USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 550 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 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -1.63! K(o=-1.6!,f=-0.064) USER MOD Single : A 6 THR OG1 : rot 82:sc= 0.122 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 170:sc= -1.17 (180deg=-1.37) USER MOD Single : A 27 MET CE :methyl 166:sc= 0 (180deg=-0.288) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= -6.31! C(o=-6.3!,f=-12!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0.1 K(o=0.1,f=-0.82) USER MOD Single : A 48 SER OG : rot 180:sc= 0.0138 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -65:sc= 1.25 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -5.23! C(o=-5.2!,f=-5.5!) USER MOD ----------------------------------------------------------------- ATOM 34 N VAL A 3 53.758 -13.172 14.548 1.00 0.00 N ATOM 35 CA VAL A 3 54.631 -13.903 13.637 1.00 0.00 C ATOM 36 C VAL A 3 56.056 -13.362 13.710 1.00 0.00 C ATOM 37 O VAL A 3 56.305 -12.199 13.394 1.00 0.00 O ATOM 38 CB VAL A 3 54.110 -13.781 12.204 1.00 0.00 C ATOM 39 CG1 VAL A 3 55.056 -14.511 11.250 1.00 0.00 C ATOM 40 CG2 VAL A 3 52.715 -14.407 12.115 1.00 0.00 C ATOM 0 HA VAL A 3 54.637 -14.952 13.933 1.00 0.00 H new ATOM 0 HB VAL A 3 54.057 -12.728 11.926 1.00 0.00 H new ATOM 0 HG11 VAL A 3 54.683 -14.423 10.230 1.00 0.00 H new ATOM 0 HG12 VAL A 3 56.050 -14.067 11.313 1.00 0.00 H new ATOM 0 HG13 VAL A 3 55.111 -15.564 11.527 1.00 0.00 H new ATOM 0 HG21 VAL A 3 52.342 -14.321 11.094 1.00 0.00 H new ATOM 0 HG22 VAL A 3 52.770 -15.459 12.394 1.00 0.00 H new ATOM 0 HG23 VAL A 3 52.039 -13.887 12.793 1.00 0.00 H new ATOM 50 N LYS A 4 56.986 -14.215 14.130 1.00 0.00 N ATOM 51 CA LYS A 4 58.382 -13.809 14.241 1.00 0.00 C ATOM 52 C LYS A 4 59.276 -14.723 13.408 1.00 0.00 C ATOM 53 O LYS A 4 58.812 -15.712 12.841 1.00 0.00 O ATOM 54 CB LYS A 4 58.824 -13.857 15.705 1.00 0.00 C ATOM 55 CG LYS A 4 58.501 -15.233 16.292 1.00 0.00 C ATOM 56 CD LYS A 4 58.682 -15.195 17.811 1.00 0.00 C ATOM 57 CE LYS A 4 58.428 -16.588 18.391 1.00 0.00 C ATOM 58 NZ LYS A 4 58.666 -16.565 19.862 1.00 0.00 N ATOM 0 H LYS A 4 56.800 -15.182 14.396 1.00 0.00 H new ATOM 0 HA LYS A 4 58.475 -12.790 13.866 1.00 0.00 H new ATOM 0 HB2 LYS A 4 59.894 -13.660 15.779 1.00 0.00 H new ATOM 0 HB3 LYS A 4 58.316 -13.079 16.275 1.00 0.00 H new ATOM 0 HG2 LYS A 4 57.478 -15.515 16.044 1.00 0.00 H new ATOM 0 HG3 LYS A 4 59.154 -15.989 15.856 1.00 0.00 H new ATOM 0 HD2 LYS A 4 59.691 -14.865 18.059 1.00 0.00 H new ATOM 0 HD3 LYS A 4 57.993 -14.475 18.252 1.00 0.00 H new ATOM 0 HE2 LYS A 4 57.404 -16.899 18.182 1.00 0.00 H new ATOM 0 HE3 LYS A 4 59.086 -17.316 17.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 58.493 -17.512 20.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 59.650 -16.286 20.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 58.021 -15.882 20.307 1.00 0.00 H new ATOM 72 N GLN A 5 60.559 -14.384 13.339 1.00 0.00 N ATOM 73 CA GLN A 5 61.511 -15.181 12.573 1.00 0.00 C ATOM 74 C GLN A 5 62.941 -14.829 12.968 1.00 0.00 C ATOM 75 O GLN A 5 63.292 -13.655 13.086 1.00 0.00 O ATOM 76 CB GLN A 5 61.316 -14.930 11.076 1.00 0.00 C ATOM 77 CG GLN A 5 60.060 -15.661 10.596 1.00 0.00 C ATOM 78 CD GLN A 5 59.997 -15.641 9.073 1.00 0.00 C ATOM 79 OE1 GLN A 5 60.807 -16.287 8.407 1.00 0.00 O ATOM 80 NE2 GLN A 5 59.076 -14.933 8.476 1.00 0.00 N ATOM 0 H GLN A 5 60.962 -13.569 13.801 1.00 0.00 H new ATOM 0 HA GLN A 5 61.334 -16.234 12.790 1.00 0.00 H new ATOM 0 HB2 GLN A 5 61.223 -13.861 10.885 1.00 0.00 H new ATOM 0 HB3 GLN A 5 62.187 -15.279 10.521 1.00 0.00 H new ATOM 0 HG2 GLN A 5 60.069 -16.690 10.955 1.00 0.00 H new ATOM 0 HG3 GLN A 5 59.171 -15.186 11.012 1.00 0.00 H new ATOM 0 HE21 GLN A 5 58.406 -14.398 9.028 1.00 0.00 H new ATOM 0 HE22 GLN A 5 59.027 -14.915 7.457 1.00 0.00 H new ATOM 89 N THR A 6 63.763 -15.854 13.171 1.00 0.00 N ATOM 90 CA THR A 6 65.154 -15.640 13.553 1.00 0.00 C ATOM 91 C THR A 6 65.990 -15.245 12.340 1.00 0.00 C ATOM 92 O THR A 6 66.021 -15.957 11.337 1.00 0.00 O ATOM 93 CB THR A 6 65.727 -16.917 14.175 1.00 0.00 C ATOM 94 OG1 THR A 6 64.708 -17.905 14.244 1.00 0.00 O ATOM 95 CG2 THR A 6 66.242 -16.614 15.583 1.00 0.00 C ATOM 0 H THR A 6 63.493 -16.833 13.078 1.00 0.00 H new ATOM 0 HA THR A 6 65.189 -14.831 14.283 1.00 0.00 H new ATOM 0 HB THR A 6 66.550 -17.284 13.561 1.00 0.00 H new ATOM 0 HG1 THR A 6 64.623 -18.349 13.374 1.00 0.00 H new ATOM 0 HG21 THR A 6 66.650 -17.523 16.025 1.00 0.00 H new ATOM 0 HG22 THR A 6 67.023 -15.855 15.529 1.00 0.00 H new ATOM 0 HG23 THR A 6 65.421 -16.247 16.200 1.00 0.00 H new ATOM 103 N VAL A 7 66.668 -14.107 12.442 1.00 0.00 N ATOM 104 CA VAL A 7 67.503 -13.625 11.346 1.00 0.00 C ATOM 105 C VAL A 7 68.928 -13.374 11.830 1.00 0.00 C ATOM 106 O VAL A 7 69.140 -12.755 12.872 1.00 0.00 O ATOM 107 CB VAL A 7 66.921 -12.332 10.774 1.00 0.00 C ATOM 108 CG1 VAL A 7 67.861 -11.779 9.701 1.00 0.00 C ATOM 109 CG2 VAL A 7 65.553 -12.620 10.153 1.00 0.00 C ATOM 0 H VAL A 7 66.657 -13.505 13.265 1.00 0.00 H new ATOM 0 HA VAL A 7 67.524 -14.388 10.568 1.00 0.00 H new ATOM 0 HB VAL A 7 66.811 -11.599 11.573 1.00 0.00 H new ATOM 0 HG11 VAL A 7 67.446 -10.857 9.293 1.00 0.00 H new ATOM 0 HG12 VAL A 7 68.836 -11.574 10.142 1.00 0.00 H new ATOM 0 HG13 VAL A 7 67.972 -12.512 8.902 1.00 0.00 H new ATOM 0 HG21 VAL A 7 65.137 -11.699 9.745 1.00 0.00 H new ATOM 0 HG22 VAL A 7 65.663 -13.353 9.354 1.00 0.00 H new ATOM 0 HG23 VAL A 7 64.882 -13.014 10.917 1.00 0.00 H new ATOM 119 N GLU A 8 69.901 -13.859 11.066 1.00 0.00 N ATOM 120 CA GLU A 8 71.303 -13.682 11.428 1.00 0.00 C ATOM 121 C GLU A 8 71.840 -12.370 10.864 1.00 0.00 C ATOM 122 O GLU A 8 71.709 -12.096 9.671 1.00 0.00 O ATOM 123 CB GLU A 8 72.133 -14.849 10.891 1.00 0.00 C ATOM 124 CG GLU A 8 71.580 -16.165 11.440 1.00 0.00 C ATOM 125 CD GLU A 8 70.481 -16.691 10.525 1.00 0.00 C ATOM 126 OE1 GLU A 8 69.995 -15.921 9.712 1.00 0.00 O ATOM 127 OE2 GLU A 8 70.140 -17.856 10.649 1.00 0.00 O ATOM 0 H GLU A 8 69.747 -14.374 10.199 1.00 0.00 H new ATOM 0 HA GLU A 8 71.378 -13.655 12.515 1.00 0.00 H new ATOM 0 HB2 GLU A 8 72.106 -14.857 9.801 1.00 0.00 H new ATOM 0 HB3 GLU A 8 73.177 -14.731 11.183 1.00 0.00 H new ATOM 0 HG2 GLU A 8 72.381 -16.900 11.520 1.00 0.00 H new ATOM 0 HG3 GLU A 8 71.186 -16.012 12.445 1.00 0.00 H new ATOM 134 N ILE A 9 72.446 -11.564 11.731 1.00 0.00 N ATOM 135 CA ILE A 9 73.000 -10.282 11.308 1.00 0.00 C ATOM 136 C ILE A 9 74.381 -10.474 10.688 1.00 0.00 C ATOM 137 O ILE A 9 75.273 -11.056 11.305 1.00 0.00 O ATOM 138 CB ILE A 9 73.103 -9.337 12.505 1.00 0.00 C ATOM 139 CG1 ILE A 9 71.711 -8.810 12.858 1.00 0.00 C ATOM 140 CG2 ILE A 9 74.018 -8.164 12.153 1.00 0.00 C ATOM 141 CD1 ILE A 9 71.804 -7.909 14.092 1.00 0.00 C ATOM 0 H ILE A 9 72.565 -11.773 12.722 1.00 0.00 H new ATOM 0 HA ILE A 9 72.335 -9.849 10.560 1.00 0.00 H new ATOM 0 HB ILE A 9 73.516 -9.875 13.358 1.00 0.00 H new ATOM 0 HG12 ILE A 9 71.298 -8.252 12.018 1.00 0.00 H new ATOM 0 HG13 ILE A 9 71.034 -9.642 13.052 1.00 0.00 H new ATOM 0 HG21 ILE A 9 74.091 -7.491 13.007 1.00 0.00 H new ATOM 0 HG22 ILE A 9 75.010 -8.539 11.901 1.00 0.00 H new ATOM 0 HG23 ILE A 9 73.606 -7.625 11.300 1.00 0.00 H new ATOM 0 HD11 ILE A 9 70.812 -7.533 14.344 1.00 0.00 H new ATOM 0 HD12 ILE A 9 72.199 -8.481 14.931 1.00 0.00 H new ATOM 0 HD13 ILE A 9 72.467 -7.070 13.881 1.00 0.00 H new ATOM 297 N PRO A 19 66.906 0.263 6.377 1.00 0.00 N ATOM 298 CA PRO A 19 65.951 -0.765 6.880 1.00 0.00 C ATOM 299 C PRO A 19 65.303 -0.351 8.198 1.00 0.00 C ATOM 300 O PRO A 19 64.078 -0.341 8.323 1.00 0.00 O ATOM 301 CB PRO A 19 66.823 -2.008 7.067 1.00 0.00 C ATOM 302 CG PRO A 19 67.971 -1.834 6.129 1.00 0.00 C ATOM 303 CD PRO A 19 68.189 -0.328 5.971 1.00 0.00 C ATOM 0 HA PRO A 19 65.119 -0.922 6.194 1.00 0.00 H new ATOM 0 HB2 PRO A 19 67.168 -2.094 8.097 1.00 0.00 H new ATOM 0 HB3 PRO A 19 66.265 -2.917 6.840 1.00 0.00 H new ATOM 0 HG2 PRO A 19 68.867 -2.315 6.521 1.00 0.00 H new ATOM 0 HG3 PRO A 19 67.757 -2.297 5.166 1.00 0.00 H new ATOM 0 HD2 PRO A 19 69.007 0.025 6.599 1.00 0.00 H new ATOM 0 HD3 PRO A 19 68.441 -0.067 4.943 1.00 0.00 H new ATOM 311 N ALA A 20 66.133 -0.006 9.177 1.00 0.00 N ATOM 312 CA ALA A 20 65.630 0.410 10.481 1.00 0.00 C ATOM 313 C ALA A 20 64.838 1.708 10.358 1.00 0.00 C ATOM 314 O ALA A 20 63.786 1.866 10.977 1.00 0.00 O ATOM 315 CB ALA A 20 66.796 0.611 11.451 1.00 0.00 C ATOM 0 H ALA A 20 67.150 -0.006 9.093 1.00 0.00 H new ATOM 0 HA ALA A 20 64.972 -0.370 10.863 1.00 0.00 H new ATOM 0 HB1 ALA A 20 66.412 0.922 12.423 1.00 0.00 H new ATOM 0 HB2 ALA A 20 67.344 -0.325 11.560 1.00 0.00 H new ATOM 0 HB3 ALA A 20 67.464 1.380 11.063 1.00 0.00 H new ATOM 321 N MET A 21 65.351 2.633 9.553 1.00 0.00 N ATOM 322 CA MET A 21 64.682 3.914 9.355 1.00 0.00 C ATOM 323 C MET A 21 63.409 3.730 8.534 1.00 0.00 C ATOM 324 O MET A 21 62.347 4.236 8.897 1.00 0.00 O ATOM 325 CB MET A 21 65.619 4.887 8.636 1.00 0.00 C ATOM 326 CG MET A 21 66.540 5.557 9.656 1.00 0.00 C ATOM 327 SD MET A 21 65.546 6.483 10.851 1.00 0.00 S ATOM 328 CE MET A 21 66.818 6.646 12.127 1.00 0.00 C ATOM 0 H MET A 21 66.220 2.521 9.031 1.00 0.00 H new ATOM 0 HA MET A 21 64.417 4.320 10.331 1.00 0.00 H new ATOM 0 HB2 MET A 21 66.210 4.355 7.891 1.00 0.00 H new ATOM 0 HB3 MET A 21 65.039 5.641 8.104 1.00 0.00 H new ATOM 0 HG2 MET A 21 67.139 4.805 10.170 1.00 0.00 H new ATOM 0 HG3 MET A 21 67.235 6.226 9.149 1.00 0.00 H new ATOM 0 HE1 MET A 21 66.413 7.197 12.976 1.00 0.00 H new ATOM 0 HE2 MET A 21 67.134 5.656 12.455 1.00 0.00 H new ATOM 0 HE3 MET A 21 67.674 7.184 11.720 1.00 0.00 H new ATOM 338 N LYS A 22 63.525 3.002 7.428 1.00 0.00 N ATOM 339 CA LYS A 22 62.377 2.758 6.563 1.00 0.00 C ATOM 340 C LYS A 22 61.289 2.004 7.319 1.00 0.00 C ATOM 341 O LYS A 22 60.098 2.216 7.088 1.00 0.00 O ATOM 342 CB LYS A 22 62.809 1.944 5.341 1.00 0.00 C ATOM 343 CG LYS A 22 61.862 2.233 4.174 1.00 0.00 C ATOM 344 CD LYS A 22 62.244 1.360 2.978 1.00 0.00 C ATOM 345 CE LYS A 22 61.490 1.835 1.735 1.00 0.00 C ATOM 346 NZ LYS A 22 60.024 1.700 1.962 1.00 0.00 N ATOM 0 H LYS A 22 64.395 2.574 7.112 1.00 0.00 H new ATOM 0 HA LYS A 22 61.979 3.719 6.238 1.00 0.00 H new ATOM 0 HB2 LYS A 22 63.832 2.199 5.064 1.00 0.00 H new ATOM 0 HB3 LYS A 22 62.798 0.880 5.577 1.00 0.00 H new ATOM 0 HG2 LYS A 22 60.832 2.033 4.470 1.00 0.00 H new ATOM 0 HG3 LYS A 22 61.916 3.287 3.900 1.00 0.00 H new ATOM 0 HD2 LYS A 22 63.319 1.412 2.806 1.00 0.00 H new ATOM 0 HD3 LYS A 22 62.004 0.317 3.185 1.00 0.00 H new ATOM 0 HE2 LYS A 22 61.741 2.873 1.519 1.00 0.00 H new ATOM 0 HE3 LYS A 22 61.790 1.247 0.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 59.509 2.175 1.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 59.767 0.692 1.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 59.772 2.138 2.871 1.00 0.00 H new ATOM 360 N LEU A 23 61.704 1.124 8.224 1.00 0.00 N ATOM 361 CA LEU A 23 60.755 0.344 9.010 1.00 0.00 C ATOM 362 C LEU A 23 59.655 1.243 9.565 1.00 0.00 C ATOM 363 O LEU A 23 58.471 0.911 9.491 1.00 0.00 O ATOM 364 CB LEU A 23 61.478 -0.352 10.164 1.00 0.00 C ATOM 365 CG LEU A 23 61.353 -1.868 10.003 1.00 0.00 C ATOM 366 CD1 LEU A 23 62.166 -2.566 11.096 1.00 0.00 C ATOM 367 CD2 LEU A 23 59.882 -2.274 10.125 1.00 0.00 C ATOM 0 H LEU A 23 62.685 0.934 8.431 1.00 0.00 H new ATOM 0 HA LEU A 23 60.304 -0.406 8.360 1.00 0.00 H new ATOM 0 HB2 LEU A 23 62.529 -0.062 10.177 1.00 0.00 H new ATOM 0 HB3 LEU A 23 61.050 -0.040 11.117 1.00 0.00 H new ATOM 0 HG LEU A 23 61.732 -2.162 9.024 1.00 0.00 H new ATOM 0 HD11 LEU A 23 62.077 -3.646 10.982 1.00 0.00 H new ATOM 0 HD12 LEU A 23 63.214 -2.277 11.011 1.00 0.00 H new ATOM 0 HD13 LEU A 23 61.787 -2.272 12.075 1.00 0.00 H new ATOM 0 HD21 LEU A 23 59.792 -3.354 10.010 1.00 0.00 H new ATOM 0 HD22 LEU A 23 59.503 -1.980 11.104 1.00 0.00 H new ATOM 0 HD23 LEU A 23 59.302 -1.777 9.348 1.00 0.00 H new ATOM 379 N PHE A 24 60.053 2.384 10.120 1.00 0.00 N ATOM 380 CA PHE A 24 59.089 3.323 10.683 1.00 0.00 C ATOM 381 C PHE A 24 58.064 3.730 9.631 1.00 0.00 C ATOM 382 O PHE A 24 56.876 3.861 9.926 1.00 0.00 O ATOM 383 CB PHE A 24 59.814 4.566 11.201 1.00 0.00 C ATOM 384 CG PHE A 24 60.296 4.316 12.611 1.00 0.00 C ATOM 385 CD1 PHE A 24 61.570 3.778 12.831 1.00 0.00 C ATOM 386 CD2 PHE A 24 59.468 4.621 13.698 1.00 0.00 C ATOM 387 CE1 PHE A 24 62.016 3.546 14.137 1.00 0.00 C ATOM 388 CE2 PHE A 24 59.914 4.388 15.004 1.00 0.00 C ATOM 389 CZ PHE A 24 61.187 3.851 15.225 1.00 0.00 C ATOM 0 H PHE A 24 61.027 2.679 10.192 1.00 0.00 H new ATOM 0 HA PHE A 24 58.571 2.835 11.509 1.00 0.00 H new ATOM 0 HB2 PHE A 24 60.658 4.804 10.554 1.00 0.00 H new ATOM 0 HB3 PHE A 24 59.144 5.426 11.181 1.00 0.00 H new ATOM 0 HD1 PHE A 24 62.209 3.542 11.993 1.00 0.00 H new ATOM 0 HD2 PHE A 24 58.485 5.036 13.529 1.00 0.00 H new ATOM 0 HE1 PHE A 24 62.999 3.132 14.306 1.00 0.00 H new ATOM 0 HE2 PHE A 24 59.275 4.623 15.842 1.00 0.00 H new ATOM 0 HZ PHE A 24 61.530 3.672 16.233 1.00 0.00 H new ATOM 399 N GLU A 25 58.530 3.927 8.401 1.00 0.00 N ATOM 400 CA GLU A 25 57.643 4.317 7.312 1.00 0.00 C ATOM 401 C GLU A 25 56.724 3.160 6.934 1.00 0.00 C ATOM 402 O GLU A 25 55.552 3.362 6.619 1.00 0.00 O ATOM 403 CB GLU A 25 58.465 4.739 6.093 1.00 0.00 C ATOM 404 CG GLU A 25 59.135 6.086 6.370 1.00 0.00 C ATOM 405 CD GLU A 25 58.096 7.202 6.335 1.00 0.00 C ATOM 406 OE1 GLU A 25 57.838 7.711 5.256 1.00 0.00 O ATOM 407 OE2 GLU A 25 57.573 7.531 7.387 1.00 0.00 O ATOM 0 H GLU A 25 59.509 3.824 8.136 1.00 0.00 H new ATOM 0 HA GLU A 25 57.034 5.157 7.645 1.00 0.00 H new ATOM 0 HB2 GLU A 25 59.220 3.984 5.871 1.00 0.00 H new ATOM 0 HB3 GLU A 25 57.822 4.814 5.216 1.00 0.00 H new ATOM 0 HG2 GLU A 25 59.625 6.064 7.343 1.00 0.00 H new ATOM 0 HG3 GLU A 25 59.910 6.276 5.627 1.00 0.00 H new ATOM 414 N LEU A 26 57.266 1.947 6.967 1.00 0.00 N ATOM 415 CA LEU A 26 56.485 0.763 6.627 1.00 0.00 C ATOM 416 C LEU A 26 55.357 0.560 7.634 1.00 0.00 C ATOM 417 O LEU A 26 54.225 0.255 7.259 1.00 0.00 O ATOM 418 CB LEU A 26 57.388 -0.473 6.616 1.00 0.00 C ATOM 419 CG LEU A 26 57.839 -0.762 5.183 1.00 0.00 C ATOM 420 CD1 LEU A 26 58.854 0.294 4.744 1.00 0.00 C ATOM 421 CD2 LEU A 26 58.488 -2.147 5.125 1.00 0.00 C ATOM 0 H LEU A 26 58.235 1.758 7.224 1.00 0.00 H new ATOM 0 HA LEU A 26 56.053 0.907 5.636 1.00 0.00 H new ATOM 0 HB2 LEU A 26 58.255 -0.309 7.255 1.00 0.00 H new ATOM 0 HB3 LEU A 26 56.852 -1.332 7.020 1.00 0.00 H new ATOM 0 HG LEU A 26 56.976 -0.734 4.517 1.00 0.00 H new ATOM 0 HD11 LEU A 26 59.175 0.088 3.723 1.00 0.00 H new ATOM 0 HD12 LEU A 26 58.394 1.281 4.787 1.00 0.00 H new ATOM 0 HD13 LEU A 26 59.718 0.267 5.408 1.00 0.00 H new ATOM 0 HD21 LEU A 26 58.810 -2.355 4.105 1.00 0.00 H new ATOM 0 HD22 LEU A 26 59.351 -2.173 5.790 1.00 0.00 H new ATOM 0 HD23 LEU A 26 57.766 -2.901 5.438 1.00 0.00 H new ATOM 433 N MET A 27 55.673 0.734 8.913 1.00 0.00 N ATOM 434 CA MET A 27 54.677 0.570 9.965 1.00 0.00 C ATOM 435 C MET A 27 53.491 1.497 9.726 1.00 0.00 C ATOM 436 O MET A 27 52.345 1.139 10.002 1.00 0.00 O ATOM 437 CB MET A 27 55.302 0.877 11.327 1.00 0.00 C ATOM 438 CG MET A 27 56.295 -0.227 11.695 1.00 0.00 C ATOM 439 SD MET A 27 57.377 0.353 13.025 1.00 0.00 S ATOM 440 CE MET A 27 56.144 0.324 14.350 1.00 0.00 C ATOM 0 H MET A 27 56.604 0.987 9.244 1.00 0.00 H new ATOM 0 HA MET A 27 54.326 -0.462 9.952 1.00 0.00 H new ATOM 0 HB2 MET A 27 55.809 1.841 11.297 1.00 0.00 H new ATOM 0 HB3 MET A 27 54.524 0.949 12.087 1.00 0.00 H new ATOM 0 HG2 MET A 27 55.759 -1.122 12.012 1.00 0.00 H new ATOM 0 HG3 MET A 27 56.888 -0.503 10.823 1.00 0.00 H new ATOM 0 HE1 MET A 27 56.645 0.407 15.315 1.00 0.00 H new ATOM 0 HE2 MET A 27 55.456 1.160 14.225 1.00 0.00 H new ATOM 0 HE3 MET A 27 55.588 -0.613 14.309 1.00 0.00 H new ATOM 450 N GLN A 28 53.773 2.689 9.209 1.00 0.00 N ATOM 451 CA GLN A 28 52.719 3.660 8.936 1.00 0.00 C ATOM 452 C GLN A 28 51.785 3.142 7.848 1.00 0.00 C ATOM 453 O GLN A 28 50.566 3.295 7.938 1.00 0.00 O ATOM 454 CB GLN A 28 53.336 4.988 8.492 1.00 0.00 C ATOM 455 CG GLN A 28 52.283 6.093 8.577 1.00 0.00 C ATOM 456 CD GLN A 28 52.887 7.423 8.137 1.00 0.00 C ATOM 457 OE1 GLN A 28 53.165 7.618 6.954 1.00 0.00 O ATOM 458 NE2 GLN A 28 53.107 8.355 9.023 1.00 0.00 N ATOM 0 H GLN A 28 54.714 3.004 8.972 1.00 0.00 H new ATOM 0 HA GLN A 28 52.145 3.814 9.850 1.00 0.00 H new ATOM 0 HB2 GLN A 28 54.189 5.234 9.124 1.00 0.00 H new ATOM 0 HB3 GLN A 28 53.709 4.905 7.471 1.00 0.00 H new ATOM 0 HG2 GLN A 28 51.431 5.844 7.945 1.00 0.00 H new ATOM 0 HG3 GLN A 28 51.910 6.174 9.598 1.00 0.00 H new ATOM 0 HE21 GLN A 28 52.876 8.192 10.003 1.00 0.00 H new ATOM 0 HE22 GLN A 28 53.510 9.247 8.736 1.00 0.00 H new ATOM 467 N GLY A 29 52.362 2.527 6.822 1.00 0.00 N ATOM 468 CA GLY A 29 51.571 1.989 5.722 1.00 0.00 C ATOM 469 C GLY A 29 51.214 0.527 5.974 1.00 0.00 C ATOM 470 O GLY A 29 50.283 -0.006 5.371 1.00 0.00 O ATOM 0 H GLY A 29 53.368 2.389 6.729 1.00 0.00 H new ATOM 0 HA2 GLY A 29 50.660 2.575 5.603 1.00 0.00 H new ATOM 0 HA3 GLY A 29 52.130 2.076 4.790 1.00 0.00 H new ATOM 474 N PHE A 30 51.960 -0.113 6.869 1.00 0.00 N ATOM 475 CA PHE A 30 51.713 -1.513 7.194 1.00 0.00 C ATOM 476 C PHE A 30 50.940 -1.630 8.504 1.00 0.00 C ATOM 477 O PHE A 30 51.381 -1.139 9.542 1.00 0.00 O ATOM 478 CB PHE A 30 53.040 -2.264 7.314 1.00 0.00 C ATOM 479 CG PHE A 30 53.578 -2.558 5.934 1.00 0.00 C ATOM 480 CD1 PHE A 30 53.927 -1.506 5.079 1.00 0.00 C ATOM 481 CD2 PHE A 30 53.728 -3.884 5.511 1.00 0.00 C ATOM 482 CE1 PHE A 30 54.426 -1.780 3.801 1.00 0.00 C ATOM 483 CE2 PHE A 30 54.228 -4.158 4.231 1.00 0.00 C ATOM 484 CZ PHE A 30 54.576 -3.106 3.377 1.00 0.00 C ATOM 0 H PHE A 30 52.735 0.312 7.379 1.00 0.00 H new ATOM 0 HA PHE A 30 51.119 -1.953 6.393 1.00 0.00 H new ATOM 0 HB2 PHE A 30 53.758 -1.668 7.877 1.00 0.00 H new ATOM 0 HB3 PHE A 30 52.896 -3.193 7.865 1.00 0.00 H new ATOM 0 HD1 PHE A 30 53.811 -0.483 5.406 1.00 0.00 H new ATOM 0 HD2 PHE A 30 53.458 -4.695 6.171 1.00 0.00 H new ATOM 0 HE1 PHE A 30 54.696 -0.969 3.141 1.00 0.00 H new ATOM 0 HE2 PHE A 30 54.345 -5.181 3.904 1.00 0.00 H new ATOM 0 HZ PHE A 30 54.961 -3.317 2.390 1.00 0.00 H new ATOM 494 N ASP A 31 49.784 -2.282 8.446 1.00 0.00 N ATOM 495 CA ASP A 31 48.957 -2.457 9.634 1.00 0.00 C ATOM 496 C ASP A 31 49.495 -3.592 10.500 1.00 0.00 C ATOM 497 O ASP A 31 49.185 -4.761 10.270 1.00 0.00 O ATOM 498 CB ASP A 31 47.515 -2.763 9.227 1.00 0.00 C ATOM 499 CG ASP A 31 46.992 -1.670 8.302 1.00 0.00 C ATOM 500 OD1 ASP A 31 46.511 -0.670 8.810 1.00 0.00 O ATOM 501 OD2 ASP A 31 47.079 -1.848 7.098 1.00 0.00 O ATOM 0 H ASP A 31 49.401 -2.695 7.596 1.00 0.00 H new ATOM 0 HA ASP A 31 48.983 -1.532 10.210 1.00 0.00 H new ATOM 0 HB2 ASP A 31 47.467 -3.729 8.725 1.00 0.00 H new ATOM 0 HB3 ASP A 31 46.885 -2.833 10.114 1.00 0.00 H new ATOM 506 N ALA A 32 50.302 -3.240 11.495 1.00 0.00 N ATOM 507 CA ALA A 32 50.878 -4.237 12.389 1.00 0.00 C ATOM 508 C ALA A 32 52.050 -3.648 13.166 1.00 0.00 C ATOM 509 O ALA A 32 52.700 -2.707 12.711 1.00 0.00 O ATOM 510 CB ALA A 32 51.355 -5.448 11.584 1.00 0.00 C ATOM 0 H ALA A 32 50.571 -2.278 11.702 1.00 0.00 H new ATOM 0 HA ALA A 32 50.109 -4.550 13.095 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.784 -6.188 12.260 1.00 0.00 H new ATOM 0 HB2 ALA A 32 50.511 -5.888 11.053 1.00 0.00 H new ATOM 0 HB3 ALA A 32 52.111 -5.132 10.865 1.00 0.00 H new ATOM 516 N GLU A 33 52.316 -4.208 14.342 1.00 0.00 N ATOM 517 CA GLU A 33 53.413 -3.730 15.175 1.00 0.00 C ATOM 518 C GLU A 33 54.624 -4.647 15.046 1.00 0.00 C ATOM 519 O GLU A 33 54.511 -5.865 15.187 1.00 0.00 O ATOM 520 CB GLU A 33 52.969 -3.669 16.638 1.00 0.00 C ATOM 521 CG GLU A 33 54.046 -2.970 17.470 1.00 0.00 C ATOM 522 CD GLU A 33 53.561 -2.791 18.905 1.00 0.00 C ATOM 523 OE1 GLU A 33 52.437 -3.176 19.182 1.00 0.00 O ATOM 524 OE2 GLU A 33 54.320 -2.270 19.705 1.00 0.00 O ATOM 0 H GLU A 33 51.791 -4.988 14.737 1.00 0.00 H new ATOM 0 HA GLU A 33 53.692 -2.732 14.838 1.00 0.00 H new ATOM 0 HB2 GLU A 33 52.025 -3.131 16.720 1.00 0.00 H new ATOM 0 HB3 GLU A 33 52.796 -4.676 17.019 1.00 0.00 H new ATOM 0 HG2 GLU A 33 54.964 -3.557 17.458 1.00 0.00 H new ATOM 0 HG3 GLU A 33 54.282 -2.000 17.033 1.00 0.00 H new ATOM 531 N VAL A 34 55.784 -4.054 14.777 1.00 0.00 N ATOM 532 CA VAL A 34 57.011 -4.829 14.630 1.00 0.00 C ATOM 533 C VAL A 34 57.929 -4.609 15.828 1.00 0.00 C ATOM 534 O VAL A 34 58.025 -3.500 16.353 1.00 0.00 O ATOM 535 CB VAL A 34 57.735 -4.421 13.347 1.00 0.00 C ATOM 536 CG1 VAL A 34 56.862 -4.760 12.138 1.00 0.00 C ATOM 537 CG2 VAL A 34 58.008 -2.916 13.373 1.00 0.00 C ATOM 0 H VAL A 34 55.899 -3.048 14.657 1.00 0.00 H new ATOM 0 HA VAL A 34 56.748 -5.886 14.577 1.00 0.00 H new ATOM 0 HB VAL A 34 58.679 -4.961 13.275 1.00 0.00 H new ATOM 0 HG11 VAL A 34 57.378 -4.469 11.223 1.00 0.00 H new ATOM 0 HG12 VAL A 34 56.667 -5.832 12.119 1.00 0.00 H new ATOM 0 HG13 VAL A 34 55.917 -4.221 12.209 1.00 0.00 H new ATOM 0 HG21 VAL A 34 58.524 -2.624 12.459 1.00 0.00 H new ATOM 0 HG22 VAL A 34 57.064 -2.376 13.445 1.00 0.00 H new ATOM 0 HG23 VAL A 34 58.631 -2.674 14.234 1.00 0.00 H new ATOM 547 N LEU A 35 58.602 -5.673 16.255 1.00 0.00 N ATOM 548 CA LEU A 35 59.512 -5.583 17.391 1.00 0.00 C ATOM 549 C LEU A 35 60.768 -6.409 17.139 1.00 0.00 C ATOM 550 O LEU A 35 60.697 -7.523 16.619 1.00 0.00 O ATOM 551 CB LEU A 35 58.815 -6.084 18.658 1.00 0.00 C ATOM 552 CG LEU A 35 59.851 -6.290 19.764 1.00 0.00 C ATOM 553 CD1 LEU A 35 59.291 -5.777 21.092 1.00 0.00 C ATOM 554 CD2 LEU A 35 60.173 -7.780 19.888 1.00 0.00 C ATOM 0 H LEU A 35 58.535 -6.600 15.835 1.00 0.00 H new ATOM 0 HA LEU A 35 59.798 -4.539 17.521 1.00 0.00 H new ATOM 0 HB2 LEU A 35 58.062 -5.365 18.980 1.00 0.00 H new ATOM 0 HB3 LEU A 35 58.295 -7.020 18.454 1.00 0.00 H new ATOM 0 HG LEU A 35 60.759 -5.740 19.518 1.00 0.00 H new ATOM 0 HD11 LEU A 35 60.030 -5.924 21.880 1.00 0.00 H new ATOM 0 HD12 LEU A 35 59.061 -4.715 21.004 1.00 0.00 H new ATOM 0 HD13 LEU A 35 58.382 -6.326 21.340 1.00 0.00 H new ATOM 0 HD21 LEU A 35 60.911 -7.928 20.676 1.00 0.00 H new ATOM 0 HD22 LEU A 35 59.264 -8.329 20.134 1.00 0.00 H new ATOM 0 HD23 LEU A 35 60.573 -8.146 18.942 1.00 0.00 H new ATOM 566 N LEU A 36 61.918 -5.857 17.511 1.00 0.00 N ATOM 567 CA LEU A 36 63.186 -6.553 17.321 1.00 0.00 C ATOM 568 C LEU A 36 63.758 -7.001 18.661 1.00 0.00 C ATOM 569 O LEU A 36 63.534 -6.360 19.689 1.00 0.00 O ATOM 570 CB LEU A 36 64.186 -5.631 16.619 1.00 0.00 C ATOM 571 CG LEU A 36 63.521 -4.986 15.403 1.00 0.00 C ATOM 572 CD1 LEU A 36 63.254 -3.507 15.691 1.00 0.00 C ATOM 573 CD2 LEU A 36 64.447 -5.109 14.190 1.00 0.00 C ATOM 0 H LEU A 36 61.999 -4.936 17.943 1.00 0.00 H new ATOM 0 HA LEU A 36 63.007 -7.433 16.704 1.00 0.00 H new ATOM 0 HB2 LEU A 36 64.532 -4.861 17.308 1.00 0.00 H new ATOM 0 HB3 LEU A 36 65.063 -6.198 16.308 1.00 0.00 H new ATOM 0 HG LEU A 36 62.578 -5.492 15.195 1.00 0.00 H new ATOM 0 HD11 LEU A 36 62.780 -3.047 14.824 1.00 0.00 H new ATOM 0 HD12 LEU A 36 62.595 -3.418 16.555 1.00 0.00 H new ATOM 0 HD13 LEU A 36 64.197 -3.001 15.900 1.00 0.00 H new ATOM 0 HD21 LEU A 36 63.973 -4.649 13.323 1.00 0.00 H new ATOM 0 HD22 LEU A 36 65.390 -4.603 14.399 1.00 0.00 H new ATOM 0 HD23 LEU A 36 64.638 -6.162 13.983 1.00 0.00 H new ATOM 585 N ARG A 37 64.498 -8.105 18.645 1.00 0.00 N ATOM 586 CA ARG A 37 65.097 -8.631 19.865 1.00 0.00 C ATOM 587 C ARG A 37 66.412 -9.337 19.556 1.00 0.00 C ATOM 588 O ARG A 37 66.505 -10.104 18.596 1.00 0.00 O ATOM 589 CB ARG A 37 64.135 -9.611 20.539 1.00 0.00 C ATOM 590 CG ARG A 37 64.930 -10.605 21.388 1.00 0.00 C ATOM 591 CD ARG A 37 63.995 -11.287 22.387 1.00 0.00 C ATOM 592 NE ARG A 37 63.613 -10.354 23.441 1.00 0.00 N ATOM 593 CZ ARG A 37 62.816 -10.729 24.436 1.00 0.00 C ATOM 594 NH1 ARG A 37 62.490 -9.875 25.367 1.00 0.00 N ATOM 595 NH2 ARG A 37 62.360 -11.950 24.482 1.00 0.00 N ATOM 0 H ARG A 37 64.696 -8.650 17.806 1.00 0.00 H new ATOM 0 HA ARG A 37 65.296 -7.797 20.538 1.00 0.00 H new ATOM 0 HB2 ARG A 37 63.426 -9.069 21.164 1.00 0.00 H new ATOM 0 HB3 ARG A 37 63.554 -10.143 19.786 1.00 0.00 H new ATOM 0 HG2 ARG A 37 65.401 -11.351 20.748 1.00 0.00 H new ATOM 0 HG3 ARG A 37 65.730 -10.088 21.918 1.00 0.00 H new ATOM 0 HD2 ARG A 37 63.105 -11.650 21.873 1.00 0.00 H new ATOM 0 HD3 ARG A 37 64.488 -12.156 22.822 1.00 0.00 H new ATOM 0 HE ARG A 37 63.964 -9.397 23.414 1.00 0.00 H new ATOM 0 HH11 ARG A 37 62.847 -8.920 25.331 1.00 0.00 H new ATOM 0 HH12 ARG A 37 61.878 -10.162 26.131 1.00 0.00 H new ATOM 0 HH21 ARG A 37 62.615 -12.617 23.754 1.00 0.00 H new ATOM 0 HH22 ARG A 37 61.748 -12.238 25.246 1.00 0.00 H new ATOM 609 N ASN A 38 67.427 -9.074 20.373 1.00 0.00 N ATOM 610 CA ASN A 38 68.734 -9.691 20.176 1.00 0.00 C ATOM 611 C ASN A 38 68.835 -10.995 20.962 1.00 0.00 C ATOM 612 O ASN A 38 68.104 -11.206 21.930 1.00 0.00 O ATOM 613 CB ASN A 38 69.837 -8.733 20.627 1.00 0.00 C ATOM 614 CG ASN A 38 69.936 -7.559 19.659 1.00 0.00 C ATOM 615 OD1 ASN A 38 69.401 -7.620 18.552 1.00 0.00 O ATOM 616 ND2 ASN A 38 70.594 -6.489 20.012 1.00 0.00 N ATOM 0 H ASN A 38 67.371 -8.443 21.172 1.00 0.00 H new ATOM 0 HA ASN A 38 68.856 -9.910 19.115 1.00 0.00 H new ATOM 0 HB2 ASN A 38 69.625 -8.369 21.632 1.00 0.00 H new ATOM 0 HB3 ASN A 38 70.791 -9.259 20.673 1.00 0.00 H new ATOM 0 HD21 ASN A 38 70.666 -5.700 19.370 1.00 0.00 H new ATOM 0 HD22 ASN A 38 71.036 -6.442 20.930 1.00 0.00 H new ATOM 623 N ASP A 39 69.744 -11.866 20.538 1.00 0.00 N ATOM 624 CA ASP A 39 69.934 -13.147 21.210 1.00 0.00 C ATOM 625 C ASP A 39 70.186 -12.939 22.700 1.00 0.00 C ATOM 626 O ASP A 39 69.869 -13.803 23.519 1.00 0.00 O ATOM 627 CB ASP A 39 71.116 -13.892 20.590 1.00 0.00 C ATOM 628 CG ASP A 39 71.175 -15.318 21.127 1.00 0.00 C ATOM 629 OD1 ASP A 39 70.450 -15.606 22.065 1.00 0.00 O ATOM 630 OD2 ASP A 39 71.942 -16.100 20.592 1.00 0.00 O ATOM 0 H ASP A 39 70.357 -11.711 19.738 1.00 0.00 H new ATOM 0 HA ASP A 39 69.027 -13.738 21.086 1.00 0.00 H new ATOM 0 HB2 ASP A 39 71.018 -13.907 19.505 1.00 0.00 H new ATOM 0 HB3 ASP A 39 72.045 -13.370 20.818 1.00 0.00 H new ATOM 635 N GLU A 40 70.756 -11.789 23.044 1.00 0.00 N ATOM 636 CA GLU A 40 71.047 -11.480 24.439 1.00 0.00 C ATOM 637 C GLU A 40 69.753 -11.319 25.233 1.00 0.00 C ATOM 638 O GLU A 40 69.775 -11.224 26.460 1.00 0.00 O ATOM 639 CB GLU A 40 71.866 -10.191 24.529 1.00 0.00 C ATOM 640 CG GLU A 40 73.152 -10.347 23.713 1.00 0.00 C ATOM 641 CD GLU A 40 73.946 -9.045 23.739 1.00 0.00 C ATOM 642 OE1 GLU A 40 74.349 -8.642 24.819 1.00 0.00 O ATOM 643 OE2 GLU A 40 74.140 -8.471 22.680 1.00 0.00 O ATOM 0 H GLU A 40 71.024 -11.061 22.382 1.00 0.00 H new ATOM 0 HA GLU A 40 71.620 -12.305 24.862 1.00 0.00 H new ATOM 0 HB2 GLU A 40 71.283 -9.350 24.153 1.00 0.00 H new ATOM 0 HB3 GLU A 40 72.107 -9.972 25.569 1.00 0.00 H new ATOM 0 HG2 GLU A 40 73.755 -11.159 24.120 1.00 0.00 H new ATOM 0 HG3 GLU A 40 72.910 -10.615 22.684 1.00 0.00 H new ATOM 650 N GLY A 41 68.630 -11.288 24.525 1.00 0.00 N ATOM 651 CA GLY A 41 67.332 -11.139 25.174 1.00 0.00 C ATOM 652 C GLY A 41 66.928 -9.671 25.254 1.00 0.00 C ATOM 653 O GLY A 41 65.910 -9.330 25.855 1.00 0.00 O ATOM 0 H GLY A 41 68.591 -11.363 23.509 1.00 0.00 H new ATOM 0 HA2 GLY A 41 66.578 -11.698 24.620 1.00 0.00 H new ATOM 0 HA3 GLY A 41 67.372 -11.564 26.177 1.00 0.00 H new ATOM 657 N THR A 42 67.733 -8.807 24.644 1.00 0.00 N ATOM 658 CA THR A 42 67.449 -7.377 24.653 1.00 0.00 C ATOM 659 C THR A 42 66.358 -7.040 23.640 1.00 0.00 C ATOM 660 O THR A 42 66.529 -7.248 22.439 1.00 0.00 O ATOM 661 CB THR A 42 68.718 -6.589 24.320 1.00 0.00 C ATOM 662 OG1 THR A 42 69.505 -6.446 25.493 1.00 0.00 O ATOM 663 CG2 THR A 42 68.337 -5.206 23.788 1.00 0.00 C ATOM 0 H THR A 42 68.581 -9.069 24.141 1.00 0.00 H new ATOM 0 HA THR A 42 67.102 -7.102 25.649 1.00 0.00 H new ATOM 0 HB THR A 42 69.289 -7.123 23.561 1.00 0.00 H new ATOM 0 HG1 THR A 42 70.319 -5.943 25.281 1.00 0.00 H new ATOM 0 HG21 THR A 42 69.241 -4.645 23.551 1.00 0.00 H new ATOM 0 HG22 THR A 42 67.732 -5.316 22.888 1.00 0.00 H new ATOM 0 HG23 THR A 42 67.766 -4.670 24.545 1.00 0.00 H new ATOM 671 N GLU A 43 65.239 -6.521 24.134 1.00 0.00 N ATOM 672 CA GLU A 43 64.127 -6.160 23.261 1.00 0.00 C ATOM 673 C GLU A 43 64.365 -4.794 22.627 1.00 0.00 C ATOM 674 O GLU A 43 64.200 -3.760 23.274 1.00 0.00 O ATOM 675 CB GLU A 43 62.822 -6.132 24.060 1.00 0.00 C ATOM 676 CG GLU A 43 63.074 -5.493 25.428 1.00 0.00 C ATOM 677 CD GLU A 43 63.365 -6.574 26.463 1.00 0.00 C ATOM 678 OE1 GLU A 43 63.974 -7.566 26.099 1.00 0.00 O ATOM 679 OE2 GLU A 43 62.974 -6.392 27.604 1.00 0.00 O ATOM 0 H GLU A 43 65.078 -6.342 25.125 1.00 0.00 H new ATOM 0 HA GLU A 43 64.054 -6.908 22.471 1.00 0.00 H new ATOM 0 HB2 GLU A 43 62.063 -5.568 23.518 1.00 0.00 H new ATOM 0 HB3 GLU A 43 62.438 -7.144 24.185 1.00 0.00 H new ATOM 0 HG2 GLU A 43 63.914 -4.801 25.366 1.00 0.00 H new ATOM 0 HG3 GLU A 43 62.204 -4.911 25.733 1.00 0.00 H new ATOM 686 N ALA A 44 64.754 -4.797 21.356 1.00 0.00 N ATOM 687 CA ALA A 44 65.013 -3.551 20.643 1.00 0.00 C ATOM 688 C ALA A 44 63.746 -3.057 19.951 1.00 0.00 C ATOM 689 O ALA A 44 63.645 -3.087 18.726 1.00 0.00 O ATOM 690 CB ALA A 44 66.114 -3.764 19.603 1.00 0.00 C ATOM 0 H ALA A 44 64.896 -5.642 20.802 1.00 0.00 H new ATOM 0 HA ALA A 44 65.336 -2.801 21.365 1.00 0.00 H new ATOM 0 HB1 ALA A 44 66.301 -2.829 19.075 1.00 0.00 H new ATOM 0 HB2 ALA A 44 67.027 -4.089 20.101 1.00 0.00 H new ATOM 0 HB3 ALA A 44 65.799 -4.526 18.890 1.00 0.00 H new ATOM 696 N GLU A 45 62.783 -2.602 20.747 1.00 0.00 N ATOM 697 CA GLU A 45 61.526 -2.103 20.200 1.00 0.00 C ATOM 698 C GLU A 45 61.775 -1.312 18.920 1.00 0.00 C ATOM 699 O GLU A 45 62.496 -0.315 18.925 1.00 0.00 O ATOM 700 CB GLU A 45 60.835 -1.184 21.209 1.00 0.00 C ATOM 701 CG GLU A 45 60.261 -2.012 22.346 1.00 0.00 C ATOM 702 CD GLU A 45 59.782 -1.099 23.469 1.00 0.00 C ATOM 703 OE1 GLU A 45 60.146 0.065 23.456 1.00 0.00 O ATOM 704 OE2 GLU A 45 59.059 -1.578 24.327 1.00 0.00 O ATOM 0 H GLU A 45 62.848 -2.568 21.764 1.00 0.00 H new ATOM 0 HA GLU A 45 60.892 -2.963 19.984 1.00 0.00 H new ATOM 0 HB2 GLU A 45 61.546 -0.456 21.599 1.00 0.00 H new ATOM 0 HB3 GLU A 45 60.040 -0.622 20.719 1.00 0.00 H new ATOM 0 HG2 GLU A 45 59.432 -2.619 21.982 1.00 0.00 H new ATOM 0 HG3 GLU A 45 61.018 -2.700 22.724 1.00 0.00 H new ATOM 711 N ALA A 46 61.174 -1.765 17.824 1.00 0.00 N ATOM 712 CA ALA A 46 61.338 -1.092 16.541 1.00 0.00 C ATOM 713 C ALA A 46 60.888 0.363 16.639 1.00 0.00 C ATOM 714 O ALA A 46 61.371 1.223 15.903 1.00 0.00 O ATOM 715 CB ALA A 46 60.522 -1.809 15.466 1.00 0.00 C ATOM 0 H ALA A 46 60.573 -2.589 17.798 1.00 0.00 H new ATOM 0 HA ALA A 46 62.394 -1.117 16.271 1.00 0.00 H new ATOM 0 HB1 ALA A 46 60.651 -1.299 14.511 1.00 0.00 H new ATOM 0 HB2 ALA A 46 60.865 -2.840 15.376 1.00 0.00 H new ATOM 0 HB3 ALA A 46 59.468 -1.800 15.743 1.00 0.00 H new ATOM 721 N ASN A 47 59.959 0.630 17.552 1.00 0.00 N ATOM 722 CA ASN A 47 59.451 1.984 17.737 1.00 0.00 C ATOM 723 C ASN A 47 60.274 2.727 18.786 1.00 0.00 C ATOM 724 O ASN A 47 59.725 3.421 19.640 1.00 0.00 O ATOM 725 CB ASN A 47 57.987 1.937 18.175 1.00 0.00 C ATOM 726 CG ASN A 47 57.846 1.091 19.435 1.00 0.00 C ATOM 727 OD1 ASN A 47 57.448 -0.072 19.363 1.00 0.00 O ATOM 728 ND2 ASN A 47 58.151 1.608 20.594 1.00 0.00 N ATOM 0 H ASN A 47 59.546 -0.068 18.171 1.00 0.00 H new ATOM 0 HA ASN A 47 59.529 2.514 16.788 1.00 0.00 H new ATOM 0 HB2 ASN A 47 57.623 2.947 18.363 1.00 0.00 H new ATOM 0 HB3 ASN A 47 57.373 1.520 17.377 1.00 0.00 H new ATOM 0 HD21 ASN A 47 58.060 1.048 21.442 1.00 0.00 H new ATOM 0 HD22 ASN A 47 58.481 2.572 20.652 1.00 0.00 H new ATOM 735 N SER A 48 61.592 2.573 18.713 1.00 0.00 N ATOM 736 CA SER A 48 62.482 3.234 19.662 1.00 0.00 C ATOM 737 C SER A 48 63.866 3.430 19.051 1.00 0.00 C ATOM 738 O SER A 48 64.528 2.466 18.666 1.00 0.00 O ATOM 739 CB SER A 48 62.599 2.398 20.937 1.00 0.00 C ATOM 740 OG SER A 48 63.769 2.782 21.644 1.00 0.00 O ATOM 0 H SER A 48 62.065 2.001 18.013 1.00 0.00 H new ATOM 0 HA SER A 48 62.063 4.210 19.905 1.00 0.00 H new ATOM 0 HB2 SER A 48 61.718 2.543 21.563 1.00 0.00 H new ATOM 0 HB3 SER A 48 62.642 1.338 20.688 1.00 0.00 H new ATOM 0 HG SER A 48 63.846 2.249 22.463 1.00 0.00 H new ATOM 746 N VAL A 49 64.296 4.685 18.964 1.00 0.00 N ATOM 747 CA VAL A 49 65.603 4.995 18.397 1.00 0.00 C ATOM 748 C VAL A 49 66.717 4.457 19.289 1.00 0.00 C ATOM 749 O VAL A 49 67.779 4.065 18.804 1.00 0.00 O ATOM 750 CB VAL A 49 65.758 6.509 18.243 1.00 0.00 C ATOM 751 CG1 VAL A 49 64.980 6.979 17.012 1.00 0.00 C ATOM 752 CG2 VAL A 49 65.209 7.206 19.489 1.00 0.00 C ATOM 0 H VAL A 49 63.764 5.497 19.276 1.00 0.00 H new ATOM 0 HA VAL A 49 65.675 4.520 17.419 1.00 0.00 H new ATOM 0 HB VAL A 49 66.813 6.756 18.122 1.00 0.00 H new ATOM 0 HG11 VAL A 49 65.090 8.058 16.902 1.00 0.00 H new ATOM 0 HG12 VAL A 49 65.370 6.482 16.124 1.00 0.00 H new ATOM 0 HG13 VAL A 49 63.925 6.732 17.132 1.00 0.00 H new ATOM 0 HG21 VAL A 49 65.319 8.285 19.381 1.00 0.00 H new ATOM 0 HG22 VAL A 49 64.154 6.959 19.609 1.00 0.00 H new ATOM 0 HG23 VAL A 49 65.762 6.871 20.367 1.00 0.00 H new ATOM 762 N ILE A 50 66.469 4.441 20.594 1.00 0.00 N ATOM 763 CA ILE A 50 67.460 3.949 21.545 1.00 0.00 C ATOM 764 C ILE A 50 67.778 2.482 21.277 1.00 0.00 C ATOM 765 O ILE A 50 68.921 2.048 21.423 1.00 0.00 O ATOM 766 CB ILE A 50 66.936 4.107 22.973 1.00 0.00 C ATOM 767 CG1 ILE A 50 66.839 5.595 23.318 1.00 0.00 C ATOM 768 CG2 ILE A 50 67.896 3.421 23.948 1.00 0.00 C ATOM 769 CD1 ILE A 50 65.986 5.774 24.575 1.00 0.00 C ATOM 0 H ILE A 50 65.597 4.760 21.016 1.00 0.00 H new ATOM 0 HA ILE A 50 68.372 4.534 21.426 1.00 0.00 H new ATOM 0 HB ILE A 50 65.950 3.649 23.051 1.00 0.00 H new ATOM 0 HG12 ILE A 50 67.835 6.007 23.480 1.00 0.00 H new ATOM 0 HG13 ILE A 50 66.398 6.144 22.486 1.00 0.00 H new ATOM 0 HG21 ILE A 50 67.523 3.534 24.966 1.00 0.00 H new ATOM 0 HG22 ILE A 50 67.968 2.361 23.703 1.00 0.00 H new ATOM 0 HG23 ILE A 50 68.882 3.879 23.870 1.00 0.00 H new ATOM 0 HD11 ILE A 50 65.917 6.834 24.820 1.00 0.00 H new ATOM 0 HD12 ILE A 50 64.987 5.377 24.396 1.00 0.00 H new ATOM 0 HD13 ILE A 50 66.445 5.238 25.406 1.00 0.00 H new ATOM 781 N ALA A 51 66.760 1.723 20.882 1.00 0.00 N ATOM 782 CA ALA A 51 66.944 0.305 20.596 1.00 0.00 C ATOM 783 C ALA A 51 67.770 0.117 19.327 1.00 0.00 C ATOM 784 O ALA A 51 68.658 -0.734 19.273 1.00 0.00 O ATOM 785 CB ALA A 51 65.585 -0.375 20.426 1.00 0.00 C ATOM 0 H ALA A 51 65.807 2.063 20.754 1.00 0.00 H new ATOM 0 HA ALA A 51 67.475 -0.148 21.433 1.00 0.00 H new ATOM 0 HB1 ALA A 51 65.732 -1.434 20.213 1.00 0.00 H new ATOM 0 HB2 ALA A 51 65.007 -0.267 21.344 1.00 0.00 H new ATOM 0 HB3 ALA A 51 65.046 0.090 19.600 1.00 0.00 H new ATOM 791 N LEU A 52 67.473 0.917 18.309 1.00 0.00 N ATOM 792 CA LEU A 52 68.194 0.831 17.045 1.00 0.00 C ATOM 793 C LEU A 52 69.693 1.007 17.271 1.00 0.00 C ATOM 794 O LEU A 52 70.509 0.331 16.645 1.00 0.00 O ATOM 795 CB LEU A 52 67.691 1.906 16.080 1.00 0.00 C ATOM 796 CG LEU A 52 66.679 1.292 15.112 1.00 0.00 C ATOM 797 CD1 LEU A 52 65.578 0.587 15.905 1.00 0.00 C ATOM 798 CD2 LEU A 52 66.060 2.397 14.254 1.00 0.00 C ATOM 0 H LEU A 52 66.742 1.628 18.334 1.00 0.00 H new ATOM 0 HA LEU A 52 68.016 -0.154 16.613 1.00 0.00 H new ATOM 0 HB2 LEU A 52 67.229 2.721 16.637 1.00 0.00 H new ATOM 0 HB3 LEU A 52 68.527 2.332 15.526 1.00 0.00 H new ATOM 0 HG LEU A 52 67.183 0.570 14.469 1.00 0.00 H new ATOM 0 HD11 LEU A 52 64.856 0.149 15.215 1.00 0.00 H new ATOM 0 HD12 LEU A 52 66.018 -0.200 16.518 1.00 0.00 H new ATOM 0 HD13 LEU A 52 65.074 1.308 16.548 1.00 0.00 H new ATOM 0 HD21 LEU A 52 65.338 1.960 13.564 1.00 0.00 H new ATOM 0 HD22 LEU A 52 65.556 3.118 14.898 1.00 0.00 H new ATOM 0 HD23 LEU A 52 66.844 2.901 13.689 1.00 0.00 H new ATOM 810 N LEU A 53 70.046 1.921 18.169 1.00 0.00 N ATOM 811 CA LEU A 53 71.450 2.179 18.470 1.00 0.00 C ATOM 812 C LEU A 53 72.077 0.977 19.171 1.00 0.00 C ATOM 813 O LEU A 53 73.246 0.660 18.953 1.00 0.00 O ATOM 814 CB LEU A 53 71.573 3.414 19.364 1.00 0.00 C ATOM 815 CG LEU A 53 72.922 4.091 19.115 1.00 0.00 C ATOM 816 CD1 LEU A 53 73.042 5.332 20.003 1.00 0.00 C ATOM 817 CD2 LEU A 53 74.051 3.115 19.449 1.00 0.00 C ATOM 0 H LEU A 53 69.386 2.491 18.697 1.00 0.00 H new ATOM 0 HA LEU A 53 71.977 2.355 17.532 1.00 0.00 H new ATOM 0 HB2 LEU A 53 70.761 4.110 19.155 1.00 0.00 H new ATOM 0 HB3 LEU A 53 71.486 3.128 20.412 1.00 0.00 H new ATOM 0 HG LEU A 53 72.993 4.385 18.068 1.00 0.00 H new ATOM 0 HD11 LEU A 53 74.003 5.815 19.826 1.00 0.00 H new ATOM 0 HD12 LEU A 53 72.237 6.028 19.766 1.00 0.00 H new ATOM 0 HD13 LEU A 53 72.971 5.038 21.050 1.00 0.00 H new ATOM 0 HD21 LEU A 53 75.013 3.597 19.272 1.00 0.00 H new ATOM 0 HD22 LEU A 53 73.980 2.821 20.496 1.00 0.00 H new ATOM 0 HD23 LEU A 53 73.966 2.231 18.817 1.00 0.00 H new ATOM 829 N MET A 54 71.291 0.312 20.012 1.00 0.00 N ATOM 830 CA MET A 54 71.780 -0.853 20.740 1.00 0.00 C ATOM 831 C MET A 54 71.986 -2.029 19.789 1.00 0.00 C ATOM 832 O MET A 54 72.893 -2.840 19.978 1.00 0.00 O ATOM 833 CB MET A 54 70.781 -1.244 21.830 1.00 0.00 C ATOM 834 CG MET A 54 71.405 -2.307 22.736 1.00 0.00 C ATOM 835 SD MET A 54 72.613 -1.529 23.837 1.00 0.00 S ATOM 836 CE MET A 54 73.140 -3.033 24.694 1.00 0.00 C ATOM 0 H MET A 54 70.320 0.558 20.205 1.00 0.00 H new ATOM 0 HA MET A 54 72.736 -0.599 21.199 1.00 0.00 H new ATOM 0 HB2 MET A 54 70.505 -0.368 22.416 1.00 0.00 H new ATOM 0 HB3 MET A 54 69.866 -1.627 21.379 1.00 0.00 H new ATOM 0 HG2 MET A 54 70.630 -2.802 23.321 1.00 0.00 H new ATOM 0 HG3 MET A 54 71.889 -3.075 22.133 1.00 0.00 H new ATOM 0 HE1 MET A 54 73.899 -2.783 25.435 1.00 0.00 H new ATOM 0 HE2 MET A 54 72.283 -3.487 25.192 1.00 0.00 H new ATOM 0 HE3 MET A 54 73.555 -3.736 23.972 1.00 0.00 H new ATOM 846 N LEU A 55 71.138 -2.115 18.770 1.00 0.00 N ATOM 847 CA LEU A 55 71.237 -3.196 17.796 1.00 0.00 C ATOM 848 C LEU A 55 72.558 -3.117 17.039 1.00 0.00 C ATOM 849 O LEU A 55 73.065 -4.126 16.547 1.00 0.00 O ATOM 850 CB LEU A 55 70.073 -3.116 16.807 1.00 0.00 C ATOM 851 CG LEU A 55 68.766 -3.448 17.527 1.00 0.00 C ATOM 852 CD1 LEU A 55 67.584 -3.176 16.594 1.00 0.00 C ATOM 853 CD2 LEU A 55 68.767 -4.924 17.929 1.00 0.00 C ATOM 0 H LEU A 55 70.380 -1.455 18.597 1.00 0.00 H new ATOM 0 HA LEU A 55 71.195 -4.145 18.330 1.00 0.00 H new ATOM 0 HB2 LEU A 55 70.018 -2.117 16.374 1.00 0.00 H new ATOM 0 HB3 LEU A 55 70.233 -3.812 15.984 1.00 0.00 H new ATOM 0 HG LEU A 55 68.675 -2.827 18.418 1.00 0.00 H new ATOM 0 HD11 LEU A 55 66.653 -3.413 17.108 1.00 0.00 H new ATOM 0 HD12 LEU A 55 67.582 -2.125 16.306 1.00 0.00 H new ATOM 0 HD13 LEU A 55 67.674 -3.796 15.702 1.00 0.00 H new ATOM 0 HD21 LEU A 55 67.835 -5.162 18.443 1.00 0.00 H new ATOM 0 HD22 LEU A 55 68.858 -5.544 17.037 1.00 0.00 H new ATOM 0 HD23 LEU A 55 69.608 -5.119 18.594 1.00 0.00 H new ATOM 865 N ASP A 56 73.111 -1.912 16.948 1.00 0.00 N ATOM 866 CA ASP A 56 74.374 -1.711 16.248 1.00 0.00 C ATOM 867 C ASP A 56 75.431 -2.686 16.759 1.00 0.00 C ATOM 868 O ASP A 56 76.295 -3.132 16.004 1.00 0.00 O ATOM 869 CB ASP A 56 74.862 -0.276 16.448 1.00 0.00 C ATOM 870 CG ASP A 56 76.117 -0.030 15.619 1.00 0.00 C ATOM 871 OD1 ASP A 56 76.616 -0.981 15.039 1.00 0.00 O ATOM 872 OD2 ASP A 56 76.561 1.105 15.573 1.00 0.00 O ATOM 0 H ASP A 56 72.707 -1.065 17.348 1.00 0.00 H new ATOM 0 HA ASP A 56 74.211 -1.893 15.186 1.00 0.00 H new ATOM 0 HB2 ASP A 56 74.081 0.426 16.157 1.00 0.00 H new ATOM 0 HB3 ASP A 56 75.073 -0.099 17.503 1.00 0.00 H new ATOM 877 N SER A 57 75.354 -3.012 18.045 1.00 0.00 N ATOM 878 CA SER A 57 76.311 -3.935 18.647 1.00 0.00 C ATOM 879 C SER A 57 75.955 -5.376 18.299 1.00 0.00 C ATOM 880 O SER A 57 76.697 -6.304 18.622 1.00 0.00 O ATOM 881 CB SER A 57 76.319 -3.761 20.165 1.00 0.00 C ATOM 882 OG SER A 57 75.081 -4.215 20.696 1.00 0.00 O ATOM 0 H SER A 57 74.646 -2.655 18.686 1.00 0.00 H new ATOM 0 HA SER A 57 77.302 -3.712 18.252 1.00 0.00 H new ATOM 0 HB2 SER A 57 77.144 -4.323 20.603 1.00 0.00 H new ATOM 0 HB3 SER A 57 76.476 -2.713 20.422 1.00 0.00 H new ATOM 0 HG SER A 57 74.356 -3.642 20.370 1.00 0.00 H new ATOM 888 N ALA A 58 74.816 -5.557 17.639 1.00 0.00 N ATOM 889 CA ALA A 58 74.371 -6.892 17.253 1.00 0.00 C ATOM 890 C ALA A 58 75.095 -7.353 15.992 1.00 0.00 C ATOM 891 O ALA A 58 74.704 -8.337 15.365 1.00 0.00 O ATOM 892 CB ALA A 58 72.862 -6.889 17.004 1.00 0.00 C ATOM 0 H ALA A 58 74.188 -4.803 17.362 1.00 0.00 H new ATOM 0 HA ALA A 58 74.603 -7.581 18.065 1.00 0.00 H new ATOM 0 HB1 ALA A 58 72.539 -7.889 16.716 1.00 0.00 H new ATOM 0 HB2 ALA A 58 72.344 -6.588 17.914 1.00 0.00 H new ATOM 0 HB3 ALA A 58 72.627 -6.188 16.204 1.00 0.00 H new ATOM 898 N LYS A 59 76.152 -6.635 15.627 1.00 0.00 N ATOM 899 CA LYS A 59 76.924 -6.979 14.438 1.00 0.00 C ATOM 900 C LYS A 59 77.518 -8.378 14.571 1.00 0.00 C ATOM 901 O LYS A 59 78.560 -8.563 15.199 1.00 0.00 O ATOM 902 CB LYS A 59 78.048 -5.963 14.233 1.00 0.00 C ATOM 903 CG LYS A 59 78.654 -5.592 15.589 1.00 0.00 C ATOM 904 CD LYS A 59 79.948 -4.804 15.371 1.00 0.00 C ATOM 905 CE LYS A 59 80.568 -4.458 16.727 1.00 0.00 C ATOM 906 NZ LYS A 59 81.858 -3.743 16.514 1.00 0.00 N ATOM 0 H LYS A 59 76.492 -5.817 16.133 1.00 0.00 H new ATOM 0 HA LYS A 59 76.256 -6.960 13.577 1.00 0.00 H new ATOM 0 HB2 LYS A 59 78.816 -6.380 13.582 1.00 0.00 H new ATOM 0 HB3 LYS A 59 77.661 -5.071 13.739 1.00 0.00 H new ATOM 0 HG2 LYS A 59 77.946 -4.997 16.165 1.00 0.00 H new ATOM 0 HG3 LYS A 59 78.857 -6.493 16.167 1.00 0.00 H new ATOM 0 HD2 LYS A 59 80.649 -5.391 14.778 1.00 0.00 H new ATOM 0 HD3 LYS A 59 79.741 -3.892 14.810 1.00 0.00 H new ATOM 0 HE2 LYS A 59 79.885 -3.834 17.303 1.00 0.00 H new ATOM 0 HE3 LYS A 59 80.734 -5.367 17.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 82.280 -3.507 17.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 82.509 -4.353 15.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 81.686 -2.869 15.978 1.00 0.00 H new ATOM 920 N GLY A 60 76.847 -9.359 13.976 1.00 0.00 N ATOM 921 CA GLY A 60 77.318 -10.738 14.035 1.00 0.00 C ATOM 922 C GLY A 60 76.499 -11.552 15.029 1.00 0.00 C ATOM 923 O GLY A 60 76.763 -12.735 15.245 1.00 0.00 O ATOM 0 H GLY A 60 75.982 -9.227 13.451 1.00 0.00 H new ATOM 0 HA2 GLY A 60 77.252 -11.191 13.046 1.00 0.00 H new ATOM 0 HA3 GLY A 60 78.369 -10.755 14.324 1.00 0.00 H new ATOM 927 N ARG A 61 75.503 -10.911 15.633 1.00 0.00 N ATOM 928 CA ARG A 61 74.650 -11.587 16.604 1.00 0.00 C ATOM 929 C ARG A 61 73.298 -11.928 15.984 1.00 0.00 C ATOM 930 O ARG A 61 72.898 -11.337 14.982 1.00 0.00 O ATOM 931 CB ARG A 61 74.442 -10.694 17.828 1.00 0.00 C ATOM 932 CG ARG A 61 75.798 -10.199 18.336 1.00 0.00 C ATOM 933 CD ARG A 61 75.659 -9.721 19.782 1.00 0.00 C ATOM 934 NE ARG A 61 75.506 -10.861 20.678 1.00 0.00 N ATOM 935 CZ ARG A 61 75.766 -10.753 21.977 1.00 0.00 C ATOM 936 NH1 ARG A 61 75.621 -11.788 22.759 1.00 0.00 N ATOM 937 NH2 ARG A 61 76.167 -9.614 22.470 1.00 0.00 N ATOM 0 H ARG A 61 75.268 -9.932 15.469 1.00 0.00 H new ATOM 0 HA ARG A 61 75.141 -12.511 16.909 1.00 0.00 H new ATOM 0 HB2 ARG A 61 73.807 -9.846 17.569 1.00 0.00 H new ATOM 0 HB3 ARG A 61 73.928 -11.249 18.613 1.00 0.00 H new ATOM 0 HG2 ARG A 61 76.535 -11.000 18.276 1.00 0.00 H new ATOM 0 HG3 ARG A 61 76.159 -9.386 17.706 1.00 0.00 H new ATOM 0 HD2 ARG A 61 76.537 -9.141 20.067 1.00 0.00 H new ATOM 0 HD3 ARG A 61 74.797 -9.060 19.873 1.00 0.00 H new ATOM 0 HE ARG A 61 75.194 -11.756 20.302 1.00 0.00 H new ATOM 0 HH11 ARG A 61 75.308 -12.679 22.373 1.00 0.00 H new ATOM 0 HH12 ARG A 61 75.820 -11.706 23.756 1.00 0.00 H new ATOM 0 HH21 ARG A 61 76.281 -8.806 21.859 1.00 0.00 H new ATOM 0 HH22 ARG A 61 76.366 -9.532 23.467 1.00 0.00 H new ATOM 951 N GLN A 62 72.602 -12.885 16.588 1.00 0.00 N ATOM 952 CA GLN A 62 71.296 -13.298 16.086 1.00 0.00 C ATOM 953 C GLN A 62 70.185 -12.494 16.754 1.00 0.00 C ATOM 954 O GLN A 62 70.286 -12.132 17.927 1.00 0.00 O ATOM 955 CB GLN A 62 71.081 -14.789 16.353 1.00 0.00 C ATOM 956 CG GLN A 62 72.086 -15.604 15.537 1.00 0.00 C ATOM 957 CD GLN A 62 71.863 -17.094 15.775 1.00 0.00 C ATOM 958 OE1 GLN A 62 70.737 -17.579 15.672 1.00 0.00 O ATOM 959 NE2 GLN A 62 72.878 -17.853 16.088 1.00 0.00 N ATOM 0 H GLN A 62 72.917 -13.386 17.419 1.00 0.00 H new ATOM 0 HA GLN A 62 71.266 -13.113 15.012 1.00 0.00 H new ATOM 0 HB2 GLN A 62 71.203 -15.000 17.415 1.00 0.00 H new ATOM 0 HB3 GLN A 62 70.063 -15.074 16.086 1.00 0.00 H new ATOM 0 HG2 GLN A 62 71.976 -15.376 14.477 1.00 0.00 H new ATOM 0 HG3 GLN A 62 73.103 -15.330 15.818 1.00 0.00 H new ATOM 0 HE21 GLN A 62 73.810 -17.448 16.173 1.00 0.00 H new ATOM 0 HE22 GLN A 62 72.739 -18.851 16.248 1.00 0.00 H new ATOM 968 N ILE A 63 69.125 -12.218 16.001 1.00 0.00 N ATOM 969 CA ILE A 63 67.999 -11.458 16.531 1.00 0.00 C ATOM 970 C ILE A 63 66.681 -12.141 16.185 1.00 0.00 C ATOM 971 O ILE A 63 66.620 -12.969 15.276 1.00 0.00 O ATOM 972 CB ILE A 63 68.009 -10.041 15.954 1.00 0.00 C ATOM 973 CG1 ILE A 63 67.711 -10.100 14.454 1.00 0.00 C ATOM 974 CG2 ILE A 63 69.383 -9.407 16.175 1.00 0.00 C ATOM 975 CD1 ILE A 63 67.761 -8.688 13.867 1.00 0.00 C ATOM 0 H ILE A 63 69.022 -12.507 15.028 1.00 0.00 H new ATOM 0 HA ILE A 63 68.095 -11.410 17.616 1.00 0.00 H new ATOM 0 HB ILE A 63 67.249 -9.441 16.454 1.00 0.00 H new ATOM 0 HG12 ILE A 63 68.438 -10.739 13.953 1.00 0.00 H new ATOM 0 HG13 ILE A 63 66.729 -10.541 14.285 1.00 0.00 H new ATOM 0 HG21 ILE A 63 69.388 -8.398 15.763 1.00 0.00 H new ATOM 0 HG22 ILE A 63 69.597 -9.365 17.243 1.00 0.00 H new ATOM 0 HG23 ILE A 63 70.145 -10.006 15.676 1.00 0.00 H new ATOM 0 HD11 ILE A 63 67.549 -8.730 12.799 1.00 0.00 H new ATOM 0 HD12 ILE A 63 67.017 -8.062 14.360 1.00 0.00 H new ATOM 0 HD13 ILE A 63 68.753 -8.264 14.023 1.00 0.00 H new ATOM 987 N GLU A 64 65.627 -11.790 16.916 1.00 0.00 N ATOM 988 CA GLU A 64 64.314 -12.377 16.676 1.00 0.00 C ATOM 989 C GLU A 64 63.292 -11.292 16.356 1.00 0.00 C ATOM 990 O GLU A 64 62.776 -10.627 17.255 1.00 0.00 O ATOM 991 CB GLU A 64 63.861 -13.161 17.909 1.00 0.00 C ATOM 992 CG GLU A 64 65.061 -13.879 18.530 1.00 0.00 C ATOM 993 CD GLU A 64 64.608 -14.726 19.713 1.00 0.00 C ATOM 994 OE1 GLU A 64 63.686 -14.309 20.396 1.00 0.00 O ATOM 995 OE2 GLU A 64 65.188 -15.778 19.920 1.00 0.00 O ATOM 0 H GLU A 64 65.656 -11.107 17.673 1.00 0.00 H new ATOM 0 HA GLU A 64 64.388 -13.052 15.823 1.00 0.00 H new ATOM 0 HB2 GLU A 64 63.412 -12.486 18.637 1.00 0.00 H new ATOM 0 HB3 GLU A 64 63.095 -13.885 17.631 1.00 0.00 H new ATOM 0 HG2 GLU A 64 65.543 -14.510 17.784 1.00 0.00 H new ATOM 0 HG3 GLU A 64 65.802 -13.150 18.857 1.00 0.00 H new ATOM 1002 N VAL A 65 63.004 -11.118 15.070 1.00 0.00 N ATOM 1003 CA VAL A 65 62.042 -10.109 14.643 1.00 0.00 C ATOM 1004 C VAL A 65 60.616 -10.627 14.804 1.00 0.00 C ATOM 1005 O VAL A 65 60.284 -11.717 14.339 1.00 0.00 O ATOM 1006 CB VAL A 65 62.289 -9.739 13.180 1.00 0.00 C ATOM 1007 CG1 VAL A 65 61.507 -8.470 12.834 1.00 0.00 C ATOM 1008 CG2 VAL A 65 63.784 -9.489 12.964 1.00 0.00 C ATOM 0 H VAL A 65 63.419 -11.658 14.311 1.00 0.00 H new ATOM 0 HA VAL A 65 62.169 -9.225 15.268 1.00 0.00 H new ATOM 0 HB VAL A 65 61.958 -10.556 12.538 1.00 0.00 H new ATOM 0 HG11 VAL A 65 61.684 -8.207 11.791 1.00 0.00 H new ATOM 0 HG12 VAL A 65 60.442 -8.645 12.989 1.00 0.00 H new ATOM 0 HG13 VAL A 65 61.837 -7.653 13.475 1.00 0.00 H new ATOM 0 HG21 VAL A 65 63.962 -9.225 11.921 1.00 0.00 H new ATOM 0 HG22 VAL A 65 64.113 -8.672 13.606 1.00 0.00 H new ATOM 0 HG23 VAL A 65 64.343 -10.392 13.210 1.00 0.00 H new ATOM 1018 N GLU A 66 59.777 -9.837 15.468 1.00 0.00 N ATOM 1019 CA GLU A 66 58.389 -10.225 15.684 1.00 0.00 C ATOM 1020 C GLU A 66 57.444 -9.156 15.146 1.00 0.00 C ATOM 1021 O GLU A 66 57.697 -7.960 15.292 1.00 0.00 O ATOM 1022 CB GLU A 66 58.132 -10.432 17.178 1.00 0.00 C ATOM 1023 CG GLU A 66 56.643 -10.704 17.408 1.00 0.00 C ATOM 1024 CD GLU A 66 56.416 -11.184 18.837 1.00 0.00 C ATOM 1025 OE1 GLU A 66 57.387 -11.287 19.568 1.00 0.00 O ATOM 1026 OE2 GLU A 66 55.274 -11.443 19.179 1.00 0.00 O ATOM 0 H GLU A 66 60.032 -8.932 15.863 1.00 0.00 H new ATOM 0 HA GLU A 66 58.204 -11.158 15.151 1.00 0.00 H new ATOM 0 HB2 GLU A 66 58.726 -11.268 17.548 1.00 0.00 H new ATOM 0 HB3 GLU A 66 58.442 -9.549 17.737 1.00 0.00 H new ATOM 0 HG2 GLU A 66 56.067 -9.797 17.224 1.00 0.00 H new ATOM 0 HG3 GLU A 66 56.289 -11.456 16.702 1.00 0.00 H new ATOM 1033 N ALA A 67 56.355 -9.593 14.524 1.00 0.00 N ATOM 1034 CA ALA A 67 55.380 -8.663 13.966 1.00 0.00 C ATOM 1035 C ALA A 67 53.958 -9.136 14.256 1.00 0.00 C ATOM 1036 O ALA A 67 53.646 -10.318 14.111 1.00 0.00 O ATOM 1037 CB ALA A 67 55.580 -8.539 12.455 1.00 0.00 C ATOM 0 H ALA A 67 56.126 -10.578 14.394 1.00 0.00 H new ATOM 0 HA ALA A 67 55.529 -7.689 14.433 1.00 0.00 H new ATOM 0 HB1 ALA A 67 54.848 -7.843 12.047 1.00 0.00 H new ATOM 0 HB2 ALA A 67 56.585 -8.170 12.250 1.00 0.00 H new ATOM 0 HB3 ALA A 67 55.450 -9.516 11.989 1.00 0.00 H new ATOM 1043 N THR A 68 53.103 -8.205 14.666 1.00 0.00 N ATOM 1044 CA THR A 68 51.717 -8.539 14.973 1.00 0.00 C ATOM 1045 C THR A 68 50.766 -7.582 14.261 1.00 0.00 C ATOM 1046 O THR A 68 50.941 -6.365 14.314 1.00 0.00 O ATOM 1047 CB THR A 68 51.483 -8.464 16.484 1.00 0.00 C ATOM 1048 OG1 THR A 68 52.459 -9.252 17.152 1.00 0.00 O ATOM 1049 CG2 THR A 68 50.086 -8.992 16.813 1.00 0.00 C ATOM 0 H THR A 68 53.342 -7.222 14.793 1.00 0.00 H new ATOM 0 HA THR A 68 51.522 -9.554 14.626 1.00 0.00 H new ATOM 0 HB THR A 68 51.564 -7.428 16.814 1.00 0.00 H new ATOM 0 HG1 THR A 68 52.312 -9.204 18.120 1.00 0.00 H new ATOM 0 HG21 THR A 68 49.921 -8.938 17.889 1.00 0.00 H new ATOM 0 HG22 THR A 68 49.338 -8.387 16.300 1.00 0.00 H new ATOM 0 HG23 THR A 68 50.002 -10.028 16.485 1.00 0.00 H new ATOM 1057 N GLY A 69 49.759 -8.141 13.598 1.00 0.00 N ATOM 1058 CA GLY A 69 48.786 -7.326 12.879 1.00 0.00 C ATOM 1059 C GLY A 69 48.452 -7.945 11.525 1.00 0.00 C ATOM 1060 O GLY A 69 49.136 -8.857 11.061 1.00 0.00 O ATOM 0 H GLY A 69 49.596 -9.146 13.543 1.00 0.00 H new ATOM 0 HA2 GLY A 69 47.877 -7.229 13.473 1.00 0.00 H new ATOM 0 HA3 GLY A 69 49.182 -6.321 12.736 1.00 0.00 H new ATOM 1064 N PRO A 70 47.418 -7.462 10.892 1.00 0.00 N ATOM 1065 CA PRO A 70 46.975 -7.971 9.562 1.00 0.00 C ATOM 1066 C PRO A 70 48.137 -8.093 8.579 1.00 0.00 C ATOM 1067 O PRO A 70 48.252 -9.086 7.861 1.00 0.00 O ATOM 1068 CB PRO A 70 45.968 -6.921 9.091 1.00 0.00 C ATOM 1069 CG PRO A 70 45.442 -6.285 10.335 1.00 0.00 C ATOM 1070 CD PRO A 70 46.555 -6.376 11.381 1.00 0.00 C ATOM 0 HA PRO A 70 46.552 -8.974 9.625 1.00 0.00 H new ATOM 0 HB2 PRO A 70 46.444 -6.184 8.444 1.00 0.00 H new ATOM 0 HB3 PRO A 70 45.164 -7.379 8.515 1.00 0.00 H new ATOM 0 HG2 PRO A 70 45.167 -5.246 10.152 1.00 0.00 H new ATOM 0 HG3 PRO A 70 44.544 -6.796 10.681 1.00 0.00 H new ATOM 0 HD2 PRO A 70 47.103 -5.437 11.463 1.00 0.00 H new ATOM 0 HD3 PRO A 70 46.155 -6.599 12.370 1.00 0.00 H new ATOM 1078 N GLN A 71 48.993 -7.077 8.554 1.00 0.00 N ATOM 1079 CA GLN A 71 50.141 -7.082 7.655 1.00 0.00 C ATOM 1080 C GLN A 71 51.399 -7.529 8.394 1.00 0.00 C ATOM 1081 O GLN A 71 52.518 -7.258 7.957 1.00 0.00 O ATOM 1082 CB GLN A 71 50.359 -5.683 7.076 1.00 0.00 C ATOM 1083 CG GLN A 71 49.200 -5.331 6.140 1.00 0.00 C ATOM 1084 CD GLN A 71 49.393 -3.928 5.575 1.00 0.00 C ATOM 1085 OE1 GLN A 71 50.492 -3.577 5.146 1.00 0.00 O ATOM 1086 NE2 GLN A 71 48.385 -3.101 5.550 1.00 0.00 N ATOM 0 H GLN A 71 48.915 -6.246 9.141 1.00 0.00 H new ATOM 0 HA GLN A 71 49.940 -7.783 6.845 1.00 0.00 H new ATOM 0 HB2 GLN A 71 50.425 -4.951 7.881 1.00 0.00 H new ATOM 0 HB3 GLN A 71 51.303 -5.646 6.533 1.00 0.00 H new ATOM 0 HG2 GLN A 71 49.146 -6.055 5.327 1.00 0.00 H new ATOM 0 HG3 GLN A 71 48.255 -5.387 6.681 1.00 0.00 H new ATOM 0 HE21 GLN A 71 47.475 -3.395 5.906 1.00 0.00 H new ATOM 0 HE22 GLN A 71 48.506 -2.161 5.174 1.00 0.00 H new ATOM 1095 N GLU A 72 51.207 -8.215 9.517 1.00 0.00 N ATOM 1096 CA GLU A 72 52.333 -8.693 10.309 1.00 0.00 C ATOM 1097 C GLU A 72 53.300 -9.490 9.440 1.00 0.00 C ATOM 1098 O GLU A 72 54.516 -9.333 9.544 1.00 0.00 O ATOM 1099 CB GLU A 72 51.829 -9.574 11.454 1.00 0.00 C ATOM 1100 CG GLU A 72 51.310 -10.899 10.890 1.00 0.00 C ATOM 1101 CD GLU A 72 50.567 -11.672 11.974 1.00 0.00 C ATOM 1102 OE1 GLU A 72 50.408 -11.132 13.055 1.00 0.00 O ATOM 1103 OE2 GLU A 72 50.168 -12.793 11.706 1.00 0.00 O ATOM 0 H GLU A 72 50.290 -8.450 9.896 1.00 0.00 H new ATOM 0 HA GLU A 72 52.857 -7.830 10.718 1.00 0.00 H new ATOM 0 HB2 GLU A 72 52.634 -9.760 12.165 1.00 0.00 H new ATOM 0 HB3 GLU A 72 51.035 -9.062 11.998 1.00 0.00 H new ATOM 0 HG2 GLU A 72 50.646 -10.709 10.047 1.00 0.00 H new ATOM 0 HG3 GLU A 72 52.142 -11.494 10.513 1.00 0.00 H new ATOM 1110 N GLU A 73 52.751 -10.344 8.583 1.00 0.00 N ATOM 1111 CA GLU A 73 53.576 -11.161 7.700 1.00 0.00 C ATOM 1112 C GLU A 73 54.302 -10.284 6.684 1.00 0.00 C ATOM 1113 O GLU A 73 55.498 -10.456 6.443 1.00 0.00 O ATOM 1114 CB GLU A 73 52.705 -12.181 6.966 1.00 0.00 C ATOM 1115 CG GLU A 73 52.000 -13.078 7.985 1.00 0.00 C ATOM 1116 CD GLU A 73 51.270 -14.209 7.269 1.00 0.00 C ATOM 1117 OE1 GLU A 73 51.200 -14.165 6.052 1.00 0.00 O ATOM 1118 OE2 GLU A 73 50.793 -15.104 7.948 1.00 0.00 O ATOM 0 H GLU A 73 51.746 -10.488 8.481 1.00 0.00 H new ATOM 0 HA GLU A 73 54.315 -11.685 8.306 1.00 0.00 H new ATOM 0 HB2 GLU A 73 51.969 -11.668 6.347 1.00 0.00 H new ATOM 0 HB3 GLU A 73 53.319 -12.785 6.297 1.00 0.00 H new ATOM 0 HG2 GLU A 73 52.728 -13.489 8.684 1.00 0.00 H new ATOM 0 HG3 GLU A 73 51.292 -12.491 8.570 1.00 0.00 H new ATOM 1125 N GLU A 74 53.573 -9.345 6.091 1.00 0.00 N ATOM 1126 CA GLU A 74 54.159 -8.448 5.102 1.00 0.00 C ATOM 1127 C GLU A 74 55.240 -7.581 5.740 1.00 0.00 C ATOM 1128 O GLU A 74 56.353 -7.479 5.225 1.00 0.00 O ATOM 1129 CB GLU A 74 53.074 -7.552 4.500 1.00 0.00 C ATOM 1130 CG GLU A 74 51.853 -8.401 4.139 1.00 0.00 C ATOM 1131 CD GLU A 74 50.894 -7.593 3.272 1.00 0.00 C ATOM 1132 OE1 GLU A 74 50.739 -6.412 3.537 1.00 0.00 O ATOM 1133 OE2 GLU A 74 50.329 -8.166 2.355 1.00 0.00 O ATOM 0 H GLU A 74 52.583 -9.186 6.276 1.00 0.00 H new ATOM 0 HA GLU A 74 54.610 -9.051 4.314 1.00 0.00 H new ATOM 0 HB2 GLU A 74 52.793 -6.775 5.211 1.00 0.00 H new ATOM 0 HB3 GLU A 74 53.455 -7.048 3.612 1.00 0.00 H new ATOM 0 HG2 GLU A 74 52.168 -9.299 3.607 1.00 0.00 H new ATOM 0 HG3 GLU A 74 51.347 -8.729 5.047 1.00 0.00 H new ATOM 1140 N ALA A 75 54.903 -6.957 6.865 1.00 0.00 N ATOM 1141 CA ALA A 75 55.853 -6.100 7.566 1.00 0.00 C ATOM 1142 C ALA A 75 57.122 -6.876 7.906 1.00 0.00 C ATOM 1143 O ALA A 75 58.233 -6.406 7.661 1.00 0.00 O ATOM 1144 CB ALA A 75 55.222 -5.562 8.850 1.00 0.00 C ATOM 0 H ALA A 75 53.987 -7.028 7.308 1.00 0.00 H new ATOM 0 HA ALA A 75 56.113 -5.266 6.914 1.00 0.00 H new ATOM 0 HB1 ALA A 75 55.938 -4.923 9.367 1.00 0.00 H new ATOM 0 HB2 ALA A 75 54.332 -4.984 8.603 1.00 0.00 H new ATOM 0 HB3 ALA A 75 54.946 -6.395 9.496 1.00 0.00 H new ATOM 1150 N LEU A 76 56.949 -8.065 8.471 1.00 0.00 N ATOM 1151 CA LEU A 76 58.087 -8.898 8.841 1.00 0.00 C ATOM 1152 C LEU A 76 58.876 -9.307 7.601 1.00 0.00 C ATOM 1153 O LEU A 76 60.106 -9.264 7.594 1.00 0.00 O ATOM 1154 CB LEU A 76 57.604 -10.150 9.576 1.00 0.00 C ATOM 1155 CG LEU A 76 58.772 -10.780 10.335 1.00 0.00 C ATOM 1156 CD1 LEU A 76 58.867 -10.165 11.732 1.00 0.00 C ATOM 1157 CD2 LEU A 76 58.544 -12.288 10.458 1.00 0.00 C ATOM 0 H LEU A 76 56.038 -8.472 8.682 1.00 0.00 H new ATOM 0 HA LEU A 76 58.737 -8.320 9.499 1.00 0.00 H new ATOM 0 HB2 LEU A 76 56.804 -9.891 10.269 1.00 0.00 H new ATOM 0 HB3 LEU A 76 57.191 -10.865 8.865 1.00 0.00 H new ATOM 0 HG LEU A 76 59.699 -10.593 9.793 1.00 0.00 H new ATOM 0 HD11 LEU A 76 59.700 -10.615 12.272 1.00 0.00 H new ATOM 0 HD12 LEU A 76 59.028 -9.090 11.646 1.00 0.00 H new ATOM 0 HD13 LEU A 76 57.940 -10.350 12.275 1.00 0.00 H new ATOM 0 HD21 LEU A 76 59.376 -12.739 10.999 1.00 0.00 H new ATOM 0 HD22 LEU A 76 57.616 -12.473 11.000 1.00 0.00 H new ATOM 0 HD23 LEU A 76 58.477 -12.728 9.463 1.00 0.00 H new ATOM 1169 N ALA A 77 58.159 -9.701 6.554 1.00 0.00 N ATOM 1170 CA ALA A 77 58.803 -10.114 5.312 1.00 0.00 C ATOM 1171 C ALA A 77 59.624 -8.969 4.730 1.00 0.00 C ATOM 1172 O ALA A 77 60.744 -9.171 4.260 1.00 0.00 O ATOM 1173 CB ALA A 77 57.747 -10.556 4.298 1.00 0.00 C ATOM 0 H ALA A 77 57.140 -9.743 6.540 1.00 0.00 H new ATOM 0 HA ALA A 77 59.468 -10.950 5.529 1.00 0.00 H new ATOM 0 HB1 ALA A 77 58.236 -10.863 3.374 1.00 0.00 H new ATOM 0 HB2 ALA A 77 57.181 -11.394 4.704 1.00 0.00 H new ATOM 0 HB3 ALA A 77 57.070 -9.727 4.092 1.00 0.00 H new ATOM 1179 N ALA A 78 59.061 -7.766 4.764 1.00 0.00 N ATOM 1180 CA ALA A 78 59.751 -6.594 4.237 1.00 0.00 C ATOM 1181 C ALA A 78 61.063 -6.367 4.982 1.00 0.00 C ATOM 1182 O ALA A 78 62.096 -6.094 4.369 1.00 0.00 O ATOM 1183 CB ALA A 78 58.862 -5.357 4.377 1.00 0.00 C ATOM 0 H ALA A 78 58.135 -7.577 5.148 1.00 0.00 H new ATOM 0 HA ALA A 78 59.969 -6.766 3.183 1.00 0.00 H new ATOM 0 HB1 ALA A 78 59.385 -4.486 3.981 1.00 0.00 H new ATOM 0 HB2 ALA A 78 57.937 -5.509 3.821 1.00 0.00 H new ATOM 0 HB3 ALA A 78 58.630 -5.193 5.429 1.00 0.00 H new ATOM 1189 N VAL A 79 61.014 -6.483 6.305 1.00 0.00 N ATOM 1190 CA VAL A 79 62.205 -6.288 7.122 1.00 0.00 C ATOM 1191 C VAL A 79 63.224 -7.392 6.852 1.00 0.00 C ATOM 1192 O VAL A 79 64.419 -7.129 6.727 1.00 0.00 O ATOM 1193 CB VAL A 79 61.827 -6.291 8.604 1.00 0.00 C ATOM 1194 CG1 VAL A 79 63.068 -5.995 9.449 1.00 0.00 C ATOM 1195 CG2 VAL A 79 60.770 -5.215 8.861 1.00 0.00 C ATOM 0 H VAL A 79 60.169 -6.709 6.830 1.00 0.00 H new ATOM 0 HA VAL A 79 62.649 -5.327 6.863 1.00 0.00 H new ATOM 0 HB VAL A 79 61.428 -7.268 8.875 1.00 0.00 H new ATOM 0 HG11 VAL A 79 62.798 -5.997 10.505 1.00 0.00 H new ATOM 0 HG12 VAL A 79 63.824 -6.759 9.266 1.00 0.00 H new ATOM 0 HG13 VAL A 79 63.468 -5.018 9.179 1.00 0.00 H new ATOM 0 HG21 VAL A 79 60.499 -5.216 9.917 1.00 0.00 H new ATOM 0 HG22 VAL A 79 61.171 -4.239 8.590 1.00 0.00 H new ATOM 0 HG23 VAL A 79 59.885 -5.423 8.260 1.00 0.00 H new ATOM 1205 N ILE A 80 62.740 -8.627 6.764 1.00 0.00 N ATOM 1206 CA ILE A 80 63.618 -9.762 6.507 1.00 0.00 C ATOM 1207 C ILE A 80 64.280 -9.628 5.140 1.00 0.00 C ATOM 1208 O ILE A 80 65.472 -9.897 4.987 1.00 0.00 O ATOM 1209 CB ILE A 80 62.818 -11.064 6.562 1.00 0.00 C ATOM 1210 CG1 ILE A 80 62.441 -11.370 8.014 1.00 0.00 C ATOM 1211 CG2 ILE A 80 63.665 -12.210 6.006 1.00 0.00 C ATOM 1212 CD1 ILE A 80 61.481 -12.561 8.054 1.00 0.00 C ATOM 0 H ILE A 80 61.754 -8.866 6.866 1.00 0.00 H new ATOM 0 HA ILE A 80 64.393 -9.779 7.274 1.00 0.00 H new ATOM 0 HB ILE A 80 61.913 -10.958 5.964 1.00 0.00 H new ATOM 0 HG12 ILE A 80 63.337 -11.592 8.594 1.00 0.00 H new ATOM 0 HG13 ILE A 80 61.974 -10.498 8.471 1.00 0.00 H new ATOM 0 HG21 ILE A 80 63.094 -13.137 6.046 1.00 0.00 H new ATOM 0 HG22 ILE A 80 63.935 -11.994 4.972 1.00 0.00 H new ATOM 0 HG23 ILE A 80 64.571 -12.316 6.603 1.00 0.00 H new ATOM 0 HD11 ILE A 80 61.213 -12.778 9.088 1.00 0.00 H new ATOM 0 HD12 ILE A 80 60.580 -12.322 7.489 1.00 0.00 H new ATOM 0 HD13 ILE A 80 61.965 -13.433 7.614 1.00 0.00 H new ATOM 1224 N ALA A 81 63.500 -9.209 4.149 1.00 0.00 N ATOM 1225 CA ALA A 81 64.021 -9.042 2.798 1.00 0.00 C ATOM 1226 C ALA A 81 65.103 -7.965 2.772 1.00 0.00 C ATOM 1227 O ALA A 81 66.085 -8.076 2.039 1.00 0.00 O ATOM 1228 CB ALA A 81 62.889 -8.654 1.844 1.00 0.00 C ATOM 0 H ALA A 81 62.512 -8.980 4.255 1.00 0.00 H new ATOM 0 HA ALA A 81 64.456 -9.988 2.477 1.00 0.00 H new ATOM 0 HB1 ALA A 81 63.288 -8.531 0.837 1.00 0.00 H new ATOM 0 HB2 ALA A 81 62.131 -9.437 1.841 1.00 0.00 H new ATOM 0 HB3 ALA A 81 62.441 -7.717 2.173 1.00 0.00 H new ATOM 1234 N LEU A 82 64.914 -6.926 3.579 1.00 0.00 N ATOM 1235 CA LEU A 82 65.881 -5.836 3.641 1.00 0.00 C ATOM 1236 C LEU A 82 67.148 -6.286 4.360 1.00 0.00 C ATOM 1237 O LEU A 82 68.257 -5.919 3.973 1.00 0.00 O ATOM 1238 CB LEU A 82 65.273 -4.640 4.377 1.00 0.00 C ATOM 1239 CG LEU A 82 64.246 -3.953 3.476 1.00 0.00 C ATOM 1240 CD1 LEU A 82 63.383 -3.008 4.313 1.00 0.00 C ATOM 1241 CD2 LEU A 82 64.974 -3.153 2.393 1.00 0.00 C ATOM 0 H LEU A 82 64.108 -6.816 4.194 1.00 0.00 H new ATOM 0 HA LEU A 82 66.138 -5.544 2.623 1.00 0.00 H new ATOM 0 HB2 LEU A 82 64.798 -4.971 5.300 1.00 0.00 H new ATOM 0 HB3 LEU A 82 66.056 -3.935 4.656 1.00 0.00 H new ATOM 0 HG LEU A 82 63.611 -4.706 3.009 1.00 0.00 H new ATOM 0 HD11 LEU A 82 62.651 -2.518 3.670 1.00 0.00 H new ATOM 0 HD12 LEU A 82 62.865 -3.576 5.085 1.00 0.00 H new ATOM 0 HD13 LEU A 82 64.017 -2.254 4.781 1.00 0.00 H new ATOM 0 HD21 LEU A 82 64.243 -2.663 1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 82 65.608 -2.400 2.861 1.00 0.00 H new ATOM 0 HD23 LEU A 82 65.590 -3.826 1.796 1.00 0.00 H new ATOM 1253 N PHE A 83 66.974 -7.085 5.409 1.00 0.00 N ATOM 1254 CA PHE A 83 68.111 -7.581 6.176 1.00 0.00 C ATOM 1255 C PHE A 83 68.934 -8.559 5.343 1.00 0.00 C ATOM 1256 O PHE A 83 70.152 -8.650 5.498 1.00 0.00 O ATOM 1257 CB PHE A 83 67.620 -8.278 7.446 1.00 0.00 C ATOM 1258 CG PHE A 83 67.356 -7.247 8.517 1.00 0.00 C ATOM 1259 CD1 PHE A 83 66.717 -6.045 8.191 1.00 0.00 C ATOM 1260 CD2 PHE A 83 67.752 -7.494 9.838 1.00 0.00 C ATOM 1261 CE1 PHE A 83 66.473 -5.090 9.185 1.00 0.00 C ATOM 1262 CE2 PHE A 83 67.508 -6.539 10.832 1.00 0.00 C ATOM 1263 CZ PHE A 83 66.869 -5.337 10.506 1.00 0.00 C ATOM 0 H PHE A 83 66.064 -7.400 5.745 1.00 0.00 H new ATOM 0 HA PHE A 83 68.740 -6.733 6.447 1.00 0.00 H new ATOM 0 HB2 PHE A 83 66.710 -8.841 7.236 1.00 0.00 H new ATOM 0 HB3 PHE A 83 68.365 -8.994 7.792 1.00 0.00 H new ATOM 0 HD1 PHE A 83 66.412 -5.854 7.173 1.00 0.00 H new ATOM 0 HD2 PHE A 83 68.245 -8.421 10.089 1.00 0.00 H new ATOM 0 HE1 PHE A 83 65.980 -4.163 8.934 1.00 0.00 H new ATOM 0 HE2 PHE A 83 67.813 -6.730 11.850 1.00 0.00 H new ATOM 0 HZ PHE A 83 66.681 -4.600 11.273 1.00 0.00 H new