USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 522 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot -8:sc= 1.21 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 18:sc= 0.627! USER MOD Single : A 29 LYS NZ :NH3+ 164:sc= -0.872 (180deg=-1.22) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot -15:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -2.9! K(o=-2.9!,f=-1.1) USER MOD Single : A 50 ASN : amide:sc= -0.0473 K(o=-0.047,f=-2.5!) USER MOD Single : A 58 HIS : no HD1:sc= -2.38! C(o=-2.4!,f=-6.4!) USER MOD Single : A 59 GLN : amide:sc= -0.189 K(o=-0.19,f=-0.74) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.0734 K(o=-0.073,f=-0.91) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 38:sc= 0.0297 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.419 27.254 6.261 1.00 0.00 N ATOM 2 CA GLY A 1 8.804 25.867 6.083 1.00 0.00 C ATOM 3 C GLY A 1 10.236 25.719 5.609 1.00 0.00 C ATOM 4 O GLY A 1 10.601 26.220 4.546 1.00 0.00 O ATOM 0 H1 GLY A 1 7.432 27.301 6.586 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.038 27.698 6.969 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.510 27.759 5.356 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.680 25.335 7.026 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.135 25.397 5.362 1.00 0.00 H new ATOM 8 N SER A 2 11.051 25.029 6.401 1.00 0.00 N ATOM 9 CA SER A 2 12.453 24.821 6.060 1.00 0.00 C ATOM 10 C SER A 2 12.909 23.422 6.463 1.00 0.00 C ATOM 11 O SER A 2 12.973 23.095 7.648 1.00 0.00 O ATOM 12 CB SER A 2 13.328 25.872 6.746 1.00 0.00 C ATOM 13 OG SER A 2 14.700 25.661 6.458 1.00 0.00 O ATOM 0 H SER A 2 10.764 24.605 7.283 1.00 0.00 H new ATOM 0 HA SER A 2 12.557 24.921 4.980 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.033 26.868 6.415 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.170 25.834 7.824 1.00 0.00 H new ATOM 0 HG SER A 2 15.238 26.347 6.907 1.00 0.00 H new ATOM 19 N SER A 3 13.224 22.599 5.468 1.00 0.00 N ATOM 20 CA SER A 3 13.670 21.234 5.717 1.00 0.00 C ATOM 21 C SER A 3 12.658 20.479 6.574 1.00 0.00 C ATOM 22 O SER A 3 13.028 19.736 7.482 1.00 0.00 O ATOM 23 CB SER A 3 15.036 21.238 6.407 1.00 0.00 C ATOM 24 OG SER A 3 16.087 21.263 5.456 1.00 0.00 O ATOM 0 H SER A 3 13.178 22.854 4.482 1.00 0.00 H new ATOM 0 HA SER A 3 13.757 20.727 4.756 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.113 22.105 7.062 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.132 20.353 7.037 1.00 0.00 H new ATOM 0 HG SER A 3 16.949 21.267 5.922 1.00 0.00 H new ATOM 30 N GLY A 4 11.377 20.677 6.277 1.00 0.00 N ATOM 31 CA GLY A 4 10.330 20.009 7.028 1.00 0.00 C ATOM 32 C GLY A 4 8.972 20.133 6.366 1.00 0.00 C ATOM 33 O GLY A 4 7.996 20.526 7.005 1.00 0.00 O ATOM 0 H GLY A 4 11.046 21.288 5.530 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.582 18.954 7.138 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.281 20.431 8.032 1.00 0.00 H new ATOM 37 N SER A 5 8.909 19.800 5.081 1.00 0.00 N ATOM 38 CA SER A 5 7.662 19.882 4.330 1.00 0.00 C ATOM 39 C SER A 5 6.930 18.543 4.345 1.00 0.00 C ATOM 40 O SER A 5 7.548 17.484 4.235 1.00 0.00 O ATOM 41 CB SER A 5 7.937 20.309 2.887 1.00 0.00 C ATOM 42 OG SER A 5 8.482 21.616 2.837 1.00 0.00 O ATOM 0 H SER A 5 9.707 19.471 4.538 1.00 0.00 H new ATOM 0 HA SER A 5 7.028 20.629 4.808 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.628 19.606 2.422 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.012 20.275 2.312 1.00 0.00 H new ATOM 0 HG SER A 5 8.650 21.865 1.904 1.00 0.00 H new ATOM 48 N SER A 6 5.609 18.599 4.483 1.00 0.00 N ATOM 49 CA SER A 6 4.792 17.392 4.516 1.00 0.00 C ATOM 50 C SER A 6 3.854 17.337 3.315 1.00 0.00 C ATOM 51 O SER A 6 3.194 18.322 2.983 1.00 0.00 O ATOM 52 CB SER A 6 3.983 17.335 5.813 1.00 0.00 C ATOM 53 OG SER A 6 3.033 18.385 5.868 1.00 0.00 O ATOM 0 H SER A 6 5.082 19.468 4.574 1.00 0.00 H new ATOM 0 HA SER A 6 5.458 16.530 4.473 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.473 16.375 5.885 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.655 17.404 6.668 1.00 0.00 H new ATOM 0 HG SER A 6 2.528 18.325 6.706 1.00 0.00 H new ATOM 59 N GLY A 7 3.799 16.178 2.666 1.00 0.00 N ATOM 60 CA GLY A 7 2.939 16.015 1.508 1.00 0.00 C ATOM 61 C GLY A 7 1.635 15.321 1.848 1.00 0.00 C ATOM 62 O GLY A 7 1.115 15.470 2.953 1.00 0.00 O ATOM 0 H GLY A 7 4.335 15.349 2.922 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.725 16.993 1.078 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.465 15.440 0.746 1.00 0.00 H new ATOM 66 N GLU A 8 1.105 14.562 0.894 1.00 0.00 N ATOM 67 CA GLU A 8 -0.148 13.845 1.098 1.00 0.00 C ATOM 68 C GLU A 8 0.018 12.360 0.789 1.00 0.00 C ATOM 69 O GLU A 8 0.892 11.953 0.022 1.00 0.00 O ATOM 70 CB GLU A 8 -1.250 14.439 0.219 1.00 0.00 C ATOM 71 CG GLU A 8 -1.710 15.817 0.667 1.00 0.00 C ATOM 72 CD GLU A 8 -2.442 15.784 1.994 1.00 0.00 C ATOM 73 OE1 GLU A 8 -1.773 15.634 3.038 1.00 0.00 O ATOM 74 OE2 GLU A 8 -3.685 15.910 1.988 1.00 0.00 O ATOM 0 H GLU A 8 1.523 14.428 -0.027 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.431 13.951 2.145 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.890 14.502 -0.808 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.105 13.763 0.216 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -0.845 16.476 0.749 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.364 16.243 -0.094 1.00 0.00 H new ATOM 81 N PRO A 9 -0.839 11.529 1.399 1.00 0.00 N ATOM 82 CA PRO A 9 -0.808 10.076 1.206 1.00 0.00 C ATOM 83 C PRO A 9 -1.256 9.668 -0.193 1.00 0.00 C ATOM 84 O PRO A 9 -2.093 10.333 -0.806 1.00 0.00 O ATOM 85 CB PRO A 9 -1.794 9.557 2.256 1.00 0.00 C ATOM 86 CG PRO A 9 -2.726 10.694 2.496 1.00 0.00 C ATOM 87 CD PRO A 9 -1.906 11.944 2.326 1.00 0.00 C ATOM 0 HA PRO A 9 0.199 9.672 1.311 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.328 8.677 1.897 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.280 9.266 3.172 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.557 10.673 1.791 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.156 10.642 3.496 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.499 12.761 1.916 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.500 12.291 3.276 1.00 0.00 H new ATOM 95 N ILE A 10 -0.695 8.572 -0.693 1.00 0.00 N ATOM 96 CA ILE A 10 -1.039 8.076 -2.020 1.00 0.00 C ATOM 97 C ILE A 10 -2.015 6.907 -1.933 1.00 0.00 C ATOM 98 O ILE A 10 -1.709 5.873 -1.340 1.00 0.00 O ATOM 99 CB ILE A 10 0.214 7.628 -2.796 1.00 0.00 C ATOM 100 CG1 ILE A 10 1.247 8.756 -2.833 1.00 0.00 C ATOM 101 CG2 ILE A 10 -0.162 7.199 -4.206 1.00 0.00 C ATOM 102 CD1 ILE A 10 2.664 8.270 -3.042 1.00 0.00 C ATOM 0 H ILE A 10 -0.001 8.011 -0.200 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.510 8.901 -2.554 1.00 0.00 H new ATOM 0 HB ILE A 10 0.656 6.773 -2.283 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.987 9.449 -3.633 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.197 9.314 -1.898 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.734 6.885 -4.742 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.866 6.368 -4.158 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.624 8.036 -4.730 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.343 9.123 -3.058 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.942 7.600 -2.229 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.730 7.737 -3.990 1.00 0.00 H new ATOM 114 N GLU A 11 -3.190 7.078 -2.531 1.00 0.00 N ATOM 115 CA GLU A 11 -4.210 6.036 -2.522 1.00 0.00 C ATOM 116 C GLU A 11 -3.916 4.978 -3.581 1.00 0.00 C ATOM 117 O GLU A 11 -3.897 5.269 -4.777 1.00 0.00 O ATOM 118 CB GLU A 11 -5.593 6.644 -2.763 1.00 0.00 C ATOM 119 CG GLU A 11 -6.306 7.059 -1.487 1.00 0.00 C ATOM 120 CD GLU A 11 -7.492 7.967 -1.750 1.00 0.00 C ATOM 121 OE1 GLU A 11 -8.604 7.441 -1.967 1.00 0.00 O ATOM 122 OE2 GLU A 11 -7.308 9.202 -1.740 1.00 0.00 O ATOM 0 H GLU A 11 -3.459 7.928 -3.027 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.197 5.558 -1.542 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.490 7.514 -3.411 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.211 5.921 -3.296 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.645 6.168 -0.959 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.601 7.569 -0.831 1.00 0.00 H new ATOM 129 N ALA A 12 -3.686 3.748 -3.132 1.00 0.00 N ATOM 130 CA ALA A 12 -3.394 2.645 -4.040 1.00 0.00 C ATOM 131 C ALA A 12 -4.485 1.581 -3.979 1.00 0.00 C ATOM 132 O ALA A 12 -5.334 1.599 -3.087 1.00 0.00 O ATOM 133 CB ALA A 12 -2.040 2.036 -3.711 1.00 0.00 C ATOM 0 H ALA A 12 -3.696 3.490 -2.145 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.365 3.040 -5.056 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.835 1.214 -4.396 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.265 2.796 -3.813 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.049 1.662 -2.687 1.00 0.00 H new ATOM 139 N ILE A 13 -4.456 0.656 -4.933 1.00 0.00 N ATOM 140 CA ILE A 13 -5.442 -0.416 -4.987 1.00 0.00 C ATOM 141 C ILE A 13 -4.771 -1.784 -4.918 1.00 0.00 C ATOM 142 O ILE A 13 -3.712 -1.997 -5.507 1.00 0.00 O ATOM 143 CB ILE A 13 -6.290 -0.337 -6.270 1.00 0.00 C ATOM 144 CG1 ILE A 13 -6.967 1.031 -6.376 1.00 0.00 C ATOM 145 CG2 ILE A 13 -7.327 -1.450 -6.288 1.00 0.00 C ATOM 146 CD1 ILE A 13 -7.944 1.311 -5.256 1.00 0.00 C ATOM 0 H ILE A 13 -3.761 0.628 -5.679 1.00 0.00 H new ATOM 0 HA ILE A 13 -6.093 -0.289 -4.122 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.634 -0.464 -7.131 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.201 1.807 -6.381 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.492 1.095 -7.329 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -7.919 -1.381 -7.201 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.824 -2.416 -6.254 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -7.982 -1.351 -5.423 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -8.385 2.298 -5.396 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.731 0.557 -5.263 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.421 1.280 -4.300 1.00 0.00 H new ATOM 158 N ALA A 14 -5.396 -2.707 -4.195 1.00 0.00 N ATOM 159 CA ALA A 14 -4.862 -4.056 -4.052 1.00 0.00 C ATOM 160 C ALA A 14 -5.143 -4.892 -5.296 1.00 0.00 C ATOM 161 O ALA A 14 -6.298 -5.118 -5.659 1.00 0.00 O ATOM 162 CB ALA A 14 -5.449 -4.728 -2.819 1.00 0.00 C ATOM 0 H ALA A 14 -6.273 -2.545 -3.699 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.781 -3.982 -3.932 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.042 -5.735 -2.725 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.193 -4.148 -1.932 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.533 -4.783 -2.916 1.00 0.00 H new ATOM 168 N LYS A 15 -4.079 -5.350 -5.948 1.00 0.00 N ATOM 169 CA LYS A 15 -4.209 -6.162 -7.152 1.00 0.00 C ATOM 170 C LYS A 15 -4.712 -7.561 -6.812 1.00 0.00 C ATOM 171 O LYS A 15 -5.558 -8.115 -7.514 1.00 0.00 O ATOM 172 CB LYS A 15 -2.866 -6.253 -7.879 1.00 0.00 C ATOM 173 CG LYS A 15 -2.669 -5.175 -8.931 1.00 0.00 C ATOM 174 CD LYS A 15 -1.708 -5.626 -10.018 1.00 0.00 C ATOM 175 CE LYS A 15 -0.260 -5.392 -9.615 1.00 0.00 C ATOM 176 NZ LYS A 15 0.678 -6.250 -10.391 1.00 0.00 N ATOM 0 H LYS A 15 -3.116 -5.172 -5.662 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.937 -5.683 -7.807 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.061 -6.186 -7.147 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.785 -7.231 -8.353 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.631 -4.920 -9.377 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.287 -4.270 -8.459 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.862 -6.685 -10.225 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.922 -5.086 -10.941 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.005 -4.344 -9.769 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.142 -5.595 -8.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.654 -6.061 -10.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.451 -7.251 -10.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.584 -6.038 -11.405 1.00 0.00 H new ATOM 190 N PHE A 16 -4.186 -8.127 -5.731 1.00 0.00 N ATOM 191 CA PHE A 16 -4.582 -9.463 -5.298 1.00 0.00 C ATOM 192 C PHE A 16 -4.654 -9.541 -3.776 1.00 0.00 C ATOM 193 O PHE A 16 -3.853 -8.926 -3.073 1.00 0.00 O ATOM 194 CB PHE A 16 -3.597 -10.506 -5.828 1.00 0.00 C ATOM 195 CG PHE A 16 -3.020 -10.160 -7.171 1.00 0.00 C ATOM 196 CD1 PHE A 16 -3.671 -10.533 -8.336 1.00 0.00 C ATOM 197 CD2 PHE A 16 -1.829 -9.460 -7.268 1.00 0.00 C ATOM 198 CE1 PHE A 16 -3.142 -10.215 -9.573 1.00 0.00 C ATOM 199 CE2 PHE A 16 -1.295 -9.139 -8.502 1.00 0.00 C ATOM 200 CZ PHE A 16 -1.954 -9.517 -9.656 1.00 0.00 C ATOM 0 H PHE A 16 -3.485 -7.682 -5.139 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.573 -9.671 -5.702 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.784 -10.623 -5.112 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.102 -11.469 -5.896 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.602 -11.078 -8.277 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.311 -9.161 -6.369 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.658 -10.513 -10.474 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.365 -8.594 -8.564 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.540 -9.267 -10.622 1.00 0.00 H new ATOM 210 N ASP A 17 -5.621 -10.303 -3.274 1.00 0.00 N ATOM 211 CA ASP A 17 -5.799 -10.463 -1.836 1.00 0.00 C ATOM 212 C ASP A 17 -4.507 -10.938 -1.178 1.00 0.00 C ATOM 213 O ASP A 17 -4.106 -12.091 -1.335 1.00 0.00 O ATOM 214 CB ASP A 17 -6.927 -11.456 -1.548 1.00 0.00 C ATOM 215 CG ASP A 17 -6.744 -12.769 -2.282 1.00 0.00 C ATOM 216 OD1 ASP A 17 -7.141 -12.849 -3.463 1.00 0.00 O ATOM 217 OD2 ASP A 17 -6.204 -13.718 -1.675 1.00 0.00 O ATOM 0 H ASP A 17 -6.293 -10.819 -3.842 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.064 -9.492 -1.417 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -6.975 -11.646 -0.476 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.880 -11.012 -1.836 1.00 0.00 H new ATOM 222 N TYR A 18 -3.859 -10.041 -0.443 1.00 0.00 N ATOM 223 CA TYR A 18 -2.611 -10.366 0.236 1.00 0.00 C ATOM 224 C TYR A 18 -2.817 -10.453 1.745 1.00 0.00 C ATOM 225 O TYR A 18 -3.729 -9.835 2.295 1.00 0.00 O ATOM 226 CB TYR A 18 -1.543 -9.319 -0.085 1.00 0.00 C ATOM 227 CG TYR A 18 -0.165 -9.687 0.415 1.00 0.00 C ATOM 228 CD1 TYR A 18 0.230 -9.383 1.712 1.00 0.00 C ATOM 229 CD2 TYR A 18 0.744 -10.339 -0.410 1.00 0.00 C ATOM 230 CE1 TYR A 18 1.489 -9.717 2.172 1.00 0.00 C ATOM 231 CE2 TYR A 18 2.004 -10.678 0.042 1.00 0.00 C ATOM 232 CZ TYR A 18 2.372 -10.364 1.334 1.00 0.00 C ATOM 233 OH TYR A 18 3.627 -10.699 1.789 1.00 0.00 O ATOM 0 H TYR A 18 -4.178 -9.082 -0.302 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.276 -11.339 -0.123 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.502 -9.173 -1.164 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.837 -8.366 0.354 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.459 -8.877 2.372 1.00 0.00 H new ATOM 0 HD2 TYR A 18 0.460 -10.585 -1.423 1.00 0.00 H new ATOM 0 HE1 TYR A 18 1.780 -9.473 3.183 1.00 0.00 H new ATOM 0 HE2 TYR A 18 2.697 -11.186 -0.612 1.00 0.00 H new ATOM 0 HH TYR A 18 3.773 -10.298 2.671 1.00 0.00 H new ATOM 243 N VAL A 19 -1.963 -11.225 2.409 1.00 0.00 N ATOM 244 CA VAL A 19 -2.049 -11.392 3.855 1.00 0.00 C ATOM 245 C VAL A 19 -0.692 -11.180 4.515 1.00 0.00 C ATOM 246 O VAL A 19 0.271 -11.887 4.221 1.00 0.00 O ATOM 247 CB VAL A 19 -2.575 -12.791 4.228 1.00 0.00 C ATOM 248 CG1 VAL A 19 -1.688 -13.872 3.629 1.00 0.00 C ATOM 249 CG2 VAL A 19 -2.666 -12.941 5.739 1.00 0.00 C ATOM 0 H VAL A 19 -1.204 -11.745 1.969 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.748 -10.639 4.219 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.577 -12.906 3.814 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.075 -14.853 3.903 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.680 -13.775 2.543 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.673 -13.763 4.011 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.039 -13.935 5.984 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.678 -12.806 6.178 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.346 -12.189 6.139 1.00 0.00 H new ATOM 259 N GLY A 20 -0.622 -10.199 5.410 1.00 0.00 N ATOM 260 CA GLY A 20 0.623 -9.910 6.098 1.00 0.00 C ATOM 261 C GLY A 20 1.242 -11.146 6.720 1.00 0.00 C ATOM 262 O GLY A 20 0.829 -11.582 7.794 1.00 0.00 O ATOM 0 H GLY A 20 -1.405 -9.599 5.671 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.329 -9.468 5.395 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.441 -9.168 6.875 1.00 0.00 H new ATOM 266 N ARG A 21 2.234 -11.714 6.041 1.00 0.00 N ATOM 267 CA ARG A 21 2.910 -12.909 6.532 1.00 0.00 C ATOM 268 C ARG A 21 3.391 -12.711 7.966 1.00 0.00 C ATOM 269 O ARG A 21 3.338 -13.631 8.783 1.00 0.00 O ATOM 270 CB ARG A 21 4.094 -13.259 5.629 1.00 0.00 C ATOM 271 CG ARG A 21 3.735 -14.201 4.491 1.00 0.00 C ATOM 272 CD ARG A 21 3.919 -15.656 4.894 1.00 0.00 C ATOM 273 NE ARG A 21 5.329 -16.034 4.950 1.00 0.00 N ATOM 274 CZ ARG A 21 5.758 -17.286 4.848 1.00 0.00 C ATOM 275 NH1 ARG A 21 4.892 -18.277 4.685 1.00 0.00 N ATOM 276 NH2 ARG A 21 7.057 -17.551 4.909 1.00 0.00 N ATOM 0 H ARG A 21 2.587 -11.366 5.150 1.00 0.00 H new ATOM 0 HA ARG A 21 2.195 -13.732 6.517 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.506 -12.340 5.212 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.878 -13.715 6.233 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.701 -14.033 4.191 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.358 -13.981 3.624 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.460 -15.823 5.868 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.400 -16.298 4.182 1.00 0.00 H new ATOM 0 HE ARG A 21 6.022 -15.296 5.074 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.893 -18.078 4.638 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.225 -19.238 4.607 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.727 -16.792 5.034 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.385 -18.514 4.831 1.00 0.00 H new ATOM 290 N THR A 22 3.862 -11.505 8.266 1.00 0.00 N ATOM 291 CA THR A 22 4.355 -11.186 9.600 1.00 0.00 C ATOM 292 C THR A 22 3.657 -9.954 10.165 1.00 0.00 C ATOM 293 O THR A 22 2.896 -9.286 9.466 1.00 0.00 O ATOM 294 CB THR A 22 5.876 -10.943 9.594 1.00 0.00 C ATOM 295 OG1 THR A 22 6.188 -9.812 8.774 1.00 0.00 O ATOM 296 CG2 THR A 22 6.618 -12.168 9.081 1.00 0.00 C ATOM 0 H THR A 22 3.912 -10.732 7.602 1.00 0.00 H new ATOM 0 HA THR A 22 4.135 -12.046 10.232 1.00 0.00 H new ATOM 0 HB THR A 22 6.194 -10.748 10.618 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.157 -9.663 8.777 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.690 -11.972 9.086 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.402 -13.021 9.725 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.294 -12.390 8.064 1.00 0.00 H new ATOM 304 N ALA A 23 3.922 -9.659 11.433 1.00 0.00 N ATOM 305 CA ALA A 23 3.321 -8.505 12.090 1.00 0.00 C ATOM 306 C ALA A 23 3.612 -7.221 11.319 1.00 0.00 C ATOM 307 O ALA A 23 2.765 -6.332 11.235 1.00 0.00 O ATOM 308 CB ALA A 23 3.827 -8.390 13.520 1.00 0.00 C ATOM 0 H ALA A 23 4.549 -10.203 12.026 1.00 0.00 H new ATOM 0 HA ALA A 23 2.241 -8.650 12.109 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.370 -7.524 13.999 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.563 -9.292 14.073 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.911 -8.272 13.514 1.00 0.00 H new ATOM 314 N ARG A 24 4.813 -7.132 10.759 1.00 0.00 N ATOM 315 CA ARG A 24 5.216 -5.956 9.997 1.00 0.00 C ATOM 316 C ARG A 24 4.326 -5.772 8.772 1.00 0.00 C ATOM 317 O ARG A 24 3.795 -4.687 8.537 1.00 0.00 O ATOM 318 CB ARG A 24 6.678 -6.078 9.565 1.00 0.00 C ATOM 319 CG ARG A 24 7.669 -5.767 10.675 1.00 0.00 C ATOM 320 CD ARG A 24 8.962 -5.188 10.121 1.00 0.00 C ATOM 321 NE ARG A 24 10.067 -5.314 11.067 1.00 0.00 N ATOM 322 CZ ARG A 24 10.139 -4.639 12.208 1.00 0.00 C ATOM 323 NH1 ARG A 24 9.173 -3.794 12.544 1.00 0.00 N ATOM 324 NH2 ARG A 24 11.177 -4.808 13.017 1.00 0.00 N ATOM 0 H ARG A 24 5.525 -7.860 10.818 1.00 0.00 H new ATOM 0 HA ARG A 24 5.106 -5.082 10.639 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.858 -7.090 9.202 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.858 -5.403 8.729 1.00 0.00 H new ATOM 0 HG2 ARG A 24 7.223 -5.060 11.375 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.887 -6.676 11.235 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.219 -5.698 9.193 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.813 -4.136 9.876 1.00 0.00 H new ATOM 0 HE ARG A 24 10.826 -5.956 10.839 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.373 -3.662 11.925 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.230 -3.276 13.421 1.00 0.00 H new ATOM 0 HH21 ARG A 24 11.921 -5.457 12.763 1.00 0.00 H new ATOM 0 HH22 ARG A 24 11.231 -4.289 13.893 1.00 0.00 H new ATOM 338 N GLU A 25 4.168 -6.839 7.995 1.00 0.00 N ATOM 339 CA GLU A 25 3.344 -6.793 6.793 1.00 0.00 C ATOM 340 C GLU A 25 1.870 -6.618 7.151 1.00 0.00 C ATOM 341 O GLU A 25 1.457 -6.891 8.278 1.00 0.00 O ATOM 342 CB GLU A 25 3.532 -8.069 5.970 1.00 0.00 C ATOM 343 CG GLU A 25 4.932 -8.225 5.400 1.00 0.00 C ATOM 344 CD GLU A 25 5.238 -9.652 4.987 1.00 0.00 C ATOM 345 OE1 GLU A 25 4.378 -10.276 4.331 1.00 0.00 O ATOM 346 OE2 GLU A 25 6.337 -10.143 5.320 1.00 0.00 O ATOM 0 H GLU A 25 4.600 -7.745 8.176 1.00 0.00 H new ATOM 0 HA GLU A 25 3.661 -5.936 6.198 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.306 -8.932 6.596 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.813 -8.072 5.151 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.044 -7.569 4.537 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.661 -7.901 6.143 1.00 0.00 H new ATOM 353 N LEU A 26 1.083 -6.161 6.183 1.00 0.00 N ATOM 354 CA LEU A 26 -0.344 -5.949 6.394 1.00 0.00 C ATOM 355 C LEU A 26 -1.170 -6.920 5.556 1.00 0.00 C ATOM 356 O LEU A 26 -0.752 -7.330 4.473 1.00 0.00 O ATOM 357 CB LEU A 26 -0.723 -4.508 6.046 1.00 0.00 C ATOM 358 CG LEU A 26 0.034 -3.414 6.801 1.00 0.00 C ATOM 359 CD1 LEU A 26 -0.291 -2.045 6.226 1.00 0.00 C ATOM 360 CD2 LEU A 26 -0.298 -3.464 8.286 1.00 0.00 C ATOM 0 H LEU A 26 1.409 -5.930 5.245 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.561 -6.132 7.447 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.566 -4.360 4.978 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.789 -4.379 6.232 1.00 0.00 H new ATOM 0 HG LEU A 26 1.103 -3.590 6.682 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.257 -1.280 6.776 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.002 -2.014 5.175 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.361 -1.858 6.314 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.249 -2.679 8.808 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.369 -3.314 8.425 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.013 -4.435 8.690 1.00 0.00 H new ATOM 372 N SER A 27 -2.344 -7.281 6.062 1.00 0.00 N ATOM 373 CA SER A 27 -3.227 -8.205 5.361 1.00 0.00 C ATOM 374 C SER A 27 -4.424 -7.467 4.767 1.00 0.00 C ATOM 375 O SER A 27 -5.220 -6.869 5.490 1.00 0.00 O ATOM 376 CB SER A 27 -3.711 -9.302 6.311 1.00 0.00 C ATOM 377 OG SER A 27 -4.653 -8.794 7.240 1.00 0.00 O ATOM 0 H SER A 27 -2.706 -6.948 6.955 1.00 0.00 H new ATOM 0 HA SER A 27 -2.663 -8.662 4.548 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.162 -10.111 5.737 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.861 -9.726 6.845 1.00 0.00 H new ATOM 0 HG SER A 27 -5.003 -7.938 6.916 1.00 0.00 H new ATOM 383 N PHE A 28 -4.543 -7.515 3.444 1.00 0.00 N ATOM 384 CA PHE A 28 -5.641 -6.851 2.751 1.00 0.00 C ATOM 385 C PHE A 28 -6.241 -7.762 1.685 1.00 0.00 C ATOM 386 O PHE A 28 -5.652 -8.779 1.317 1.00 0.00 O ATOM 387 CB PHE A 28 -5.155 -5.549 2.111 1.00 0.00 C ATOM 388 CG PHE A 28 -3.894 -5.709 1.310 1.00 0.00 C ATOM 389 CD1 PHE A 28 -3.932 -6.246 0.033 1.00 0.00 C ATOM 390 CD2 PHE A 28 -2.671 -5.323 1.835 1.00 0.00 C ATOM 391 CE1 PHE A 28 -2.774 -6.394 -0.706 1.00 0.00 C ATOM 392 CE2 PHE A 28 -1.510 -5.469 1.100 1.00 0.00 C ATOM 393 CZ PHE A 28 -1.561 -6.006 -0.172 1.00 0.00 C ATOM 0 H PHE A 28 -3.893 -8.007 2.831 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.414 -6.621 3.484 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.940 -5.157 1.464 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.987 -4.809 2.894 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.878 -6.552 -0.389 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.625 -4.904 2.829 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.817 -6.813 -1.701 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.563 -5.163 1.520 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.654 -6.122 -0.747 1.00 0.00 H new ATOM 403 N LYS A 29 -7.418 -7.391 1.192 1.00 0.00 N ATOM 404 CA LYS A 29 -8.100 -8.173 0.168 1.00 0.00 C ATOM 405 C LYS A 29 -8.171 -7.403 -1.147 1.00 0.00 C ATOM 406 O LYS A 29 -8.395 -6.192 -1.158 1.00 0.00 O ATOM 407 CB LYS A 29 -9.511 -8.540 0.633 1.00 0.00 C ATOM 408 CG LYS A 29 -9.543 -9.264 1.967 1.00 0.00 C ATOM 409 CD LYS A 29 -9.445 -10.770 1.788 1.00 0.00 C ATOM 410 CE LYS A 29 -10.820 -11.404 1.639 1.00 0.00 C ATOM 411 NZ LYS A 29 -11.494 -10.977 0.382 1.00 0.00 N ATOM 0 H LYS A 29 -7.920 -6.553 1.486 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.529 -9.087 0.003 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.108 -7.631 0.708 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.982 -9.168 -0.123 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.719 -8.917 2.590 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.466 -9.019 2.493 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.842 -10.994 0.908 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.933 -11.207 2.645 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.722 -12.490 1.648 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.440 -11.133 2.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.287 -11.618 0.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.853 -10.007 0.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.814 -11.007 -0.404 1.00 0.00 H new ATOM 425 N LYS A 30 -7.980 -8.112 -2.254 1.00 0.00 N ATOM 426 CA LYS A 30 -8.025 -7.496 -3.575 1.00 0.00 C ATOM 427 C LYS A 30 -9.142 -6.461 -3.655 1.00 0.00 C ATOM 428 O LYS A 30 -10.268 -6.714 -3.228 1.00 0.00 O ATOM 429 CB LYS A 30 -8.227 -8.565 -4.652 1.00 0.00 C ATOM 430 CG LYS A 30 -8.256 -8.007 -6.064 1.00 0.00 C ATOM 431 CD LYS A 30 -8.514 -9.099 -7.089 1.00 0.00 C ATOM 432 CE LYS A 30 -9.151 -8.538 -8.351 1.00 0.00 C ATOM 433 NZ LYS A 30 -9.555 -9.617 -9.295 1.00 0.00 N ATOM 0 H LYS A 30 -7.792 -9.115 -2.263 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.074 -6.992 -3.746 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.426 -9.300 -4.577 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.162 -9.091 -4.459 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.032 -7.245 -6.139 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.307 -7.518 -6.283 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.575 -9.592 -7.342 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.166 -9.858 -6.657 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.025 -7.944 -8.084 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.448 -7.867 -8.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.985 -9.194 -10.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -8.718 -10.169 -9.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.245 -10.243 -8.832 1.00 0.00 H new ATOM 447 N GLY A 31 -8.824 -5.294 -4.207 1.00 0.00 N ATOM 448 CA GLY A 31 -9.812 -4.239 -4.335 1.00 0.00 C ATOM 449 C GLY A 31 -9.822 -3.306 -3.140 1.00 0.00 C ATOM 450 O GLY A 31 -10.121 -2.120 -3.273 1.00 0.00 O ATOM 0 H GLY A 31 -7.899 -5.060 -4.568 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.610 -3.664 -5.239 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.800 -4.683 -4.453 1.00 0.00 H new ATOM 454 N ALA A 32 -9.494 -3.843 -1.969 1.00 0.00 N ATOM 455 CA ALA A 32 -9.466 -3.050 -0.747 1.00 0.00 C ATOM 456 C ALA A 32 -8.577 -1.822 -0.909 1.00 0.00 C ATOM 457 O ALA A 32 -7.435 -1.925 -1.356 1.00 0.00 O ATOM 458 CB ALA A 32 -8.987 -3.899 0.422 1.00 0.00 C ATOM 0 H ALA A 32 -9.244 -4.824 -1.842 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.480 -2.708 -0.543 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.971 -3.294 1.329 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -9.664 -4.742 0.561 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -7.983 -4.270 0.215 1.00 0.00 H new ATOM 464 N SER A 33 -9.110 -0.660 -0.545 1.00 0.00 N ATOM 465 CA SER A 33 -8.366 0.590 -0.655 1.00 0.00 C ATOM 466 C SER A 33 -7.248 0.650 0.381 1.00 0.00 C ATOM 467 O SER A 33 -7.485 0.478 1.578 1.00 0.00 O ATOM 468 CB SER A 33 -9.305 1.784 -0.479 1.00 0.00 C ATOM 469 OG SER A 33 -8.635 3.004 -0.748 1.00 0.00 O ATOM 0 H SER A 33 -10.054 -0.558 -0.172 1.00 0.00 H new ATOM 0 HA SER A 33 -7.919 0.632 -1.648 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.160 1.680 -1.147 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.696 1.797 0.539 1.00 0.00 H new ATOM 0 HG SER A 33 -9.257 3.752 -0.630 1.00 0.00 H new ATOM 475 N LEU A 34 -6.029 0.894 -0.086 1.00 0.00 N ATOM 476 CA LEU A 34 -4.872 0.977 0.799 1.00 0.00 C ATOM 477 C LEU A 34 -4.204 2.344 0.695 1.00 0.00 C ATOM 478 O LEU A 34 -4.030 2.881 -0.401 1.00 0.00 O ATOM 479 CB LEU A 34 -3.865 -0.123 0.459 1.00 0.00 C ATOM 480 CG LEU A 34 -4.419 -1.547 0.408 1.00 0.00 C ATOM 481 CD1 LEU A 34 -3.554 -2.425 -0.483 1.00 0.00 C ATOM 482 CD2 LEU A 34 -4.512 -2.134 1.810 1.00 0.00 C ATOM 0 H LEU A 34 -5.816 1.038 -1.073 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.218 0.840 1.823 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.419 0.107 -0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.062 -0.093 1.195 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.422 -1.511 -0.017 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.964 -3.435 -0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.539 -2.015 -1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.538 -2.455 -0.088 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.908 -3.148 1.754 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.520 -2.156 2.262 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.174 -1.519 2.419 1.00 0.00 H new ATOM 494 N LEU A 35 -3.828 2.902 1.840 1.00 0.00 N ATOM 495 CA LEU A 35 -3.176 4.206 1.878 1.00 0.00 C ATOM 496 C LEU A 35 -1.660 4.055 1.969 1.00 0.00 C ATOM 497 O LEU A 35 -1.154 3.185 2.679 1.00 0.00 O ATOM 498 CB LEU A 35 -3.690 5.022 3.066 1.00 0.00 C ATOM 499 CG LEU A 35 -3.736 6.537 2.870 1.00 0.00 C ATOM 500 CD1 LEU A 35 -4.841 6.916 1.896 1.00 0.00 C ATOM 501 CD2 LEU A 35 -3.934 7.242 4.204 1.00 0.00 C ATOM 0 H LEU A 35 -3.963 2.472 2.755 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.416 4.731 0.953 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.695 4.677 3.311 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.060 4.806 3.929 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.783 6.858 2.450 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.859 7.998 1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.656 6.441 0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.802 6.581 2.287 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.964 8.320 4.045 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.872 6.915 4.653 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.108 6.997 4.871 1.00 0.00 H new ATOM 513 N LEU A 36 -0.942 4.908 1.248 1.00 0.00 N ATOM 514 CA LEU A 36 0.517 4.871 1.249 1.00 0.00 C ATOM 515 C LEU A 36 1.095 6.185 1.766 1.00 0.00 C ATOM 516 O LEU A 36 0.634 7.265 1.396 1.00 0.00 O ATOM 517 CB LEU A 36 1.040 4.590 -0.161 1.00 0.00 C ATOM 518 CG LEU A 36 0.424 3.389 -0.878 1.00 0.00 C ATOM 519 CD1 LEU A 36 1.101 3.165 -2.222 1.00 0.00 C ATOM 520 CD2 LEU A 36 0.526 2.141 -0.013 1.00 0.00 C ATOM 0 H LEU A 36 -1.345 5.634 0.655 1.00 0.00 H new ATOM 0 HA LEU A 36 0.835 4.069 1.915 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.874 5.477 -0.772 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.118 4.440 -0.104 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.631 3.598 -1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.649 2.306 -2.718 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.976 4.051 -2.845 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.164 2.978 -2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.082 1.296 -0.540 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.574 1.928 0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.006 2.304 0.925 1.00 0.00 H new ATOM 532 N TYR A 37 2.106 6.084 2.620 1.00 0.00 N ATOM 533 CA TYR A 37 2.747 7.265 3.188 1.00 0.00 C ATOM 534 C TYR A 37 4.140 7.465 2.598 1.00 0.00 C ATOM 535 O TYR A 37 4.510 8.575 2.218 1.00 0.00 O ATOM 536 CB TYR A 37 2.839 7.138 4.710 1.00 0.00 C ATOM 537 CG TYR A 37 1.496 6.979 5.386 1.00 0.00 C ATOM 538 CD1 TYR A 37 0.443 7.837 5.094 1.00 0.00 C ATOM 539 CD2 TYR A 37 1.281 5.971 6.318 1.00 0.00 C ATOM 540 CE1 TYR A 37 -0.785 7.696 5.710 1.00 0.00 C ATOM 541 CE2 TYR A 37 0.055 5.821 6.938 1.00 0.00 C ATOM 542 CZ TYR A 37 -0.975 6.686 6.631 1.00 0.00 C ATOM 543 OH TYR A 37 -2.196 6.541 7.247 1.00 0.00 O ATOM 0 H TYR A 37 2.500 5.197 2.935 1.00 0.00 H new ATOM 0 HA TYR A 37 2.138 8.134 2.938 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.465 6.281 4.958 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.336 8.022 5.111 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.587 8.628 4.373 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.086 5.293 6.562 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.592 8.373 5.472 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.096 5.031 7.659 1.00 0.00 H new ATOM 0 HH TYR A 37 -2.729 7.352 7.112 1.00 0.00 H new ATOM 553 N GLN A 38 4.906 6.382 2.526 1.00 0.00 N ATOM 554 CA GLN A 38 6.258 6.438 1.983 1.00 0.00 C ATOM 555 C GLN A 38 6.727 5.054 1.547 1.00 0.00 C ATOM 556 O GLN A 38 6.376 4.046 2.161 1.00 0.00 O ATOM 557 CB GLN A 38 7.224 7.013 3.020 1.00 0.00 C ATOM 558 CG GLN A 38 7.036 6.435 4.413 1.00 0.00 C ATOM 559 CD GLN A 38 7.770 7.226 5.477 1.00 0.00 C ATOM 560 OE1 GLN A 38 8.997 7.329 5.456 1.00 0.00 O ATOM 561 NE2 GLN A 38 7.021 7.791 6.417 1.00 0.00 N ATOM 0 H GLN A 38 4.614 5.455 2.837 1.00 0.00 H new ATOM 0 HA GLN A 38 6.244 7.089 1.109 1.00 0.00 H new ATOM 0 HB2 GLN A 38 8.247 6.827 2.694 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.095 8.094 3.064 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.973 6.411 4.652 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.388 5.404 4.425 1.00 0.00 H new ATOM 0 HE21 GLN A 38 6.007 7.680 6.396 1.00 0.00 H new ATOM 0 HE22 GLN A 38 7.460 8.336 7.160 1.00 0.00 H new ATOM 570 N ARG A 39 7.523 5.012 0.483 1.00 0.00 N ATOM 571 CA ARG A 39 8.039 3.751 -0.036 1.00 0.00 C ATOM 572 C ARG A 39 9.148 3.207 0.861 1.00 0.00 C ATOM 573 O ARG A 39 10.296 3.643 0.778 1.00 0.00 O ATOM 574 CB ARG A 39 8.566 3.938 -1.460 1.00 0.00 C ATOM 575 CG ARG A 39 9.111 2.662 -2.081 1.00 0.00 C ATOM 576 CD ARG A 39 8.027 1.897 -2.823 1.00 0.00 C ATOM 577 NE ARG A 39 8.584 0.998 -3.830 1.00 0.00 N ATOM 578 CZ ARG A 39 8.951 1.392 -5.045 1.00 0.00 C ATOM 579 NH1 ARG A 39 8.821 2.663 -5.400 1.00 0.00 N ATOM 580 NH2 ARG A 39 9.449 0.514 -5.906 1.00 0.00 N ATOM 0 H ARG A 39 7.824 5.837 -0.036 1.00 0.00 H new ATOM 0 HA ARG A 39 7.221 3.031 -0.051 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.763 4.323 -2.088 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.353 4.692 -1.451 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.920 2.908 -2.769 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.536 2.029 -1.302 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.437 1.322 -2.110 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.349 2.603 -3.302 1.00 0.00 H new ATOM 0 HE ARG A 39 8.698 0.014 -3.588 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.439 3.340 -4.740 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.103 2.963 -6.333 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.550 -0.464 -5.636 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.730 0.817 -6.838 1.00 0.00 H new ATOM 594 N ALA A 40 8.795 2.254 1.717 1.00 0.00 N ATOM 595 CA ALA A 40 9.760 1.650 2.627 1.00 0.00 C ATOM 596 C ALA A 40 10.930 1.040 1.862 1.00 0.00 C ATOM 597 O ALA A 40 12.086 1.187 2.257 1.00 0.00 O ATOM 598 CB ALA A 40 9.083 0.594 3.489 1.00 0.00 C ATOM 0 H ALA A 40 7.848 1.884 1.799 1.00 0.00 H new ATOM 0 HA ALA A 40 10.153 2.435 3.274 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.815 0.151 4.164 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.286 1.056 4.071 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.662 -0.182 2.850 1.00 0.00 H new ATOM 604 N SER A 41 10.621 0.354 0.766 1.00 0.00 N ATOM 605 CA SER A 41 11.647 -0.283 -0.052 1.00 0.00 C ATOM 606 C SER A 41 11.165 -0.458 -1.488 1.00 0.00 C ATOM 607 O SER A 41 9.967 -0.388 -1.766 1.00 0.00 O ATOM 608 CB SER A 41 12.030 -1.641 0.539 1.00 0.00 C ATOM 609 OG SER A 41 13.279 -2.082 0.035 1.00 0.00 O ATOM 0 H SER A 41 9.669 0.225 0.424 1.00 0.00 H new ATOM 0 HA SER A 41 12.525 0.363 -0.058 1.00 0.00 H new ATOM 0 HB2 SER A 41 12.078 -1.568 1.625 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.259 -2.375 0.303 1.00 0.00 H new ATOM 0 HG SER A 41 13.502 -2.951 0.429 1.00 0.00 H new ATOM 615 N ASP A 42 12.106 -0.686 -2.398 1.00 0.00 N ATOM 616 CA ASP A 42 11.779 -0.872 -3.807 1.00 0.00 C ATOM 617 C ASP A 42 10.737 -1.973 -3.982 1.00 0.00 C ATOM 618 O ASP A 42 10.066 -2.048 -5.011 1.00 0.00 O ATOM 619 CB ASP A 42 13.038 -1.214 -4.604 1.00 0.00 C ATOM 620 CG ASP A 42 13.682 -2.507 -4.143 1.00 0.00 C ATOM 621 OD1 ASP A 42 14.247 -2.524 -3.029 1.00 0.00 O ATOM 622 OD2 ASP A 42 13.623 -3.501 -4.896 1.00 0.00 O ATOM 0 H ASP A 42 13.102 -0.746 -2.185 1.00 0.00 H new ATOM 0 HA ASP A 42 11.362 0.062 -4.184 1.00 0.00 H new ATOM 0 HB2 ASP A 42 12.785 -1.295 -5.661 1.00 0.00 H new ATOM 0 HB3 ASP A 42 13.757 -0.400 -4.510 1.00 0.00 H new ATOM 627 N ASP A 43 10.608 -2.824 -2.970 1.00 0.00 N ATOM 628 CA ASP A 43 9.648 -3.921 -3.012 1.00 0.00 C ATOM 629 C ASP A 43 8.741 -3.897 -1.785 1.00 0.00 C ATOM 630 O ASP A 43 8.177 -4.920 -1.398 1.00 0.00 O ATOM 631 CB ASP A 43 10.377 -5.263 -3.095 1.00 0.00 C ATOM 632 CG ASP A 43 10.694 -5.661 -4.524 1.00 0.00 C ATOM 633 OD1 ASP A 43 10.796 -4.761 -5.383 1.00 0.00 O ATOM 634 OD2 ASP A 43 10.840 -6.874 -4.782 1.00 0.00 O ATOM 0 H ASP A 43 11.156 -2.775 -2.111 1.00 0.00 H new ATOM 0 HA ASP A 43 9.030 -3.796 -3.901 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.303 -5.207 -2.522 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.763 -6.036 -2.633 1.00 0.00 H new ATOM 639 N TRP A 44 8.607 -2.723 -1.178 1.00 0.00 N ATOM 640 CA TRP A 44 7.770 -2.566 0.006 1.00 0.00 C ATOM 641 C TRP A 44 7.260 -1.134 0.125 1.00 0.00 C ATOM 642 O TRP A 44 7.772 -0.226 -0.529 1.00 0.00 O ATOM 643 CB TRP A 44 8.552 -2.948 1.263 1.00 0.00 C ATOM 644 CG TRP A 44 8.831 -4.417 1.365 1.00 0.00 C ATOM 645 CD1 TRP A 44 10.052 -5.027 1.296 1.00 0.00 C ATOM 646 CD2 TRP A 44 7.870 -5.461 1.553 1.00 0.00 C ATOM 647 NE1 TRP A 44 9.907 -6.386 1.429 1.00 0.00 N ATOM 648 CE2 TRP A 44 8.578 -6.679 1.589 1.00 0.00 C ATOM 649 CE3 TRP A 44 6.480 -5.486 1.697 1.00 0.00 C ATOM 650 CZ2 TRP A 44 7.941 -7.905 1.761 1.00 0.00 C ATOM 651 CZ3 TRP A 44 5.850 -6.704 1.867 1.00 0.00 C ATOM 652 CH2 TRP A 44 6.580 -7.900 1.899 1.00 0.00 C ATOM 0 H TRP A 44 9.067 -1.866 -1.486 1.00 0.00 H new ATOM 0 HA TRP A 44 6.912 -3.231 -0.095 1.00 0.00 H new ATOM 0 HB2 TRP A 44 9.497 -2.404 1.274 1.00 0.00 H new ATOM 0 HB3 TRP A 44 7.991 -2.630 2.142 1.00 0.00 H new ATOM 0 HD1 TRP A 44 10.993 -4.515 1.157 1.00 0.00 H new ATOM 0 HE1 TRP A 44 10.666 -7.067 1.412 1.00 0.00 H new ATOM 0 HE3 TRP A 44 5.909 -4.570 1.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 8.502 -8.828 1.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 4.776 -6.735 1.977 1.00 0.00 H new ATOM 0 HH2 TRP A 44 6.058 -8.836 2.035 1.00 0.00 H new ATOM 663 N TRP A 45 6.249 -0.940 0.965 1.00 0.00 N ATOM 664 CA TRP A 45 5.670 0.383 1.169 1.00 0.00 C ATOM 665 C TRP A 45 5.337 0.610 2.640 1.00 0.00 C ATOM 666 O TRP A 45 5.274 -0.336 3.424 1.00 0.00 O ATOM 667 CB TRP A 45 4.410 0.548 0.318 1.00 0.00 C ATOM 668 CG TRP A 45 4.700 0.889 -1.113 1.00 0.00 C ATOM 669 CD1 TRP A 45 4.982 0.014 -2.123 1.00 0.00 C ATOM 670 CD2 TRP A 45 4.740 2.198 -1.691 1.00 0.00 C ATOM 671 NE1 TRP A 45 5.194 0.701 -3.294 1.00 0.00 N ATOM 672 CE2 TRP A 45 5.050 2.042 -3.056 1.00 0.00 C ATOM 673 CE3 TRP A 45 4.541 3.487 -1.189 1.00 0.00 C ATOM 674 CZ2 TRP A 45 5.167 3.126 -3.921 1.00 0.00 C ATOM 675 CZ3 TRP A 45 4.657 4.562 -2.049 1.00 0.00 C ATOM 676 CH2 TRP A 45 4.967 4.377 -3.403 1.00 0.00 C ATOM 0 H TRP A 45 5.814 -1.681 1.515 1.00 0.00 H new ATOM 0 HA TRP A 45 6.407 1.126 0.863 1.00 0.00 H new ATOM 0 HB2 TRP A 45 3.832 -0.376 0.354 1.00 0.00 H new ATOM 0 HB3 TRP A 45 3.787 1.331 0.752 1.00 0.00 H new ATOM 0 HD1 TRP A 45 5.031 -1.060 -2.017 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.422 0.280 -4.195 1.00 0.00 H new ATOM 0 HE3 TRP A 45 4.301 3.640 -0.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 5.407 2.985 -4.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 4.506 5.562 -1.671 1.00 0.00 H new ATOM 0 HH2 TRP A 45 5.050 5.238 -4.050 1.00 0.00 H new ATOM 687 N GLU A 46 5.127 1.870 3.007 1.00 0.00 N ATOM 688 CA GLU A 46 4.801 2.220 4.385 1.00 0.00 C ATOM 689 C GLU A 46 3.497 3.009 4.453 1.00 0.00 C ATOM 690 O GLU A 46 3.474 4.213 4.203 1.00 0.00 O ATOM 691 CB GLU A 46 5.936 3.035 5.009 1.00 0.00 C ATOM 692 CG GLU A 46 7.276 2.318 5.000 1.00 0.00 C ATOM 693 CD GLU A 46 8.181 2.760 6.134 1.00 0.00 C ATOM 694 OE1 GLU A 46 8.891 3.773 5.965 1.00 0.00 O ATOM 695 OE2 GLU A 46 8.180 2.092 7.189 1.00 0.00 O ATOM 0 H GLU A 46 5.177 2.665 2.370 1.00 0.00 H new ATOM 0 HA GLU A 46 4.675 1.295 4.947 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.034 3.977 4.470 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.672 3.282 6.037 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.109 1.243 5.071 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.776 2.501 4.049 1.00 0.00 H new ATOM 702 N GLY A 47 2.412 2.319 4.792 1.00 0.00 N ATOM 703 CA GLY A 47 1.118 2.970 4.886 1.00 0.00 C ATOM 704 C GLY A 47 0.304 2.474 6.065 1.00 0.00 C ATOM 705 O GLY A 47 0.858 2.112 7.102 1.00 0.00 O ATOM 0 H GLY A 47 2.406 1.321 5.003 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.262 4.047 4.975 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.560 2.798 3.965 1.00 0.00 H new ATOM 709 N ARG A 48 -1.015 2.459 5.906 1.00 0.00 N ATOM 710 CA ARG A 48 -1.908 2.007 6.966 1.00 0.00 C ATOM 711 C ARG A 48 -3.067 1.197 6.393 1.00 0.00 C ATOM 712 O ARG A 48 -3.483 1.409 5.253 1.00 0.00 O ATOM 713 CB ARG A 48 -2.447 3.203 7.753 1.00 0.00 C ATOM 714 CG ARG A 48 -3.447 2.821 8.832 1.00 0.00 C ATOM 715 CD ARG A 48 -4.062 4.051 9.481 1.00 0.00 C ATOM 716 NE ARG A 48 -3.074 4.832 10.221 1.00 0.00 N ATOM 717 CZ ARG A 48 -3.227 6.116 10.522 1.00 0.00 C ATOM 718 NH1 ARG A 48 -4.324 6.762 10.148 1.00 0.00 N ATOM 719 NH2 ARG A 48 -2.283 6.758 11.198 1.00 0.00 N ATOM 0 H ARG A 48 -1.489 2.755 5.053 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.337 1.366 7.638 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.612 3.730 8.214 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -2.920 3.899 7.061 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.235 2.205 8.398 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -2.951 2.217 9.592 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.517 4.677 8.713 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.860 3.743 10.156 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.219 4.365 10.523 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.052 6.272 9.628 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -4.439 7.748 10.380 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -1.438 6.265 11.487 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -2.402 7.744 11.428 1.00 0.00 H new ATOM 733 N HIS A 49 -3.585 0.268 7.190 1.00 0.00 N ATOM 734 CA HIS A 49 -4.696 -0.574 6.762 1.00 0.00 C ATOM 735 C HIS A 49 -5.600 -0.922 7.942 1.00 0.00 C ATOM 736 O HIS A 49 -5.124 -1.331 9.000 1.00 0.00 O ATOM 737 CB HIS A 49 -4.173 -1.854 6.111 1.00 0.00 C ATOM 738 CG HIS A 49 -5.256 -2.807 5.707 1.00 0.00 C ATOM 739 ND1 HIS A 49 -5.487 -4.001 6.357 1.00 0.00 N ATOM 740 CD2 HIS A 49 -6.174 -2.735 4.715 1.00 0.00 C ATOM 741 CE1 HIS A 49 -6.500 -4.624 5.780 1.00 0.00 C ATOM 742 NE2 HIS A 49 -6.935 -3.876 4.782 1.00 0.00 N ATOM 0 H HIS A 49 -3.253 0.079 8.136 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.281 -0.016 6.030 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.586 -1.591 5.231 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -3.499 -2.356 6.806 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -6.287 -1.930 4.004 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -6.903 -5.582 6.074 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -7.711 -4.108 4.162 1.00 0.00 H new ATOM 751 N ASN A 50 -6.904 -0.756 7.751 1.00 0.00 N ATOM 752 CA ASN A 50 -7.874 -1.051 8.799 1.00 0.00 C ATOM 753 C ASN A 50 -7.329 -0.661 10.170 1.00 0.00 C ATOM 754 O ASN A 50 -7.532 -1.370 11.155 1.00 0.00 O ATOM 755 CB ASN A 50 -8.235 -2.538 8.785 1.00 0.00 C ATOM 756 CG ASN A 50 -9.005 -2.934 7.540 1.00 0.00 C ATOM 757 OD1 ASN A 50 -9.075 -2.176 6.573 1.00 0.00 O ATOM 758 ND2 ASN A 50 -9.589 -4.127 7.561 1.00 0.00 N ATOM 0 H ASN A 50 -7.314 -0.419 6.880 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.772 -0.464 8.604 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.323 -3.131 8.849 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -8.830 -2.773 9.667 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.122 -4.448 6.753 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -9.504 -4.722 8.385 1.00 0.00 H new ATOM 765 N GLY A 51 -6.635 0.471 10.225 1.00 0.00 N ATOM 766 CA GLY A 51 -6.071 0.936 11.479 1.00 0.00 C ATOM 767 C GLY A 51 -4.845 0.146 11.892 1.00 0.00 C ATOM 768 O GLY A 51 -4.631 -0.104 13.078 1.00 0.00 O ATOM 0 H GLY A 51 -6.453 1.075 9.423 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.806 1.989 11.386 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.826 0.865 12.262 1.00 0.00 H new ATOM 772 N ILE A 52 -4.041 -0.250 10.911 1.00 0.00 N ATOM 773 CA ILE A 52 -2.831 -1.017 11.180 1.00 0.00 C ATOM 774 C ILE A 52 -1.672 -0.538 10.311 1.00 0.00 C ATOM 775 O ILE A 52 -1.733 -0.609 9.083 1.00 0.00 O ATOM 776 CB ILE A 52 -3.052 -2.521 10.937 1.00 0.00 C ATOM 777 CG1 ILE A 52 -4.258 -3.017 11.737 1.00 0.00 C ATOM 778 CG2 ILE A 52 -1.804 -3.307 11.308 1.00 0.00 C ATOM 779 CD1 ILE A 52 -4.684 -4.424 11.380 1.00 0.00 C ATOM 0 H ILE A 52 -4.205 -0.053 9.924 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.585 -0.859 12.230 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.254 -2.677 9.877 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.020 -2.977 12.800 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.096 -2.340 11.573 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.976 -4.369 11.131 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.966 -2.969 10.698 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.574 -3.148 12.361 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.544 -4.709 11.986 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.954 -4.466 10.325 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.861 -5.113 11.571 1.00 0.00 H new ATOM 791 N ASP A 53 -0.617 -0.053 10.956 1.00 0.00 N ATOM 792 CA ASP A 53 0.557 0.435 10.243 1.00 0.00 C ATOM 793 C ASP A 53 1.574 -0.685 10.041 1.00 0.00 C ATOM 794 O ASP A 53 1.965 -1.361 10.992 1.00 0.00 O ATOM 795 CB ASP A 53 1.200 1.593 11.007 1.00 0.00 C ATOM 796 CG ASP A 53 2.066 1.118 12.157 1.00 0.00 C ATOM 797 OD1 ASP A 53 1.519 0.505 13.097 1.00 0.00 O ATOM 798 OD2 ASP A 53 3.291 1.360 12.118 1.00 0.00 O ATOM 0 H ASP A 53 -0.551 0.013 11.972 1.00 0.00 H new ATOM 0 HA ASP A 53 0.235 0.791 9.264 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.805 2.185 10.321 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.419 2.249 11.391 1.00 0.00 H new ATOM 803 N GLY A 54 1.999 -0.875 8.796 1.00 0.00 N ATOM 804 CA GLY A 54 2.965 -1.914 8.492 1.00 0.00 C ATOM 805 C GLY A 54 3.558 -1.766 7.104 1.00 0.00 C ATOM 806 O GLY A 54 3.629 -0.661 6.565 1.00 0.00 O ATOM 0 H GLY A 54 1.691 -0.328 7.992 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.766 -1.888 9.231 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.484 -2.889 8.576 1.00 0.00 H new ATOM 810 N LEU A 55 3.986 -2.882 6.524 1.00 0.00 N ATOM 811 CA LEU A 55 4.578 -2.873 5.191 1.00 0.00 C ATOM 812 C LEU A 55 3.588 -3.393 4.153 1.00 0.00 C ATOM 813 O LEU A 55 2.805 -4.302 4.429 1.00 0.00 O ATOM 814 CB LEU A 55 5.850 -3.721 5.170 1.00 0.00 C ATOM 815 CG LEU A 55 7.002 -3.226 6.044 1.00 0.00 C ATOM 816 CD1 LEU A 55 8.114 -4.261 6.100 1.00 0.00 C ATOM 817 CD2 LEU A 55 7.533 -1.898 5.524 1.00 0.00 C ATOM 0 H LEU A 55 3.934 -3.805 6.956 1.00 0.00 H new ATOM 0 HA LEU A 55 4.832 -1.843 4.940 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.593 -4.733 5.482 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.203 -3.785 4.141 1.00 0.00 H new ATOM 0 HG LEU A 55 6.625 -3.074 7.055 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.925 -3.890 6.727 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.726 -5.189 6.520 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.489 -4.447 5.094 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.353 -1.560 6.158 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.893 -2.025 4.503 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.734 -1.156 5.538 1.00 0.00 H new ATOM 829 N ILE A 56 3.632 -2.812 2.958 1.00 0.00 N ATOM 830 CA ILE A 56 2.742 -3.220 1.878 1.00 0.00 C ATOM 831 C ILE A 56 3.529 -3.573 0.621 1.00 0.00 C ATOM 832 O ILE A 56 4.394 -2.822 0.168 1.00 0.00 O ATOM 833 CB ILE A 56 1.725 -2.115 1.540 1.00 0.00 C ATOM 834 CG1 ILE A 56 0.869 -1.786 2.765 1.00 0.00 C ATOM 835 CG2 ILE A 56 0.847 -2.542 0.373 1.00 0.00 C ATOM 836 CD1 ILE A 56 0.294 -0.387 2.743 1.00 0.00 C ATOM 0 H ILE A 56 4.274 -2.058 2.714 1.00 0.00 H new ATOM 0 HA ILE A 56 2.205 -4.102 2.227 1.00 0.00 H new ATOM 0 HB ILE A 56 2.270 -1.217 1.250 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.052 -2.505 2.831 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.474 -1.907 3.664 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.133 -1.750 0.146 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.470 -2.730 -0.501 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.308 -3.452 0.637 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.301 -0.224 3.642 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.106 0.340 2.709 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.338 -0.267 1.863 1.00 0.00 H new ATOM 848 N PRO A 57 3.223 -4.743 0.040 1.00 0.00 N ATOM 849 CA PRO A 57 3.889 -5.222 -1.175 1.00 0.00 C ATOM 850 C PRO A 57 3.513 -4.401 -2.404 1.00 0.00 C ATOM 851 O PRO A 57 2.357 -4.008 -2.570 1.00 0.00 O ATOM 852 CB PRO A 57 3.381 -6.659 -1.315 1.00 0.00 C ATOM 853 CG PRO A 57 2.070 -6.668 -0.608 1.00 0.00 C ATOM 854 CD PRO A 57 2.204 -5.688 0.525 1.00 0.00 C ATOM 0 HA PRO A 57 4.974 -5.144 -1.103 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.268 -6.939 -2.362 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.076 -7.370 -0.869 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.262 -6.379 -1.280 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.834 -7.665 -0.236 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.259 -5.187 0.737 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.518 -6.179 1.446 1.00 0.00 H new ATOM 862 N HIS A 58 4.494 -4.146 -3.263 1.00 0.00 N ATOM 863 CA HIS A 58 4.265 -3.373 -4.478 1.00 0.00 C ATOM 864 C HIS A 58 3.852 -4.283 -5.631 1.00 0.00 C ATOM 865 O HIS A 58 3.479 -3.810 -6.704 1.00 0.00 O ATOM 866 CB HIS A 58 5.523 -2.591 -4.856 1.00 0.00 C ATOM 867 CG HIS A 58 5.369 -1.773 -6.101 1.00 0.00 C ATOM 868 ND1 HIS A 58 5.295 -0.396 -6.092 1.00 0.00 N ATOM 869 CD2 HIS A 58 5.277 -2.145 -7.399 1.00 0.00 C ATOM 870 CE1 HIS A 58 5.162 0.043 -7.331 1.00 0.00 C ATOM 871 NE2 HIS A 58 5.148 -0.998 -8.143 1.00 0.00 N ATOM 0 H HIS A 58 5.456 -4.463 -3.140 1.00 0.00 H new ATOM 0 HA HIS A 58 3.455 -2.670 -4.284 1.00 0.00 H new ATOM 0 HB2 HIS A 58 5.794 -1.933 -4.030 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.349 -3.290 -4.990 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.301 -3.156 -7.779 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.079 1.078 -7.629 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.056 -0.957 -9.158 1.00 0.00 H new ATOM 879 N GLN A 59 3.923 -5.590 -5.402 1.00 0.00 N ATOM 880 CA GLN A 59 3.558 -6.566 -6.423 1.00 0.00 C ATOM 881 C GLN A 59 2.082 -6.933 -6.321 1.00 0.00 C ATOM 882 O GLN A 59 1.497 -7.461 -7.267 1.00 0.00 O ATOM 883 CB GLN A 59 4.419 -7.823 -6.288 1.00 0.00 C ATOM 884 CG GLN A 59 5.887 -7.592 -6.609 1.00 0.00 C ATOM 885 CD GLN A 59 6.104 -7.106 -8.028 1.00 0.00 C ATOM 886 OE1 GLN A 59 5.350 -7.452 -8.938 1.00 0.00 O ATOM 887 NE2 GLN A 59 7.140 -6.299 -8.226 1.00 0.00 N ATOM 0 H GLN A 59 4.230 -5.998 -4.519 1.00 0.00 H new ATOM 0 HA GLN A 59 3.735 -6.116 -7.400 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.334 -8.204 -5.270 1.00 0.00 H new ATOM 0 HB3 GLN A 59 4.028 -8.594 -6.951 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.297 -6.861 -5.912 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.438 -8.520 -6.458 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.740 -6.037 -7.443 1.00 0.00 H new ATOM 0 HE22 GLN A 59 7.336 -5.941 -9.161 1.00 0.00 H new ATOM 896 N TYR A 60 1.484 -6.650 -5.169 1.00 0.00 N ATOM 897 CA TYR A 60 0.076 -6.954 -4.943 1.00 0.00 C ATOM 898 C TYR A 60 -0.753 -5.675 -4.880 1.00 0.00 C ATOM 899 O TYR A 60 -1.914 -5.695 -4.468 1.00 0.00 O ATOM 900 CB TYR A 60 -0.094 -7.750 -3.649 1.00 0.00 C ATOM 901 CG TYR A 60 0.497 -9.141 -3.711 1.00 0.00 C ATOM 902 CD1 TYR A 60 1.872 -9.333 -3.725 1.00 0.00 C ATOM 903 CD2 TYR A 60 -0.322 -10.263 -3.755 1.00 0.00 C ATOM 904 CE1 TYR A 60 2.416 -10.601 -3.782 1.00 0.00 C ATOM 905 CE2 TYR A 60 0.213 -11.535 -3.812 1.00 0.00 C ATOM 906 CZ TYR A 60 1.583 -11.699 -3.825 1.00 0.00 C ATOM 907 OH TYR A 60 2.120 -12.965 -3.882 1.00 0.00 O ATOM 0 H TYR A 60 1.953 -6.210 -4.377 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.279 -7.555 -5.780 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.374 -7.202 -2.831 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.156 -7.826 -3.416 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.528 -8.476 -3.691 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.395 -10.138 -3.744 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.488 -10.732 -3.793 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.437 -12.397 -3.846 1.00 0.00 H new ATOM 0 HH TYR A 60 1.397 -13.626 -3.906 1.00 0.00 H new ATOM 917 N ILE A 61 -0.149 -4.565 -5.291 1.00 0.00 N ATOM 918 CA ILE A 61 -0.832 -3.277 -5.282 1.00 0.00 C ATOM 919 C ILE A 61 -0.359 -2.397 -6.434 1.00 0.00 C ATOM 920 O ILE A 61 0.759 -2.549 -6.928 1.00 0.00 O ATOM 921 CB ILE A 61 -0.607 -2.529 -3.955 1.00 0.00 C ATOM 922 CG1 ILE A 61 0.876 -2.199 -3.775 1.00 0.00 C ATOM 923 CG2 ILE A 61 -1.115 -3.360 -2.786 1.00 0.00 C ATOM 924 CD1 ILE A 61 1.266 -0.848 -4.333 1.00 0.00 C ATOM 0 H ILE A 61 0.811 -4.532 -5.634 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.896 -3.483 -5.397 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.167 -1.594 -3.983 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.120 -2.229 -2.713 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.473 -2.970 -4.261 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.949 -2.818 -1.855 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.181 -3.549 -2.910 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.579 -4.309 -2.754 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.331 -0.681 -4.170 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.053 -0.821 -5.402 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.695 -0.068 -3.829 1.00 0.00 H new ATOM 936 N VAL A 62 -1.217 -1.474 -6.858 1.00 0.00 N ATOM 937 CA VAL A 62 -0.886 -0.567 -7.950 1.00 0.00 C ATOM 938 C VAL A 62 -0.924 0.886 -7.489 1.00 0.00 C ATOM 939 O VAL A 62 -1.983 1.413 -7.149 1.00 0.00 O ATOM 940 CB VAL A 62 -1.852 -0.742 -9.137 1.00 0.00 C ATOM 941 CG1 VAL A 62 -1.507 0.230 -10.255 1.00 0.00 C ATOM 942 CG2 VAL A 62 -1.822 -2.178 -9.640 1.00 0.00 C ATOM 0 H VAL A 62 -2.146 -1.335 -6.461 1.00 0.00 H new ATOM 0 HA VAL A 62 0.125 -0.817 -8.273 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.863 -0.521 -8.796 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.200 0.091 -11.085 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.584 1.252 -9.885 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.489 0.044 -10.598 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.510 -2.284 -10.479 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.812 -2.429 -9.965 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.122 -2.851 -8.837 1.00 0.00 H new ATOM 952 N VAL A 63 0.240 1.529 -7.480 1.00 0.00 N ATOM 953 CA VAL A 63 0.340 2.922 -7.062 1.00 0.00 C ATOM 954 C VAL A 63 -0.291 3.852 -8.092 1.00 0.00 C ATOM 955 O VAL A 63 0.265 4.070 -9.168 1.00 0.00 O ATOM 956 CB VAL A 63 1.807 3.337 -6.842 1.00 0.00 C ATOM 957 CG1 VAL A 63 1.900 4.823 -6.528 1.00 0.00 C ATOM 958 CG2 VAL A 63 2.434 2.509 -5.731 1.00 0.00 C ATOM 0 H VAL A 63 1.126 1.107 -7.757 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.200 3.009 -6.119 1.00 0.00 H new ATOM 0 HB VAL A 63 2.362 3.149 -7.761 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.944 5.098 -6.376 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.491 5.397 -7.360 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.332 5.040 -5.623 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.470 2.816 -5.589 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.880 2.664 -4.805 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.402 1.454 -6.001 1.00 0.00 H new ATOM 968 N GLN A 64 -1.456 4.396 -7.754 1.00 0.00 N ATOM 969 CA GLN A 64 -2.163 5.303 -8.650 1.00 0.00 C ATOM 970 C GLN A 64 -1.467 6.659 -8.714 1.00 0.00 C ATOM 971 O GLN A 64 -1.828 7.587 -7.990 1.00 0.00 O ATOM 972 CB GLN A 64 -3.611 5.481 -8.192 1.00 0.00 C ATOM 973 CG GLN A 64 -4.384 4.175 -8.097 1.00 0.00 C ATOM 974 CD GLN A 64 -5.072 3.808 -9.397 1.00 0.00 C ATOM 975 OE1 GLN A 64 -5.600 4.671 -10.098 1.00 0.00 O ATOM 976 NE2 GLN A 64 -5.068 2.522 -9.726 1.00 0.00 N ATOM 0 H GLN A 64 -1.930 4.224 -6.867 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.156 4.865 -9.648 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -3.618 5.969 -7.217 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.124 6.147 -8.886 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.702 3.374 -7.812 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.130 4.255 -7.306 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.618 1.841 -9.115 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.515 2.215 -10.590 1.00 0.00 H new ATOM 985 N ASP A 65 -0.468 6.765 -9.583 1.00 0.00 N ATOM 986 CA ASP A 65 0.279 8.008 -9.741 1.00 0.00 C ATOM 987 C ASP A 65 -0.296 8.846 -10.879 1.00 0.00 C ATOM 988 O ASP A 65 -0.611 8.325 -11.950 1.00 0.00 O ATOM 989 CB ASP A 65 1.756 7.711 -10.005 1.00 0.00 C ATOM 990 CG ASP A 65 2.020 7.326 -11.447 1.00 0.00 C ATOM 991 OD1 ASP A 65 1.426 6.333 -11.916 1.00 0.00 O ATOM 992 OD2 ASP A 65 2.821 8.020 -12.108 1.00 0.00 O ATOM 0 H ASP A 65 -0.157 6.006 -10.189 1.00 0.00 H new ATOM 0 HA ASP A 65 0.191 8.576 -8.815 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.351 8.588 -9.751 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.084 6.903 -9.350 1.00 0.00 H new ATOM 997 N THR A 66 -0.430 10.147 -10.641 1.00 0.00 N ATOM 998 CA THR A 66 -0.968 11.056 -11.644 1.00 0.00 C ATOM 999 C THR A 66 -0.796 12.510 -11.218 1.00 0.00 C ATOM 1000 O THR A 66 -0.931 12.841 -10.040 1.00 0.00 O ATOM 1001 CB THR A 66 -2.461 10.783 -11.906 1.00 0.00 C ATOM 1002 OG1 THR A 66 -2.922 11.590 -12.996 1.00 0.00 O ATOM 1003 CG2 THR A 66 -3.291 11.076 -10.665 1.00 0.00 C ATOM 0 H THR A 66 -0.173 10.595 -9.761 1.00 0.00 H new ATOM 0 HA THR A 66 -0.407 10.881 -12.562 1.00 0.00 H new ATOM 0 HB THR A 66 -2.576 9.729 -12.160 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.872 11.410 -13.158 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.342 10.876 -10.874 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.957 10.440 -9.845 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.170 12.122 -10.385 1.00 0.00 H new ATOM 1011 N SER A 67 -0.498 13.373 -12.183 1.00 0.00 N ATOM 1012 CA SER A 67 -0.304 14.792 -11.906 1.00 0.00 C ATOM 1013 C SER A 67 -1.637 15.475 -11.614 1.00 0.00 C ATOM 1014 O SER A 67 -2.603 15.321 -12.360 1.00 0.00 O ATOM 1015 CB SER A 67 0.384 15.475 -13.090 1.00 0.00 C ATOM 1016 OG SER A 67 -0.374 15.323 -14.277 1.00 0.00 O ATOM 0 H SER A 67 -0.386 13.115 -13.163 1.00 0.00 H new ATOM 0 HA SER A 67 0.331 14.882 -11.025 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.519 16.535 -12.874 1.00 0.00 H new ATOM 0 HB3 SER A 67 1.377 15.050 -13.232 1.00 0.00 H new ATOM 0 HG SER A 67 -1.329 15.384 -14.065 1.00 0.00 H new ATOM 1022 N GLY A 68 -1.680 16.233 -10.522 1.00 0.00 N ATOM 1023 CA GLY A 68 -2.897 16.929 -10.149 1.00 0.00 C ATOM 1024 C GLY A 68 -2.674 18.412 -9.934 1.00 0.00 C ATOM 1025 O GLY A 68 -1.618 18.842 -9.469 1.00 0.00 O ATOM 0 H GLY A 68 -0.893 16.377 -9.889 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.646 16.787 -10.928 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.298 16.489 -9.236 1.00 0.00 H new ATOM 1029 N PRO A 69 -3.686 19.223 -10.278 1.00 0.00 N ATOM 1030 CA PRO A 69 -3.619 20.680 -10.129 1.00 0.00 C ATOM 1031 C PRO A 69 -3.637 21.115 -8.668 1.00 0.00 C ATOM 1032 O PRO A 69 -4.698 21.201 -8.049 1.00 0.00 O ATOM 1033 CB PRO A 69 -4.879 21.168 -10.848 1.00 0.00 C ATOM 1034 CG PRO A 69 -5.824 20.019 -10.779 1.00 0.00 C ATOM 1035 CD PRO A 69 -4.974 18.780 -10.837 1.00 0.00 C ATOM 0 HA PRO A 69 -2.694 21.089 -10.535 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -5.294 22.052 -10.363 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -4.664 21.442 -11.881 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -6.408 20.049 -9.859 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -6.532 20.046 -11.607 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -5.407 17.968 -10.253 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -4.865 18.415 -11.858 1.00 0.00 H new ATOM 1043 N SER A 70 -2.457 21.388 -8.121 1.00 0.00 N ATOM 1044 CA SER A 70 -2.338 21.812 -6.731 1.00 0.00 C ATOM 1045 C SER A 70 -2.043 23.306 -6.641 1.00 0.00 C ATOM 1046 O SER A 70 -1.038 23.784 -7.167 1.00 0.00 O ATOM 1047 CB SER A 70 -1.234 21.019 -6.028 1.00 0.00 C ATOM 1048 OG SER A 70 -1.689 19.730 -5.656 1.00 0.00 O ATOM 0 H SER A 70 -1.569 21.323 -8.619 1.00 0.00 H new ATOM 0 HA SER A 70 -3.289 21.618 -6.235 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.372 20.927 -6.688 1.00 0.00 H new ATOM 0 HB3 SER A 70 -0.901 21.560 -5.142 1.00 0.00 H new ATOM 0 HG SER A 70 -0.964 19.243 -5.210 1.00 0.00 H new ATOM 1054 N SER A 71 -2.927 24.038 -5.971 1.00 0.00 N ATOM 1055 CA SER A 71 -2.766 25.478 -5.815 1.00 0.00 C ATOM 1056 C SER A 71 -2.215 25.817 -4.433 1.00 0.00 C ATOM 1057 O SER A 71 -2.912 25.693 -3.427 1.00 0.00 O ATOM 1058 CB SER A 71 -4.103 26.190 -6.032 1.00 0.00 C ATOM 1059 OG SER A 71 -4.635 25.897 -7.312 1.00 0.00 O ATOM 0 H SER A 71 -3.763 23.657 -5.527 1.00 0.00 H new ATOM 0 HA SER A 71 -2.054 25.822 -6.565 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.811 25.884 -5.262 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.966 27.266 -5.929 1.00 0.00 H new ATOM 0 HG SER A 71 -5.490 26.362 -7.425 1.00 0.00 H new ATOM 1065 N GLY A 72 -0.957 26.245 -4.393 1.00 0.00 N ATOM 1066 CA GLY A 72 -0.332 26.595 -3.130 1.00 0.00 C ATOM 1067 C GLY A 72 1.177 26.456 -3.172 1.00 0.00 C ATOM 1068 O GLY A 72 1.883 27.045 -2.354 1.00 0.00 O ATOM 0 H GLY A 72 -0.359 26.356 -5.212 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.592 27.621 -2.871 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -0.731 25.957 -2.342 1.00 0.00 H new TER 1072 GLY A 72