USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=12 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+ -164:sc= 1.26 (180deg=1.16) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0927 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 179:sc= 0 (180deg=-0.00298) USER MOD Single : B 5 LYS NZ :NH3+ -167:sc= 1.23 (180deg=1.08) USER MOD Single : B 34 THR OG1 : rot 180:sc= 0 USER MOD Single : B 35 THR OG1 : rot -66:sc= 0.391 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 5.571 11.511 0.060 1.00 0.00 N ATOM 60 CA CYS A 2 4.913 12.823 0.148 1.00 0.00 C ATOM 61 C CYS A 2 5.829 13.956 -0.370 1.00 0.00 C ATOM 62 O CYS A 2 7.024 13.764 -0.617 1.00 0.00 O ATOM 63 CB CYS A 2 4.475 13.110 1.599 1.00 0.00 C ATOM 64 SG CYS A 2 3.268 11.983 2.336 1.00 0.00 S ATOM 0 HA CYS A 2 4.030 12.792 -0.490 1.00 0.00 H new ATOM 0 HB2 CYS A 2 5.366 13.109 2.227 1.00 0.00 H new ATOM 0 HB3 CYS A 2 4.061 14.118 1.634 1.00 0.00 H new ATOM 0 HG CYS A 2 3.009 12.360 3.553 1.00 0.00 H new ATOM 69 N MET A 3 5.274 15.169 -0.468 1.00 0.00 N ATOM 70 CA MET A 3 6.020 16.427 -0.631 1.00 0.00 C ATOM 71 C MET A 3 5.358 17.564 0.173 1.00 0.00 C ATOM 72 O MET A 3 4.233 17.419 0.665 1.00 0.00 O ATOM 73 CB MET A 3 6.203 16.757 -2.129 1.00 0.00 C ATOM 74 CG MET A 3 4.908 17.077 -2.892 1.00 0.00 C ATOM 75 SD MET A 3 4.243 18.746 -2.637 1.00 0.00 S ATOM 76 CE MET A 3 2.811 18.683 -3.747 1.00 0.00 C ATOM 0 H MET A 3 4.264 15.309 -0.435 1.00 0.00 H new ATOM 0 HA MET A 3 7.022 16.309 -0.218 1.00 0.00 H new ATOM 0 HB2 MET A 3 6.877 17.609 -2.217 1.00 0.00 H new ATOM 0 HB3 MET A 3 6.692 15.912 -2.614 1.00 0.00 H new ATOM 0 HG2 MET A 3 5.090 16.936 -3.957 1.00 0.00 H new ATOM 0 HG3 MET A 3 4.147 16.353 -2.601 1.00 0.00 H new ATOM 0 HE1 MET A 3 2.283 19.636 -3.714 1.00 0.00 H new ATOM 0 HE2 MET A 3 3.148 18.490 -4.765 1.00 0.00 H new ATOM 0 HE3 MET A 3 2.140 17.885 -3.430 1.00 0.00 H new ATOM 86 N ALA A 4 6.060 18.687 0.319 1.00 0.00 N ATOM 87 CA ALA A 4 5.593 19.885 1.027 1.00 0.00 C ATOM 88 C ALA A 4 5.990 21.174 0.278 1.00 0.00 C ATOM 89 O ALA A 4 6.729 21.134 -0.705 1.00 0.00 O ATOM 90 CB ALA A 4 6.167 19.835 2.456 1.00 0.00 C ATOM 0 H ALA A 4 7.000 18.795 -0.063 1.00 0.00 H new ATOM 0 HA ALA A 4 4.504 19.900 1.073 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.838 20.714 3.011 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.814 18.935 2.959 1.00 0.00 H new ATOM 0 HB3 ALA A 4 7.256 19.821 2.410 1.00 0.00 H new ATOM 96 N LYS A 5 5.532 22.330 0.772 1.00 0.00 N ATOM 97 CA LYS A 5 6.157 23.631 0.491 1.00 0.00 C ATOM 98 C LYS A 5 6.977 24.121 1.685 1.00 0.00 C ATOM 99 O LYS A 5 6.554 23.971 2.833 1.00 0.00 O ATOM 100 CB LYS A 5 5.131 24.679 0.006 1.00 0.00 C ATOM 101 CG LYS A 5 3.969 24.943 0.981 1.00 0.00 C ATOM 102 CD LYS A 5 3.141 26.199 0.661 1.00 0.00 C ATOM 103 CE LYS A 5 2.448 26.188 -0.711 1.00 0.00 C ATOM 104 NZ LYS A 5 3.273 26.822 -1.769 1.00 0.00 N1+ ATOM 0 H LYS A 5 4.715 22.391 1.380 1.00 0.00 H new ATOM 0 HA LYS A 5 6.852 23.488 -0.336 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.652 25.618 -0.179 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.719 24.349 -0.948 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.307 24.077 0.980 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.372 25.036 1.990 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.382 26.322 1.434 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.794 27.070 0.714 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.227 25.159 -0.995 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.494 26.710 -0.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 2.676 27.035 -2.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.688 27.703 -1.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.034 26.172 -2.052 1.00 0.00 H new ATOM 118 N VAL A 6 8.122 24.740 1.414 1.00 0.00 N ATOM 119 CA VAL A 6 8.852 25.583 2.380 1.00 0.00 C ATOM 120 C VAL A 6 8.401 27.037 2.225 1.00 0.00 C ATOM 121 O VAL A 6 8.190 27.503 1.102 1.00 0.00 O ATOM 122 CB VAL A 6 10.385 25.419 2.226 1.00 0.00 C ATOM 123 CG1 VAL A 6 11.212 26.568 2.815 1.00 0.00 C ATOM 124 CG2 VAL A 6 10.834 24.130 2.931 1.00 0.00 C ATOM 0 H VAL A 6 8.583 24.675 0.506 1.00 0.00 H new ATOM 0 HA VAL A 6 8.615 25.260 3.394 1.00 0.00 H new ATOM 0 HB VAL A 6 10.565 25.401 1.151 1.00 0.00 H new ATOM 0 HG11 VAL A 6 12.273 26.369 2.662 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.943 27.501 2.320 1.00 0.00 H new ATOM 0 HG13 VAL A 6 11.009 26.652 3.883 1.00 0.00 H new ATOM 0 HG21 VAL A 6 11.912 24.013 2.824 1.00 0.00 H new ATOM 0 HG22 VAL A 6 10.579 24.186 3.989 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.330 23.275 2.481 1.00 0.00 H new ATOM 134 N VAL A 7 8.296 27.761 3.339 1.00 0.00 N ATOM 135 CA VAL A 7 8.079 29.214 3.390 1.00 0.00 C ATOM 136 C VAL A 7 9.053 29.874 4.377 1.00 0.00 C ATOM 137 O VAL A 7 9.326 29.343 5.459 1.00 0.00 O ATOM 138 CB VAL A 7 6.595 29.550 3.663 1.00 0.00 C ATOM 139 CG1 VAL A 7 6.077 29.043 5.017 1.00 0.00 C ATOM 140 CG2 VAL A 7 6.337 31.060 3.584 1.00 0.00 C ATOM 0 H VAL A 7 8.361 27.341 4.266 1.00 0.00 H new ATOM 0 HA VAL A 7 8.301 29.640 2.411 1.00 0.00 H new ATOM 0 HB VAL A 7 6.049 29.026 2.879 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.029 29.319 5.132 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.174 27.958 5.060 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.661 29.492 5.821 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.284 31.260 3.781 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.949 31.573 4.326 1.00 0.00 H new ATOM 0 HG23 VAL A 7 6.595 31.422 2.589 1.00 0.00 H new ATOM 150 N LEU A 8 9.600 31.030 3.987 1.00 0.00 N ATOM 151 CA LEU A 8 10.599 31.798 4.742 1.00 0.00 C ATOM 152 C LEU A 8 10.531 33.300 4.406 1.00 0.00 C ATOM 153 O LEU A 8 9.954 33.699 3.392 1.00 0.00 O ATOM 154 CB LEU A 8 11.999 31.199 4.478 1.00 0.00 C ATOM 155 CG LEU A 8 12.535 31.348 3.036 1.00 0.00 C ATOM 156 CD1 LEU A 8 13.415 32.590 2.859 1.00 0.00 C ATOM 157 CD2 LEU A 8 13.392 30.136 2.671 1.00 0.00 C ATOM 0 H LEU A 8 9.350 31.474 3.103 1.00 0.00 H new ATOM 0 HA LEU A 8 10.385 31.722 5.808 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.708 31.669 5.159 1.00 0.00 H new ATOM 0 HB3 LEU A 8 11.972 30.138 4.727 1.00 0.00 H new ATOM 0 HG LEU A 8 11.659 31.436 2.393 1.00 0.00 H new ATOM 0 HD11 LEU A 8 13.764 32.645 1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 8 12.836 33.483 3.094 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.272 32.527 3.529 1.00 0.00 H new ATOM 0 HD21 LEU A 8 13.766 30.248 1.653 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.233 30.064 3.361 1.00 0.00 H new ATOM 0 HD23 LEU A 8 12.789 29.230 2.738 1.00 0.00 H new ATOM 265 N VAL A 16 9.541 34.398 0.628 1.00 0.00 N ATOM 266 CA VAL A 16 9.945 33.387 -0.366 1.00 0.00 C ATOM 267 C VAL A 16 9.256 32.051 -0.068 1.00 0.00 C ATOM 268 O VAL A 16 9.099 31.663 1.089 1.00 0.00 O ATOM 269 CB VAL A 16 11.482 33.226 -0.382 1.00 0.00 C ATOM 270 CG1 VAL A 16 11.971 32.101 -1.309 1.00 0.00 C ATOM 271 CG2 VAL A 16 12.191 34.517 -0.807 1.00 0.00 C ATOM 0 HA VAL A 16 9.633 33.721 -1.355 1.00 0.00 H new ATOM 0 HB VAL A 16 11.735 32.972 0.647 1.00 0.00 H new ATOM 0 HG11 VAL A 16 13.059 32.045 -1.271 1.00 0.00 H new ATOM 0 HG12 VAL A 16 11.547 31.151 -0.983 1.00 0.00 H new ATOM 0 HG13 VAL A 16 11.654 32.308 -2.331 1.00 0.00 H new ATOM 0 HG21 VAL A 16 13.269 34.358 -0.804 1.00 0.00 H new ATOM 0 HG22 VAL A 16 11.868 34.796 -1.810 1.00 0.00 H new ATOM 0 HG23 VAL A 16 11.940 35.316 -0.110 1.00 0.00 H new ATOM 281 N GLU A 17 8.875 31.328 -1.123 1.00 0.00 N ATOM 282 CA GLU A 17 8.370 29.948 -1.061 1.00 0.00 C ATOM 283 C GLU A 17 9.116 29.022 -2.037 1.00 0.00 C ATOM 284 O GLU A 17 9.554 29.446 -3.113 1.00 0.00 O ATOM 285 CB GLU A 17 6.861 29.895 -1.352 1.00 0.00 C ATOM 286 CG GLU A 17 6.006 30.564 -0.269 1.00 0.00 C ATOM 287 CD GLU A 17 4.497 30.467 -0.571 1.00 0.00 C ATOM 288 OE1 GLU A 17 3.748 31.433 -0.273 1.00 0.00 O ATOM 289 OE2 GLU A 17 4.033 29.420 -1.089 1.00 0.00 O1- ATOM 0 H GLU A 17 8.909 31.694 -2.074 1.00 0.00 H new ATOM 0 HA GLU A 17 8.549 29.594 -0.046 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.666 30.380 -2.309 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.555 28.854 -1.454 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.212 30.096 0.694 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.290 31.613 -0.181 1.00 0.00 H new ATOM 296 N ILE A 18 9.215 27.735 -1.684 1.00 0.00 N ATOM 297 CA ILE A 18 9.738 26.646 -2.528 1.00 0.00 C ATOM 298 C ILE A 18 8.702 25.514 -2.552 1.00 0.00 C ATOM 299 O ILE A 18 8.334 25.009 -1.491 1.00 0.00 O ATOM 300 CB ILE A 18 11.106 26.128 -2.015 1.00 0.00 C ATOM 301 CG1 ILE A 18 12.179 27.237 -1.962 1.00 0.00 C ATOM 302 CG2 ILE A 18 11.612 24.961 -2.887 1.00 0.00 C ATOM 303 CD1 ILE A 18 13.369 26.882 -1.064 1.00 0.00 C ATOM 0 H ILE A 18 8.921 27.407 -0.764 1.00 0.00 H new ATOM 0 HA ILE A 18 9.905 27.024 -3.537 1.00 0.00 H new ATOM 0 HB ILE A 18 10.940 25.778 -0.996 1.00 0.00 H new ATOM 0 HG12 ILE A 18 12.540 27.433 -2.972 1.00 0.00 H new ATOM 0 HG13 ILE A 18 11.722 28.159 -1.602 1.00 0.00 H new ATOM 0 HG21 ILE A 18 12.573 24.614 -2.508 1.00 0.00 H new ATOM 0 HG22 ILE A 18 10.892 24.143 -2.854 1.00 0.00 H new ATOM 0 HG23 ILE A 18 11.729 25.300 -3.916 1.00 0.00 H new ATOM 0 HD11 ILE A 18 14.087 27.702 -1.070 1.00 0.00 H new ATOM 0 HD12 ILE A 18 13.019 26.714 -0.046 1.00 0.00 H new ATOM 0 HD13 ILE A 18 13.849 25.977 -1.437 1.00 0.00 H new ATOM 315 N GLY A 19 8.227 25.129 -3.738 1.00 0.00 N ATOM 316 CA GLY A 19 7.278 24.024 -3.928 1.00 0.00 C ATOM 317 C GLY A 19 7.950 22.664 -4.144 1.00 0.00 C ATOM 318 O GLY A 19 9.150 22.589 -4.430 1.00 0.00 O ATOM 0 H GLY A 19 8.494 25.583 -4.611 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.626 23.963 -3.056 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.643 24.246 -4.786 1.00 0.00 H new ATOM 322 N ASP A 20 7.170 21.585 -4.040 1.00 0.00 N ATOM 323 CA ASP A 20 7.605 20.194 -4.290 1.00 0.00 C ATOM 324 C ASP A 20 8.842 19.767 -3.466 1.00 0.00 C ATOM 325 O ASP A 20 9.714 19.044 -3.954 1.00 0.00 O ATOM 326 CB ASP A 20 7.751 19.920 -5.802 1.00 0.00 C ATOM 327 CG ASP A 20 6.555 20.371 -6.664 1.00 0.00 C ATOM 328 OD1 ASP A 20 5.385 20.269 -6.214 1.00 0.00 O ATOM 329 OD2 ASP A 20 6.775 20.802 -7.823 1.00 0.00 O1- ATOM 0 H ASP A 20 6.188 21.649 -3.772 1.00 0.00 H new ATOM 0 HA ASP A 20 6.808 19.548 -3.922 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.649 20.422 -6.162 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.903 18.851 -5.949 1.00 0.00 H new ATOM 334 N VAL A 21 8.943 20.238 -2.219 1.00 0.00 N ATOM 335 CA VAL A 21 10.039 19.933 -1.286 1.00 0.00 C ATOM 336 C VAL A 21 9.984 18.470 -0.840 1.00 0.00 C ATOM 337 O VAL A 21 8.942 17.979 -0.403 1.00 0.00 O ATOM 338 CB VAL A 21 10.046 20.894 -0.083 1.00 0.00 C ATOM 339 CG1 VAL A 21 11.135 20.535 0.938 1.00 0.00 C ATOM 340 CG2 VAL A 21 10.302 22.330 -0.555 1.00 0.00 C ATOM 0 H VAL A 21 8.244 20.862 -1.816 1.00 0.00 H new ATOM 0 HA VAL A 21 10.979 20.084 -1.817 1.00 0.00 H new ATOM 0 HB VAL A 21 9.069 20.806 0.392 1.00 0.00 H new ATOM 0 HG11 VAL A 21 11.102 21.240 1.769 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.965 19.525 1.312 1.00 0.00 H new ATOM 0 HG13 VAL A 21 12.113 20.584 0.459 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.305 23.000 0.304 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.268 22.381 -1.058 1.00 0.00 H new ATOM 0 HG23 VAL A 21 9.516 22.631 -1.247 1.00 0.00 H new ATOM 350 N LEU A 22 11.124 17.792 -0.955 1.00 0.00 N ATOM 351 CA LEU A 22 11.321 16.371 -0.661 1.00 0.00 C ATOM 352 C LEU A 22 11.963 16.176 0.726 1.00 0.00 C ATOM 353 O LEU A 22 11.545 15.302 1.487 1.00 0.00 O ATOM 354 CB LEU A 22 12.168 15.816 -1.824 1.00 0.00 C ATOM 355 CG LEU A 22 12.316 14.298 -1.992 1.00 0.00 C ATOM 356 CD1 LEU A 22 13.232 13.651 -0.957 1.00 0.00 C ATOM 357 CD2 LEU A 22 10.952 13.607 -2.023 1.00 0.00 C ATOM 0 H LEU A 22 11.982 18.242 -1.273 1.00 0.00 H new ATOM 0 HA LEU A 22 10.380 15.824 -0.599 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.748 16.208 -2.750 1.00 0.00 H new ATOM 0 HB3 LEU A 22 13.170 16.233 -1.727 1.00 0.00 H new ATOM 0 HG LEU A 22 12.804 14.155 -2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 22 13.287 12.578 -1.140 1.00 0.00 H new ATOM 0 HD12 LEU A 22 14.230 14.084 -1.033 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.835 13.829 0.042 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.091 12.533 -2.143 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.424 13.803 -1.090 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.368 13.993 -2.858 1.00 0.00 H new ATOM 369 N GLU A 23 12.917 17.041 1.090 1.00 0.00 N ATOM 370 CA GLU A 23 13.470 17.126 2.450 1.00 0.00 C ATOM 371 C GLU A 23 14.066 18.510 2.788 1.00 0.00 C ATOM 372 O GLU A 23 14.393 19.308 1.902 1.00 0.00 O ATOM 373 CB GLU A 23 14.494 16.005 2.692 1.00 0.00 C ATOM 374 CG GLU A 23 15.756 16.090 1.823 1.00 0.00 C ATOM 375 CD GLU A 23 16.897 15.258 2.420 1.00 0.00 C ATOM 376 OE1 GLU A 23 17.492 14.393 1.737 1.00 0.00 O ATOM 377 OE2 GLU A 23 17.270 15.451 3.599 1.00 0.00 O1- ATOM 0 H GLU A 23 13.333 17.710 0.442 1.00 0.00 H new ATOM 0 HA GLU A 23 12.630 16.990 3.132 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.790 16.022 3.741 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.010 15.045 2.513 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.532 15.736 0.817 1.00 0.00 H new ATOM 0 HG3 GLU A 23 16.069 17.130 1.733 1.00 0.00 H new ATOM 384 N VAL A 24 14.237 18.770 4.086 1.00 0.00 N ATOM 385 CA VAL A 24 14.827 19.990 4.667 1.00 0.00 C ATOM 386 C VAL A 24 15.807 19.608 5.784 1.00 0.00 C ATOM 387 O VAL A 24 15.512 18.727 6.596 1.00 0.00 O ATOM 388 CB VAL A 24 13.731 20.940 5.199 1.00 0.00 C ATOM 389 CG1 VAL A 24 14.318 22.257 5.708 1.00 0.00 C ATOM 390 CG2 VAL A 24 12.685 21.287 4.136 1.00 0.00 C ATOM 0 H VAL A 24 13.954 18.102 4.803 1.00 0.00 H new ATOM 0 HA VAL A 24 15.370 20.522 3.885 1.00 0.00 H new ATOM 0 HB VAL A 24 13.257 20.394 6.014 1.00 0.00 H new ATOM 0 HG11 VAL A 24 13.514 22.896 6.073 1.00 0.00 H new ATOM 0 HG12 VAL A 24 15.017 22.054 6.519 1.00 0.00 H new ATOM 0 HG13 VAL A 24 14.841 22.760 4.895 1.00 0.00 H new ATOM 0 HG21 VAL A 24 11.939 21.957 4.564 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.172 21.777 3.293 1.00 0.00 H new ATOM 0 HG23 VAL A 24 12.198 20.374 3.793 1.00 0.00 H new ATOM 400 N ARG A 25 16.963 20.277 5.845 1.00 0.00 N ATOM 401 CA ARG A 25 18.065 20.005 6.782 1.00 0.00 C ATOM 402 C ARG A 25 18.481 21.282 7.523 1.00 0.00 C ATOM 403 O ARG A 25 18.773 22.290 6.881 1.00 0.00 O ATOM 404 CB ARG A 25 19.262 19.409 6.015 1.00 0.00 C ATOM 405 CG ARG A 25 18.949 18.131 5.219 1.00 0.00 C ATOM 406 CD ARG A 25 20.193 17.642 4.471 1.00 0.00 C ATOM 407 NE ARG A 25 19.876 16.514 3.574 1.00 0.00 N ATOM 408 CZ ARG A 25 20.692 15.906 2.733 1.00 0.00 C ATOM 409 NH1 ARG A 25 21.965 16.196 2.665 1.00 0.00 N1+ ATOM 410 NH2 ARG A 25 20.247 14.981 1.932 1.00 0.00 N ATOM 0 H ARG A 25 17.168 21.055 5.218 1.00 0.00 H new ATOM 0 HA ARG A 25 17.724 19.285 7.526 1.00 0.00 H new ATOM 0 HB2 ARG A 25 19.646 20.163 5.328 1.00 0.00 H new ATOM 0 HB3 ARG A 25 20.058 19.191 6.726 1.00 0.00 H new ATOM 0 HG2 ARG A 25 18.596 17.353 5.895 1.00 0.00 H new ATOM 0 HG3 ARG A 25 18.145 18.326 4.509 1.00 0.00 H new ATOM 0 HD2 ARG A 25 20.616 18.462 3.891 1.00 0.00 H new ATOM 0 HD3 ARG A 25 20.953 17.335 5.189 1.00 0.00 H new ATOM 0 HE ARG A 25 18.918 16.165 3.608 1.00 0.00 H new ATOM 0 HH11 ARG A 25 22.358 16.913 3.275 1.00 0.00 H new ATOM 0 HH12 ARG A 25 22.565 15.705 2.002 1.00 0.00 H new ATOM 0 HH21 ARG A 25 19.261 14.721 1.951 1.00 0.00 H new ATOM 0 HH22 ARG A 25 20.885 14.516 1.285 1.00 0.00 H new ATOM 424 N ALA A 26 18.536 21.242 8.852 1.00 0.00 N ATOM 425 CA ALA A 26 19.069 22.325 9.678 1.00 0.00 C ATOM 426 C ALA A 26 20.583 22.178 9.914 1.00 0.00 C ATOM 427 O ALA A 26 21.091 21.092 10.204 1.00 0.00 O ATOM 428 CB ALA A 26 18.300 22.396 11.002 1.00 0.00 C ATOM 0 H ALA A 26 18.206 20.444 9.395 1.00 0.00 H new ATOM 0 HA ALA A 26 18.930 23.263 9.141 1.00 0.00 H new ATOM 0 HB1 ALA A 26 18.701 23.204 11.613 1.00 0.00 H new ATOM 0 HB2 ALA A 26 17.245 22.583 10.801 1.00 0.00 H new ATOM 0 HB3 ALA A 26 18.406 21.451 11.535 1.00 0.00 H new ATOM 434 N GLU A 27 21.300 23.297 9.838 1.00 0.00 N ATOM 435 CA GLU A 27 22.698 23.464 10.259 1.00 0.00 C ATOM 436 C GLU A 27 22.779 24.301 11.553 1.00 0.00 C ATOM 437 O GLU A 27 21.778 24.863 12.012 1.00 0.00 O ATOM 438 CB GLU A 27 23.497 24.135 9.122 1.00 0.00 C ATOM 439 CG GLU A 27 23.467 23.392 7.770 1.00 0.00 C ATOM 440 CD GLU A 27 24.019 21.951 7.837 1.00 0.00 C ATOM 441 OE1 GLU A 27 24.937 21.663 8.648 1.00 0.00 O ATOM 442 OE2 GLU A 27 23.563 21.098 7.037 1.00 0.00 O1- ATOM 0 H GLU A 27 20.905 24.159 9.462 1.00 0.00 H new ATOM 0 HA GLU A 27 23.130 22.485 10.468 1.00 0.00 H new ATOM 0 HB2 GLU A 27 23.109 25.143 8.973 1.00 0.00 H new ATOM 0 HB3 GLU A 27 24.535 24.236 9.440 1.00 0.00 H new ATOM 0 HG2 GLU A 27 22.440 23.361 7.406 1.00 0.00 H new ATOM 0 HG3 GLU A 27 24.046 23.959 7.042 1.00 0.00 H new ATOM 449 N GLY A 28 23.969 24.431 12.141 1.00 0.00 N ATOM 450 CA GLY A 28 24.237 25.266 13.328 1.00 0.00 C ATOM 451 C GLY A 28 24.241 26.781 13.048 1.00 0.00 C ATOM 452 O GLY A 28 25.163 27.484 13.471 1.00 0.00 O ATOM 0 H GLY A 28 24.800 23.948 11.801 1.00 0.00 H new ATOM 0 HA2 GLY A 28 23.485 25.050 14.087 1.00 0.00 H new ATOM 0 HA3 GLY A 28 25.203 24.983 13.747 1.00 0.00 H new ATOM 456 N GLY A 29 23.250 27.273 12.303 1.00 0.00 N ATOM 457 CA GLY A 29 23.118 28.673 11.877 1.00 0.00 C ATOM 458 C GLY A 29 22.561 28.894 10.461 1.00 0.00 C ATOM 459 O GLY A 29 22.648 30.008 9.948 1.00 0.00 O ATOM 0 H GLY A 29 22.486 26.687 11.965 1.00 0.00 H new ATOM 0 HA2 GLY A 29 22.470 29.189 12.586 1.00 0.00 H new ATOM 0 HA3 GLY A 29 24.098 29.145 11.939 1.00 0.00 H new ATOM 463 N ALA A 30 22.023 27.864 9.798 1.00 0.00 N ATOM 464 CA ALA A 30 21.450 27.928 8.453 1.00 0.00 C ATOM 465 C ALA A 30 20.423 26.801 8.201 1.00 0.00 C ATOM 466 O ALA A 30 20.345 25.833 8.963 1.00 0.00 O ATOM 467 CB ALA A 30 22.601 27.865 7.431 1.00 0.00 C ATOM 0 H ALA A 30 21.974 26.928 10.201 1.00 0.00 H new ATOM 0 HA ALA A 30 20.904 28.865 8.346 1.00 0.00 H new ATOM 0 HB1 ALA A 30 22.194 27.911 6.421 1.00 0.00 H new ATOM 0 HB2 ALA A 30 23.275 28.707 7.590 1.00 0.00 H new ATOM 0 HB3 ALA A 30 23.150 26.932 7.558 1.00 0.00 H new ATOM 473 N VAL A 31 19.672 26.893 7.098 1.00 0.00 N ATOM 474 CA VAL A 31 18.803 25.812 6.579 1.00 0.00 C ATOM 475 C VAL A 31 19.109 25.505 5.109 1.00 0.00 C ATOM 476 O VAL A 31 19.380 26.414 4.323 1.00 0.00 O ATOM 477 CB VAL A 31 17.306 26.123 6.799 1.00 0.00 C ATOM 478 CG1 VAL A 31 16.378 25.065 6.187 1.00 0.00 C ATOM 479 CG2 VAL A 31 16.972 26.186 8.290 1.00 0.00 C ATOM 0 H VAL A 31 19.645 27.736 6.524 1.00 0.00 H new ATOM 0 HA VAL A 31 19.028 24.913 7.153 1.00 0.00 H new ATOM 0 HB VAL A 31 17.141 27.083 6.309 1.00 0.00 H new ATOM 0 HG11 VAL A 31 15.340 25.339 6.375 1.00 0.00 H new ATOM 0 HG12 VAL A 31 16.550 25.008 5.112 1.00 0.00 H new ATOM 0 HG13 VAL A 31 16.584 24.095 6.639 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.912 26.406 8.416 1.00 0.00 H new ATOM 0 HG22 VAL A 31 17.201 25.227 8.755 1.00 0.00 H new ATOM 0 HG23 VAL A 31 17.564 26.969 8.763 1.00 0.00 H new ATOM 489 N ARG A 32 19.038 24.221 4.729 1.00 0.00 N ATOM 490 CA ARG A 32 19.152 23.701 3.353 1.00 0.00 C ATOM 491 C ARG A 32 17.882 22.934 2.962 1.00 0.00 C ATOM 492 O ARG A 32 17.291 22.251 3.799 1.00 0.00 O ATOM 493 CB ARG A 32 20.418 22.835 3.212 1.00 0.00 C ATOM 494 CG ARG A 32 21.708 23.598 3.567 1.00 0.00 C ATOM 495 CD ARG A 32 22.962 22.708 3.536 1.00 0.00 C ATOM 496 NE ARG A 32 23.408 22.404 2.161 1.00 0.00 N ATOM 497 CZ ARG A 32 24.650 22.436 1.704 1.00 0.00 C ATOM 498 NH1 ARG A 32 25.672 22.789 2.435 1.00 0.00 N1+ ATOM 499 NH2 ARG A 32 24.883 22.105 0.471 1.00 0.00 N ATOM 0 H ARG A 32 18.892 23.474 5.408 1.00 0.00 H new ATOM 0 HA ARG A 32 19.250 24.538 2.662 1.00 0.00 H new ATOM 0 HB2 ARG A 32 20.329 21.962 3.858 1.00 0.00 H new ATOM 0 HB3 ARG A 32 20.489 22.468 2.188 1.00 0.00 H new ATOM 0 HG2 ARG A 32 21.839 24.424 2.868 1.00 0.00 H new ATOM 0 HG3 ARG A 32 21.604 24.034 4.560 1.00 0.00 H new ATOM 0 HD2 ARG A 32 23.769 23.205 4.074 1.00 0.00 H new ATOM 0 HD3 ARG A 32 22.755 21.776 4.061 1.00 0.00 H new ATOM 0 HE ARG A 32 22.683 22.142 1.493 1.00 0.00 H new ATOM 0 HH11 ARG A 32 25.534 23.058 3.409 1.00 0.00 H new ATOM 0 HH12 ARG A 32 26.609 22.796 2.032 1.00 0.00 H new ATOM 0 HH21 ARG A 32 24.113 21.824 -0.136 1.00 0.00 H new ATOM 0 HH22 ARG A 32 25.836 22.126 0.109 1.00 0.00 H new ATOM 513 N VAL A 33 17.467 23.039 1.701 1.00 0.00 N ATOM 514 CA VAL A 33 16.185 22.524 1.164 1.00 0.00 C ATOM 515 C VAL A 33 16.439 21.764 -0.138 1.00 0.00 C ATOM 516 O VAL A 33 17.150 22.275 -1.006 1.00 0.00 O ATOM 517 CB VAL A 33 15.195 23.685 0.913 1.00 0.00 C ATOM 518 CG1 VAL A 33 13.853 23.201 0.346 1.00 0.00 C ATOM 519 CG2 VAL A 33 14.904 24.490 2.185 1.00 0.00 C ATOM 0 H VAL A 33 18.029 23.502 0.987 1.00 0.00 H new ATOM 0 HA VAL A 33 15.745 21.848 1.897 1.00 0.00 H new ATOM 0 HB VAL A 33 15.693 24.321 0.181 1.00 0.00 H new ATOM 0 HG11 VAL A 33 13.195 24.056 0.188 1.00 0.00 H new ATOM 0 HG12 VAL A 33 14.021 22.693 -0.603 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.388 22.511 1.050 1.00 0.00 H new ATOM 0 HG21 VAL A 33 14.204 25.293 1.955 1.00 0.00 H new ATOM 0 HG22 VAL A 33 14.469 23.834 2.939 1.00 0.00 H new ATOM 0 HG23 VAL A 33 15.832 24.916 2.566 1.00 0.00 H new ATOM 529 N THR A 34 15.840 20.579 -0.301 1.00 0.00 N ATOM 530 CA THR A 34 15.968 19.740 -1.511 1.00 0.00 C ATOM 531 C THR A 34 14.594 19.393 -2.089 1.00 0.00 C ATOM 532 O THR A 34 13.703 18.955 -1.355 1.00 0.00 O ATOM 533 CB THR A 34 16.761 18.457 -1.208 1.00 0.00 C ATOM 534 OG1 THR A 34 18.067 18.777 -0.770 1.00 0.00 O ATOM 535 CG2 THR A 34 16.929 17.534 -2.418 1.00 0.00 C ATOM 0 H THR A 34 15.241 20.164 0.413 1.00 0.00 H new ATOM 0 HA THR A 34 16.516 20.316 -2.257 1.00 0.00 H new ATOM 0 HB THR A 34 16.178 17.942 -0.445 1.00 0.00 H new ATOM 0 HG1 THR A 34 18.560 17.952 -0.579 1.00 0.00 H new ATOM 0 HG21 THR A 34 17.498 16.651 -2.126 1.00 0.00 H new ATOM 0 HG22 THR A 34 15.948 17.229 -2.782 1.00 0.00 H new ATOM 0 HG23 THR A 34 17.461 18.064 -3.208 1.00 0.00 H new ATOM 543 N THR A 35 14.402 19.577 -3.398 1.00 0.00 N ATOM 544 CA THR A 35 13.132 19.300 -4.095 1.00 0.00 C ATOM 545 C THR A 35 13.041 17.867 -4.635 1.00 0.00 C ATOM 546 O THR A 35 14.034 17.148 -4.753 1.00 0.00 O ATOM 547 CB THR A 35 12.853 20.297 -5.232 1.00 0.00 C ATOM 548 OG1 THR A 35 13.681 20.037 -6.350 1.00 0.00 O ATOM 549 CG2 THR A 35 13.031 21.757 -4.813 1.00 0.00 C ATOM 0 H THR A 35 15.132 19.928 -4.017 1.00 0.00 H new ATOM 0 HA THR A 35 12.365 19.421 -3.330 1.00 0.00 H new ATOM 0 HB THR A 35 11.806 20.152 -5.497 1.00 0.00 H new ATOM 0 HG1 THR A 35 13.484 20.683 -7.060 1.00 0.00 H new ATOM 0 HG21 THR A 35 12.819 22.407 -5.662 1.00 0.00 H new ATOM 0 HG22 THR A 35 12.345 21.988 -3.998 1.00 0.00 H new ATOM 0 HG23 THR A 35 14.056 21.918 -4.480 1.00 0.00 H new ATOM 557 N LEU A 36 11.824 17.471 -5.026 1.00 0.00 N ATOM 558 CA LEU A 36 11.489 16.217 -5.715 1.00 0.00 C ATOM 559 C LEU A 36 12.243 16.044 -7.047 1.00 0.00 C ATOM 560 O LEU A 36 12.446 14.917 -7.502 1.00 0.00 O ATOM 561 CB LEU A 36 9.958 16.240 -5.911 1.00 0.00 C ATOM 562 CG LEU A 36 9.333 15.066 -6.694 1.00 0.00 C ATOM 563 CD1 LEU A 36 9.568 13.718 -6.010 1.00 0.00 C ATOM 564 CD2 LEU A 36 7.824 15.275 -6.804 1.00 0.00 C ATOM 0 H LEU A 36 11.000 18.049 -4.861 1.00 0.00 H new ATOM 0 HA LEU A 36 11.801 15.358 -5.121 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.491 16.277 -4.927 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.696 17.166 -6.423 1.00 0.00 H new ATOM 0 HG LEU A 36 9.810 15.048 -7.674 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.109 12.925 -6.601 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.639 13.534 -5.927 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.124 13.733 -5.015 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.381 14.446 -7.357 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.389 15.319 -5.806 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.623 16.209 -7.328 1.00 0.00 H new ATOM 576 N PHE A 37 12.688 17.152 -7.647 1.00 0.00 N ATOM 577 CA PHE A 37 13.395 17.217 -8.936 1.00 0.00 C ATOM 578 C PHE A 37 14.892 17.540 -8.787 1.00 0.00 C ATOM 579 O PHE A 37 15.530 18.027 -9.726 1.00 0.00 O ATOM 580 CB PHE A 37 12.616 18.149 -9.884 1.00 0.00 C ATOM 581 CG PHE A 37 11.151 17.767 -10.005 1.00 0.00 C ATOM 582 CD1 PHE A 37 10.788 16.613 -10.729 1.00 0.00 C ATOM 583 CD2 PHE A 37 10.159 18.490 -9.313 1.00 0.00 C ATOM 584 CE1 PHE A 37 9.450 16.181 -10.756 1.00 0.00 C ATOM 585 CE2 PHE A 37 8.823 18.060 -9.341 1.00 0.00 C ATOM 586 CZ PHE A 37 8.468 16.904 -10.060 1.00 0.00 C ATOM 0 H PHE A 37 12.560 18.074 -7.230 1.00 0.00 H new ATOM 0 HA PHE A 37 13.412 16.228 -9.395 1.00 0.00 H new ATOM 0 HB2 PHE A 37 12.692 19.175 -9.522 1.00 0.00 H new ATOM 0 HB3 PHE A 37 13.077 18.124 -10.871 1.00 0.00 H new ATOM 0 HD1 PHE A 37 11.542 16.057 -11.266 1.00 0.00 H new ATOM 0 HD2 PHE A 37 10.427 19.378 -8.759 1.00 0.00 H new ATOM 0 HE1 PHE A 37 9.178 15.295 -11.311 1.00 0.00 H new ATOM 0 HE2 PHE A 37 8.066 18.618 -8.810 1.00 0.00 H new ATOM 0 HZ PHE A 37 7.440 16.573 -10.077 1.00 0.00 H new ATOM 596 N ASP A 38 15.458 17.256 -7.606 1.00 0.00 N ATOM 597 CA ASP A 38 16.883 17.377 -7.257 1.00 0.00 C ATOM 598 C ASP A 38 17.470 18.807 -7.323 1.00 0.00 C ATOM 599 O ASP A 38 18.691 18.979 -7.379 1.00 0.00 O ATOM 600 CB ASP A 38 17.731 16.340 -8.019 1.00 0.00 C ATOM 601 CG ASP A 38 17.244 14.884 -7.885 1.00 0.00 C ATOM 602 OD1 ASP A 38 17.487 14.091 -8.826 1.00 0.00 O ATOM 603 OD2 ASP A 38 16.671 14.506 -6.834 1.00 0.00 O1- ATOM 0 H ASP A 38 14.902 16.916 -6.822 1.00 0.00 H new ATOM 0 HA ASP A 38 16.936 17.145 -6.193 1.00 0.00 H new ATOM 0 HB2 ASP A 38 17.745 16.608 -9.075 1.00 0.00 H new ATOM 0 HB3 ASP A 38 18.759 16.399 -7.662 1.00 0.00 H new ATOM 608 N GLU A 39 16.635 19.850 -7.276 1.00 0.00 N ATOM 609 CA GLU A 39 17.105 21.220 -7.017 1.00 0.00 C ATOM 610 C GLU A 39 17.468 21.388 -5.534 1.00 0.00 C ATOM 611 O GLU A 39 16.812 20.819 -4.656 1.00 0.00 O ATOM 612 CB GLU A 39 16.060 22.273 -7.429 1.00 0.00 C ATOM 613 CG GLU A 39 15.664 22.190 -8.917 1.00 0.00 C ATOM 614 CD GLU A 39 14.765 23.362 -9.371 1.00 0.00 C ATOM 615 OE1 GLU A 39 14.473 24.297 -8.581 1.00 0.00 O ATOM 616 OE2 GLU A 39 14.329 23.350 -10.551 1.00 0.00 O1- ATOM 0 H GLU A 39 15.627 19.774 -7.414 1.00 0.00 H new ATOM 0 HA GLU A 39 17.994 21.381 -7.626 1.00 0.00 H new ATOM 0 HB2 GLU A 39 15.168 22.149 -6.815 1.00 0.00 H new ATOM 0 HB3 GLU A 39 16.455 23.267 -7.220 1.00 0.00 H new ATOM 0 HG2 GLU A 39 16.567 22.175 -9.527 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.143 21.250 -9.096 1.00 0.00 H new ATOM 623 N GLU A 40 18.493 22.194 -5.241 1.00 0.00 N ATOM 624 CA GLU A 40 18.915 22.529 -3.873 1.00 0.00 C ATOM 625 C GLU A 40 18.925 24.047 -3.641 1.00 0.00 C ATOM 626 O GLU A 40 19.361 24.820 -4.503 1.00 0.00 O ATOM 627 CB GLU A 40 20.281 21.889 -3.550 1.00 0.00 C ATOM 628 CG GLU A 40 20.709 22.125 -2.093 1.00 0.00 C ATOM 629 CD GLU A 40 22.018 21.421 -1.695 1.00 0.00 C ATOM 630 OE1 GLU A 40 22.736 20.853 -2.556 1.00 0.00 O ATOM 631 OE2 GLU A 40 22.362 21.468 -0.489 1.00 0.00 O1- ATOM 0 H GLU A 40 19.064 22.641 -5.958 1.00 0.00 H new ATOM 0 HA GLU A 40 18.183 22.110 -3.183 1.00 0.00 H new ATOM 0 HB2 GLU A 40 20.231 20.817 -3.742 1.00 0.00 H new ATOM 0 HB3 GLU A 40 21.038 22.298 -4.219 1.00 0.00 H new ATOM 0 HG2 GLU A 40 20.822 23.197 -1.929 1.00 0.00 H new ATOM 0 HG3 GLU A 40 19.912 21.784 -1.433 1.00 0.00 H new ATOM 638 N HIS A 41 18.476 24.463 -2.455 1.00 0.00 N ATOM 639 CA HIS A 41 18.434 25.856 -2.000 1.00 0.00 C ATOM 640 C HIS A 41 19.018 25.954 -0.582 1.00 0.00 C ATOM 641 O HIS A 41 18.878 25.015 0.204 1.00 0.00 O ATOM 642 CB HIS A 41 16.986 26.372 -2.052 1.00 0.00 C ATOM 643 CG HIS A 41 16.261 26.110 -3.353 1.00 0.00 C ATOM 644 ND1 HIS A 41 16.306 26.916 -4.498 1.00 0.00 N ATOM 645 CD2 HIS A 41 15.477 25.021 -3.618 1.00 0.00 C ATOM 646 CE1 HIS A 41 15.553 26.290 -5.421 1.00 0.00 C ATOM 647 NE2 HIS A 41 15.046 25.157 -4.920 1.00 0.00 N ATOM 0 H HIS A 41 18.117 23.813 -1.756 1.00 0.00 H new ATOM 0 HA HIS A 41 19.039 26.481 -2.657 1.00 0.00 H new ATOM 0 HB2 HIS A 41 16.423 25.912 -1.240 1.00 0.00 H new ATOM 0 HB3 HIS A 41 16.992 27.446 -1.867 1.00 0.00 H new ATOM 0 HD2 HIS A 41 15.242 24.214 -2.940 1.00 0.00 H new ATOM 0 HE1 HIS A 41 15.382 26.651 -6.424 1.00 0.00 H new ATOM 0 HE2 HIS A 41 14.442 24.504 -5.418 1.00 0.00 H new ATOM 655 N ALA A 42 19.660 27.073 -0.240 1.00 0.00 N ATOM 656 CA ALA A 42 20.294 27.271 1.069 1.00 0.00 C ATOM 657 C ALA A 42 20.145 28.715 1.580 1.00 0.00 C ATOM 658 O ALA A 42 20.218 29.678 0.806 1.00 0.00 O ATOM 659 CB ALA A 42 21.767 26.839 0.978 1.00 0.00 C ATOM 0 H ALA A 42 19.756 27.873 -0.866 1.00 0.00 H new ATOM 0 HA ALA A 42 19.784 26.650 1.805 1.00 0.00 H new ATOM 0 HB1 ALA A 42 22.248 26.982 1.945 1.00 0.00 H new ATOM 0 HB2 ALA A 42 21.821 25.787 0.698 1.00 0.00 H new ATOM 0 HB3 ALA A 42 22.277 27.442 0.226 1.00 0.00 H new ATOM 665 N PHE A 43 19.958 28.851 2.896 1.00 0.00 N ATOM 666 CA PHE A 43 19.559 30.097 3.563 1.00 0.00 C ATOM 667 C PHE A 43 20.280 30.278 4.916 1.00 0.00 C ATOM 668 O PHE A 43 19.911 29.622 5.899 1.00 0.00 O ATOM 669 CB PHE A 43 18.034 30.104 3.756 1.00 0.00 C ATOM 670 CG PHE A 43 17.252 29.958 2.465 1.00 0.00 C ATOM 671 CD1 PHE A 43 17.037 31.079 1.641 1.00 0.00 C ATOM 672 CD2 PHE A 43 16.811 28.687 2.049 1.00 0.00 C ATOM 673 CE1 PHE A 43 16.382 30.932 0.404 1.00 0.00 C ATOM 674 CE2 PHE A 43 16.158 28.539 0.816 1.00 0.00 C ATOM 675 CZ PHE A 43 15.950 29.662 -0.011 1.00 0.00 C ATOM 0 H PHE A 43 20.083 28.076 3.547 1.00 0.00 H new ATOM 0 HA PHE A 43 19.851 30.936 2.931 1.00 0.00 H new ATOM 0 HB2 PHE A 43 17.759 29.293 4.430 1.00 0.00 H new ATOM 0 HB3 PHE A 43 17.743 31.035 4.243 1.00 0.00 H new ATOM 0 HD1 PHE A 43 17.375 32.054 1.959 1.00 0.00 H new ATOM 0 HD2 PHE A 43 16.976 27.826 2.679 1.00 0.00 H new ATOM 0 HE1 PHE A 43 16.212 31.794 -0.224 1.00 0.00 H new ATOM 0 HE2 PHE A 43 15.815 27.565 0.500 1.00 0.00 H new ATOM 0 HZ PHE A 43 15.458 29.545 -0.965 1.00 0.00 H new ATOM 685 N PRO A 44 21.303 31.152 5.012 1.00 0.00 N ATOM 686 CA PRO A 44 21.974 31.455 6.272 1.00 0.00 C ATOM 687 C PRO A 44 21.082 32.268 7.225 1.00 0.00 C ATOM 688 O PRO A 44 20.281 33.113 6.813 1.00 0.00 O ATOM 689 CB PRO A 44 23.251 32.212 5.881 1.00 0.00 C ATOM 690 CG PRO A 44 22.851 32.924 4.591 1.00 0.00 C ATOM 691 CD PRO A 44 21.884 31.943 3.933 1.00 0.00 C ATOM 0 HA PRO A 44 22.206 30.547 6.828 1.00 0.00 H new ATOM 0 HB2 PRO A 44 23.553 32.918 6.654 1.00 0.00 H new ATOM 0 HB3 PRO A 44 24.089 31.534 5.724 1.00 0.00 H new ATOM 0 HG2 PRO A 44 22.375 33.884 4.792 1.00 0.00 H new ATOM 0 HG3 PRO A 44 23.715 33.123 3.957 1.00 0.00 H new ATOM 0 HD2 PRO A 44 21.109 32.474 3.380 1.00 0.00 H new ATOM 0 HD3 PRO A 44 22.404 31.304 3.220 1.00 0.00 H new ATOM 699 N GLY A 45 21.238 32.011 8.524 1.00 0.00 N ATOM 700 CA GLY A 45 20.559 32.710 9.618 1.00 0.00 C ATOM 701 C GLY A 45 19.181 32.144 9.972 1.00 0.00 C ATOM 702 O GLY A 45 18.560 32.616 10.926 1.00 0.00 O ATOM 0 H GLY A 45 21.867 31.280 8.857 1.00 0.00 H new ATOM 0 HA2 GLY A 45 21.192 32.673 10.505 1.00 0.00 H new ATOM 0 HA3 GLY A 45 20.449 33.760 9.349 1.00 0.00 H new ATOM 706 N LEU A 46 18.691 31.133 9.241 1.00 0.00 N ATOM 707 CA LEU A 46 17.435 30.432 9.532 1.00 0.00 C ATOM 708 C LEU A 46 17.633 29.159 10.375 1.00 0.00 C ATOM 709 O LEU A 46 18.726 28.591 10.447 1.00 0.00 O ATOM 710 CB LEU A 46 16.682 30.114 8.223 1.00 0.00 C ATOM 711 CG LEU A 46 16.311 31.329 7.350 1.00 0.00 C ATOM 712 CD1 LEU A 46 15.449 30.853 6.183 1.00 0.00 C ATOM 713 CD2 LEU A 46 15.504 32.394 8.099 1.00 0.00 C ATOM 0 H LEU A 46 19.167 30.773 8.414 1.00 0.00 H new ATOM 0 HA LEU A 46 16.831 31.107 10.139 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.296 29.437 7.628 1.00 0.00 H new ATOM 0 HB3 LEU A 46 15.767 29.578 8.474 1.00 0.00 H new ATOM 0 HG LEU A 46 17.251 31.776 7.028 1.00 0.00 H new ATOM 0 HD11 LEU A 46 15.180 31.705 5.558 1.00 0.00 H new ATOM 0 HD12 LEU A 46 16.008 30.129 5.589 1.00 0.00 H new ATOM 0 HD13 LEU A 46 14.543 30.385 6.567 1.00 0.00 H new ATOM 0 HD21 LEU A 46 15.278 33.220 7.425 1.00 0.00 H new ATOM 0 HD22 LEU A 46 14.574 31.957 8.463 1.00 0.00 H new ATOM 0 HD23 LEU A 46 16.085 32.764 8.943 1.00 0.00 H new ATOM 725 N ALA A 47 16.530 28.691 10.960 1.00 0.00 N ATOM 726 CA ALA A 47 16.327 27.375 11.561 1.00 0.00 C ATOM 727 C ALA A 47 14.934 26.828 11.181 1.00 0.00 C ATOM 728 O ALA A 47 14.023 27.598 10.849 1.00 0.00 O ATOM 729 CB ALA A 47 16.517 27.481 13.079 1.00 0.00 C ATOM 0 H ALA A 47 15.692 29.268 11.031 1.00 0.00 H new ATOM 0 HA ALA A 47 17.062 26.667 11.179 1.00 0.00 H new ATOM 0 HB1 ALA A 47 16.367 26.502 13.534 1.00 0.00 H new ATOM 0 HB2 ALA A 47 17.526 27.831 13.296 1.00 0.00 H new ATOM 0 HB3 ALA A 47 15.793 28.186 13.488 1.00 0.00 H new ATOM 735 N ILE A 48 14.754 25.507 11.230 1.00 0.00 N ATOM 736 CA ILE A 48 13.445 24.868 10.989 1.00 0.00 C ATOM 737 C ILE A 48 12.519 25.205 12.166 1.00 0.00 C ATOM 738 O ILE A 48 12.783 24.818 13.306 1.00 0.00 O ATOM 739 CB ILE A 48 13.563 23.343 10.745 1.00 0.00 C ATOM 740 CG1 ILE A 48 14.480 23.035 9.539 1.00 0.00 C ATOM 741 CG2 ILE A 48 12.156 22.743 10.505 1.00 0.00 C ATOM 742 CD1 ILE A 48 14.836 21.550 9.394 1.00 0.00 C ATOM 0 H ILE A 48 15.503 24.847 11.436 1.00 0.00 H new ATOM 0 HA ILE A 48 13.016 25.264 10.068 1.00 0.00 H new ATOM 0 HB ILE A 48 14.009 22.890 11.630 1.00 0.00 H new ATOM 0 HG12 ILE A 48 13.989 23.372 8.626 1.00 0.00 H new ATOM 0 HG13 ILE A 48 15.400 23.611 9.638 1.00 0.00 H new ATOM 0 HG21 ILE A 48 12.242 21.670 10.334 1.00 0.00 H new ATOM 0 HG22 ILE A 48 11.530 22.922 11.379 1.00 0.00 H new ATOM 0 HG23 ILE A 48 11.703 23.214 9.633 1.00 0.00 H new ATOM 0 HD11 ILE A 48 15.481 21.414 8.526 1.00 0.00 H new ATOM 0 HD12 ILE A 48 15.356 21.211 10.290 1.00 0.00 H new ATOM 0 HD13 ILE A 48 13.924 20.968 9.263 1.00 0.00 H new ATOM 754 N GLY A 49 11.451 25.958 11.895 1.00 0.00 N ATOM 755 CA GLY A 49 10.530 26.478 12.906 1.00 0.00 C ATOM 756 C GLY A 49 9.395 25.510 13.226 1.00 0.00 C ATOM 757 O GLY A 49 9.373 24.905 14.297 1.00 0.00 O ATOM 0 H GLY A 49 11.197 26.229 10.945 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.085 26.695 13.819 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.109 27.421 12.557 1.00 0.00 H new ATOM 761 N ARG A 50 8.430 25.381 12.304 1.00 0.00 N ATOM 762 CA ARG A 50 7.177 24.637 12.499 1.00 0.00 C ATOM 763 C ARG A 50 6.773 23.870 11.229 1.00 0.00 C ATOM 764 O ARG A 50 7.060 24.306 10.117 1.00 0.00 O ATOM 765 CB ARG A 50 6.062 25.593 12.981 1.00 0.00 C ATOM 766 CG ARG A 50 6.430 26.300 14.304 1.00 0.00 C ATOM 767 CD ARG A 50 5.284 27.095 14.934 1.00 0.00 C ATOM 768 NE ARG A 50 5.652 27.549 16.298 1.00 0.00 N ATOM 769 CZ ARG A 50 5.847 28.788 16.718 1.00 0.00 C ATOM 770 NH1 ARG A 50 5.721 29.835 15.945 1.00 0.00 N1+ ATOM 771 NH2 ARG A 50 6.180 29.004 17.957 1.00 0.00 N ATOM 0 H ARG A 50 8.501 25.802 11.378 1.00 0.00 H new ATOM 0 HA ARG A 50 7.335 23.887 13.274 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.870 26.342 12.212 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.138 25.031 13.116 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.773 25.552 15.019 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.267 26.974 14.121 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.046 27.956 14.310 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.387 26.477 14.980 1.00 0.00 H new ATOM 0 HE ARG A 50 5.769 26.816 16.997 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.460 29.718 14.966 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.883 30.769 16.321 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.290 28.220 18.600 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.331 29.958 18.286 1.00 0.00 H new ATOM 785 N VAL A 51 6.118 22.723 11.407 1.00 0.00 N ATOM 786 CA VAL A 51 5.825 21.729 10.355 1.00 0.00 C ATOM 787 C VAL A 51 4.384 21.249 10.479 1.00 0.00 C ATOM 788 O VAL A 51 3.903 21.007 11.582 1.00 0.00 O ATOM 789 CB VAL A 51 6.801 20.532 10.448 1.00 0.00 C ATOM 790 CG1 VAL A 51 6.570 19.505 9.333 1.00 0.00 C ATOM 791 CG2 VAL A 51 8.271 20.963 10.380 1.00 0.00 C ATOM 0 H VAL A 51 5.760 22.443 12.320 1.00 0.00 H new ATOM 0 HA VAL A 51 5.958 22.202 9.382 1.00 0.00 H new ATOM 0 HB VAL A 51 6.594 20.082 11.419 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.279 18.684 9.442 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.553 19.117 9.400 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.713 19.982 8.363 1.00 0.00 H new ATOM 0 HG21 VAL A 51 8.912 20.084 10.450 1.00 0.00 H new ATOM 0 HG22 VAL A 51 8.457 21.474 9.435 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.491 21.638 11.207 1.00 0.00 H new ATOM 801 N ASP A 52 3.694 21.078 9.347 1.00 0.00 N ATOM 802 CA ASP A 52 2.303 20.618 9.260 1.00 0.00 C ATOM 803 C ASP A 52 2.123 19.713 8.030 1.00 0.00 C ATOM 804 O ASP A 52 2.006 20.189 6.900 1.00 0.00 O ATOM 805 CB ASP A 52 1.401 21.863 9.249 1.00 0.00 C ATOM 806 CG ASP A 52 -0.106 21.577 9.260 1.00 0.00 C ATOM 807 OD1 ASP A 52 -0.566 20.490 8.848 1.00 0.00 O ATOM 808 OD2 ASP A 52 -0.874 22.467 9.680 1.00 0.00 O1- ATOM 0 H ASP A 52 4.104 21.263 8.431 1.00 0.00 H new ATOM 0 HA ASP A 52 2.023 20.005 10.117 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.645 22.476 10.117 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.636 22.455 8.364 1.00 0.00 H new ATOM 813 N LEU A 53 2.136 18.392 8.238 1.00 0.00 N ATOM 814 CA LEU A 53 2.053 17.369 7.186 1.00 0.00 C ATOM 815 C LEU A 53 0.637 17.257 6.593 1.00 0.00 C ATOM 816 O LEU A 53 0.469 16.917 5.421 1.00 0.00 O ATOM 817 CB LEU A 53 2.468 15.993 7.747 1.00 0.00 C ATOM 818 CG LEU A 53 3.869 15.830 8.372 1.00 0.00 C ATOM 819 CD1 LEU A 53 4.972 16.481 7.539 1.00 0.00 C ATOM 820 CD2 LEU A 53 3.963 16.304 9.821 1.00 0.00 C ATOM 0 H LEU A 53 2.207 17.991 9.173 1.00 0.00 H new ATOM 0 HA LEU A 53 2.733 17.676 6.392 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.736 15.712 8.504 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.383 15.269 6.937 1.00 0.00 H new ATOM 0 HG LEU A 53 4.029 14.752 8.374 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.934 16.333 8.030 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.996 16.027 6.549 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.774 17.549 7.444 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.979 16.156 10.187 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.709 17.363 9.875 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.268 15.732 10.437 1.00 0.00 H new ATOM 832 N ARG A 54 -0.380 17.569 7.401 1.00 0.00 N ATOM 833 CA ARG A 54 -1.805 17.613 7.024 1.00 0.00 C ATOM 834 C ARG A 54 -2.080 18.733 6.015 1.00 0.00 C ATOM 835 O ARG A 54 -2.817 18.513 5.055 1.00 0.00 O ATOM 836 CB ARG A 54 -2.615 17.690 8.333 1.00 0.00 C ATOM 837 CG ARG A 54 -4.088 18.135 8.277 1.00 0.00 C ATOM 838 CD ARG A 54 -4.322 19.653 8.206 1.00 0.00 C ATOM 839 NE ARG A 54 -3.515 20.405 9.190 1.00 0.00 N ATOM 840 CZ ARG A 54 -3.743 20.600 10.475 1.00 0.00 C ATOM 841 NH1 ARG A 54 -4.817 20.174 11.083 1.00 0.00 N1+ ATOM 842 NH2 ARG A 54 -2.852 21.226 11.173 1.00 0.00 N ATOM 0 H ARG A 54 -0.231 17.809 8.381 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.117 16.715 6.490 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.587 16.703 8.795 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.091 18.371 9.004 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.556 17.672 7.408 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.600 17.748 9.158 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.084 20.006 7.203 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.379 19.861 8.375 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.664 20.832 8.825 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.529 19.663 10.562 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.944 20.352 12.079 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.996 21.557 10.728 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.006 21.389 12.168 1.00 0.00 H new ATOM 856 N SER A 55 -1.457 19.899 6.204 1.00 0.00 N ATOM 857 CA SER A 55 -1.475 21.029 5.263 1.00 0.00 C ATOM 858 C SER A 55 -0.434 20.892 4.135 1.00 0.00 C ATOM 859 O SER A 55 -0.665 21.352 3.015 1.00 0.00 O ATOM 860 CB SER A 55 -1.250 22.327 6.048 1.00 0.00 C ATOM 861 OG SER A 55 -1.410 23.473 5.227 1.00 0.00 O ATOM 0 H SER A 55 -0.908 20.092 7.042 1.00 0.00 H new ATOM 0 HA SER A 55 -2.449 21.042 4.773 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.952 22.375 6.880 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.248 22.324 6.476 1.00 0.00 H new ATOM 0 HG SER A 55 -1.261 24.281 5.761 1.00 0.00 H new ATOM 867 N GLY A 56 0.701 20.225 4.408 1.00 0.00 N ATOM 868 CA GLY A 56 1.836 20.076 3.491 1.00 0.00 C ATOM 869 C GLY A 56 2.801 21.268 3.526 1.00 0.00 C ATOM 870 O GLY A 56 3.236 21.733 2.472 1.00 0.00 O ATOM 0 H GLY A 56 0.855 19.761 5.303 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.382 19.167 3.744 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.460 19.950 2.475 1.00 0.00 H new ATOM 874 N VAL A 57 3.096 21.812 4.713 1.00 0.00 N ATOM 875 CA VAL A 57 3.823 23.087 4.905 1.00 0.00 C ATOM 876 C VAL A 57 4.961 22.951 5.925 1.00 0.00 C ATOM 877 O VAL A 57 4.799 22.340 6.984 1.00 0.00 O ATOM 878 CB VAL A 57 2.850 24.222 5.306 1.00 0.00 C ATOM 879 CG1 VAL A 57 3.561 25.565 5.533 1.00 0.00 C ATOM 880 CG2 VAL A 57 1.777 24.444 4.231 1.00 0.00 C ATOM 0 H VAL A 57 2.832 21.371 5.594 1.00 0.00 H new ATOM 0 HA VAL A 57 4.278 23.348 3.949 1.00 0.00 H new ATOM 0 HB VAL A 57 2.398 23.893 6.242 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.828 26.322 5.812 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.294 25.458 6.333 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.066 25.869 4.616 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.110 25.247 4.543 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.255 24.715 3.290 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.203 23.528 4.096 1.00 0.00 H new ATOM 890 N ILE A 58 6.096 23.587 5.625 1.00 0.00 N ATOM 891 CA ILE A 58 7.258 23.768 6.510 1.00 0.00 C ATOM 892 C ILE A 58 7.583 25.270 6.592 1.00 0.00 C ATOM 893 O ILE A 58 7.891 25.901 5.581 1.00 0.00 O ATOM 894 CB ILE A 58 8.467 22.941 6.004 1.00 0.00 C ATOM 895 CG1 ILE A 58 8.168 21.424 6.057 1.00 0.00 C ATOM 896 CG2 ILE A 58 9.733 23.249 6.825 1.00 0.00 C ATOM 897 CD1 ILE A 58 9.076 20.592 5.147 1.00 0.00 C ATOM 0 H ILE A 58 6.241 24.014 4.710 1.00 0.00 H new ATOM 0 HA ILE A 58 7.027 23.403 7.511 1.00 0.00 H new ATOM 0 HB ILE A 58 8.643 23.227 4.967 1.00 0.00 H new ATOM 0 HG12 ILE A 58 8.278 21.075 7.084 1.00 0.00 H new ATOM 0 HG13 ILE A 58 7.129 21.256 5.773 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.565 22.654 6.448 1.00 0.00 H new ATOM 0 HG22 ILE A 58 9.975 24.308 6.737 1.00 0.00 H new ATOM 0 HG23 ILE A 58 9.557 23.003 7.872 1.00 0.00 H new ATOM 0 HD11 ILE A 58 8.811 19.538 5.234 1.00 0.00 H new ATOM 0 HD12 ILE A 58 8.949 20.914 4.113 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.115 20.731 5.445 1.00 0.00 H new ATOM 909 N SER A 59 7.537 25.846 7.791 1.00 0.00 N ATOM 910 CA SER A 59 7.825 27.260 8.058 1.00 0.00 C ATOM 911 C SER A 59 9.199 27.423 8.723 1.00 0.00 C ATOM 912 O SER A 59 9.452 26.853 9.793 1.00 0.00 O ATOM 913 CB SER A 59 6.711 27.856 8.926 1.00 0.00 C ATOM 914 OG SER A 59 6.949 29.238 9.162 1.00 0.00 O ATOM 0 H SER A 59 7.290 25.327 8.634 1.00 0.00 H new ATOM 0 HA SER A 59 7.857 27.802 7.113 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.748 27.726 8.432 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.657 27.323 9.875 1.00 0.00 H new ATOM 0 HG SER A 59 6.228 29.604 9.716 1.00 0.00 H new ATOM 920 N LEU A 60 10.087 28.194 8.087 1.00 0.00 N ATOM 921 CA LEU A 60 11.414 28.532 8.605 1.00 0.00 C ATOM 922 C LEU A 60 11.391 29.888 9.338 1.00 0.00 C ATOM 923 O LEU A 60 10.646 30.802 8.961 1.00 0.00 O ATOM 924 CB LEU A 60 12.459 28.536 7.478 1.00 0.00 C ATOM 925 CG LEU A 60 12.484 27.279 6.583 1.00 0.00 C ATOM 926 CD1 LEU A 60 13.615 27.413 5.564 1.00 0.00 C ATOM 927 CD2 LEU A 60 12.690 25.988 7.374 1.00 0.00 C ATOM 0 H LEU A 60 9.897 28.610 7.175 1.00 0.00 H new ATOM 0 HA LEU A 60 11.698 27.765 9.325 1.00 0.00 H new ATOM 0 HB2 LEU A 60 12.281 29.406 6.846 1.00 0.00 H new ATOM 0 HB3 LEU A 60 13.446 28.662 7.923 1.00 0.00 H new ATOM 0 HG LEU A 60 11.511 27.214 6.095 1.00 0.00 H new ATOM 0 HD11 LEU A 60 13.639 26.528 4.928 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.448 28.297 4.949 1.00 0.00 H new ATOM 0 HD13 LEU A 60 14.566 27.509 6.087 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.698 25.140 6.690 1.00 0.00 H new ATOM 0 HD22 LEU A 60 13.640 26.035 7.906 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.878 25.867 8.091 1.00 0.00 H new ATOM 939 N ILE A 61 12.230 30.023 10.368 1.00 0.00 N ATOM 940 CA ILE A 61 12.306 31.200 11.256 1.00 0.00 C ATOM 941 C ILE A 61 13.764 31.621 11.503 1.00 0.00 C ATOM 942 O ILE A 61 14.682 30.820 11.344 1.00 0.00 O ATOM 943 CB ILE A 61 11.536 30.963 12.576 1.00 0.00 C ATOM 944 CG1 ILE A 61 12.144 29.848 13.455 1.00 0.00 C ATOM 945 CG2 ILE A 61 10.047 30.675 12.304 1.00 0.00 C ATOM 946 CD1 ILE A 61 12.937 30.385 14.645 1.00 0.00 C ATOM 0 H ILE A 61 12.899 29.296 10.620 1.00 0.00 H new ATOM 0 HA ILE A 61 11.816 32.031 10.749 1.00 0.00 H new ATOM 0 HB ILE A 61 11.628 31.890 13.142 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.343 29.205 13.821 1.00 0.00 H new ATOM 0 HG13 ILE A 61 12.797 29.227 12.842 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.529 30.512 13.249 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.601 31.525 11.787 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.956 29.784 11.683 1.00 0.00 H new ATOM 0 HD11 ILE A 61 13.337 29.551 15.222 1.00 0.00 H new ATOM 0 HD12 ILE A 61 13.758 31.005 14.285 1.00 0.00 H new ATOM 0 HD13 ILE A 61 12.282 30.983 15.279 1.00 0.00 H new ATOM 958 N GLU A 62 13.990 32.881 11.883 1.00 0.00 N ATOM 959 CA GLU A 62 15.335 33.417 12.165 1.00 0.00 C ATOM 960 C GLU A 62 15.914 32.793 13.450 1.00 0.00 C ATOM 961 O GLU A 62 15.315 32.909 14.524 1.00 0.00 O ATOM 962 CB GLU A 62 15.303 34.951 12.276 1.00 0.00 C ATOM 963 CG GLU A 62 14.953 35.636 10.945 1.00 0.00 C ATOM 964 CD GLU A 62 14.960 37.177 11.067 1.00 0.00 C ATOM 965 OE1 GLU A 62 15.905 37.758 11.654 1.00 0.00 O ATOM 966 OE2 GLU A 62 14.006 37.822 10.567 1.00 0.00 O1- ATOM 0 H GLU A 62 13.245 33.566 12.006 1.00 0.00 H new ATOM 0 HA GLU A 62 15.985 33.150 11.331 1.00 0.00 H new ATOM 0 HB2 GLU A 62 14.573 35.241 13.032 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.275 35.307 12.618 1.00 0.00 H new ATOM 0 HG2 GLU A 62 15.667 35.330 10.181 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.969 35.303 10.614 1.00 0.00 H new ATOM 1113 N MET B 3 1.143 12.387 6.731 1.00 0.00 N ATOM 1114 CA MET B 3 1.528 12.278 8.144 1.00 0.00 C ATOM 1115 C MET B 3 3.013 11.891 8.257 1.00 0.00 C ATOM 1116 O MET B 3 3.655 11.533 7.263 1.00 0.00 O ATOM 1117 CB MET B 3 0.588 11.297 8.877 1.00 0.00 C ATOM 1118 CG MET B 3 0.498 9.875 8.296 1.00 0.00 C ATOM 1119 SD MET B 3 1.994 8.833 8.347 1.00 0.00 S ATOM 1120 CE MET B 3 2.112 8.510 10.126 1.00 0.00 C ATOM 0 HA MET B 3 1.416 13.244 8.636 1.00 0.00 H new ATOM 0 HB2 MET B 3 0.913 11.222 9.915 1.00 0.00 H new ATOM 0 HB3 MET B 3 -0.414 11.726 8.887 1.00 0.00 H new ATOM 0 HG2 MET B 3 -0.295 9.347 8.826 1.00 0.00 H new ATOM 0 HG3 MET B 3 0.185 9.959 7.255 1.00 0.00 H new ATOM 0 HE1 MET B 3 2.970 7.868 10.323 1.00 0.00 H new ATOM 0 HE2 MET B 3 2.234 9.453 10.660 1.00 0.00 H new ATOM 0 HE3 MET B 3 1.203 8.015 10.467 1.00 0.00 H new ATOM 1130 N ALA B 4 3.561 11.964 9.468 1.00 0.00 N ATOM 1131 CA ALA B 4 4.946 11.595 9.759 1.00 0.00 C ATOM 1132 C ALA B 4 5.089 10.880 11.117 1.00 0.00 C ATOM 1133 O ALA B 4 4.118 10.708 11.864 1.00 0.00 O ATOM 1134 CB ALA B 4 5.817 12.861 9.674 1.00 0.00 C ATOM 0 H ALA B 4 3.048 12.286 10.288 1.00 0.00 H new ATOM 0 HA ALA B 4 5.287 10.872 9.018 1.00 0.00 H new ATOM 0 HB1 ALA B 4 6.854 12.604 9.889 1.00 0.00 H new ATOM 0 HB2 ALA B 4 5.748 13.284 8.672 1.00 0.00 H new ATOM 0 HB3 ALA B 4 5.467 13.593 10.402 1.00 0.00 H new ATOM 1140 N LYS B 5 6.322 10.485 11.438 1.00 0.00 N ATOM 1141 CA LYS B 5 6.761 10.108 12.781 1.00 0.00 C ATOM 1142 C LYS B 5 7.952 10.950 13.240 1.00 0.00 C ATOM 1143 O LYS B 5 8.846 11.269 12.455 1.00 0.00 O ATOM 1144 CB LYS B 5 7.008 8.596 12.888 1.00 0.00 C ATOM 1145 CG LYS B 5 8.187 8.073 12.050 1.00 0.00 C ATOM 1146 CD LYS B 5 8.366 6.568 12.286 1.00 0.00 C ATOM 1147 CE LYS B 5 9.589 6.041 11.535 1.00 0.00 C ATOM 1148 NZ LYS B 5 9.869 4.631 11.902 1.00 0.00 N1+ ATOM 0 H LYS B 5 7.068 10.417 10.745 1.00 0.00 H new ATOM 0 HA LYS B 5 5.951 10.331 13.476 1.00 0.00 H new ATOM 0 HB2 LYS B 5 7.184 8.344 13.934 1.00 0.00 H new ATOM 0 HB3 LYS B 5 6.103 8.072 12.582 1.00 0.00 H new ATOM 0 HG2 LYS B 5 8.007 8.266 10.992 1.00 0.00 H new ATOM 0 HG3 LYS B 5 9.100 8.604 12.320 1.00 0.00 H new ATOM 0 HD2 LYS B 5 8.477 6.374 13.353 1.00 0.00 H new ATOM 0 HD3 LYS B 5 7.474 6.035 11.956 1.00 0.00 H new ATOM 0 HE2 LYS B 5 9.421 6.115 10.461 1.00 0.00 H new ATOM 0 HE3 LYS B 5 10.456 6.660 11.765 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 10.814 4.364 11.559 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 9.834 4.528 12.936 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 9.156 4.011 11.468 1.00 0.00 H new ATOM 1162 N VAL B 6 7.967 11.311 14.518 1.00 0.00 N ATOM 1163 CA VAL B 6 9.105 11.988 15.166 1.00 0.00 C ATOM 1164 C VAL B 6 10.068 10.945 15.742 1.00 0.00 C ATOM 1165 O VAL B 6 9.621 9.923 16.272 1.00 0.00 O ATOM 1166 CB VAL B 6 8.609 13.006 16.214 1.00 0.00 C ATOM 1167 CG1 VAL B 6 9.738 13.576 17.078 1.00 0.00 C ATOM 1168 CG2 VAL B 6 7.920 14.182 15.510 1.00 0.00 C ATOM 0 H VAL B 6 7.183 11.144 15.149 1.00 0.00 H new ATOM 0 HA VAL B 6 9.663 12.564 14.428 1.00 0.00 H new ATOM 0 HB VAL B 6 7.920 12.465 16.863 1.00 0.00 H new ATOM 0 HG11 VAL B 6 9.325 14.285 17.795 1.00 0.00 H new ATOM 0 HG12 VAL B 6 10.231 12.765 17.613 1.00 0.00 H new ATOM 0 HG13 VAL B 6 10.462 14.084 16.441 1.00 0.00 H new ATOM 0 HG21 VAL B 6 7.572 14.898 16.254 1.00 0.00 H new ATOM 0 HG22 VAL B 6 8.628 14.670 14.840 1.00 0.00 H new ATOM 0 HG23 VAL B 6 7.070 13.814 14.935 1.00 0.00 H new ATOM 1178 N VAL B 7 11.377 11.201 15.668 1.00 0.00 N ATOM 1179 CA VAL B 7 12.433 10.375 16.294 1.00 0.00 C ATOM 1180 C VAL B 7 13.413 11.240 17.094 1.00 0.00 C ATOM 1181 O VAL B 7 13.832 12.307 16.644 1.00 0.00 O ATOM 1182 CB VAL B 7 13.126 9.462 15.260 1.00 0.00 C ATOM 1183 CG1 VAL B 7 13.820 10.217 14.118 1.00 0.00 C ATOM 1184 CG2 VAL B 7 14.151 8.533 15.920 1.00 0.00 C ATOM 0 H VAL B 7 11.748 12.005 15.162 1.00 0.00 H new ATOM 0 HA VAL B 7 11.961 9.706 17.013 1.00 0.00 H new ATOM 0 HB VAL B 7 12.310 8.883 14.827 1.00 0.00 H new ATOM 0 HG11 VAL B 7 14.281 9.502 13.437 1.00 0.00 H new ATOM 0 HG12 VAL B 7 13.085 10.813 13.576 1.00 0.00 H new ATOM 0 HG13 VAL B 7 14.587 10.873 14.529 1.00 0.00 H new ATOM 0 HG21 VAL B 7 14.617 7.906 15.159 1.00 0.00 H new ATOM 0 HG22 VAL B 7 14.916 9.130 16.417 1.00 0.00 H new ATOM 0 HG23 VAL B 7 13.650 7.901 16.654 1.00 0.00 H new ATOM 1194 N LEU B 8 13.769 10.768 18.292 1.00 0.00 N ATOM 1195 CA LEU B 8 14.647 11.452 19.255 1.00 0.00 C ATOM 1196 C LEU B 8 15.400 10.460 20.149 1.00 0.00 C ATOM 1197 O LEU B 8 15.018 9.292 20.242 1.00 0.00 O ATOM 1198 CB LEU B 8 13.803 12.452 20.079 1.00 0.00 C ATOM 1199 CG LEU B 8 12.748 11.845 21.037 1.00 0.00 C ATOM 1200 CD1 LEU B 8 13.291 11.621 22.452 1.00 0.00 C ATOM 1201 CD2 LEU B 8 11.538 12.776 21.147 1.00 0.00 C ATOM 0 H LEU B 8 13.443 9.864 18.634 1.00 0.00 H new ATOM 0 HA LEU B 8 15.415 12.001 18.710 1.00 0.00 H new ATOM 0 HB2 LEU B 8 14.483 13.068 20.667 1.00 0.00 H new ATOM 0 HB3 LEU B 8 13.290 13.118 19.385 1.00 0.00 H new ATOM 0 HG LEU B 8 12.471 10.881 20.611 1.00 0.00 H new ATOM 0 HD11 LEU B 8 12.508 11.194 23.079 1.00 0.00 H new ATOM 0 HD12 LEU B 8 14.138 10.936 22.412 1.00 0.00 H new ATOM 0 HD13 LEU B 8 13.614 12.573 22.873 1.00 0.00 H new ATOM 0 HD21 LEU B 8 10.803 12.339 21.823 1.00 0.00 H new ATOM 0 HD22 LEU B 8 11.857 13.743 21.534 1.00 0.00 H new ATOM 0 HD23 LEU B 8 11.091 12.909 20.162 1.00 0.00 H new ATOM 1309 N VAL B 16 13.586 6.998 21.192 1.00 0.00 N ATOM 1310 CA VAL B 16 12.114 7.082 21.187 1.00 0.00 C ATOM 1311 C VAL B 16 11.593 7.472 19.795 1.00 0.00 C ATOM 1312 O VAL B 16 12.158 8.343 19.128 1.00 0.00 O ATOM 1313 CB VAL B 16 11.623 8.087 22.259 1.00 0.00 C ATOM 1314 CG1 VAL B 16 10.098 8.287 22.269 1.00 0.00 C ATOM 1315 CG2 VAL B 16 12.030 7.664 23.682 1.00 0.00 C ATOM 0 HA VAL B 16 11.715 6.098 21.432 1.00 0.00 H new ATOM 0 HB VAL B 16 12.107 9.022 21.977 1.00 0.00 H new ATOM 0 HG11 VAL B 16 9.830 9.004 23.045 1.00 0.00 H new ATOM 0 HG12 VAL B 16 9.774 8.665 21.299 1.00 0.00 H new ATOM 0 HG13 VAL B 16 9.607 7.335 22.470 1.00 0.00 H new ATOM 0 HG21 VAL B 16 11.664 8.399 24.399 1.00 0.00 H new ATOM 0 HG22 VAL B 16 11.598 6.689 23.909 1.00 0.00 H new ATOM 0 HG23 VAL B 16 13.116 7.604 23.747 1.00 0.00 H new ATOM 1325 N GLU B 17 10.482 6.858 19.377 1.00 0.00 N ATOM 1326 CA GLU B 17 9.702 7.242 18.189 1.00 0.00 C ATOM 1327 C GLU B 17 8.239 7.545 18.553 1.00 0.00 C ATOM 1328 O GLU B 17 7.674 6.916 19.451 1.00 0.00 O ATOM 1329 CB GLU B 17 9.764 6.146 17.106 1.00 0.00 C ATOM 1330 CG GLU B 17 11.173 5.963 16.510 1.00 0.00 C ATOM 1331 CD GLU B 17 11.232 4.875 15.420 1.00 0.00 C ATOM 1332 OE1 GLU B 17 10.254 4.679 14.663 1.00 0.00 O ATOM 1333 OE2 GLU B 17 12.295 4.219 15.283 1.00 0.00 O1- ATOM 0 H GLU B 17 10.086 6.056 19.868 1.00 0.00 H new ATOM 0 HA GLU B 17 10.150 8.151 17.788 1.00 0.00 H new ATOM 0 HB2 GLU B 17 9.432 5.201 17.535 1.00 0.00 H new ATOM 0 HB3 GLU B 17 9.067 6.395 16.306 1.00 0.00 H new ATOM 0 HG2 GLU B 17 11.508 6.910 16.088 1.00 0.00 H new ATOM 0 HG3 GLU B 17 11.868 5.706 17.309 1.00 0.00 H new ATOM 1340 N ILE B 18 7.621 8.494 17.848 1.00 0.00 N ATOM 1341 CA ILE B 18 6.220 8.928 18.034 1.00 0.00 C ATOM 1342 C ILE B 18 5.508 8.914 16.677 1.00 0.00 C ATOM 1343 O ILE B 18 5.866 9.700 15.797 1.00 0.00 O ATOM 1344 CB ILE B 18 6.142 10.326 18.690 1.00 0.00 C ATOM 1345 CG1 ILE B 18 6.866 10.350 20.053 1.00 0.00 C ATOM 1346 CG2 ILE B 18 4.672 10.787 18.839 1.00 0.00 C ATOM 1347 CD1 ILE B 18 6.956 11.739 20.678 1.00 0.00 C ATOM 0 H ILE B 18 8.093 9.005 17.102 1.00 0.00 H new ATOM 0 HA ILE B 18 5.721 8.234 18.711 1.00 0.00 H new ATOM 0 HB ILE B 18 6.653 11.028 18.031 1.00 0.00 H new ATOM 0 HG12 ILE B 18 6.346 9.685 20.742 1.00 0.00 H new ATOM 0 HG13 ILE B 18 7.873 9.953 19.926 1.00 0.00 H new ATOM 0 HG21 ILE B 18 4.645 11.773 19.303 1.00 0.00 H new ATOM 0 HG22 ILE B 18 4.205 10.836 17.856 1.00 0.00 H new ATOM 0 HG23 ILE B 18 4.130 10.077 19.464 1.00 0.00 H new ATOM 0 HD11 ILE B 18 7.477 11.675 21.633 1.00 0.00 H new ATOM 0 HD12 ILE B 18 7.503 12.404 20.010 1.00 0.00 H new ATOM 0 HD13 ILE B 18 5.952 12.132 20.838 1.00 0.00 H new ATOM 1359 N GLY B 19 4.528 8.026 16.501 1.00 0.00 N ATOM 1360 CA GLY B 19 3.788 7.841 15.240 1.00 0.00 C ATOM 1361 C GLY B 19 2.531 8.715 15.094 1.00 0.00 C ATOM 1362 O GLY B 19 2.113 9.405 16.026 1.00 0.00 O ATOM 0 H GLY B 19 4.216 7.400 17.243 1.00 0.00 H new ATOM 0 HA2 GLY B 19 4.459 8.053 14.407 1.00 0.00 H new ATOM 0 HA3 GLY B 19 3.497 6.794 15.157 1.00 0.00 H new ATOM 1366 N ASP B 20 1.916 8.655 13.908 1.00 0.00 N ATOM 1367 CA ASP B 20 0.648 9.317 13.544 1.00 0.00 C ATOM 1368 C ASP B 20 0.652 10.849 13.751 1.00 0.00 C ATOM 1369 O ASP B 20 -0.360 11.441 14.131 1.00 0.00 O ATOM 1370 CB ASP B 20 -0.564 8.608 14.194 1.00 0.00 C ATOM 1371 CG ASP B 20 -0.626 7.085 13.976 1.00 0.00 C ATOM 1372 OD1 ASP B 20 -1.205 6.374 14.834 1.00 0.00 O ATOM 1373 OD2 ASP B 20 -0.145 6.584 12.929 1.00 0.00 O1- ATOM 0 H ASP B 20 2.305 8.117 13.133 1.00 0.00 H new ATOM 0 HA ASP B 20 0.542 9.203 12.465 1.00 0.00 H new ATOM 0 HB2 ASP B 20 -0.548 8.805 15.266 1.00 0.00 H new ATOM 0 HB3 ASP B 20 -1.478 9.053 13.801 1.00 0.00 H new ATOM 1378 N VAL B 21 1.801 11.495 13.529 1.00 0.00 N ATOM 1379 CA VAL B 21 1.997 12.940 13.728 1.00 0.00 C ATOM 1380 C VAL B 21 1.472 13.733 12.530 1.00 0.00 C ATOM 1381 O VAL B 21 1.839 13.451 11.385 1.00 0.00 O ATOM 1382 CB VAL B 21 3.488 13.257 13.988 1.00 0.00 C ATOM 1383 CG1 VAL B 21 3.736 14.751 14.188 1.00 0.00 C ATOM 1384 CG2 VAL B 21 4.005 12.514 15.229 1.00 0.00 C ATOM 0 H VAL B 21 2.641 11.020 13.199 1.00 0.00 H new ATOM 0 HA VAL B 21 1.426 13.242 14.606 1.00 0.00 H new ATOM 0 HB VAL B 21 4.024 12.924 13.100 1.00 0.00 H new ATOM 0 HG11 VAL B 21 4.797 14.923 14.367 1.00 0.00 H new ATOM 0 HG12 VAL B 21 3.426 15.294 13.295 1.00 0.00 H new ATOM 0 HG13 VAL B 21 3.162 15.104 15.045 1.00 0.00 H new ATOM 0 HG21 VAL B 21 5.056 12.756 15.387 1.00 0.00 H new ATOM 0 HG22 VAL B 21 3.428 12.818 16.102 1.00 0.00 H new ATOM 0 HG23 VAL B 21 3.899 11.439 15.080 1.00 0.00 H new ATOM 1394 N LEU B 22 0.644 14.754 12.791 1.00 0.00 N ATOM 1395 CA LEU B 22 0.193 15.720 11.777 1.00 0.00 C ATOM 1396 C LEU B 22 0.955 17.050 11.823 1.00 0.00 C ATOM 1397 O LEU B 22 1.067 17.703 10.786 1.00 0.00 O ATOM 1398 CB LEU B 22 -1.320 15.982 11.905 1.00 0.00 C ATOM 1399 CG LEU B 22 -2.250 14.779 11.649 1.00 0.00 C ATOM 1400 CD1 LEU B 22 -3.696 15.280 11.579 1.00 0.00 C ATOM 1401 CD2 LEU B 22 -1.937 14.047 10.342 1.00 0.00 C ATOM 0 H LEU B 22 0.264 14.935 13.720 1.00 0.00 H new ATOM 0 HA LEU B 22 0.408 15.262 10.812 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -1.517 16.358 12.909 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -1.589 16.776 11.208 1.00 0.00 H new ATOM 0 HG LEU B 22 -2.098 14.077 12.468 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -4.364 14.438 11.398 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -3.961 15.758 12.522 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -3.792 16.001 10.767 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -2.625 13.211 10.219 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -2.049 14.735 9.504 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -0.914 13.673 10.371 1.00 0.00 H new ATOM 1413 N GLU B 23 1.487 17.456 12.978 1.00 0.00 N ATOM 1414 CA GLU B 23 2.185 18.742 13.135 1.00 0.00 C ATOM 1415 C GLU B 23 3.238 18.728 14.263 1.00 0.00 C ATOM 1416 O GLU B 23 3.092 18.022 15.265 1.00 0.00 O ATOM 1417 CB GLU B 23 1.154 19.888 13.288 1.00 0.00 C ATOM 1418 CG GLU B 23 0.270 19.787 14.544 1.00 0.00 C ATOM 1419 CD GLU B 23 -0.853 20.841 14.580 1.00 0.00 C ATOM 1420 OE1 GLU B 23 -0.903 21.625 15.558 1.00 0.00 O ATOM 1421 OE2 GLU B 23 -1.705 20.898 13.658 1.00 0.00 O1- ATOM 0 H GLU B 23 1.448 16.904 13.835 1.00 0.00 H new ATOM 0 HA GLU B 23 2.760 18.922 12.227 1.00 0.00 H new ATOM 0 HB2 GLU B 23 1.687 20.839 13.309 1.00 0.00 H new ATOM 0 HB3 GLU B 23 0.512 19.902 12.407 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -0.172 18.792 14.590 1.00 0.00 H new ATOM 0 HG3 GLU B 23 0.894 19.900 15.430 1.00 0.00 H new ATOM 1428 N VAL B 24 4.317 19.502 14.081 1.00 0.00 N ATOM 1429 CA VAL B 24 5.482 19.599 14.982 1.00 0.00 C ATOM 1430 C VAL B 24 5.942 21.057 15.072 1.00 0.00 C ATOM 1431 O VAL B 24 5.896 21.785 14.079 1.00 0.00 O ATOM 1432 CB VAL B 24 6.663 18.703 14.524 1.00 0.00 C ATOM 1433 CG1 VAL B 24 7.868 18.759 15.471 1.00 0.00 C ATOM 1434 CG2 VAL B 24 6.242 17.234 14.429 1.00 0.00 C ATOM 0 H VAL B 24 4.409 20.107 13.265 1.00 0.00 H new ATOM 0 HA VAL B 24 5.167 19.242 15.962 1.00 0.00 H new ATOM 0 HB VAL B 24 6.950 19.099 13.550 1.00 0.00 H new ATOM 0 HG11 VAL B 24 8.658 18.110 15.093 1.00 0.00 H new ATOM 0 HG12 VAL B 24 8.237 19.783 15.531 1.00 0.00 H new ATOM 0 HG13 VAL B 24 7.567 18.423 16.463 1.00 0.00 H new ATOM 0 HG21 VAL B 24 7.091 16.632 14.106 1.00 0.00 H new ATOM 0 HG22 VAL B 24 5.903 16.889 15.406 1.00 0.00 H new ATOM 0 HG23 VAL B 24 5.431 17.134 13.708 1.00 0.00 H new ATOM 1444 N ARG B 25 6.396 21.501 16.247 1.00 0.00 N ATOM 1445 CA ARG B 25 6.867 22.875 16.497 1.00 0.00 C ATOM 1446 C ARG B 25 8.153 22.878 17.312 1.00 0.00 C ATOM 1447 O ARG B 25 8.195 22.265 18.378 1.00 0.00 O ATOM 1448 CB ARG B 25 5.794 23.683 17.246 1.00 0.00 C ATOM 1449 CG ARG B 25 4.459 23.784 16.495 1.00 0.00 C ATOM 1450 CD ARG B 25 3.460 24.644 17.287 1.00 0.00 C ATOM 1451 NE ARG B 25 2.187 24.818 16.564 1.00 0.00 N ATOM 1452 CZ ARG B 25 1.233 23.921 16.399 1.00 0.00 C ATOM 1453 NH1 ARG B 25 1.266 22.740 16.936 1.00 0.00 N1+ ATOM 1454 NH2 ARG B 25 0.187 24.176 15.675 1.00 0.00 N ATOM 0 H ARG B 25 6.449 20.905 17.073 1.00 0.00 H new ATOM 0 HA ARG B 25 7.063 23.335 15.528 1.00 0.00 H new ATOM 0 HB2 ARG B 25 5.619 23.223 18.219 1.00 0.00 H new ATOM 0 HB3 ARG B 25 6.173 24.688 17.432 1.00 0.00 H new ATOM 0 HG2 ARG B 25 4.621 24.220 15.509 1.00 0.00 H new ATOM 0 HG3 ARG B 25 4.046 22.787 16.339 1.00 0.00 H new ATOM 0 HD2 ARG B 25 3.267 24.178 18.254 1.00 0.00 H new ATOM 0 HD3 ARG B 25 3.901 25.621 17.486 1.00 0.00 H new ATOM 0 HE ARG B 25 2.026 25.734 16.145 1.00 0.00 H new ATOM 0 HH11 ARG B 25 2.057 22.467 17.519 1.00 0.00 H new ATOM 0 HH12 ARG B 25 0.501 22.085 16.775 1.00 0.00 H new ATOM 0 HH21 ARG B 25 0.090 25.084 15.220 1.00 0.00 H new ATOM 0 HH22 ARG B 25 -0.539 23.469 15.560 1.00 0.00 H new ATOM 1468 N ALA B 26 9.175 23.611 16.874 1.00 0.00 N ATOM 1469 CA ALA B 26 10.241 24.075 17.753 1.00 0.00 C ATOM 1470 C ALA B 26 9.834 25.413 18.400 1.00 0.00 C ATOM 1471 O ALA B 26 9.398 26.348 17.724 1.00 0.00 O ATOM 1472 CB ALA B 26 11.557 24.145 16.977 1.00 0.00 C ATOM 0 H ALA B 26 9.285 23.898 15.902 1.00 0.00 H new ATOM 0 HA ALA B 26 10.401 23.371 18.569 1.00 0.00 H new ATOM 0 HB1 ALA B 26 12.351 24.492 17.638 1.00 0.00 H new ATOM 0 HB2 ALA B 26 11.808 23.155 16.597 1.00 0.00 H new ATOM 0 HB3 ALA B 26 11.451 24.838 16.142 1.00 0.00 H new ATOM 1478 N GLU B 27 9.963 25.488 19.722 1.00 0.00 N ATOM 1479 CA GLU B 27 9.500 26.579 20.588 1.00 0.00 C ATOM 1480 C GLU B 27 10.685 27.340 21.234 1.00 0.00 C ATOM 1481 O GLU B 27 10.557 27.965 22.295 1.00 0.00 O ATOM 1482 CB GLU B 27 8.511 26.025 21.639 1.00 0.00 C ATOM 1483 CG GLU B 27 7.396 25.100 21.118 1.00 0.00 C ATOM 1484 CD GLU B 27 6.266 25.812 20.343 1.00 0.00 C ATOM 1485 OE1 GLU B 27 5.093 25.388 20.487 1.00 0.00 O ATOM 1486 OE2 GLU B 27 6.518 26.774 19.575 1.00 0.00 O1- ATOM 0 H GLU B 27 10.420 24.747 20.253 1.00 0.00 H new ATOM 0 HA GLU B 27 8.971 27.312 19.979 1.00 0.00 H new ATOM 0 HB2 GLU B 27 9.083 25.480 22.390 1.00 0.00 H new ATOM 0 HB3 GLU B 27 8.044 26.870 22.145 1.00 0.00 H new ATOM 0 HG2 GLU B 27 7.843 24.347 20.469 1.00 0.00 H new ATOM 0 HG3 GLU B 27 6.958 24.571 21.965 1.00 0.00 H new ATOM 1493 N GLY B 28 11.862 27.242 20.608 1.00 0.00 N ATOM 1494 CA GLY B 28 13.141 27.783 21.083 1.00 0.00 C ATOM 1495 C GLY B 28 13.833 26.829 22.058 1.00 0.00 C ATOM 1496 O GLY B 28 14.707 26.051 21.663 1.00 0.00 O ATOM 0 H GLY B 28 11.954 26.760 19.714 1.00 0.00 H new ATOM 0 HA2 GLY B 28 13.795 27.970 20.232 1.00 0.00 H new ATOM 0 HA3 GLY B 28 12.971 28.742 21.572 1.00 0.00 H new ATOM 1500 N GLY B 29 13.409 26.849 23.326 1.00 0.00 N ATOM 1501 CA GLY B 29 13.976 26.025 24.404 1.00 0.00 C ATOM 1502 C GLY B 29 13.467 24.579 24.456 1.00 0.00 C ATOM 1503 O GLY B 29 13.921 23.786 25.287 1.00 0.00 O ATOM 0 H GLY B 29 12.647 27.450 23.640 1.00 0.00 H new ATOM 0 HA2 GLY B 29 15.060 26.008 24.295 1.00 0.00 H new ATOM 0 HA3 GLY B 29 13.759 26.504 25.359 1.00 0.00 H new ATOM 1507 N ALA B 30 12.508 24.222 23.604 1.00 0.00 N ATOM 1508 CA ALA B 30 11.817 22.934 23.586 1.00 0.00 C ATOM 1509 C ALA B 30 11.263 22.629 22.183 1.00 0.00 C ATOM 1510 O ALA B 30 11.207 23.515 21.327 1.00 0.00 O ATOM 1511 CB ALA B 30 10.667 23.003 24.611 1.00 0.00 C ATOM 0 H ALA B 30 12.176 24.852 22.874 1.00 0.00 H new ATOM 0 HA ALA B 30 12.512 22.135 23.844 1.00 0.00 H new ATOM 0 HB1 ALA B 30 10.131 22.054 24.621 1.00 0.00 H new ATOM 0 HB2 ALA B 30 11.075 23.200 25.603 1.00 0.00 H new ATOM 0 HB3 ALA B 30 9.981 23.804 24.335 1.00 0.00 H new ATOM 1517 N VAL B 31 10.758 21.410 21.984 1.00 0.00 N ATOM 1518 CA VAL B 31 9.806 21.094 20.895 1.00 0.00 C ATOM 1519 C VAL B 31 8.461 20.579 21.421 1.00 0.00 C ATOM 1520 O VAL B 31 8.359 20.097 22.553 1.00 0.00 O ATOM 1521 CB VAL B 31 10.371 20.138 19.823 1.00 0.00 C ATOM 1522 CG1 VAL B 31 11.730 20.570 19.268 1.00 0.00 C ATOM 1523 CG2 VAL B 31 10.493 18.695 20.306 1.00 0.00 C ATOM 0 H VAL B 31 10.992 20.608 22.569 1.00 0.00 H new ATOM 0 HA VAL B 31 9.636 22.050 20.400 1.00 0.00 H new ATOM 0 HB VAL B 31 9.630 20.192 19.025 1.00 0.00 H new ATOM 0 HG11 VAL B 31 12.063 19.850 18.520 1.00 0.00 H new ATOM 0 HG12 VAL B 31 11.639 21.554 18.809 1.00 0.00 H new ATOM 0 HG13 VAL B 31 12.457 20.614 20.079 1.00 0.00 H new ATOM 0 HG21 VAL B 31 10.896 18.076 19.505 1.00 0.00 H new ATOM 0 HG22 VAL B 31 11.161 18.655 21.167 1.00 0.00 H new ATOM 0 HG23 VAL B 31 9.509 18.323 20.592 1.00 0.00 H new ATOM 1533 N ARG B 32 7.440 20.630 20.558 1.00 0.00 N ATOM 1534 CA ARG B 32 6.101 20.039 20.726 1.00 0.00 C ATOM 1535 C ARG B 32 5.685 19.235 19.489 1.00 0.00 C ATOM 1536 O ARG B 32 6.044 19.587 18.365 1.00 0.00 O ATOM 1537 CB ARG B 32 5.077 21.144 21.034 1.00 0.00 C ATOM 1538 CG ARG B 32 5.147 21.592 22.503 1.00 0.00 C ATOM 1539 CD ARG B 32 4.251 22.812 22.777 1.00 0.00 C ATOM 1540 NE ARG B 32 2.844 22.570 22.396 1.00 0.00 N ATOM 1541 CZ ARG B 32 2.092 23.290 21.585 1.00 0.00 C ATOM 1542 NH1 ARG B 32 2.517 24.340 20.931 1.00 0.00 N1+ ATOM 1543 NH2 ARG B 32 0.852 22.937 21.411 1.00 0.00 N ATOM 0 H ARG B 32 7.529 21.116 19.665 1.00 0.00 H new ATOM 0 HA ARG B 32 6.134 19.345 21.566 1.00 0.00 H new ATOM 0 HB2 ARG B 32 5.259 22.000 20.384 1.00 0.00 H new ATOM 0 HB3 ARG B 32 4.073 20.782 20.812 1.00 0.00 H new ATOM 0 HG2 ARG B 32 4.844 20.767 23.148 1.00 0.00 H new ATOM 0 HG3 ARG B 32 6.178 21.835 22.759 1.00 0.00 H new ATOM 0 HD2 ARG B 32 4.300 23.066 23.836 1.00 0.00 H new ATOM 0 HD3 ARG B 32 4.632 23.671 22.225 1.00 0.00 H new ATOM 0 HE ARG B 32 2.401 21.749 22.809 1.00 0.00 H new ATOM 0 HH11 ARG B 32 3.484 24.647 21.033 1.00 0.00 H new ATOM 0 HH12 ARG B 32 1.881 24.852 20.319 1.00 0.00 H new ATOM 0 HH21 ARG B 32 0.481 22.120 21.896 1.00 0.00 H new ATOM 0 HH22 ARG B 32 0.250 23.477 20.789 1.00 0.00 H new ATOM 1557 N VAL B 33 4.913 18.171 19.700 1.00 0.00 N ATOM 1558 CA VAL B 33 4.502 17.168 18.695 1.00 0.00 C ATOM 1559 C VAL B 33 3.014 16.858 18.883 1.00 0.00 C ATOM 1560 O VAL B 33 2.617 16.551 20.004 1.00 0.00 O ATOM 1561 CB VAL B 33 5.343 15.879 18.862 1.00 0.00 C ATOM 1562 CG1 VAL B 33 4.942 14.793 17.859 1.00 0.00 C ATOM 1563 CG2 VAL B 33 6.853 16.141 18.737 1.00 0.00 C ATOM 0 H VAL B 33 4.532 17.966 20.624 1.00 0.00 H new ATOM 0 HA VAL B 33 4.668 17.561 17.692 1.00 0.00 H new ATOM 0 HB VAL B 33 5.131 15.527 19.872 1.00 0.00 H new ATOM 0 HG11 VAL B 33 5.559 13.908 18.015 1.00 0.00 H new ATOM 0 HG12 VAL B 33 3.893 14.534 18.003 1.00 0.00 H new ATOM 0 HG13 VAL B 33 5.088 15.163 16.844 1.00 0.00 H new ATOM 0 HG21 VAL B 33 7.396 15.204 18.862 1.00 0.00 H new ATOM 0 HG22 VAL B 33 7.070 16.558 17.753 1.00 0.00 H new ATOM 0 HG23 VAL B 33 7.165 16.847 19.507 1.00 0.00 H new ATOM 1573 N THR B 34 2.190 16.910 17.824 1.00 0.00 N ATOM 1574 CA THR B 34 0.728 16.681 17.908 1.00 0.00 C ATOM 1575 C THR B 34 0.241 15.636 16.896 1.00 0.00 C ATOM 1576 O THR B 34 0.604 15.661 15.712 1.00 0.00 O ATOM 1577 CB THR B 34 -0.066 17.993 17.784 1.00 0.00 C ATOM 1578 OG1 THR B 34 0.382 18.945 18.730 1.00 0.00 O ATOM 1579 CG2 THR B 34 -1.563 17.813 18.015 1.00 0.00 C ATOM 0 H THR B 34 2.515 17.113 16.879 1.00 0.00 H new ATOM 0 HA THR B 34 0.538 16.275 18.901 1.00 0.00 H new ATOM 0 HB THR B 34 0.103 18.331 16.762 1.00 0.00 H new ATOM 0 HG1 THR B 34 -0.135 19.772 18.632 1.00 0.00 H new ATOM 0 HG21 THR B 34 -2.065 18.775 17.913 1.00 0.00 H new ATOM 0 HG22 THR B 34 -1.963 17.115 17.279 1.00 0.00 H new ATOM 0 HG23 THR B 34 -1.732 17.420 19.017 1.00 0.00 H new ATOM 1587 N THR B 35 -0.579 14.701 17.381 1.00 0.00 N ATOM 1588 CA THR B 35 -1.055 13.519 16.645 1.00 0.00 C ATOM 1589 C THR B 35 -2.382 13.734 15.902 1.00 0.00 C ATOM 1590 O THR B 35 -3.136 14.679 16.158 1.00 0.00 O ATOM 1591 CB THR B 35 -1.200 12.305 17.582 1.00 0.00 C ATOM 1592 OG1 THR B 35 -2.251 12.505 18.501 1.00 0.00 O ATOM 1593 CG2 THR B 35 0.081 11.980 18.360 1.00 0.00 C ATOM 0 H THR B 35 -0.945 14.744 18.332 1.00 0.00 H new ATOM 0 HA THR B 35 -0.290 13.332 15.892 1.00 0.00 H new ATOM 0 HB THR B 35 -1.417 11.457 16.932 1.00 0.00 H new ATOM 0 HG1 THR B 35 -2.018 13.236 19.111 1.00 0.00 H new ATOM 0 HG21 THR B 35 -0.092 11.115 19.000 1.00 0.00 H new ATOM 0 HG22 THR B 35 0.886 11.758 17.659 1.00 0.00 H new ATOM 0 HG23 THR B 35 0.361 12.836 18.974 1.00 0.00 H new ATOM 1601 N LEU B 36 -2.706 12.786 15.016 1.00 0.00 N ATOM 1602 CA LEU B 36 -3.995 12.591 14.337 1.00 0.00 C ATOM 1603 C LEU B 36 -5.203 12.541 15.291 1.00 0.00 C ATOM 1604 O LEU B 36 -6.315 12.902 14.902 1.00 0.00 O ATOM 1605 CB LEU B 36 -3.829 11.277 13.543 1.00 0.00 C ATOM 1606 CG LEU B 36 -5.077 10.725 12.830 1.00 0.00 C ATOM 1607 CD1 LEU B 36 -5.613 11.692 11.776 1.00 0.00 C ATOM 1608 CD2 LEU B 36 -4.714 9.425 12.111 1.00 0.00 C ATOM 0 H LEU B 36 -2.025 12.082 14.733 1.00 0.00 H new ATOM 0 HA LEU B 36 -4.222 13.442 13.694 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -3.052 11.430 12.794 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.465 10.512 14.228 1.00 0.00 H new ATOM 0 HG LEU B 36 -5.840 10.570 13.593 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -6.493 11.260 11.300 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -5.884 12.635 12.251 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -4.845 11.872 11.024 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -5.595 9.031 11.605 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -3.932 9.621 11.378 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -4.356 8.695 12.837 1.00 0.00 H new ATOM 1620 N PHE B 37 -4.995 12.127 16.549 1.00 0.00 N ATOM 1621 CA PHE B 37 -6.030 11.961 17.579 1.00 0.00 C ATOM 1622 C PHE B 37 -6.091 13.119 18.597 1.00 0.00 C ATOM 1623 O PHE B 37 -6.711 12.990 19.655 1.00 0.00 O ATOM 1624 CB PHE B 37 -5.863 10.567 18.214 1.00 0.00 C ATOM 1625 CG PHE B 37 -5.853 9.454 17.175 1.00 0.00 C ATOM 1626 CD1 PHE B 37 -4.633 8.861 16.790 1.00 0.00 C ATOM 1627 CD2 PHE B 37 -7.043 9.098 16.516 1.00 0.00 C ATOM 1628 CE1 PHE B 37 -4.613 7.928 15.738 1.00 0.00 C ATOM 1629 CE2 PHE B 37 -7.021 8.157 15.470 1.00 0.00 C ATOM 1630 CZ PHE B 37 -5.803 7.579 15.073 1.00 0.00 C ATOM 0 H PHE B 37 -4.064 11.889 16.890 1.00 0.00 H new ATOM 0 HA PHE B 37 -7.012 12.013 17.108 1.00 0.00 H new ATOM 0 HB2 PHE B 37 -4.933 10.538 18.782 1.00 0.00 H new ATOM 0 HB3 PHE B 37 -6.674 10.393 18.921 1.00 0.00 H new ATOM 0 HD1 PHE B 37 -3.718 9.122 17.301 1.00 0.00 H new ATOM 0 HD2 PHE B 37 -7.978 9.549 16.814 1.00 0.00 H new ATOM 0 HE1 PHE B 37 -3.679 7.477 15.439 1.00 0.00 H new ATOM 0 HE2 PHE B 37 -7.939 7.879 14.973 1.00 0.00 H new ATOM 0 HZ PHE B 37 -5.780 6.869 14.260 1.00 0.00 H new ATOM 1640 N ASP B 38 -5.452 14.249 18.273 1.00 0.00 N ATOM 1641 CA ASP B 38 -5.390 15.494 19.066 1.00 0.00 C ATOM 1642 C ASP B 38 -4.720 15.356 20.458 1.00 0.00 C ATOM 1643 O ASP B 38 -4.819 16.238 21.315 1.00 0.00 O ATOM 1644 CB ASP B 38 -6.777 16.171 19.092 1.00 0.00 C ATOM 1645 CG ASP B 38 -6.748 17.661 19.471 1.00 0.00 C ATOM 1646 OD1 ASP B 38 -5.793 18.385 19.094 1.00 0.00 O ATOM 1647 OD2 ASP B 38 -7.723 18.136 20.107 1.00 0.00 O1- ATOM 0 H ASP B 38 -4.932 14.329 17.399 1.00 0.00 H new ATOM 0 HA ASP B 38 -4.699 16.164 18.553 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -7.237 16.067 18.109 1.00 0.00 H new ATOM 0 HB3 ASP B 38 -7.414 15.641 19.800 1.00 0.00 H new ATOM 1652 N GLU B 39 -4.002 14.254 20.694 1.00 0.00 N ATOM 1653 CA GLU B 39 -3.024 14.129 21.779 1.00 0.00 C ATOM 1654 C GLU B 39 -1.708 14.824 21.396 1.00 0.00 C ATOM 1655 O GLU B 39 -1.328 14.823 20.221 1.00 0.00 O ATOM 1656 CB GLU B 39 -2.758 12.650 22.119 1.00 0.00 C ATOM 1657 CG GLU B 39 -3.996 11.878 22.609 1.00 0.00 C ATOM 1658 CD GLU B 39 -4.670 12.483 23.857 1.00 0.00 C ATOM 1659 OE1 GLU B 39 -5.915 12.389 23.988 1.00 0.00 O ATOM 1660 OE2 GLU B 39 -3.966 13.040 24.739 1.00 0.00 O1- ATOM 0 H GLU B 39 -4.085 13.410 20.127 1.00 0.00 H new ATOM 0 HA GLU B 39 -3.440 14.614 22.662 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -2.361 12.152 21.234 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -1.986 12.599 22.887 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -4.726 11.836 21.801 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -3.705 10.851 22.830 1.00 0.00 H new ATOM 1667 N GLU B 40 -0.995 15.388 22.374 1.00 0.00 N ATOM 1668 CA GLU B 40 0.294 16.057 22.164 1.00 0.00 C ATOM 1669 C GLU B 40 1.378 15.611 23.158 1.00 0.00 C ATOM 1670 O GLU B 40 1.091 15.096 24.244 1.00 0.00 O ATOM 1671 CB GLU B 40 0.128 17.594 22.119 1.00 0.00 C ATOM 1672 CG GLU B 40 0.103 18.268 23.500 1.00 0.00 C ATOM 1673 CD GLU B 40 -0.260 19.760 23.401 1.00 0.00 C ATOM 1674 OE1 GLU B 40 -1.313 20.170 23.957 1.00 0.00 O ATOM 1675 OE2 GLU B 40 0.513 20.549 22.808 1.00 0.00 O1- ATOM 0 H GLU B 40 -1.300 15.394 23.347 1.00 0.00 H new ATOM 0 HA GLU B 40 0.655 15.739 21.186 1.00 0.00 H new ATOM 0 HB2 GLU B 40 0.944 18.019 21.535 1.00 0.00 H new ATOM 0 HB3 GLU B 40 -0.797 17.833 21.594 1.00 0.00 H new ATOM 0 HG2 GLU B 40 -0.619 17.760 24.139 1.00 0.00 H new ATOM 0 HG3 GLU B 40 1.079 18.162 23.974 1.00 0.00 H new ATOM 1682 N HIS B 41 2.635 15.834 22.768 1.00 0.00 N ATOM 1683 CA HIS B 41 3.856 15.540 23.517 1.00 0.00 C ATOM 1684 C HIS B 41 4.789 16.760 23.484 1.00 0.00 C ATOM 1685 O HIS B 41 4.745 17.543 22.533 1.00 0.00 O ATOM 1686 CB HIS B 41 4.555 14.296 22.932 1.00 0.00 C ATOM 1687 CG HIS B 41 3.642 13.109 22.718 1.00 0.00 C ATOM 1688 ND1 HIS B 41 3.285 12.169 23.686 1.00 0.00 N ATOM 1689 CD2 HIS B 41 2.992 12.809 21.550 1.00 0.00 C ATOM 1690 CE1 HIS B 41 2.433 11.325 23.082 1.00 0.00 C ATOM 1691 NE2 HIS B 41 2.243 11.683 21.799 1.00 0.00 N ATOM 0 H HIS B 41 2.839 16.252 21.860 1.00 0.00 H new ATOM 0 HA HIS B 41 3.600 15.326 24.555 1.00 0.00 H new ATOM 0 HB2 HIS B 41 5.011 14.565 21.979 1.00 0.00 H new ATOM 0 HB3 HIS B 41 5.364 14.001 23.600 1.00 0.00 H new ATOM 0 HD2 HIS B 41 3.055 13.350 20.618 1.00 0.00 H new ATOM 0 HE1 HIS B 41 1.965 10.477 23.560 1.00 0.00 H new ATOM 0 HE2 HIS B 41 1.646 11.202 21.127 1.00 0.00 H new ATOM 1699 N ALA B 42 5.636 16.922 24.503 1.00 0.00 N ATOM 1700 CA ALA B 42 6.522 18.076 24.660 1.00 0.00 C ATOM 1701 C ALA B 42 7.885 17.684 25.260 1.00 0.00 C ATOM 1702 O ALA B 42 7.954 16.889 26.206 1.00 0.00 O ATOM 1703 CB ALA B 42 5.799 19.127 25.505 1.00 0.00 C ATOM 0 H ALA B 42 5.726 16.241 25.257 1.00 0.00 H new ATOM 0 HA ALA B 42 6.749 18.495 23.679 1.00 0.00 H new ATOM 0 HB1 ALA B 42 6.444 19.996 25.634 1.00 0.00 H new ATOM 0 HB2 ALA B 42 4.880 19.428 25.003 1.00 0.00 H new ATOM 0 HB3 ALA B 42 5.558 18.706 26.481 1.00 0.00 H new ATOM 1709 N PHE B 43 8.970 18.249 24.712 1.00 0.00 N ATOM 1710 CA PHE B 43 10.352 17.860 25.020 1.00 0.00 C ATOM 1711 C PHE B 43 11.284 19.079 25.124 1.00 0.00 C ATOM 1712 O PHE B 43 11.753 19.592 24.101 1.00 0.00 O ATOM 1713 CB PHE B 43 10.862 16.871 23.960 1.00 0.00 C ATOM 1714 CG PHE B 43 10.028 15.614 23.827 1.00 0.00 C ATOM 1715 CD1 PHE B 43 9.054 15.524 22.817 1.00 0.00 C ATOM 1716 CD2 PHE B 43 10.189 14.557 24.745 1.00 0.00 C ATOM 1717 CE1 PHE B 43 8.225 14.393 22.744 1.00 0.00 C ATOM 1718 CE2 PHE B 43 9.352 13.427 24.674 1.00 0.00 C ATOM 1719 CZ PHE B 43 8.367 13.348 23.677 1.00 0.00 C ATOM 0 H PHE B 43 8.909 19.004 24.029 1.00 0.00 H new ATOM 0 HA PHE B 43 10.356 17.374 25.996 1.00 0.00 H new ATOM 0 HB2 PHE B 43 10.893 17.376 22.994 1.00 0.00 H new ATOM 0 HB3 PHE B 43 11.886 16.589 24.206 1.00 0.00 H new ATOM 0 HD1 PHE B 43 8.944 16.323 22.099 1.00 0.00 H new ATOM 0 HD2 PHE B 43 10.955 14.614 25.504 1.00 0.00 H new ATOM 0 HE1 PHE B 43 7.476 14.324 21.969 1.00 0.00 H new ATOM 0 HE2 PHE B 43 9.468 12.623 25.385 1.00 0.00 H new ATOM 0 HZ PHE B 43 7.718 12.486 23.626 1.00 0.00 H new ATOM 1729 N PRO B 44 11.577 19.558 26.349 1.00 0.00 N ATOM 1730 CA PRO B 44 12.607 20.563 26.590 1.00 0.00 C ATOM 1731 C PRO B 44 14.001 20.086 26.164 1.00 0.00 C ATOM 1732 O PRO B 44 14.356 18.915 26.310 1.00 0.00 O ATOM 1733 CB PRO B 44 12.553 20.876 28.093 1.00 0.00 C ATOM 1734 CG PRO B 44 11.131 20.464 28.481 1.00 0.00 C ATOM 1735 CD PRO B 44 10.873 19.258 27.585 1.00 0.00 C ATOM 0 HA PRO B 44 12.419 21.454 25.991 1.00 0.00 H new ATOM 0 HB2 PRO B 44 13.302 20.313 28.649 1.00 0.00 H new ATOM 0 HB3 PRO B 44 12.735 21.932 28.292 1.00 0.00 H new ATOM 0 HG2 PRO B 44 11.059 20.206 29.538 1.00 0.00 H new ATOM 0 HG3 PRO B 44 10.414 21.264 28.299 1.00 0.00 H new ATOM 0 HD2 PRO B 44 11.245 18.340 28.040 1.00 0.00 H new ATOM 0 HD3 PRO B 44 9.807 19.117 27.409 1.00 0.00 H new ATOM 1743 N GLY B 45 14.810 21.011 25.652 1.00 0.00 N ATOM 1744 CA GLY B 45 16.216 20.765 25.311 1.00 0.00 C ATOM 1745 C GLY B 45 16.453 20.043 23.976 1.00 0.00 C ATOM 1746 O GLY B 45 17.567 19.581 23.726 1.00 0.00 O ATOM 0 H GLY B 45 14.507 21.966 25.459 1.00 0.00 H new ATOM 0 HA2 GLY B 45 16.739 21.721 25.285 1.00 0.00 H new ATOM 0 HA3 GLY B 45 16.668 20.176 26.109 1.00 0.00 H new ATOM 1750 N LEU B 46 15.434 19.945 23.120 1.00 0.00 N ATOM 1751 CA LEU B 46 15.543 19.465 21.738 1.00 0.00 C ATOM 1752 C LEU B 46 15.257 20.585 20.722 1.00 0.00 C ATOM 1753 O LEU B 46 14.626 21.597 21.038 1.00 0.00 O ATOM 1754 CB LEU B 46 14.615 18.252 21.503 1.00 0.00 C ATOM 1755 CG LEU B 46 14.918 16.998 22.343 1.00 0.00 C ATOM 1756 CD1 LEU B 46 13.955 15.877 21.944 1.00 0.00 C ATOM 1757 CD2 LEU B 46 16.341 16.474 22.127 1.00 0.00 C ATOM 0 H LEU B 46 14.481 20.205 23.375 1.00 0.00 H new ATOM 0 HA LEU B 46 16.572 19.142 21.583 1.00 0.00 H new ATOM 0 HB2 LEU B 46 13.589 18.560 21.704 1.00 0.00 H new ATOM 0 HB3 LEU B 46 14.666 17.980 20.449 1.00 0.00 H new ATOM 0 HG LEU B 46 14.804 17.285 23.388 1.00 0.00 H new ATOM 0 HD11 LEU B 46 14.167 14.987 22.537 1.00 0.00 H new ATOM 0 HD12 LEU B 46 12.929 16.197 22.124 1.00 0.00 H new ATOM 0 HD13 LEU B 46 14.083 15.647 20.886 1.00 0.00 H new ATOM 0 HD21 LEU B 46 16.500 15.589 22.743 1.00 0.00 H new ATOM 0 HD22 LEU B 46 16.478 16.214 21.077 1.00 0.00 H new ATOM 0 HD23 LEU B 46 17.059 17.245 22.406 1.00 0.00 H new ATOM 1769 N ALA B 47 15.692 20.356 19.483 1.00 0.00 N ATOM 1770 CA ALA B 47 15.420 21.163 18.295 1.00 0.00 C ATOM 1771 C ALA B 47 15.206 20.268 17.060 1.00 0.00 C ATOM 1772 O ALA B 47 15.655 19.119 17.037 1.00 0.00 O ATOM 1773 CB ALA B 47 16.597 22.123 18.095 1.00 0.00 C ATOM 0 H ALA B 47 16.281 19.551 19.270 1.00 0.00 H new ATOM 0 HA ALA B 47 14.501 21.734 18.430 1.00 0.00 H new ATOM 0 HB1 ALA B 47 16.419 22.738 17.213 1.00 0.00 H new ATOM 0 HB2 ALA B 47 16.696 22.764 18.971 1.00 0.00 H new ATOM 0 HB3 ALA B 47 17.514 21.550 17.959 1.00 0.00 H new ATOM 1779 N ILE B 48 14.524 20.770 16.022 1.00 0.00 N ATOM 1780 CA ILE B 48 14.325 20.027 14.762 1.00 0.00 C ATOM 1781 C ILE B 48 15.625 20.046 13.938 1.00 0.00 C ATOM 1782 O ILE B 48 16.113 21.120 13.574 1.00 0.00 O ATOM 1783 CB ILE B 48 13.122 20.572 13.950 1.00 0.00 C ATOM 1784 CG1 ILE B 48 11.803 20.523 14.765 1.00 0.00 C ATOM 1785 CG2 ILE B 48 12.959 19.760 12.652 1.00 0.00 C ATOM 1786 CD1 ILE B 48 10.683 21.385 14.162 1.00 0.00 C ATOM 0 H ILE B 48 14.096 21.696 16.027 1.00 0.00 H new ATOM 0 HA ILE B 48 14.082 18.993 15.007 1.00 0.00 H new ATOM 0 HB ILE B 48 13.329 21.616 13.714 1.00 0.00 H new ATOM 0 HG12 ILE B 48 11.462 19.490 14.829 1.00 0.00 H new ATOM 0 HG13 ILE B 48 12.001 20.857 15.783 1.00 0.00 H new ATOM 0 HG21 ILE B 48 12.112 20.147 12.085 1.00 0.00 H new ATOM 0 HG22 ILE B 48 13.866 19.845 12.053 1.00 0.00 H new ATOM 0 HG23 ILE B 48 12.783 18.713 12.898 1.00 0.00 H new ATOM 0 HD11 ILE B 48 9.789 21.305 14.781 1.00 0.00 H new ATOM 0 HD12 ILE B 48 11.006 22.425 14.123 1.00 0.00 H new ATOM 0 HD13 ILE B 48 10.458 21.037 13.154 1.00 0.00 H new ATOM 1798 N GLY B 49 16.173 18.869 13.622 1.00 0.00 N ATOM 1799 CA GLY B 49 17.392 18.694 12.825 1.00 0.00 C ATOM 1800 C GLY B 49 17.127 18.415 11.341 1.00 0.00 C ATOM 1801 O GLY B 49 17.821 18.957 10.476 1.00 0.00 O ATOM 0 H GLY B 49 15.768 17.983 13.923 1.00 0.00 H new ATOM 0 HA2 GLY B 49 18.004 19.592 12.913 1.00 0.00 H new ATOM 0 HA3 GLY B 49 17.972 17.871 13.242 1.00 0.00 H new ATOM 1805 N ARG B 50 16.126 17.586 11.020 1.00 0.00 N ATOM 1806 CA ARG B 50 15.781 17.179 9.640 1.00 0.00 C ATOM 1807 C ARG B 50 14.287 16.873 9.489 1.00 0.00 C ATOM 1808 O ARG B 50 13.679 16.319 10.403 1.00 0.00 O ATOM 1809 CB ARG B 50 16.658 15.973 9.249 1.00 0.00 C ATOM 1810 CG ARG B 50 16.632 15.626 7.753 1.00 0.00 C ATOM 1811 CD ARG B 50 17.602 14.466 7.487 1.00 0.00 C ATOM 1812 NE ARG B 50 17.727 14.149 6.055 1.00 0.00 N ATOM 1813 CZ ARG B 50 18.295 13.074 5.542 1.00 0.00 C ATOM 1814 NH1 ARG B 50 18.804 12.124 6.271 1.00 0.00 N1+ ATOM 1815 NH2 ARG B 50 18.364 12.940 4.255 1.00 0.00 N ATOM 0 H ARG B 50 15.517 17.167 11.723 1.00 0.00 H new ATOM 0 HA ARG B 50 15.983 18.007 8.960 1.00 0.00 H new ATOM 0 HB2 ARG B 50 17.687 16.177 9.544 1.00 0.00 H new ATOM 0 HB3 ARG B 50 16.331 15.102 9.817 1.00 0.00 H new ATOM 0 HG2 ARG B 50 15.623 15.349 7.449 1.00 0.00 H new ATOM 0 HG3 ARG B 50 16.915 16.496 7.161 1.00 0.00 H new ATOM 0 HD2 ARG B 50 18.584 14.720 7.886 1.00 0.00 H new ATOM 0 HD3 ARG B 50 17.259 13.581 8.023 1.00 0.00 H new ATOM 0 HE ARG B 50 17.338 14.824 5.397 1.00 0.00 H new ATOM 0 HH11 ARG B 50 18.775 12.191 7.288 1.00 0.00 H new ATOM 0 HH12 ARG B 50 19.232 11.313 5.825 1.00 0.00 H new ATOM 0 HH21 ARG B 50 17.981 13.663 3.646 1.00 0.00 H new ATOM 0 HH22 ARG B 50 18.802 12.112 3.851 1.00 0.00 H new ATOM 1829 N VAL B 51 13.722 17.183 8.324 1.00 0.00 N ATOM 1830 CA VAL B 51 12.343 16.849 7.920 1.00 0.00 C ATOM 1831 C VAL B 51 12.396 16.157 6.556 1.00 0.00 C ATOM 1832 O VAL B 51 12.993 16.690 5.621 1.00 0.00 O ATOM 1833 CB VAL B 51 11.456 18.115 7.846 1.00 0.00 C ATOM 1834 CG1 VAL B 51 10.020 17.781 7.422 1.00 0.00 C ATOM 1835 CG2 VAL B 51 11.394 18.861 9.187 1.00 0.00 C ATOM 0 H VAL B 51 14.227 17.695 7.600 1.00 0.00 H new ATOM 0 HA VAL B 51 11.900 16.187 8.664 1.00 0.00 H new ATOM 0 HB VAL B 51 11.924 18.754 7.097 1.00 0.00 H new ATOM 0 HG11 VAL B 51 9.430 18.697 7.382 1.00 0.00 H new ATOM 0 HG12 VAL B 51 10.031 17.313 6.438 1.00 0.00 H new ATOM 0 HG13 VAL B 51 9.577 17.095 8.145 1.00 0.00 H new ATOM 0 HG21 VAL B 51 10.760 19.742 9.084 1.00 0.00 H new ATOM 0 HG22 VAL B 51 10.980 18.203 9.951 1.00 0.00 H new ATOM 0 HG23 VAL B 51 12.398 19.169 9.479 1.00 0.00 H new ATOM 1845 N ASP B 52 11.801 14.977 6.428 1.00 0.00 N ATOM 1846 CA ASP B 52 11.891 14.133 5.230 1.00 0.00 C ATOM 1847 C ASP B 52 10.494 13.645 4.805 1.00 0.00 C ATOM 1848 O ASP B 52 9.894 12.789 5.461 1.00 0.00 O ATOM 1849 CB ASP B 52 12.885 12.997 5.518 1.00 0.00 C ATOM 1850 CG ASP B 52 13.237 12.145 4.294 1.00 0.00 C ATOM 1851 OD1 ASP B 52 12.336 11.805 3.498 1.00 0.00 O ATOM 1852 OD2 ASP B 52 14.428 11.793 4.119 1.00 0.00 O1- ATOM 0 H ASP B 52 11.229 14.567 7.166 1.00 0.00 H new ATOM 0 HA ASP B 52 12.268 14.697 4.377 1.00 0.00 H new ATOM 0 HB2 ASP B 52 13.801 13.425 5.924 1.00 0.00 H new ATOM 0 HB3 ASP B 52 12.467 12.350 6.289 1.00 0.00 H new ATOM 1857 N LEU B 53 9.967 14.208 3.711 1.00 0.00 N ATOM 1858 CA LEU B 53 8.628 13.908 3.184 1.00 0.00 C ATOM 1859 C LEU B 53 8.604 12.613 2.345 1.00 0.00 C ATOM 1860 O LEU B 53 7.557 11.984 2.203 1.00 0.00 O ATOM 1861 CB LEU B 53 8.098 15.094 2.347 1.00 0.00 C ATOM 1862 CG LEU B 53 7.990 16.488 3.003 1.00 0.00 C ATOM 1863 CD1 LEU B 53 7.313 16.455 4.370 1.00 0.00 C ATOM 1864 CD2 LEU B 53 9.313 17.244 3.111 1.00 0.00 C ATOM 0 H LEU B 53 10.469 14.900 3.155 1.00 0.00 H new ATOM 0 HA LEU B 53 7.975 13.752 4.043 1.00 0.00 H new ATOM 0 HB2 LEU B 53 8.741 15.192 1.472 1.00 0.00 H new ATOM 0 HB3 LEU B 53 7.106 14.823 1.985 1.00 0.00 H new ATOM 0 HG LEU B 53 7.358 17.039 2.307 1.00 0.00 H new ATOM 0 HD11 LEU B 53 7.268 17.465 4.778 1.00 0.00 H new ATOM 0 HD12 LEU B 53 6.302 16.060 4.266 1.00 0.00 H new ATOM 0 HD13 LEU B 53 7.885 15.817 5.044 1.00 0.00 H new ATOM 0 HD21 LEU B 53 9.142 18.211 3.583 1.00 0.00 H new ATOM 0 HD22 LEU B 53 10.015 16.666 3.712 1.00 0.00 H new ATOM 0 HD23 LEU B 53 9.728 17.395 2.115 1.00 0.00 H new ATOM 1876 N ARG B 54 9.759 12.183 1.827 1.00 0.00 N ATOM 1877 CA ARG B 54 9.948 10.894 1.132 1.00 0.00 C ATOM 1878 C ARG B 54 9.718 9.723 2.089 1.00 0.00 C ATOM 1879 O ARG B 54 9.036 8.762 1.739 1.00 0.00 O ATOM 1880 CB ARG B 54 11.355 10.909 0.490 1.00 0.00 C ATOM 1881 CG ARG B 54 12.142 9.586 0.499 1.00 0.00 C ATOM 1882 CD ARG B 54 13.602 9.796 0.061 1.00 0.00 C ATOM 1883 NE ARG B 54 14.328 10.641 1.033 1.00 0.00 N ATOM 1884 CZ ARG B 54 15.392 11.396 0.813 1.00 0.00 C ATOM 1885 NH1 ARG B 54 16.014 11.427 -0.332 1.00 0.00 N1+ ATOM 1886 NH2 ARG B 54 15.844 12.142 1.773 1.00 0.00 N ATOM 0 H ARG B 54 10.616 12.734 1.878 1.00 0.00 H new ATOM 0 HA ARG B 54 9.213 10.758 0.339 1.00 0.00 H new ATOM 0 HB2 ARG B 54 11.251 11.234 -0.545 1.00 0.00 H new ATOM 0 HB3 ARG B 54 11.953 11.662 1.003 1.00 0.00 H new ATOM 0 HG2 ARG B 54 12.120 9.155 1.500 1.00 0.00 H new ATOM 0 HG3 ARG B 54 11.660 8.870 -0.167 1.00 0.00 H new ATOM 0 HD2 ARG B 54 14.100 8.831 -0.032 1.00 0.00 H new ATOM 0 HD3 ARG B 54 13.627 10.264 -0.923 1.00 0.00 H new ATOM 0 HE ARG B 54 13.966 10.642 1.986 1.00 0.00 H new ATOM 0 HH11 ARG B 54 15.684 10.852 -1.107 1.00 0.00 H new ATOM 0 HH12 ARG B 54 16.831 12.026 -0.453 1.00 0.00 H new ATOM 0 HH21 ARG B 54 15.380 12.141 2.681 1.00 0.00 H new ATOM 0 HH22 ARG B 54 16.663 12.730 1.620 1.00 0.00 H new ATOM 1900 N SER B 55 10.285 9.806 3.289 1.00 0.00 N ATOM 1901 CA SER B 55 10.209 8.765 4.323 1.00 0.00 C ATOM 1902 C SER B 55 9.039 8.965 5.303 1.00 0.00 C ATOM 1903 O SER B 55 8.525 7.994 5.867 1.00 0.00 O ATOM 1904 CB SER B 55 11.556 8.740 5.058 1.00 0.00 C ATOM 1905 OG SER B 55 11.650 7.628 5.934 1.00 0.00 O ATOM 0 H SER B 55 10.826 10.619 3.582 1.00 0.00 H new ATOM 0 HA SER B 55 10.012 7.807 3.843 1.00 0.00 H new ATOM 0 HB2 SER B 55 12.367 8.702 4.331 1.00 0.00 H new ATOM 0 HB3 SER B 55 11.679 9.663 5.625 1.00 0.00 H new ATOM 0 HG SER B 55 12.520 7.640 6.386 1.00 0.00 H new ATOM 1911 N GLY B 56 8.589 10.212 5.493 1.00 0.00 N ATOM 1912 CA GLY B 56 7.600 10.582 6.514 1.00 0.00 C ATOM 1913 C GLY B 56 8.212 10.651 7.914 1.00 0.00 C ATOM 1914 O GLY B 56 7.658 10.093 8.859 1.00 0.00 O ATOM 0 H GLY B 56 8.906 11.004 4.934 1.00 0.00 H new ATOM 0 HA2 GLY B 56 7.165 11.549 6.262 1.00 0.00 H new ATOM 0 HA3 GLY B 56 6.787 9.856 6.510 1.00 0.00 H new ATOM 1918 N VAL B 57 9.388 11.275 8.047 1.00 0.00 N ATOM 1919 CA VAL B 57 10.192 11.297 9.288 1.00 0.00 C ATOM 1920 C VAL B 57 10.643 12.717 9.656 1.00 0.00 C ATOM 1921 O VAL B 57 11.045 13.492 8.787 1.00 0.00 O ATOM 1922 CB VAL B 57 11.397 10.329 9.187 1.00 0.00 C ATOM 1923 CG1 VAL B 57 12.323 10.395 10.411 1.00 0.00 C ATOM 1924 CG2 VAL B 57 10.926 8.871 9.072 1.00 0.00 C ATOM 0 H VAL B 57 9.822 11.792 7.282 1.00 0.00 H new ATOM 0 HA VAL B 57 9.549 10.950 10.097 1.00 0.00 H new ATOM 0 HB VAL B 57 11.941 10.647 8.298 1.00 0.00 H new ATOM 0 HG11 VAL B 57 13.148 9.695 10.281 1.00 0.00 H new ATOM 0 HG12 VAL B 57 12.718 11.406 10.514 1.00 0.00 H new ATOM 0 HG13 VAL B 57 11.761 10.132 11.307 1.00 0.00 H new ATOM 0 HG21 VAL B 57 11.792 8.213 9.003 1.00 0.00 H new ATOM 0 HG22 VAL B 57 10.340 8.607 9.952 1.00 0.00 H new ATOM 0 HG23 VAL B 57 10.311 8.757 8.179 1.00 0.00 H new ATOM 1934 N ILE B 58 10.607 13.036 10.953 1.00 0.00 N ATOM 1935 CA ILE B 58 11.127 14.285 11.538 1.00 0.00 C ATOM 1936 C ILE B 58 12.144 13.914 12.624 1.00 0.00 C ATOM 1937 O ILE B 58 11.790 13.324 13.648 1.00 0.00 O ATOM 1938 CB ILE B 58 9.964 15.162 12.058 1.00 0.00 C ATOM 1939 CG1 ILE B 58 9.079 15.624 10.873 1.00 0.00 C ATOM 1940 CG2 ILE B 58 10.494 16.376 12.848 1.00 0.00 C ATOM 1941 CD1 ILE B 58 7.736 16.233 11.276 1.00 0.00 C ATOM 0 H ILE B 58 10.202 12.414 11.652 1.00 0.00 H new ATOM 0 HA ILE B 58 11.638 14.889 10.789 1.00 0.00 H new ATOM 0 HB ILE B 58 9.358 14.563 12.738 1.00 0.00 H new ATOM 0 HG12 ILE B 58 9.634 16.357 10.288 1.00 0.00 H new ATOM 0 HG13 ILE B 58 8.894 14.770 10.221 1.00 0.00 H new ATOM 0 HG21 ILE B 58 9.655 16.975 13.201 1.00 0.00 H new ATOM 0 HG22 ILE B 58 11.077 16.029 13.701 1.00 0.00 H new ATOM 0 HG23 ILE B 58 11.126 16.984 12.200 1.00 0.00 H new ATOM 0 HD11 ILE B 58 7.187 16.527 10.382 1.00 0.00 H new ATOM 0 HD12 ILE B 58 7.156 15.498 11.833 1.00 0.00 H new ATOM 0 HD13 ILE B 58 7.907 17.110 11.901 1.00 0.00 H new ATOM 1953 N SER B 59 13.419 14.239 12.396 1.00 0.00 N ATOM 1954 CA SER B 59 14.533 13.900 13.297 1.00 0.00 C ATOM 1955 C SER B 59 14.906 15.078 14.192 1.00 0.00 C ATOM 1956 O SER B 59 15.117 16.195 13.701 1.00 0.00 O ATOM 1957 CB SER B 59 15.746 13.434 12.482 1.00 0.00 C ATOM 1958 OG SER B 59 16.774 12.971 13.331 1.00 0.00 O ATOM 0 H SER B 59 13.715 14.754 11.567 1.00 0.00 H new ATOM 0 HA SER B 59 14.208 13.086 13.946 1.00 0.00 H new ATOM 0 HB2 SER B 59 15.447 12.639 11.799 1.00 0.00 H new ATOM 0 HB3 SER B 59 16.116 14.257 11.871 1.00 0.00 H new ATOM 0 HG SER B 59 17.537 12.677 12.791 1.00 0.00 H new ATOM 1964 N LEU B 60 14.991 14.835 15.501 1.00 0.00 N ATOM 1965 CA LEU B 60 15.360 15.832 16.506 1.00 0.00 C ATOM 1966 C LEU B 60 16.830 15.714 16.948 1.00 0.00 C ATOM 1967 O LEU B 60 17.419 14.626 16.942 1.00 0.00 O ATOM 1968 CB LEU B 60 14.403 15.752 17.711 1.00 0.00 C ATOM 1969 CG LEU B 60 12.904 15.867 17.375 1.00 0.00 C ATOM 1970 CD1 LEU B 60 12.099 15.873 18.672 1.00 0.00 C ATOM 1971 CD2 LEU B 60 12.558 17.147 16.615 1.00 0.00 C ATOM 0 H LEU B 60 14.800 13.916 15.901 1.00 0.00 H new ATOM 0 HA LEU B 60 15.261 16.814 16.043 1.00 0.00 H new ATOM 0 HB2 LEU B 60 14.571 14.805 18.224 1.00 0.00 H new ATOM 0 HB3 LEU B 60 14.662 16.545 18.412 1.00 0.00 H new ATOM 0 HG LEU B 60 12.660 15.015 16.741 1.00 0.00 H new ATOM 0 HD11 LEU B 60 11.037 15.954 18.441 1.00 0.00 H new ATOM 0 HD12 LEU B 60 12.282 14.947 19.218 1.00 0.00 H new ATOM 0 HD13 LEU B 60 12.403 16.722 19.285 1.00 0.00 H new ATOM 0 HD21 LEU B 60 11.488 17.169 16.408 1.00 0.00 H new ATOM 0 HD22 LEU B 60 12.829 18.013 17.219 1.00 0.00 H new ATOM 0 HD23 LEU B 60 13.110 17.173 15.676 1.00 0.00 H new ATOM 1983 N ILE B 61 17.411 16.844 17.361 1.00 0.00 N ATOM 1984 CA ILE B 61 18.798 16.987 17.850 1.00 0.00 C ATOM 1985 C ILE B 61 18.843 17.741 19.189 1.00 0.00 C ATOM 1986 O ILE B 61 17.908 18.466 19.539 1.00 0.00 O ATOM 1987 CB ILE B 61 19.700 17.657 16.783 1.00 0.00 C ATOM 1988 CG1 ILE B 61 19.313 19.126 16.471 1.00 0.00 C ATOM 1989 CG2 ILE B 61 19.736 16.825 15.490 1.00 0.00 C ATOM 1990 CD1 ILE B 61 20.260 20.141 17.122 1.00 0.00 C ATOM 0 H ILE B 61 16.908 17.731 17.366 1.00 0.00 H new ATOM 0 HA ILE B 61 19.194 15.988 18.030 1.00 0.00 H new ATOM 0 HB ILE B 61 20.698 17.689 17.219 1.00 0.00 H new ATOM 0 HG12 ILE B 61 19.314 19.276 15.391 1.00 0.00 H new ATOM 0 HG13 ILE B 61 18.296 19.310 16.818 1.00 0.00 H new ATOM 0 HG21 ILE B 61 20.376 17.318 14.758 1.00 0.00 H new ATOM 0 HG22 ILE B 61 20.130 15.832 15.707 1.00 0.00 H new ATOM 0 HG23 ILE B 61 18.727 16.735 15.087 1.00 0.00 H new ATOM 0 HD11 ILE B 61 19.940 21.152 16.869 1.00 0.00 H new ATOM 0 HD12 ILE B 61 20.240 20.015 18.204 1.00 0.00 H new ATOM 0 HD13 ILE B 61 21.274 19.979 16.756 1.00 0.00 H new ATOM 2002 N GLU B 62 19.918 17.550 19.951 1.00 0.00 N ATOM 2003 CA GLU B 62 20.115 18.160 21.271 1.00 0.00 C ATOM 2004 C GLU B 62 20.406 19.665 21.172 1.00 0.00 C ATOM 2005 O GLU B 62 21.388 20.083 20.553 1.00 0.00 O ATOM 2006 CB GLU B 62 21.259 17.452 22.016 1.00 0.00 C ATOM 2007 CG GLU B 62 20.957 15.979 22.333 1.00 0.00 C ATOM 2008 CD GLU B 62 22.132 15.268 23.043 1.00 0.00 C ATOM 2009 OE1 GLU B 62 22.761 15.859 23.959 1.00 0.00 O ATOM 2010 OE2 GLU B 62 22.429 14.094 22.706 1.00 0.00 O1- ATOM 0 H GLU B 62 20.695 16.955 19.665 1.00 0.00 H new ATOM 0 HA GLU B 62 19.186 18.039 21.828 1.00 0.00 H new ATOM 0 HB2 GLU B 62 22.166 17.508 21.414 1.00 0.00 H new ATOM 0 HB3 GLU B 62 21.461 17.983 22.946 1.00 0.00 H new ATOM 0 HG2 GLU B 62 20.069 15.922 22.963 1.00 0.00 H new ATOM 0 HG3 GLU B 62 20.725 15.453 21.407 1.00 0.00 H new