.00 0.00 H new ATOM 0 HG1 THR B 35 -2.257 11.563 19.118 1.00 0.00 H new ATOM 0 HG21 THR B 35 0.026 11.170 19.132 1.00 0.00 H new ATOM 0 HG22 THR B 35 0.995 11.870 17.813 1.00 0.00 H new ATOM 0 HG23 THR B 35 0.327 12.924 19.082 1.00 0.00 H new ATOM 1601 N LEU B 36 -2.748 12.645 15.140 1.00 0.00 N ATOM 1602 CA LEU B 36 -4.060 12.453 14.506 1.00 0.00 C ATOM 1603 C LEU B 36 -5.228 12.334 15.507 1.00 0.00 C ATOM 1604 O LEU B 36 -6.369 12.669 15.180 1.00 0.00 O ATOM 1605 CB LEU B 36 -3.920 11.189 13.630 1.00 0.00 C ATOM 1606 CG LEU B 36 -5.201 10.682 12.936 1.00 0.00 C ATOM 1607 CD1 LEU B 36 -5.799 11.701 11.968 1.00 0.00 C ATOM 1608 CD2 LEU B 36 -4.885 9.424 12.128 1.00 0.00 C ATOM 0 H LEU B 36 -2.079 11.931 14.852 1.00 0.00 H new ATOM 0 HA LEU B 36 -4.320 13.332 13.917 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -3.173 11.388 12.862 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.529 10.385 14.253 1.00 0.00 H new ATOM 0 HG LEU B 36 -5.921 10.489 13.731 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -6.698 11.286 11.512 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -6.055 12.611 12.510 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -5.072 11.934 11.190 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -5.792 9.068 11.639 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -4.133 9.655 11.374 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -4.504 8.650 12.794 1.00 0.00 H new ATOM 1620 N PHE B 37 -4.944 11.894 16.734 1.00 0.00 N ATOM 1621 CA PHE B 37 -5.921 11.671 17.810 1.00 0.00 C ATOM 1622 C PHE B 37 -5.945 12.795 18.867 1.00 0.00 C ATOM 1623 O PHE B 37 -6.451 12.610 19.973 1.00 0.00 O ATOM 1624 CB PHE B 37 -5.711 10.260 18.380 1.00 0.00 C ATOM 1625 CG PHE B 37 -5.772 9.202 17.292 1.00 0.00 C ATOM 1626 CD1 PHE B 37 -4.588 8.631 16.794 1.00 0.00 C ATOM 1627 CD2 PHE B 37 -7.008 8.884 16.694 1.00 0.00 C ATOM 1628 CE1 PHE B 37 -4.636 7.747 15.699 1.00 0.00 C ATOM 1629 CE2 PHE B 37 -7.057 8.006 15.597 1.00 0.00 C ATOM 1630 CZ PHE B 37 -5.870 7.444 15.096 1.00 0.00 C ATOM 0 H PHE B 37 -3.990 11.673 17.020 1.00 0.00 H new ATOM 0 HA PHE B 37 -6.928 11.720 17.395 1.00 0.00 H new ATOM 0 HB2 PHE B 37 -4.745 10.210 18.883 1.00 0.00 H new ATOM 0 HB3 PHE B 37 -6.473 10.054 19.132 1.00 0.00 H new ATOM 0 HD1 PHE B 37 -3.640 8.871 17.252 1.00 0.00 H new ATOM 0 HD2 PHE B 37 -7.920 9.316 17.079 1.00 0.00 H new ATOM 0 HE1 PHE B 37 -3.727 7.302 15.323 1.00 0.00 H new ATOM 0 HE2 PHE B 37 -8.005 7.764 15.140 1.00 0.00 H new ATOM 0 HZ PHE B 37 -5.906 6.778 14.246 1.00 0.00 H new ATOM 1640 N ASP B 38 -5.433 13.975 18.506 1.00 0.00 N ATOM 1641 CA ASP B 38 -5.404 15.213 19.307 1.00 0.00 C ATOM 1642 C ASP B 38 -4.632 15.100 20.641 1.00 0.00 C ATOM 1643 O ASP B 38 -4.904 15.833 21.595 1.00 0.00 O ATOM 1644 CB ASP B 38 -6.831 15.783 19.451 1.00 0.00 C ATOM 1645 CG ASP B 38 -6.887 17.270 19.852 1.00 0.00 C ATOM 1646 OD1 ASP B 38 -7.916 17.687 20.443 1.00 0.00 O ATOM 1647 OD2 ASP B 38 -5.956 18.048 19.523 1.00 0.00 O1- ATOM 0 H ASP B 38 -5.000 14.105 17.592 1.00 0.00 H new ATOM 0 HA ASP B 38 -4.809 15.940 18.754 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -7.357 15.655 18.505 1.00 0.00 H new ATOM 0 HB3 ASP B 38 -7.369 15.198 20.197 1.00 0.00 H new ATOM 1652 N GLU B 39 -3.666 14.176 20.732 1.00 0.00 N ATOM 1653 CA GLU B 39 -2.671 14.165 21.811 1.00 0.00 C ATOM 1654 C GLU B 39 -1.530 15.143 21.493 1.00 0.00 C ATOM 1655 O GLU B 39 -1.103 15.260 20.339 1.00 0.00 O ATOM 1656 CB GLU B 39 -2.099 12.753 22.032 1.00 0.00 C ATOM 1657 CG GLU B 39 -3.146 11.689 22.405 1.00 0.00 C ATOM 1658 CD GLU B 39 -3.924 11.993 23.704 1.00 0.00 C ATOM 1659 OE1 GLU B 39 -5.083 11.524 23.845 1.00 0.00 O ATOM 1660 OE2 GLU B 39 -3.379 12.668 24.617 1.00 0.00 O1- ATOM 0 H GLU B 39 -3.553 13.417 20.060 1.00 0.00 H new ATOM 0 HA GLU B 39 -3.172 14.478 22.727 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -1.586 12.437 21.124 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -1.349 12.799 22.822 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -3.856 11.591 21.584 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -2.647 10.726 22.511 1.00 0.00 H new ATOM 1667 N GLU B 40 -1.007 15.823 22.516 1.00 0.00 N ATOM 1668 CA GLU B 40 0.215 16.628 22.436 1.00 0.00 C ATOM 1669 C GLU B 40 1.342 16.034 23.302 1.00 0.00 C ATOM 1670 O GLU B 40 1.125 15.653 24.460 1.00 0.00 O ATOM 1671 CB GLU B 40 -0.064 18.098 22.782 1.00 0.00 C ATOM 1672 CG GLU B 40 1.211 18.954 22.651 1.00 0.00 C ATOM 1673 CD GLU B 40 0.964 20.464 22.735 1.00 0.00 C ATOM 1674 OE1 GLU B 40 1.662 21.231 22.029 1.00 0.00 O ATOM 1675 OE2 GLU B 40 0.119 20.942 23.529 1.00 0.00 O1- ATOM 0 H GLU B 40 -1.431 15.830 23.444 1.00 0.00 H new ATOM 0 HA GLU B 40 0.563 16.601 21.403 1.00 0.00 H new ATOM 0 HB2 GLU B 40 -0.837 18.489 22.121 1.00 0.00 H new ATOM 0 HB3 GLU B 40 -0.449 18.168 23.799 1.00 0.00 H new ATOM 0 HG2 GLU B 40 1.910 18.667 23.436 1.00 0.00 H new ATOM 0 HG3 GLU B 40 1.691 18.728 21.699 1.00 0.00 H new ATOM 1682 N HIS B 41 2.557 16.012 22.750 1.00 0.00 N ATOM 1683 CA HIS B 41 3.806 15.662 23.437 1.00 0.00 C ATOM 1684 C HIS B 41 4.774 16.851 23.412 1.00 0.00 C ATOM 1685 O HIS B 41 4.732 17.651 22.473 1.00 0.00 O ATOM 1686 CB HIS B 41 4.432 14.415 22.790 1.00 0.00 C ATOM 1687 CG HIS B 41 3.483 13.253 22.644 1.00 0.00 C ATOM 1688 ND1 HIS B 41 3.136 12.352 23.658 1.00 0.00 N ATOM 1689 CD2 HIS B 41 2.787 12.931 21.512 1.00 0.00 C ATOM 1690 CE1 HIS B 41 2.244 11.506 23.110 1.00 0.00 C ATOM 1691 NE2 HIS B 41 2.020 11.829 21.821 1.00 0.00 N ATOM 0 H HIS B 41 2.706 16.248 21.769 1.00 0.00 H new ATOM 0 HA HIS B 41 3.590 15.428 24.480 1.00 0.00 H new ATOM 0 HB2 HIS B 41 4.814 14.683 21.805 1.00 0.00 H new ATOM 0 HB3 HIS B 41 5.286 14.099 23.388 1.00 0.00 H new ATOM 0 HD2 HIS B 41 2.830 13.441 20.561 1.00 0.00 H new ATOM 0 HE1 HIS B 41 1.774 10.684 23.630 1.00 0.00 H new ATOM 0 HE2 HIS B 41 1.391 11.341 21.183 1.00 0.00 H new ATOM 1699 N ALA B 42 5.647 16.976 24.418 1.00 0.00 N ATOM 1700 CA ALA B 42 6.575 18.104 24.556 1.00 0.00 C ATOM 1701 C ALA B 42 7.933 17.689 25.165 1.00 0.00 C ATOM 1702 O ALA B 42 7.989 16.866 26.083 1.00 0.00 O ATOM 1703 CB ALA B 42 5.898 19.210 25.378 1.00 0.00 C ATOM 0 H ALA B 42 5.730 16.289 25.167 1.00 0.00 H new ATOM 0 HA ALA B 42 6.807 18.482 23.560 1.00 0.00 H new ATOM 0 HB1 ALA B 42 6.581 20.053 25.486 1.00 0.00 H new ATOM 0 HB2 ALA B 42 4.992 19.539 24.869 1.00 0.00 H new ATOM 0 HB3 ALA B 42 5.640 18.824 26.364 1.00 0.00 H new ATOM 1709 N PHE B 43 9.019 18.277 24.652 1.00 0.00 N ATOM 1710 CA PHE B 43 10.414 17.890 24.929 1.00 0.00 C ATOM 1711 C PHE B 43 11.328 19.123 25.072 1.00 0.00 C ATOM 1712 O PHE B 43 11.793 19.669 24.062 1.00 0.00 O ATOM 1713 CB PHE B 43 10.905 16.944 23.824 1.00 0.00 C ATOM 1714 CG PHE B 43 10.043 15.711 23.650 1.00 0.00 C ATOM 1715 CD1 PHE B 43 9.022 15.695 22.686 1.00 0.00 C ATOM 1716 CD2 PHE B 43 10.205 14.613 24.520 1.00 0.00 C ATOM 1717 CE1 PHE B 43 8.142 14.597 22.611 1.00 0.00 C ATOM 1718 CE2 PHE B 43 9.330 13.514 24.441 1.00 0.00 C ATOM 1719 CZ PHE B 43 8.298 13.509 23.491 1.00 0.00 C ATOM 0 H PHE B 43 8.952 19.065 24.008 1.00 0.00 H new ATOM 0 HA PHE B 43 10.453 17.367 25.884 1.00 0.00 H new ATOM 0 HB2 PHE B 43 10.939 17.489 22.880 1.00 0.00 H new ATOM 0 HB3 PHE B 43 11.925 16.634 24.050 1.00 0.00 H new ATOM 0 HD1 PHE B 43 8.911 16.524 22.002 1.00 0.00 H new ATOM 0 HD2 PHE B 43 11.002 14.616 25.248 1.00 0.00 H new ATOM 0 HE1 PHE B 43 7.348 14.590 21.879 1.00 0.00 H new ATOM 0 HE2 PHE B 43 9.453 12.676 25.111 1.00 0.00 H new ATOM 0 HZ PHE B 43 7.622 12.669 23.434 1.00 0.00 H new ATOM 1729 N PRO B 44 11.595 19.591 26.309 1.00 0.00 N ATOM 1730 CA PRO B 44 12.515 20.696 26.571 1.00 0.00 C ATOM 1731 C PRO B 44 13.947 20.419 26.083 1.00 0.00 C ATOM 1732 O PRO B 44 14.450 19.296 26.162 1.00 0.00 O ATOM 1733 CB PRO B 44 12.473 20.929 28.086 1.00 0.00 C ATOM 1734 CG PRO B 44 11.106 20.381 28.487 1.00 0.00 C ATOM 1735 CD PRO B 44 10.931 19.197 27.540 1.00 0.00 C ATOM 0 HA PRO B 44 12.205 21.582 26.016 1.00 0.00 H new ATOM 0 HB2 PRO B 44 13.282 20.406 28.596 1.00 0.00 H new ATOM 0 HB3 PRO B 44 12.571 21.986 28.333 1.00 0.00 H new ATOM 0 HG2 PRO B 44 11.084 20.071 29.532 1.00 0.00 H new ATOM 0 HG3 PRO B 44 10.318 21.123 28.358 1.00 0.00 H new ATOM 0 HD2 PRO B 44 11.375 18.292 27.955 1.00 0.00 H new ATOM 0 HD3 PRO B 44 9.876 18.984 27.367 1.00 0.00 H new ATOM 1743 N GLY B 45 14.614 21.465 25.594 1.00 0.00 N ATOM 1744 CA GLY B 45 16.017 21.444 25.166 1.00 0.00 C ATOM 1745 C GLY B 45 16.280 20.800 23.798 1.00 0.00 C ATOM 1746 O GLY B 45 17.442 20.651 23.410 1.00 0.00 O ATOM 0 H GLY B 45 14.180 22.381 25.480 1.00 0.00 H new ATOM 0 HA2 GLY B 45 16.387 22.469 25.143 1.00 0.00 H new ATOM 0 HA3 GLY B 45 16.600 20.911 25.917 1.00 0.00 H new ATOM 1750 N LEU B 46 15.236 20.418 23.058 1.00 0.00 N ATOM 1751 CA LEU B 46 15.332 19.975 21.664 1.00 0.00 C ATOM 1752 C LEU B 46 15.014 21.097 20.660 1.00 0.00 C ATOM 1753 O LEU B 46 14.352 22.083 20.990 1.00 0.00 O ATOM 1754 CB LEU B 46 14.432 18.749 21.420 1.00 0.00 C ATOM 1755 CG LEU B 46 14.738 17.506 22.277 1.00 0.00 C ATOM 1756 CD1 LEU B 46 13.906 16.322 21.777 1.00 0.00 C ATOM 1757 CD2 LEU B 46 16.206 17.077 22.200 1.00 0.00 C ATOM 0 H LEU B 46 14.282 20.408 23.418 1.00 0.00 H new ATOM 0 HA LEU B 46 16.370 19.690 21.494 1.00 0.00 H new ATOM 0 HB2 LEU B 46 13.397 19.042 21.597 1.00 0.00 H new ATOM 0 HB3 LEU B 46 14.509 18.470 20.369 1.00 0.00 H new ATOM 0 HG LEU B 46 14.499 17.778 23.305 1.00 0.00 H new ATOM 0 HD11 LEU B 46 14.123 15.443 22.384 1.00 0.00 H new ATOM 0 HD12 LEU B 46 12.846 16.564 21.854 1.00 0.00 H new ATOM 0 HD13 LEU B 46 14.156 16.115 20.736 1.00 0.00 H new ATOM 0 HD21 LEU B 46 16.361 16.197 22.824 1.00 0.00 H new ATOM 0 HD22 LEU B 46 16.462 16.840 21.167 1.00 0.00 H new ATOM 0 HD23 LEU B 46 16.841 17.889 22.554 1.00 0.00 H new ATOM 1769 N ALA B 47 15.452 20.884 19.420 1.00 0.00 N ATOM 1770 CA ALA B 47 15.113 21.641 18.217 1.00 0.00 C ATOM 1771 C ALA B 47 14.874 20.672 17.036 1.00 0.00 C ATOM 1772 O ALA B 47 15.344 19.529 17.058 1.00 0.00 O ATOM 1773 CB ALA B 47 16.234 22.648 17.937 1.00 0.00 C ATOM 0 H ALA B 47 16.100 20.123 19.216 1.00 0.00 H new ATOM 0 HA ALA B 47 14.187 22.199 18.358 1.00 0.00 H new ATOM 0 HB1 ALA B 47 15.994 23.220 17.041 1.00 0.00 H new ATOM 0 HB2 ALA B 47 16.334 23.326 18.785 1.00 0.00 H new ATOM 0 HB3 ALA B 47 17.173 22.115 17.786 1.00 0.00 H new ATOM 1779 N ILE B 48 14.142 21.104 16.007 1.00 0.00 N ATOM 1780 CA ILE B 48 13.894 20.288 14.806 1.00 0.00 C ATOM 1781 C ILE B 48 15.161 20.263 13.929 1.00 0.00 C ATOM 1782 O ILE B 48 15.661 21.321 13.533 1.00 0.00 O ATOM 1783 CB ILE B 48 12.651 20.794 14.032 1.00 0.00 C ATOM 1784 CG1 ILE B 48 11.379 20.823 14.918 1.00 0.00 C ATOM 1785 CG2 ILE B 48 12.416 19.911 12.793 1.00 0.00 C ATOM 1786 CD1 ILE B 48 10.221 21.613 14.291 1.00 0.00 C ATOM 0 H ILE B 48 13.704 22.025 15.978 1.00 0.00 H new ATOM 0 HA ILE B 48 13.671 19.264 15.106 1.00 0.00 H new ATOM 0 HB ILE B 48 12.850 21.820 13.722 1.00 0.00 H new ATOM 0 HG12 ILE B 48 11.052 19.800 15.106 1.00 0.00 H new ATOM 0 HG13 ILE B 48 11.628 21.261 15.885 1.00 0.00 H new ATOM 0 HG21 ILE B 48 11.541 20.270 12.251 1.00 0.00 H new ATOM 0 HG22 ILE B 48 13.290 19.957 12.143 1.00 0.00 H new ATOM 0 HG23 ILE B 48 12.251 18.880 13.107 1.00 0.00 H new ATOM 0 HD11 ILE B 48 9.362 21.594 14.962 1.00 0.00 H new ATOM 0 HD12 ILE B 48 10.531 22.645 14.128 1.00 0.00 H new ATOM 0 HD13 ILE B 48 9.947 21.162 13.338 1.00 0.00 H new ATOM 1798 N GLY B 49 15.696 19.070 13.647 1.00 0.00 N ATOM 1799 CA GLY B 49 16.961 18.874 12.929 1.00 0.00 C ATOM 1800 C GLY B 49 16.797 18.499 11.451 1.00 0.00 C ATOM 1801 O GLY B 49 17.507 19.041 10.601 1.00 0.00 O ATOM 0 H GLY B 49 15.251 18.193 13.918 1.00 0.00 H new ATOM 0 HA2 GLY B 49 17.549 19.789 12.996 1.00 0.00 H new ATOM 0 HA3 GLY B 49 17.531 18.091 13.429 1.00 0.00 H new ATOM 1805 N ARG B 50 15.858 17.599 11.121 1.00 0.00 N ATOM 1806 CA ARG B 50 15.611 17.112 9.754 1.00 0.00 C ATOM 1807 C ARG B 50 14.137 16.794 9.503 1.00 0.00 C ATOM 1808 O ARG B 50 13.454 16.301 10.393 1.00 0.00 O ATOM 1809 CB ARG B 50 16.507 15.886 9.479 1.00 0.00 C ATOM 1810 CG ARG B 50 16.617 15.572 7.978 1.00 0.00 C ATOM 1811 CD ARG B 50 17.644 14.465 7.703 1.00 0.00 C ATOM 1812 NE ARG B 50 17.023 13.131 7.604 1.00 0.00 N ATOM 1813 CZ ARG B 50 16.482 12.579 6.532 1.00 0.00 C ATOM 1814 NH1 ARG B 50 16.456 13.161 5.369 1.00 0.00 N1+ ATOM 1815 NH2 ARG B 50 15.907 11.415 6.582 1.00 0.00 N ATOM 0 H ARG B 50 15.235 17.180 11.812 1.00 0.00 H new ATOM 0 HA ARG B 50 15.867 17.910 9.057 1.00 0.00 H new ATOM 0 HB2 ARG B 50 17.502 16.067 9.884 1.00 0.00 H new ATOM 0 HB3 ARG B 50 16.103 15.019 10.001 1.00 0.00 H new ATOM 0 HG2 ARG B 50 15.642 15.267 7.598 1.00 0.00 H new ATOM 0 HG3 ARG B 50 16.901 16.475 7.437 1.00 0.00 H new ATOM 0 HD2 ARG B 50 18.172 14.686 6.776 1.00 0.00 H new ATOM 0 HD3 ARG B 50 18.388 14.458 8.500 1.00 0.00 H new ATOM 0 HE ARG B 50 17.010 12.573 8.457 1.00 0.00 H new ATOM 0 HH11 ARG B 50 16.866 14.088 5.253 1.00 0.00 H new ATOM 0 HH12 ARG B 50 16.026 12.691 4.573 1.00 0.00 H new ATOM 0 HH21 ARG B 50 15.865 10.904 7.464 1.00 0.00 H new ATOM 0 HH22 ARG B 50 15.497 11.012 5.739 1.00 0.00 H new ATOM 1829 N VAL B 51 13.684 17.017 8.273 1.00 0.00 N ATOM 1830 CA VAL B 51 12.368 16.629 7.744 1.00 0.00 C ATOM 1831 C VAL B 51 12.565 15.823 6.463 1.00 0.00 C ATOM 1832 O VAL B 51 13.381 16.193 5.619 1.00 0.00 O ATOM 1833 CB VAL B 51 11.494 17.865 7.464 1.00 0.00 C ATOM 1834 CG1 VAL B 51 10.110 17.496 6.913 1.00 0.00 C ATOM 1835 CG2 VAL B 51 11.295 18.709 8.724 1.00 0.00 C ATOM 0 H VAL B 51 14.251 17.499 7.576 1.00 0.00 H new ATOM 0 HA VAL B 51 11.854 16.022 8.489 1.00 0.00 H new ATOM 0 HB VAL B 51 12.035 18.438 6.711 1.00 0.00 H new ATOM 0 HG11 VAL B 51 9.536 18.405 6.734 1.00 0.00 H new ATOM 0 HG12 VAL B 51 10.225 16.949 5.977 1.00 0.00 H new ATOM 0 HG13 VAL B 51 9.585 16.872 7.636 1.00 0.00 H new ATOM 0 HG21 VAL B 51 10.673 19.573 8.489 1.00 0.00 H new ATOM 0 HG22 VAL B 51 10.806 18.108 9.491 1.00 0.00 H new ATOM 0 HG23 VAL B 51 12.264 19.048 9.091 1.00 0.00 H new ATOM 1845 N ASP B 52 11.804 14.743 6.305 1.00 0.00 N ATOM 1846 CA ASP B 52 11.851 13.867 5.133 1.00 0.00 C ATOM 1847 C ASP B 52 10.449 13.318 4.832 1.00 0.00 C ATOM 1848 O ASP B 52 9.985 12.358 5.450 1.00 0.00 O ATOM 1849 CB ASP B 52 12.884 12.760 5.398 1.00 0.00 C ATOM 1850 CG ASP B 52 13.289 11.988 4.141 1.00 0.00 C ATOM 1851 OD1 ASP B 52 14.483 11.611 4.040 1.00 0.00 O ATOM 1852 OD2 ASP B 52 12.437 11.749 3.258 1.00 0.00 O1- ATOM 0 H ASP B 52 11.122 14.444 7.002 1.00 0.00 H new ATOM 0 HA ASP B 52 12.163 14.415 4.244 1.00 0.00 H new ATOM 0 HB2 ASP B 52 13.774 13.204 5.844 1.00 0.00 H new ATOM 0 HB3 ASP B 52 12.476 12.061 6.128 1.00 0.00 H new ATOM 1857 N LEU B 53 9.744 13.964 3.901 1.00 0.00 N ATOM 1858 CA LEU B 53 8.357 13.656 3.527 1.00 0.00 C ATOM 1859 C LEU B 53 8.252 12.449 2.577 1.00 0.00 C ATOM 1860 O LEU B 53 7.202 11.812 2.472 1.00 0.00 O ATOM 1861 CB LEU B 53 7.741 14.912 2.895 1.00 0.00 C ATOM 1862 CG LEU B 53 7.822 16.186 3.753 1.00 0.00 C ATOM 1863 CD1 LEU B 53 7.078 17.304 3.039 1.00 0.00 C ATOM 1864 CD2 LEU B 53 7.211 16.018 5.145 1.00 0.00 C ATOM 0 H LEU B 53 10.133 14.742 3.368 1.00 0.00 H new ATOM 0 HA LEU B 53 7.807 13.373 4.424 1.00 0.00 H new ATOM 0 HB2 LEU B 53 8.239 15.102 1.944 1.00 0.00 H new ATOM 0 HB3 LEU B 53 6.693 14.710 2.672 1.00 0.00 H new ATOM 0 HG LEU B 53 8.880 16.414 3.885 1.00 0.00 H new ATOM 0 HD11 LEU B 53 7.128 18.214 3.637 1.00 0.00 H new ATOM 0 HD12 LEU B 53 7.537 17.483 2.067 1.00 0.00 H new ATOM 0 HD13 LEU B 53 6.036 17.017 2.901 1.00 0.00 H new ATOM 0 HD21 LEU B 53 7.301 16.953 5.697 1.00 0.00 H new ATOM 0 HD22 LEU B 53 6.158 15.753 5.051 1.00 0.00 H new ATOM 0 HD23 LEU B 53 7.738 15.228 5.681 1.00 0.00 H new ATOM 1876 N ARG B 54 9.364 12.108 1.916 1.00 0.00 N ATOM 1877 CA ARG B 54 9.559 10.878 1.126 1.00 0.00 C ATOM 1878 C ARG B 54 9.627 9.654 2.053 1.00 0.00 C ATOM 1879 O ARG B 54 8.982 8.644 1.778 1.00 0.00 O ATOM 1880 CB ARG B 54 10.836 11.105 0.290 1.00 0.00 C ATOM 1881 CG ARG B 54 11.561 9.852 -0.238 1.00 0.00 C ATOM 1882 CD ARG B 54 12.972 10.213 -0.735 1.00 0.00 C ATOM 1883 NE ARG B 54 13.812 10.717 0.375 1.00 0.00 N ATOM 1884 CZ ARG B 54 14.745 11.648 0.320 1.00 0.00 C ATOM 1885 NH1 ARG B 54 15.173 12.174 -0.788 1.00 0.00 N1+ ATOM 1886 NH2 ARG B 54 15.284 12.101 1.410 1.00 0.00 N ATOM 0 H ARG B 54 10.191 12.705 1.914 1.00 0.00 H new ATOM 0 HA ARG B 54 8.726 10.670 0.454 1.00 0.00 H new ATOM 0 HB2 ARG B 54 10.575 11.730 -0.564 1.00 0.00 H new ATOM 0 HB3 ARG B 54 11.541 11.673 0.897 1.00 0.00 H new ATOM 0 HG2 ARG B 54 11.628 9.104 0.552 1.00 0.00 H new ATOM 0 HG3 ARG B 54 10.986 9.407 -1.050 1.00 0.00 H new ATOM 0 HD2 ARG B 54 13.440 9.335 -1.181 1.00 0.00 H new ATOM 0 HD3 ARG B 54 12.904 10.969 -1.517 1.00 0.00 H new ATOM 0 HE ARG B 54 13.650 10.295 1.289 1.00 0.00 H new ATOM 0 HH11 ARG B 54 14.784 11.870 -1.681 1.00 0.00 H new ATOM 0 HH12 ARG B 54 15.898 12.891 -0.765 1.00 0.00 H new ATOM 0 HH21 ARG B 54 14.987 11.737 2.315 1.00 0.00 H new ATOM 0 HH22 ARG B 54 16.005 12.821 1.361 1.00 0.00 H new ATOM 1900 N SER B 55 10.365 9.765 3.161 1.00 0.00 N ATOM 1901 CA SER B 55 10.465 8.744 4.222 1.00 0.00 C ATOM 1902 C SER B 55 9.251 8.741 5.171 1.00 0.00 C ATOM 1903 O SER B 55 8.844 7.683 5.665 1.00 0.00 O ATOM 1904 CB SER B 55 11.767 8.979 4.996 1.00 0.00 C ATOM 1905 OG SER B 55 12.010 7.957 5.951 1.00 0.00 O ATOM 0 H SER B 55 10.929 10.592 3.356 1.00 0.00 H new ATOM 0 HA SER B 55 10.472 7.760 3.753 1.00 0.00 H new ATOM 0 HB2 SER B 55 12.601 9.027 4.296 1.00 0.00 H new ATOM 0 HB3 SER B 55 11.719 9.944 5.501 1.00 0.00 H new ATOM 0 HG SER B 55 12.849 8.142 6.422 1.00 0.00 H new ATOM 1911 N GLY B 56 8.645 9.910 5.412 1.00 0.00 N ATOM 1912 CA GLY B 56 7.579 10.120 6.400 1.00 0.00 C ATOM 1913 C GLY B 56 8.096 10.318 7.829 1.00 0.00 C ATOM 1914 O GLY B 56 7.493 9.807 8.775 1.00 0.00 O ATOM 0 H GLY B 56 8.891 10.763 4.909 1.00 0.00 H new ATOM 0 HA2 GLY B 56 6.994 10.993 6.110 1.00 0.00 H new ATOM 0 HA3 GLY B 56 6.905 9.264 6.382 1.00 0.00 H new ATOM 1918 N VAL B 57 9.237 11.002 7.999 1.00 0.00 N ATOM 1919 CA VAL B 57 9.985 11.109 9.269 1.00 0.00 C ATOM 1920 C VAL B 57 10.456 12.545 9.561 1.00 0.00 C ATOM 1921 O VAL B 57 10.884 13.269 8.657 1.00 0.00 O ATOM 1922 CB VAL B 57 11.183 10.128 9.290 1.00 0.00 C ATOM 1923 CG1 VAL B 57 11.984 10.183 10.605 1.00 0.00 C ATOM 1924 CG2 VAL B 57 10.727 8.673 9.119 1.00 0.00 C ATOM 0 H VAL B 57 9.681 11.513 7.236 1.00 0.00 H new ATOM 0 HA VAL B 57 9.291 10.834 10.063 1.00 0.00 H new ATOM 0 HB VAL B 57 11.812 10.447 8.459 1.00 0.00 H new ATOM 0 HG11 VAL B 57 12.810 9.473 10.558 1.00 0.00 H new ATOM 0 HG12 VAL B 57 12.378 11.189 10.749 1.00 0.00 H new ATOM 0 HG13 VAL B 57 11.332 9.926 11.439 1.00 0.00 H new ATOM 0 HG21 VAL B 57 11.596 8.015 9.139 1.00 0.00 H new ATOM 0 HG22 VAL B 57 10.051 8.406 9.931 1.00 0.00 H new ATOM 0 HG23 VAL B 57 10.210 8.563 8.165 1.00 0.00 H new ATOM 1934 N ILE B 58 10.419 12.938 10.841 1.00 0.00 N ATOM 1935 CA ILE B 58 11.027 14.165 11.385 1.00 0.00 C ATOM 1936 C ILE B 58 12.004 13.797 12.514 1.00 0.00 C ATOM 1937 O ILE B 58 11.626 13.106 13.458 1.00 0.00 O ATOM 1938 CB ILE B 58 9.942 15.166 11.853 1.00 0.00 C ATOM 1939 CG1 ILE B 58 9.078 15.670 10.671 1.00 0.00 C ATOM 1940 CG2 ILE B 58 10.574 16.389 12.548 1.00 0.00 C ATOM 1941 CD1 ILE B 58 7.757 14.908 10.520 1.00 0.00 C ATOM 0 H ILE B 58 9.945 12.388 11.558 1.00 0.00 H new ATOM 0 HA ILE B 58 11.590 14.667 10.598 1.00 0.00 H new ATOM 0 HB ILE B 58 9.309 14.625 12.557 1.00 0.00 H new ATOM 0 HG12 ILE B 58 8.865 16.730 10.811 1.00 0.00 H new ATOM 0 HG13 ILE B 58 9.650 15.580 9.747 1.00 0.00 H new ATOM 0 HG21 ILE B 58 9.788 17.074 12.865 1.00 0.00 H new ATOM 0 HG22 ILE B 58 11.142 16.060 13.418 1.00 0.00 H new ATOM 0 HG23 ILE B 58 11.240 16.899 11.852 1.00 0.00 H new ATOM 0 HD11 ILE B 58 7.200 15.310 9.674 1.00 0.00 H new ATOM 0 HD12 ILE B 58 7.964 13.852 10.349 1.00 0.00 H new ATOM 0 HD13 ILE B 58 7.167 15.019 11.430 1.00 0.00 H new ATOM 1953 N SER B 59 13.249 14.264 12.428 1.00 0.00 N ATOM 1954 CA SER B 59 14.316 13.994 13.406 1.00 0.00 C ATOM 1955 C SER B 59 14.635 15.227 14.249 1.00 0.00 C ATOM 1956 O SER B 59 14.830 16.314 13.702 1.00 0.00 O ATOM 1957 CB SER B 59 15.599 13.514 12.713 1.00 0.00 C ATOM 1958 OG SER B 59 15.358 12.371 11.903 1.00 0.00 O ATOM 0 H SER B 59 13.557 14.857 11.657 1.00 0.00 H new ATOM 0 HA SER B 59 13.944 13.206 14.061 1.00 0.00 H new ATOM 0 HB2 SER B 59 16.004 14.318 12.098 1.00 0.00 H new ATOM 0 HB3 SER B 59 16.352 13.277 13.464 1.00 0.00 H new ATOM 0 HG SER B 59 16.194 12.092 11.475 1.00 0.00 H new ATOM 1964 N LEU B 60 14.728 15.060 15.571 1.00 0.00 N ATOM 1965 CA LEU B 60 15.072 16.129 16.520 1.00 0.00 C ATOM 1966 C LEU B 60 16.544 16.050 16.987 1.00 0.00 C ATOM 1967 O LEU B 60 17.162 14.985 16.991 1.00 0.00 O ATOM 1968 CB LEU B 60 14.100 16.115 17.715 1.00 0.00 C ATOM 1969 CG LEU B 60 12.598 16.069 17.357 1.00 0.00 C ATOM 1970 CD1 LEU B 60 11.772 16.187 18.639 1.00 0.00 C ATOM 1971 CD2 LEU B 60 12.171 17.191 16.412 1.00 0.00 C ATOM 0 H LEU B 60 14.563 14.161 16.023 1.00 0.00 H new ATOM 0 HA LEU B 60 14.967 17.080 15.998 1.00 0.00 H new ATOM 0 HB2 LEU B 60 14.333 15.252 18.339 1.00 0.00 H new ATOM 0 HB3 LEU B 60 14.283 17.003 18.319 1.00 0.00 H new ATOM 0 HG LEU B 60 12.426 15.121 16.848 1.00 0.00 H new ATOM 0 HD11 LEU B 60 10.711 16.155 18.392 1.00 0.00 H new ATOM 0 HD12 LEU B 60 12.015 15.359 19.306 1.00 0.00 H new ATOM 0 HD13 LEU B 60 12.001 17.131 19.134 1.00 0.00 H new ATOM 0 HD21 LEU B 60 11.106 17.102 16.200 1.00 0.00 H new ATOM 0 HD22 LEU B 60 12.369 18.156 16.880 1.00 0.00 H new ATOM 0 HD23 LEU B 60 12.734 17.117 15.481 1.00 0.00 H new ATOM 1983 N ILE B 61 17.088 17.200 17.398 1.00 0.00 N ATOM 1984 CA ILE B 61 18.479 17.404 17.850 1.00 0.00 C ATOM 1985 C ILE B 61 18.541 18.308 19.095 1.00 0.00 C ATOM 1986 O ILE B 61 17.581 19.012 19.410 1.00 0.00 O ATOM 1987 CB ILE B 61 19.362 17.964 16.711 1.00 0.00 C ATOM 1988 CG1 ILE B 61 18.903 19.352 16.198 1.00 0.00 C ATOM 1989 CG2 ILE B 61 19.449 16.964 15.547 1.00 0.00 C ATOM 1990 CD1 ILE B 61 19.777 20.500 16.709 1.00 0.00 C ATOM 0 H ILE B 61 16.545 18.063 17.428 1.00 0.00 H new ATOM 0 HA ILE B 61 18.876 16.429 18.132 1.00 0.00 H new ATOM 0 HB ILE B 61 20.353 18.107 17.141 1.00 0.00 H new ATOM 0 HG12 ILE B 61 18.914 19.352 15.108 1.00 0.00 H new ATOM 0 HG13 ILE B 61 17.872 19.524 16.506 1.00 0.00 H new ATOM 0 HG21 ILE B 61 20.075 17.379 14.757 1.00 0.00 H new ATOM 0 HG22 ILE B 61 19.884 16.030 15.902 1.00 0.00 H new ATOM 0 HG23 ILE B 61 18.450 16.773 15.156 1.00 0.00 H new ATOM 0 HD11 ILE B 61 19.404 21.445 16.314 1.00 0.00 H new ATOM 0 HD12 ILE B 61 19.746 20.524 17.798 1.00 0.00 H new ATOM 0 HD13 ILE B 61 20.805 20.350 16.379 1.00 0.00 H new ATOM 2002 N GLU B 62 19.659 18.301 19.821 1.00 0.00 N ATOM 2003 CA GLU B 62 19.856 19.127 21.025 1.00 0.00 C ATOM 2004 C GLU B 62 20.037 20.612 20.671 1.00 0.00 C ATOM 2005 O GLU B 62 20.961 20.984 19.948 1.00 0.00 O ATOM 2006 CB GLU B 62 21.057 18.630 21.844 1.00 0.00 C ATOM 2007 CG GLU B 62 20.840 17.221 22.412 1.00 0.00 C ATOM 2008 CD GLU B 62 21.962 16.817 23.385 1.00 0.00 C ATOM 2009 OE1 GLU B 62 23.162 17.000 23.052 1.00 0.00 O ATOM 2010 OE2 GLU B 62 21.661 16.301 24.489 1.00 0.00 O1- ATOM 0 H GLU B 62 20.464 17.718 19.592 1.00 0.00 H new ATOM 0 HA GLU B 62 18.955 19.031 21.630 1.00 0.00 H new ATOM 0 HB2 GLU B 62 21.947 18.631 21.215 1.00 0.00 H new ATOM 0 HB3 GLU B 62 21.245 19.323 22.664 1.00 0.00 H new ATOM 0 HG2 GLU B 62 19.880 17.181 22.927 1.00 0.00 H new ATOM 0 HG3 GLU B 62 20.793 16.503 21.594 1.00 0.00 H new