USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=11 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 161:sc= -0.0272 (180deg=-0.286) USER MOD Single : A 3 THR OG1 : rot 180:sc=-0.00177 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot 81:sc= -0.0986 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -29:sc= 1.27 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0168 USER MOD Single : A 33 ASN : amide:sc= -0.663 K(o=-0.66,f=-6.9!) USER MOD Single : A 45 HIS : no HD1:sc= -0.814 X(o=-0.81,f=-1) USER MOD Single : A 47 THR OG1 : rot 65:sc= 0.494 USER MOD Single : A 55 GLN : amide:sc= -0.047 K(o=-0.047,f=-0.79) USER MOD Single : A 56 THR OG1 : rot 32:sc= 0.154 USER MOD Single : A 62 THR OG1 : rot 45:sc= 0.0311 USER MOD Single : A 64 ASN : amide:sc= -0.0117 X(o=-0.012,f=-0.51!) USER MOD Single : A 70 HIS : no HD1:sc= -0.0605 K(o=-0.06,f=-0.75) USER MOD Single : A 71 HIS : no HD1:sc= -0.445 K(o=-0.44,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA MET A 1 2.093 -0.001 -1.242 1.00 52.33 C ATOM 3 C MET A 1 3.224 -1.023 -1.185 1.00 15.13 C ATOM 4 O MET A 1 4.355 -0.693 -0.829 1.00 43.04 O ATOM 5 CB MET A 1 2.663 1.392 -1.517 1.00 15.45 C ATOM 6 CG MET A 1 2.861 1.688 -2.994 1.00 74.14 C ATOM 7 SD MET A 1 4.339 0.906 -3.667 1.00 24.30 S ATOM 8 CE MET A 1 3.625 -0.126 -4.945 1.00 41.11 C ATOM 0 H1 MET A 1 0.565 0.703 -0.063 1.00 0.00 H new ATOM 0 H2 MET A 1 0.919 -0.943 0.156 1.00 0.00 H new ATOM 0 H3 MET A 1 1.957 0.241 0.794 1.00 0.00 H new ATOM 0 HA MET A 1 1.419 -0.277 -2.053 1.00 52.33 H new ATOM 0 HB2 MET A 1 1.993 2.140 -1.092 1.00 15.45 H new ATOM 0 HB3 MET A 1 3.619 1.492 -1.004 1.00 15.45 H new ATOM 0 HG2 MET A 1 1.988 1.345 -3.549 1.00 74.14 H new ATOM 0 HG3 MET A 1 2.927 2.766 -3.139 1.00 74.14 H new ATOM 0 HE1 MET A 1 4.417 -0.675 -5.454 1.00 41.11 H new ATOM 0 HE2 MET A 1 2.926 -0.831 -4.495 1.00 41.11 H new ATOM 0 HE3 MET A 1 3.097 0.499 -5.665 1.00 41.11 H new ATOM 18 N LYS A 2 2.910 -2.265 -1.536 1.00 23.51 N ATOM 19 CA LYS A 2 3.900 -3.337 -1.525 1.00 55.54 C ATOM 20 C LYS A 2 4.145 -3.865 -2.935 1.00 53.32 C ATOM 21 O LYS A 2 3.258 -3.821 -3.789 1.00 44.32 O ATOM 22 CB LYS A 2 3.437 -4.477 -0.615 1.00 42.24 C ATOM 23 CG LYS A 2 2.121 -5.102 -1.045 1.00 22.04 C ATOM 24 CD LYS A 2 1.562 -6.019 0.031 1.00 45.32 C ATOM 25 CE LYS A 2 0.950 -5.226 1.176 1.00 71.35 C ATOM 26 NZ LYS A 2 -0.283 -4.505 0.754 1.00 62.22 N ATOM 0 H LYS A 2 1.978 -2.555 -1.832 1.00 23.51 H new ATOM 0 HA LYS A 2 4.835 -2.931 -1.140 1.00 55.54 H new ATOM 0 HB2 LYS A 2 4.206 -5.249 -0.593 1.00 42.24 H new ATOM 0 HB3 LYS A 2 3.335 -4.100 0.403 1.00 42.24 H new ATOM 0 HG2 LYS A 2 1.399 -4.316 -1.266 1.00 22.04 H new ATOM 0 HG3 LYS A 2 2.269 -5.667 -1.965 1.00 22.04 H new ATOM 0 HD2 LYS A 2 0.807 -6.674 -0.404 1.00 45.32 H new ATOM 0 HD3 LYS A 2 2.357 -6.659 0.414 1.00 45.32 H new ATOM 0 HE2 LYS A 2 0.713 -5.900 1.999 1.00 71.35 H new ATOM 0 HE3 LYS A 2 1.680 -4.509 1.552 1.00 71.35 H new ATOM 0 HZ1 LYS A 2 -0.841 -4.250 1.594 1.00 62.22 H new ATOM 0 HZ2 LYS A 2 -0.021 -3.642 0.237 1.00 62.22 H new ATOM 0 HZ3 LYS A 2 -0.850 -5.120 0.136 1.00 62.22 H new ATOM 40 N THR A 3 5.353 -4.366 -3.173 1.00 51.20 N ATOM 41 CA THR A 3 5.714 -4.903 -4.479 1.00 3.32 C ATOM 42 C THR A 3 6.432 -6.241 -4.344 1.00 2.34 C ATOM 43 O THR A 3 7.109 -6.496 -3.347 1.00 52.41 O ATOM 44 CB THR A 3 6.615 -3.926 -5.258 1.00 61.12 C ATOM 45 OG1 THR A 3 7.043 -4.527 -6.486 1.00 34.25 O ATOM 46 CG2 THR A 3 7.829 -3.532 -4.431 1.00 22.14 C ATOM 0 H THR A 3 6.098 -4.411 -2.478 1.00 51.20 H new ATOM 0 HA THR A 3 4.784 -5.047 -5.030 1.00 3.32 H new ATOM 0 HB THR A 3 6.036 -3.028 -5.475 1.00 61.12 H new ATOM 0 HG1 THR A 3 7.614 -3.899 -6.976 1.00 34.25 H new ATOM 0 HG21 THR A 3 8.450 -2.842 -5.002 1.00 22.14 H new ATOM 0 HG22 THR A 3 7.501 -3.048 -3.511 1.00 22.14 H new ATOM 0 HG23 THR A 3 8.407 -4.423 -4.186 1.00 22.14 H new ATOM 54 N PHE A 4 6.281 -7.092 -5.352 1.00 63.44 N ATOM 55 CA PHE A 4 6.916 -8.405 -5.346 1.00 34.52 C ATOM 56 C PHE A 4 8.405 -8.292 -5.659 1.00 14.30 C ATOM 57 O PHE A 4 8.790 -7.945 -6.775 1.00 3.42 O ATOM 58 CB PHE A 4 6.238 -9.328 -6.362 1.00 2.35 C ATOM 59 CG PHE A 4 4.738 -9.276 -6.311 1.00 50.44 C ATOM 60 CD1 PHE A 4 4.064 -9.479 -5.118 1.00 50.50 C ATOM 61 CD2 PHE A 4 4.002 -9.024 -7.458 1.00 33.20 C ATOM 62 CE1 PHE A 4 2.683 -9.431 -5.068 1.00 44.23 C ATOM 63 CE2 PHE A 4 2.621 -8.975 -7.414 1.00 42.13 C ATOM 64 CZ PHE A 4 1.961 -9.180 -6.218 1.00 42.34 C ATOM 0 H PHE A 4 5.724 -6.897 -6.184 1.00 63.44 H new ATOM 0 HA PHE A 4 6.804 -8.830 -4.348 1.00 34.52 H new ATOM 0 HB2 PHE A 4 6.569 -9.057 -7.365 1.00 2.35 H new ATOM 0 HB3 PHE A 4 6.564 -10.353 -6.184 1.00 2.35 H new ATOM 0 HD1 PHE A 4 4.624 -9.677 -4.216 1.00 50.50 H new ATOM 0 HD2 PHE A 4 4.513 -8.864 -8.396 1.00 33.20 H new ATOM 0 HE1 PHE A 4 2.170 -9.590 -4.131 1.00 44.23 H new ATOM 0 HE2 PHE A 4 2.059 -8.777 -8.314 1.00 42.13 H new ATOM 0 HZ PHE A 4 0.882 -9.144 -6.182 1.00 42.34 H new ATOM 74 N ALA A 5 9.236 -8.586 -4.665 1.00 64.42 N ATOM 75 CA ALA A 5 10.683 -8.519 -4.834 1.00 54.00 C ATOM 76 C ALA A 5 11.164 -9.538 -5.861 1.00 75.32 C ATOM 77 O ALA A 5 10.548 -10.590 -6.042 1.00 64.05 O ATOM 78 CB ALA A 5 11.381 -8.741 -3.500 1.00 74.04 C ATOM 0 H ALA A 5 8.933 -8.873 -3.734 1.00 64.42 H new ATOM 0 HA ALA A 5 10.935 -7.525 -5.203 1.00 54.00 H new ATOM 0 HB1 ALA A 5 12.461 -8.688 -3.641 1.00 74.04 H new ATOM 0 HB2 ALA A 5 11.069 -7.971 -2.794 1.00 74.04 H new ATOM 0 HB3 ALA A 5 11.114 -9.722 -3.108 1.00 74.04 H new ATOM 84 N LEU A 6 12.265 -9.221 -6.532 1.00 5.24 N ATOM 85 CA LEU A 6 12.829 -10.109 -7.542 1.00 61.31 C ATOM 86 C LEU A 6 14.346 -9.968 -7.606 1.00 45.23 C ATOM 87 O LEU A 6 14.943 -9.226 -6.827 1.00 1.23 O ATOM 88 CB LEU A 6 12.219 -9.808 -8.912 1.00 51.00 C ATOM 89 CG LEU A 6 10.700 -9.947 -9.015 1.00 74.14 C ATOM 90 CD1 LEU A 6 10.190 -9.299 -10.293 1.00 60.14 C ATOM 91 CD2 LEU A 6 10.293 -11.412 -8.959 1.00 62.44 C ATOM 0 H LEU A 6 12.786 -8.355 -6.395 1.00 5.24 H new ATOM 0 HA LEU A 6 12.590 -11.135 -7.262 1.00 61.31 H new ATOM 0 HB2 LEU A 6 12.491 -8.790 -9.193 1.00 51.00 H new ATOM 0 HB3 LEU A 6 12.675 -10.473 -9.645 1.00 51.00 H new ATOM 0 HG LEU A 6 10.249 -9.433 -8.166 1.00 74.14 H new ATOM 0 HD11 LEU A 6 9.107 -9.408 -10.349 1.00 60.14 H new ATOM 0 HD12 LEU A 6 10.449 -8.240 -10.292 1.00 60.14 H new ATOM 0 HD13 LEU A 6 10.648 -9.784 -11.155 1.00 60.14 H new ATOM 0 HD21 LEU A 6 9.208 -11.491 -9.034 1.00 62.44 H new ATOM 0 HD22 LEU A 6 10.754 -11.950 -9.787 1.00 62.44 H new ATOM 0 HD23 LEU A 6 10.624 -11.846 -8.016 1.00 62.44 H new ATOM 103 N GLN A 7 14.963 -10.683 -8.542 1.00 2.33 N ATOM 104 CA GLN A 7 16.411 -10.635 -8.708 1.00 60.12 C ATOM 105 C GLN A 7 16.899 -9.194 -8.818 1.00 62.44 C ATOM 106 O GLN A 7 16.458 -8.444 -9.688 1.00 4.22 O ATOM 107 CB GLN A 7 16.829 -11.424 -9.950 1.00 71.13 C ATOM 108 CG GLN A 7 18.225 -12.017 -9.853 1.00 44.22 C ATOM 109 CD GLN A 7 18.906 -12.132 -11.203 1.00 11.50 C ATOM 110 OE1 GLN A 7 19.794 -11.345 -11.532 1.00 51.34 O ATOM 111 NE2 GLN A 7 18.492 -13.115 -11.993 1.00 62.40 N ATOM 0 H GLN A 7 14.483 -11.302 -9.196 1.00 2.33 H new ATOM 0 HA GLN A 7 16.868 -11.087 -7.828 1.00 60.12 H new ATOM 0 HB2 GLN A 7 16.113 -12.228 -10.117 1.00 71.13 H new ATOM 0 HB3 GLN A 7 16.781 -10.769 -10.820 1.00 71.13 H new ATOM 0 HG2 GLN A 7 18.834 -11.397 -9.195 1.00 44.22 H new ATOM 0 HG3 GLN A 7 18.165 -13.004 -9.395 1.00 44.22 H new ATOM 0 HE21 GLN A 7 17.753 -13.744 -11.680 1.00 62.40 H new ATOM 0 HE22 GLN A 7 18.913 -13.241 -12.913 1.00 62.40 H new ATOM 120 N GLY A 8 17.813 -8.814 -7.930 1.00 34.50 N ATOM 121 CA GLY A 8 18.345 -7.465 -7.945 1.00 1.55 C ATOM 122 C GLY A 8 17.279 -6.418 -7.689 1.00 52.12 C ATOM 123 O GLY A 8 17.428 -5.261 -8.083 1.00 20.01 O ATOM 0 H GLY A 8 18.194 -9.417 -7.201 1.00 34.50 H new ATOM 0 HA2 GLY A 8 19.125 -7.377 -7.189 1.00 1.55 H new ATOM 0 HA3 GLY A 8 18.814 -7.273 -8.910 1.00 1.55 H new ATOM 127 N ASP A 9 16.199 -6.824 -7.030 1.00 24.11 N ATOM 128 CA ASP A 9 15.103 -5.913 -6.723 1.00 10.10 C ATOM 129 C ASP A 9 14.788 -5.925 -5.230 1.00 45.53 C ATOM 130 O ASP A 9 13.668 -5.623 -4.818 1.00 32.20 O ATOM 131 CB ASP A 9 13.856 -6.294 -7.523 1.00 0.35 C ATOM 132 CG ASP A 9 13.881 -5.739 -8.933 1.00 61.03 C ATOM 133 OD1 ASP A 9 14.681 -6.238 -9.752 1.00 53.23 O ATOM 134 OD2 ASP A 9 13.102 -4.806 -9.218 1.00 54.51 O ATOM 0 H ASP A 9 16.059 -7.778 -6.698 1.00 24.11 H new ATOM 0 HA ASP A 9 15.411 -4.906 -7.003 1.00 10.10 H new ATOM 0 HB2 ASP A 9 13.772 -7.380 -7.565 1.00 0.35 H new ATOM 0 HB3 ASP A 9 12.970 -5.926 -7.006 1.00 0.35 H new ATOM 139 N THR A 10 15.785 -6.276 -4.423 1.00 50.43 N ATOM 140 CA THR A 10 15.615 -6.329 -2.977 1.00 15.11 C ATOM 141 C THR A 10 15.518 -4.928 -2.383 1.00 23.55 C ATOM 142 O THR A 10 15.621 -3.931 -3.098 1.00 5.13 O ATOM 143 CB THR A 10 16.776 -7.082 -2.302 1.00 22.13 C ATOM 144 OG1 THR A 10 17.929 -6.237 -2.225 1.00 3.41 O ATOM 145 CG2 THR A 10 17.120 -8.348 -3.071 1.00 60.44 C ATOM 0 H THR A 10 16.719 -6.528 -4.747 1.00 50.43 H new ATOM 0 HA THR A 10 14.685 -6.866 -2.788 1.00 15.11 H new ATOM 0 HB THR A 10 16.462 -7.361 -1.296 1.00 22.13 H new ATOM 0 HG1 THR A 10 18.662 -6.723 -1.793 1.00 3.41 H new ATOM 0 HG21 THR A 10 17.943 -8.863 -2.575 1.00 60.44 H new ATOM 0 HG22 THR A 10 16.249 -9.003 -3.103 1.00 60.44 H new ATOM 0 HG23 THR A 10 17.415 -8.087 -4.087 1.00 60.44 H new ATOM 153 N LEU A 11 15.321 -4.860 -1.071 1.00 32.03 N ATOM 154 CA LEU A 11 15.211 -3.580 -0.379 1.00 64.22 C ATOM 155 C LEU A 11 16.360 -2.654 -0.764 1.00 3.52 C ATOM 156 O LEU A 11 16.162 -1.457 -0.977 1.00 34.34 O ATOM 157 CB LEU A 11 15.200 -3.796 1.135 1.00 0.32 C ATOM 158 CG LEU A 11 14.062 -4.658 1.682 1.00 72.01 C ATOM 159 CD1 LEU A 11 14.098 -4.688 3.202 1.00 72.51 C ATOM 160 CD2 LEU A 11 12.718 -4.142 1.189 1.00 73.33 C ATOM 0 H LEU A 11 15.234 -5.676 -0.465 1.00 32.03 H new ATOM 0 HA LEU A 11 14.274 -3.111 -0.679 1.00 64.22 H new ATOM 0 HB2 LEU A 11 16.146 -4.254 1.423 1.00 0.32 H new ATOM 0 HB3 LEU A 11 15.156 -2.821 1.621 1.00 0.32 H new ATOM 0 HG LEU A 11 14.195 -5.676 1.316 1.00 72.01 H new ATOM 0 HD11 LEU A 11 13.281 -5.306 3.573 1.00 72.51 H new ATOM 0 HD12 LEU A 11 15.048 -5.105 3.535 1.00 72.51 H new ATOM 0 HD13 LEU A 11 13.991 -3.675 3.589 1.00 72.51 H new ATOM 0 HD21 LEU A 11 11.920 -4.767 1.588 1.00 73.33 H new ATOM 0 HD22 LEU A 11 12.577 -3.115 1.525 1.00 73.33 H new ATOM 0 HD23 LEU A 11 12.693 -4.174 0.100 1.00 73.33 H new ATOM 172 N ASP A 12 17.561 -3.214 -0.853 1.00 22.40 N ATOM 173 CA ASP A 12 18.742 -2.439 -1.216 1.00 21.35 C ATOM 174 C ASP A 12 18.508 -1.665 -2.509 1.00 12.23 C ATOM 175 O ASP A 12 18.961 -0.530 -2.655 1.00 31.01 O ATOM 176 CB ASP A 12 19.954 -3.359 -1.370 1.00 5.13 C ATOM 177 CG ASP A 12 21.084 -2.703 -2.139 1.00 63.22 C ATOM 178 OD1 ASP A 12 21.857 -1.940 -1.523 1.00 45.12 O ATOM 179 OD2 ASP A 12 21.196 -2.954 -3.357 1.00 72.22 O ATOM 0 H ASP A 12 17.743 -4.202 -0.679 1.00 22.40 H new ATOM 0 HA ASP A 12 18.937 -1.724 -0.416 1.00 21.35 H new ATOM 0 HB2 ASP A 12 20.312 -3.652 -0.383 1.00 5.13 H new ATOM 0 HB3 ASP A 12 19.651 -4.272 -1.883 1.00 5.13 H new ATOM 184 N ALA A 13 17.798 -2.287 -3.445 1.00 10.45 N ATOM 185 CA ALA A 13 17.503 -1.655 -4.725 1.00 32.51 C ATOM 186 C ALA A 13 16.224 -0.828 -4.647 1.00 62.23 C ATOM 187 O ALA A 13 16.222 0.360 -4.972 1.00 72.52 O ATOM 188 CB ALA A 13 17.387 -2.708 -5.818 1.00 5.32 C ATOM 0 H ALA A 13 17.417 -3.227 -3.341 1.00 10.45 H new ATOM 0 HA ALA A 13 18.325 -0.982 -4.969 1.00 32.51 H new ATOM 0 HB1 ALA A 13 17.166 -2.223 -6.769 1.00 5.32 H new ATOM 0 HB2 ALA A 13 18.327 -3.254 -5.899 1.00 5.32 H new ATOM 0 HB3 ALA A 13 16.584 -3.403 -5.570 1.00 5.32 H new ATOM 194 N ILE A 14 15.140 -1.463 -4.216 1.00 75.11 N ATOM 195 CA ILE A 14 13.855 -0.785 -4.096 1.00 40.30 C ATOM 196 C ILE A 14 13.998 0.533 -3.342 1.00 34.12 C ATOM 197 O ILE A 14 13.524 1.575 -3.797 1.00 33.33 O ATOM 198 CB ILE A 14 12.818 -1.666 -3.375 1.00 60.23 C ATOM 199 CG1 ILE A 14 12.602 -2.971 -4.145 1.00 43.11 C ATOM 200 CG2 ILE A 14 11.504 -0.916 -3.216 1.00 3.34 C ATOM 201 CD1 ILE A 14 11.760 -3.981 -3.398 1.00 71.00 C ATOM 0 H ILE A 14 15.126 -2.446 -3.944 1.00 75.11 H new ATOM 0 HA ILE A 14 13.507 -0.586 -5.110 1.00 40.30 H new ATOM 0 HB ILE A 14 13.197 -1.909 -2.383 1.00 60.23 H new ATOM 0 HG12 ILE A 14 12.124 -2.746 -5.098 1.00 43.11 H new ATOM 0 HG13 ILE A 14 13.572 -3.415 -4.371 1.00 43.11 H new ATOM 0 HG21 ILE A 14 10.782 -1.552 -2.705 1.00 3.34 H new ATOM 0 HG22 ILE A 14 11.670 -0.012 -2.630 1.00 3.34 H new ATOM 0 HG23 ILE A 14 11.118 -0.646 -4.199 1.00 3.34 H new ATOM 0 HD11 ILE A 14 11.649 -4.881 -4.003 1.00 71.00 H new ATOM 0 HD12 ILE A 14 12.247 -4.235 -2.456 1.00 71.00 H new ATOM 0 HD13 ILE A 14 10.777 -3.556 -3.195 1.00 71.00 H new ATOM 213 N CYS A 15 14.654 0.480 -2.188 1.00 64.25 N ATOM 214 CA CYS A 15 14.861 1.670 -1.371 1.00 31.24 C ATOM 215 C CYS A 15 15.478 2.795 -2.194 1.00 43.24 C ATOM 216 O CYS A 15 15.175 3.970 -1.986 1.00 73.10 O ATOM 217 CB CYS A 15 15.759 1.344 -0.176 1.00 71.34 C ATOM 218 SG CYS A 15 14.928 0.430 1.144 1.00 11.24 S ATOM 0 H CYS A 15 15.052 -0.374 -1.797 1.00 64.25 H new ATOM 0 HA CYS A 15 13.889 2.003 -1.006 1.00 31.24 H new ATOM 0 HB2 CYS A 15 16.612 0.762 -0.524 1.00 71.34 H new ATOM 0 HB3 CYS A 15 16.153 2.274 0.233 1.00 71.34 H new ATOM 0 HG CYS A 15 14.877 -0.831 0.833 1.00 11.24 H new ATOM 224 N VAL A 16 16.348 2.428 -3.130 1.00 41.11 N ATOM 225 CA VAL A 16 17.009 3.406 -3.985 1.00 43.53 C ATOM 226 C VAL A 16 16.152 3.742 -5.201 1.00 5.12 C ATOM 227 O VAL A 16 16.334 4.783 -5.833 1.00 22.22 O ATOM 228 CB VAL A 16 18.382 2.897 -4.463 1.00 41.24 C ATOM 229 CG1 VAL A 16 19.063 3.938 -5.339 1.00 12.53 C ATOM 230 CG2 VAL A 16 19.258 2.533 -3.275 1.00 23.25 C ATOM 0 H VAL A 16 16.611 1.460 -3.315 1.00 41.11 H new ATOM 0 HA VAL A 16 17.152 4.305 -3.385 1.00 43.53 H new ATOM 0 HB VAL A 16 18.229 1.999 -5.061 1.00 41.24 H new ATOM 0 HG11 VAL A 16 20.031 3.560 -5.667 1.00 12.53 H new ATOM 0 HG12 VAL A 16 18.440 4.145 -6.210 1.00 12.53 H new ATOM 0 HG13 VAL A 16 19.206 4.856 -4.769 1.00 12.53 H new ATOM 0 HG21 VAL A 16 20.224 2.175 -3.631 1.00 23.25 H new ATOM 0 HG22 VAL A 16 19.405 3.413 -2.648 1.00 23.25 H new ATOM 0 HG23 VAL A 16 18.774 1.750 -2.692 1.00 23.25 H new ATOM 240 N ARG A 17 15.218 2.854 -5.522 1.00 74.13 N ATOM 241 CA ARG A 17 14.332 3.055 -6.663 1.00 3.41 C ATOM 242 C ARG A 17 13.126 3.904 -6.272 1.00 0.03 C ATOM 243 O ARG A 17 12.472 4.502 -7.126 1.00 53.30 O ATOM 244 CB ARG A 17 13.864 1.708 -7.216 1.00 52.32 C ATOM 245 CG ARG A 17 14.984 0.872 -7.814 1.00 11.44 C ATOM 246 CD ARG A 17 14.518 0.119 -9.050 1.00 4.12 C ATOM 247 NE ARG A 17 15.638 -0.311 -9.882 1.00 63.44 N ATOM 248 CZ ARG A 17 15.540 -1.249 -10.818 1.00 64.03 C ATOM 249 NH1 ARG A 17 14.380 -1.851 -11.040 1.00 12.42 N ATOM 250 NH2 ARG A 17 16.605 -1.586 -11.535 1.00 72.23 N ATOM 0 H ARG A 17 15.055 1.988 -5.008 1.00 74.13 H new ATOM 0 HA ARG A 17 14.890 3.583 -7.436 1.00 3.41 H new ATOM 0 HB2 ARG A 17 13.388 1.142 -6.415 1.00 52.32 H new ATOM 0 HB3 ARG A 17 13.105 1.882 -7.979 1.00 52.32 H new ATOM 0 HG2 ARG A 17 15.822 1.518 -8.075 1.00 11.44 H new ATOM 0 HG3 ARG A 17 15.347 0.163 -7.070 1.00 11.44 H new ATOM 0 HD2 ARG A 17 13.936 -0.751 -8.747 1.00 4.12 H new ATOM 0 HD3 ARG A 17 13.855 0.757 -9.635 1.00 4.12 H new ATOM 0 HE ARG A 17 16.545 0.133 -9.737 1.00 63.44 H new ATOM 0 HH11 ARG A 17 13.559 -1.595 -10.492 1.00 12.42 H new ATOM 0 HH12 ARG A 17 14.308 -2.571 -11.759 1.00 12.42 H new ATOM 0 HH21 ARG A 17 17.499 -1.125 -11.368 1.00 72.23 H new ATOM 0 HH22 ARG A 17 16.529 -2.306 -12.253 1.00 72.23 H new ATOM 264 N TYR A 18 12.838 3.951 -4.976 1.00 34.21 N ATOM 265 CA TYR A 18 11.709 4.723 -4.472 1.00 15.34 C ATOM 266 C TYR A 18 12.187 5.970 -3.735 1.00 5.43 C ATOM 267 O TYR A 18 11.905 7.096 -4.146 1.00 74.24 O ATOM 268 CB TYR A 18 10.851 3.865 -3.540 1.00 64.42 C ATOM 269 CG TYR A 18 9.909 2.935 -4.270 1.00 54.04 C ATOM 270 CD1 TYR A 18 10.370 1.756 -4.843 1.00 34.44 C ATOM 271 CD2 TYR A 18 8.558 3.236 -4.389 1.00 54.32 C ATOM 272 CE1 TYR A 18 9.512 0.903 -5.511 1.00 42.44 C ATOM 273 CE2 TYR A 18 7.693 2.389 -5.055 1.00 13.42 C ATOM 274 CZ TYR A 18 8.175 1.224 -5.614 1.00 53.43 C ATOM 275 OH TYR A 18 7.317 0.379 -6.279 1.00 74.14 O ATOM 0 H TYR A 18 13.371 3.464 -4.256 1.00 34.21 H new ATOM 0 HA TYR A 18 11.107 5.035 -5.325 1.00 15.34 H new ATOM 0 HB2 TYR A 18 11.505 3.275 -2.898 1.00 64.42 H new ATOM 0 HB3 TYR A 18 10.271 4.519 -2.889 1.00 64.42 H new ATOM 0 HD1 TYR A 18 11.417 1.502 -4.765 1.00 34.44 H new ATOM 0 HD2 TYR A 18 8.177 4.148 -3.953 1.00 54.32 H new ATOM 0 HE1 TYR A 18 9.887 -0.010 -5.950 1.00 42.44 H new ATOM 0 HE2 TYR A 18 6.645 2.638 -5.137 1.00 13.42 H new ATOM 0 HH TYR A 18 6.411 0.751 -6.259 1.00 74.14 H new ATOM 285 N TYR A 19 12.915 5.761 -2.643 1.00 51.41 N ATOM 286 CA TYR A 19 13.433 6.867 -1.846 1.00 54.44 C ATOM 287 C TYR A 19 14.744 7.389 -2.425 1.00 63.34 C ATOM 288 O TYR A 19 15.016 8.588 -2.397 1.00 14.32 O ATOM 289 CB TYR A 19 13.642 6.425 -0.397 1.00 50.31 C ATOM 290 CG TYR A 19 12.510 5.584 0.149 1.00 41.50 C ATOM 291 CD1 TYR A 19 11.326 6.172 0.578 1.00 43.33 C ATOM 292 CD2 TYR A 19 12.625 4.203 0.237 1.00 33.32 C ATOM 293 CE1 TYR A 19 10.290 5.408 1.078 1.00 13.40 C ATOM 294 CE2 TYR A 19 11.593 3.431 0.735 1.00 72.33 C ATOM 295 CZ TYR A 19 10.428 4.038 1.154 1.00 15.10 C ATOM 296 OH TYR A 19 9.398 3.273 1.652 1.00 72.34 O ATOM 0 H TYR A 19 13.160 4.836 -2.290 1.00 51.41 H new ATOM 0 HA TYR A 19 12.700 7.673 -1.870 1.00 54.44 H new ATOM 0 HB2 TYR A 19 14.570 5.858 -0.329 1.00 50.31 H new ATOM 0 HB3 TYR A 19 13.762 7.309 0.230 1.00 50.31 H new ATOM 0 HD1 TYR A 19 11.214 7.245 0.519 1.00 43.33 H new ATOM 0 HD2 TYR A 19 13.536 3.724 -0.089 1.00 33.32 H new ATOM 0 HE1 TYR A 19 9.377 5.881 1.408 1.00 13.40 H new ATOM 0 HE2 TYR A 19 11.698 2.358 0.796 1.00 72.33 H new ATOM 0 HH TYR A 19 8.880 3.801 2.295 1.00 72.34 H new ATOM 306 N GLY A 20 15.556 6.476 -2.952 1.00 15.11 N ATOM 307 CA GLY A 20 16.829 6.861 -3.531 1.00 41.41 C ATOM 308 C GLY A 20 17.964 6.802 -2.528 1.00 11.51 C ATOM 309 O GLY A 20 19.003 7.434 -2.719 1.00 24.23 O ATOM 0 H GLY A 20 15.354 5.477 -2.988 1.00 15.11 H new ATOM 0 HA2 GLY A 20 17.056 6.204 -4.371 1.00 41.41 H new ATOM 0 HA3 GLY A 20 16.752 7.873 -3.929 1.00 41.41 H new ATOM 313 N ARG A 21 17.764 6.044 -1.455 1.00 64.32 N ATOM 314 CA ARG A 21 18.778 5.907 -0.417 1.00 4.34 C ATOM 315 C ARG A 21 18.471 4.720 0.491 1.00 32.11 C ATOM 316 O ARG A 21 17.345 4.221 0.520 1.00 41.02 O ATOM 317 CB ARG A 21 18.864 7.189 0.414 1.00 11.10 C ATOM 318 CG ARG A 21 17.581 7.519 1.159 1.00 33.31 C ATOM 319 CD ARG A 21 16.661 8.395 0.324 1.00 73.15 C ATOM 320 NE ARG A 21 15.866 9.299 1.151 1.00 71.15 N ATOM 321 CZ ARG A 21 15.268 10.389 0.682 1.00 4.14 C ATOM 322 NH1 ARG A 21 15.375 10.709 -0.600 1.00 32.41 N ATOM 323 NH2 ARG A 21 14.562 11.162 1.498 1.00 62.03 N ATOM 0 H ARG A 21 16.909 5.515 -1.282 1.00 64.32 H new ATOM 0 HA ARG A 21 19.738 5.731 -0.903 1.00 4.34 H new ATOM 0 HB2 ARG A 21 19.677 7.092 1.133 1.00 11.10 H new ATOM 0 HB3 ARG A 21 19.117 8.021 -0.243 1.00 11.10 H new ATOM 0 HG2 ARG A 21 17.065 6.596 1.423 1.00 33.31 H new ATOM 0 HG3 ARG A 21 17.822 8.028 2.092 1.00 33.31 H new ATOM 0 HD2 ARG A 21 17.255 8.977 -0.380 1.00 73.15 H new ATOM 0 HD3 ARG A 21 15.996 7.764 -0.265 1.00 73.15 H new ATOM 0 HE ARG A 21 15.764 9.082 2.142 1.00 71.15 H new ATOM 0 HH11 ARG A 21 15.918 10.118 -1.230 1.00 32.41 H new ATOM 0 HH12 ARG A 21 14.915 11.546 -0.957 1.00 32.41 H new ATOM 0 HH21 ARG A 21 14.478 10.919 2.485 1.00 62.03 H new ATOM 0 HH22 ARG A 21 14.103 11.999 1.138 1.00 62.03 H new ATOM 337 N THR A 22 19.479 4.271 1.232 1.00 63.43 N ATOM 338 CA THR A 22 19.318 3.141 2.139 1.00 53.42 C ATOM 339 C THR A 22 19.542 3.563 3.587 1.00 72.45 C ATOM 340 O THR A 22 18.998 2.957 4.509 1.00 12.34 O ATOM 341 CB THR A 22 20.291 1.999 1.792 1.00 34.40 C ATOM 342 OG1 THR A 22 21.420 2.516 1.080 1.00 3.03 O ATOM 343 CG2 THR A 22 19.599 0.935 0.952 1.00 41.40 C ATOM 0 H THR A 22 20.416 4.673 1.222 1.00 63.43 H new ATOM 0 HA THR A 22 18.295 2.784 2.021 1.00 53.42 H new ATOM 0 HB THR A 22 20.627 1.543 2.723 1.00 34.40 H new ATOM 0 HG1 THR A 22 22.034 1.784 0.865 1.00 3.03 H new ATOM 0 HG21 THR A 22 20.306 0.139 0.719 1.00 41.40 H new ATOM 0 HG22 THR A 22 18.758 0.522 1.509 1.00 41.40 H new ATOM 0 HG23 THR A 22 19.237 1.381 0.026 1.00 41.40 H new ATOM 351 N GLU A 23 20.346 4.604 3.777 1.00 14.24 N ATOM 352 CA GLU A 23 20.641 5.105 5.115 1.00 51.45 C ATOM 353 C GLU A 23 19.433 5.828 5.704 1.00 73.51 C ATOM 354 O GLU A 23 19.047 6.898 5.237 1.00 52.14 O ATOM 355 CB GLU A 23 21.844 6.050 5.075 1.00 21.21 C ATOM 356 CG GLU A 23 22.557 6.183 6.410 1.00 1.22 C ATOM 357 CD GLU A 23 23.386 4.961 6.754 1.00 60.23 C ATOM 358 OE1 GLU A 23 23.810 4.250 5.818 1.00 2.50 O ATOM 359 OE2 GLU A 23 23.610 4.714 7.957 1.00 43.20 O ATOM 0 H GLU A 23 20.804 5.116 3.023 1.00 14.24 H new ATOM 0 HA GLU A 23 20.878 4.252 5.751 1.00 51.45 H new ATOM 0 HB2 GLU A 23 22.552 5.692 4.328 1.00 21.21 H new ATOM 0 HB3 GLU A 23 21.511 7.036 4.751 1.00 21.21 H new ATOM 0 HG2 GLU A 23 23.203 7.061 6.387 1.00 1.22 H new ATOM 0 HG3 GLU A 23 21.820 6.350 7.196 1.00 1.22 H new ATOM 366 N GLY A 24 18.839 5.232 6.734 1.00 1.22 N ATOM 367 CA GLY A 24 17.681 5.832 7.371 1.00 72.54 C ATOM 368 C GLY A 24 16.378 5.218 6.898 1.00 55.41 C ATOM 369 O GLY A 24 15.343 5.363 7.549 1.00 32.32 O ATOM 0 H GLY A 24 19.139 4.345 7.138 1.00 1.22 H new ATOM 0 HA2 GLY A 24 17.763 5.716 8.452 1.00 72.54 H new ATOM 0 HA3 GLY A 24 17.671 6.902 7.166 1.00 72.54 H new ATOM 373 N VAL A 25 16.426 4.533 5.760 1.00 21.11 N ATOM 374 CA VAL A 25 15.240 3.896 5.200 1.00 2.00 C ATOM 375 C VAL A 25 15.223 2.402 5.505 1.00 53.42 C ATOM 376 O VAL A 25 14.179 1.836 5.830 1.00 1.35 O ATOM 377 CB VAL A 25 15.161 4.099 3.675 1.00 25.42 C ATOM 378 CG1 VAL A 25 13.823 3.613 3.140 1.00 30.22 C ATOM 379 CG2 VAL A 25 15.388 5.560 3.320 1.00 42.21 C ATOM 0 H VAL A 25 17.274 4.405 5.208 1.00 21.11 H new ATOM 0 HA VAL A 25 14.376 4.369 5.667 1.00 2.00 H new ATOM 0 HB VAL A 25 15.948 3.509 3.206 1.00 25.42 H new ATOM 0 HG11 VAL A 25 13.786 3.765 2.061 1.00 30.22 H new ATOM 0 HG12 VAL A 25 13.706 2.552 3.362 1.00 30.22 H new ATOM 0 HG13 VAL A 25 13.017 4.173 3.613 1.00 30.22 H new ATOM 0 HG21 VAL A 25 15.329 5.685 2.239 1.00 42.21 H new ATOM 0 HG22 VAL A 25 14.625 6.174 3.799 1.00 42.21 H new ATOM 0 HG23 VAL A 25 16.373 5.870 3.668 1.00 42.21 H new ATOM 389 N VAL A 26 16.386 1.768 5.397 1.00 2.45 N ATOM 390 CA VAL A 26 16.506 0.340 5.663 1.00 33.22 C ATOM 391 C VAL A 26 15.930 -0.015 7.030 1.00 62.04 C ATOM 392 O VAL A 26 15.455 -1.130 7.243 1.00 44.10 O ATOM 393 CB VAL A 26 17.974 -0.122 5.601 1.00 11.32 C ATOM 394 CG1 VAL A 26 18.523 0.033 4.191 1.00 4.43 C ATOM 395 CG2 VAL A 26 18.819 0.655 6.600 1.00 74.21 C ATOM 0 H VAL A 26 17.259 2.221 5.127 1.00 2.45 H new ATOM 0 HA VAL A 26 15.938 -0.175 4.888 1.00 33.22 H new ATOM 0 HB VAL A 26 18.017 -1.178 5.868 1.00 11.32 H new ATOM 0 HG11 VAL A 26 19.561 -0.298 4.166 1.00 4.43 H new ATOM 0 HG12 VAL A 26 17.933 -0.571 3.502 1.00 4.43 H new ATOM 0 HG13 VAL A 26 18.469 1.080 3.893 1.00 4.43 H new ATOM 0 HG21 VAL A 26 19.853 0.316 6.543 1.00 74.21 H new ATOM 0 HG22 VAL A 26 18.772 1.719 6.366 1.00 74.21 H new ATOM 0 HG23 VAL A 26 18.437 0.488 7.607 1.00 74.21 H new ATOM 405 N GLU A 27 15.976 0.942 7.952 1.00 71.44 N ATOM 406 CA GLU A 27 15.459 0.729 9.298 1.00 12.03 C ATOM 407 C GLU A 27 13.933 0.770 9.308 1.00 24.31 C ATOM 408 O GLU A 27 13.286 0.061 10.080 1.00 63.23 O ATOM 409 CB GLU A 27 16.014 1.786 10.255 1.00 43.53 C ATOM 410 CG GLU A 27 17.466 1.556 10.641 1.00 74.33 C ATOM 411 CD GLU A 27 18.051 2.713 11.426 1.00 24.24 C ATOM 412 OE1 GLU A 27 17.436 3.115 12.436 1.00 41.40 O ATOM 413 OE2 GLU A 27 19.124 3.216 11.032 1.00 21.21 O ATOM 0 H GLU A 27 16.366 1.871 7.791 1.00 71.44 H new ATOM 0 HA GLU A 27 15.781 -0.258 9.631 1.00 12.03 H new ATOM 0 HB2 GLU A 27 15.921 2.768 9.791 1.00 43.53 H new ATOM 0 HB3 GLU A 27 15.405 1.801 11.159 1.00 43.53 H new ATOM 0 HG2 GLU A 27 17.540 0.645 11.234 1.00 74.33 H new ATOM 0 HG3 GLU A 27 18.057 1.398 9.739 1.00 74.33 H new ATOM 420 N THR A 28 13.364 1.606 8.445 1.00 31.43 N ATOM 421 CA THR A 28 11.916 1.741 8.355 1.00 54.22 C ATOM 422 C THR A 28 11.278 0.472 7.800 1.00 2.42 C ATOM 423 O THR A 28 10.419 -0.134 8.440 1.00 2.15 O ATOM 424 CB THR A 28 11.518 2.934 7.465 1.00 75.43 C ATOM 425 OG1 THR A 28 12.498 3.972 7.569 1.00 63.32 O ATOM 426 CG2 THR A 28 10.154 3.476 7.864 1.00 35.34 C ATOM 0 H THR A 28 13.884 2.199 7.799 1.00 31.43 H new ATOM 0 HA THR A 28 11.551 1.914 9.367 1.00 54.22 H new ATOM 0 HB THR A 28 11.466 2.587 6.433 1.00 75.43 H new ATOM 0 HG1 THR A 28 12.238 4.726 6.999 1.00 63.32 H new ATOM 0 HG21 THR A 28 9.895 4.318 7.222 1.00 35.34 H new ATOM 0 HG22 THR A 28 9.405 2.692 7.755 1.00 35.34 H new ATOM 0 HG23 THR A 28 10.184 3.808 8.902 1.00 35.34 H new ATOM 434 N VAL A 29 11.705 0.075 6.605 1.00 34.05 N ATOM 435 CA VAL A 29 11.176 -1.124 5.965 1.00 4.31 C ATOM 436 C VAL A 29 11.332 -2.343 6.867 1.00 11.33 C ATOM 437 O VAL A 29 10.581 -3.313 6.754 1.00 1.51 O ATOM 438 CB VAL A 29 11.880 -1.399 4.623 1.00 73.13 C ATOM 439 CG1 VAL A 29 11.284 -2.626 3.950 1.00 63.42 C ATOM 440 CG2 VAL A 29 11.785 -0.184 3.713 1.00 3.50 C ATOM 0 H VAL A 29 12.415 0.566 6.061 1.00 34.05 H new ATOM 0 HA VAL A 29 10.117 -0.945 5.782 1.00 4.31 H new ATOM 0 HB VAL A 29 12.934 -1.596 4.819 1.00 73.13 H new ATOM 0 HG11 VAL A 29 11.794 -2.805 3.003 1.00 63.42 H new ATOM 0 HG12 VAL A 29 11.408 -3.493 4.599 1.00 63.42 H new ATOM 0 HG13 VAL A 29 10.223 -2.460 3.765 1.00 63.42 H new ATOM 0 HG21 VAL A 29 12.288 -0.396 2.769 1.00 3.50 H new ATOM 0 HG22 VAL A 29 10.737 0.047 3.522 1.00 3.50 H new ATOM 0 HG23 VAL A 29 12.262 0.669 4.195 1.00 3.50 H new ATOM 450 N LEU A 30 12.311 -2.287 7.764 1.00 73.23 N ATOM 451 CA LEU A 30 12.565 -3.387 8.688 1.00 64.14 C ATOM 452 C LEU A 30 11.439 -3.513 9.708 1.00 75.42 C ATOM 453 O LEU A 30 11.025 -4.619 10.057 1.00 40.41 O ATOM 454 CB LEU A 30 13.899 -3.177 9.407 1.00 12.50 C ATOM 455 CG LEU A 30 14.666 -4.445 9.784 1.00 51.55 C ATOM 456 CD1 LEU A 30 14.995 -5.258 8.541 1.00 31.05 C ATOM 457 CD2 LEU A 30 15.936 -4.093 10.545 1.00 33.41 C ATOM 0 H LEU A 30 12.941 -1.492 7.871 1.00 73.23 H new ATOM 0 HA LEU A 30 12.612 -4.310 8.111 1.00 64.14 H new ATOM 0 HB2 LEU A 30 14.539 -2.565 8.771 1.00 12.50 H new ATOM 0 HB3 LEU A 30 13.713 -2.605 10.316 1.00 12.50 H new ATOM 0 HG LEU A 30 14.034 -5.051 10.433 1.00 51.55 H new ATOM 0 HD11 LEU A 30 15.541 -6.157 8.828 1.00 31.05 H new ATOM 0 HD12 LEU A 30 14.071 -5.540 8.036 1.00 31.05 H new ATOM 0 HD13 LEU A 30 15.609 -4.660 7.867 1.00 31.05 H new ATOM 0 HD21 LEU A 30 16.469 -5.007 10.805 1.00 33.41 H new ATOM 0 HD22 LEU A 30 16.573 -3.467 9.920 1.00 33.41 H new ATOM 0 HD23 LEU A 30 15.677 -3.552 11.455 1.00 33.41 H new ATOM 469 N ALA A 31 10.945 -2.374 10.180 1.00 12.44 N ATOM 470 CA ALA A 31 9.863 -2.357 11.157 1.00 12.40 C ATOM 471 C ALA A 31 8.531 -2.714 10.507 1.00 55.54 C ATOM 472 O ALA A 31 7.656 -3.302 11.143 1.00 44.44 O ATOM 473 CB ALA A 31 9.777 -0.993 11.826 1.00 1.21 C ATOM 0 H ALA A 31 11.277 -1.450 9.902 1.00 12.44 H new ATOM 0 HA ALA A 31 10.080 -3.109 11.916 1.00 12.40 H new ATOM 0 HB1 ALA A 31 8.965 -0.995 12.553 1.00 1.21 H new ATOM 0 HB2 ALA A 31 10.717 -0.776 12.333 1.00 1.21 H new ATOM 0 HB3 ALA A 31 9.587 -0.229 11.072 1.00 1.21 H new ATOM 479 N ALA A 32 8.382 -2.353 9.236 1.00 64.31 N ATOM 480 CA ALA A 32 7.157 -2.637 8.499 1.00 11.04 C ATOM 481 C ALA A 32 7.177 -4.049 7.924 1.00 51.25 C ATOM 482 O ALA A 32 6.130 -4.623 7.628 1.00 61.32 O ATOM 483 CB ALA A 32 6.960 -1.615 7.390 1.00 54.13 C ATOM 0 H ALA A 32 9.095 -1.863 8.696 1.00 64.31 H new ATOM 0 HA ALA A 32 6.320 -2.568 9.194 1.00 11.04 H new ATOM 0 HB1 ALA A 32 6.041 -1.839 6.848 1.00 54.13 H new ATOM 0 HB2 ALA A 32 6.892 -0.617 7.823 1.00 54.13 H new ATOM 0 HB3 ALA A 32 7.806 -1.655 6.704 1.00 54.13 H new ATOM 489 N ASN A 33 8.375 -4.602 7.766 1.00 2.13 N ATOM 490 CA ASN A 33 8.531 -5.947 7.224 1.00 10.21 C ATOM 491 C ASN A 33 9.491 -6.770 8.078 1.00 13.21 C ATOM 492 O ASN A 33 10.642 -7.005 7.711 1.00 71.44 O ATOM 493 CB ASN A 33 9.040 -5.882 5.783 1.00 64.32 C ATOM 494 CG ASN A 33 8.024 -5.272 4.837 1.00 0.33 C ATOM 495 OD1 ASN A 33 7.296 -5.984 4.146 1.00 30.53 O ATOM 496 ND2 ASN A 33 7.971 -3.945 4.802 1.00 33.35 N ATOM 0 H ASN A 33 9.252 -4.140 8.006 1.00 2.13 H new ATOM 0 HA ASN A 33 7.555 -6.432 7.236 1.00 10.21 H new ATOM 0 HB2 ASN A 33 9.959 -5.297 5.751 1.00 64.32 H new ATOM 0 HB3 ASN A 33 9.291 -6.887 5.444 1.00 64.32 H new ATOM 0 HD21 ASN A 33 7.307 -3.477 4.185 1.00 33.35 H new ATOM 0 HD22 ASN A 33 8.594 -3.394 5.393 1.00 33.35 H new ATOM 503 N PRO A 34 9.007 -7.219 9.246 1.00 42.21 N ATOM 504 CA PRO A 34 9.805 -8.023 10.176 1.00 32.41 C ATOM 505 C PRO A 34 10.082 -9.424 9.640 1.00 2.24 C ATOM 506 O PRO A 34 9.286 -9.979 8.884 1.00 2.41 O ATOM 507 CB PRO A 34 8.926 -8.094 11.428 1.00 42.24 C ATOM 508 CG PRO A 34 7.536 -7.904 10.926 1.00 64.52 C ATOM 509 CD PRO A 34 7.644 -6.976 9.748 1.00 63.01 C ATOM 0 HA PRO A 34 10.788 -7.586 10.353 1.00 32.41 H new ATOM 0 HB2 PRO A 34 9.036 -9.052 11.935 1.00 42.24 H new ATOM 0 HB3 PRO A 34 9.197 -7.320 12.146 1.00 42.24 H new ATOM 0 HG2 PRO A 34 7.093 -8.856 10.633 1.00 64.52 H new ATOM 0 HG3 PRO A 34 6.896 -7.479 11.700 1.00 64.52 H new ATOM 0 HD2 PRO A 34 6.892 -7.198 8.991 1.00 63.01 H new ATOM 0 HD3 PRO A 34 7.503 -5.936 10.042 1.00 63.01 H new ATOM 517 N GLY A 35 11.217 -9.991 10.038 1.00 2.14 N ATOM 518 CA GLY A 35 11.579 -11.322 9.588 1.00 31.34 C ATOM 519 C GLY A 35 12.375 -11.302 8.299 1.00 72.14 C ATOM 520 O GLY A 35 12.976 -12.307 7.915 1.00 13.22 O ATOM 0 H GLY A 35 11.892 -9.552 10.664 1.00 2.14 H new ATOM 0 HA2 GLY A 35 12.162 -11.818 10.364 1.00 31.34 H new ATOM 0 HA3 GLY A 35 10.674 -11.912 9.443 1.00 31.34 H new ATOM 524 N LEU A 36 12.379 -10.157 7.626 1.00 51.33 N ATOM 525 CA LEU A 36 13.106 -10.010 6.370 1.00 50.14 C ATOM 526 C LEU A 36 14.592 -9.779 6.624 1.00 21.43 C ATOM 527 O LEU A 36 15.424 -9.996 5.744 1.00 72.42 O ATOM 528 CB LEU A 36 12.530 -8.849 5.557 1.00 41.11 C ATOM 529 CG LEU A 36 12.445 -9.065 4.046 1.00 43.55 C ATOM 530 CD1 LEU A 36 13.836 -9.214 3.449 1.00 61.22 C ATOM 531 CD2 LEU A 36 11.593 -10.284 3.728 1.00 74.31 C ATOM 0 H LEU A 36 11.887 -9.317 7.929 1.00 51.33 H new ATOM 0 HA LEU A 36 12.992 -10.934 5.803 1.00 50.14 H new ATOM 0 HB2 LEU A 36 11.529 -8.632 5.930 1.00 41.11 H new ATOM 0 HB3 LEU A 36 13.138 -7.964 5.744 1.00 41.11 H new ATOM 0 HG LEU A 36 11.972 -8.190 3.600 1.00 43.55 H new ATOM 0 HD11 LEU A 36 13.756 -9.367 2.373 1.00 61.22 H new ATOM 0 HD12 LEU A 36 14.415 -8.311 3.645 1.00 61.22 H new ATOM 0 HD13 LEU A 36 14.336 -10.071 3.901 1.00 61.22 H new ATOM 0 HD21 LEU A 36 11.544 -10.422 2.648 1.00 74.31 H new ATOM 0 HD22 LEU A 36 12.037 -11.168 4.187 1.00 74.31 H new ATOM 0 HD23 LEU A 36 10.587 -10.137 4.121 1.00 74.31 H new ATOM 543 N ALA A 37 14.918 -9.340 7.836 1.00 64.35 N ATOM 544 CA ALA A 37 16.304 -9.085 8.208 1.00 44.33 C ATOM 545 C ALA A 37 17.063 -10.389 8.430 1.00 54.02 C ATOM 546 O ALA A 37 18.277 -10.385 8.628 1.00 41.14 O ATOM 547 CB ALA A 37 16.364 -8.218 9.457 1.00 42.13 C ATOM 0 H ALA A 37 14.241 -9.154 8.576 1.00 64.35 H new ATOM 0 HA ALA A 37 16.782 -8.553 7.386 1.00 44.33 H new ATOM 0 HB1 ALA A 37 17.405 -8.035 9.724 1.00 42.13 H new ATOM 0 HB2 ALA A 37 15.867 -7.267 9.264 1.00 42.13 H new ATOM 0 HB3 ALA A 37 15.863 -8.729 10.279 1.00 42.13 H new ATOM 553 N GLU A 38 16.338 -11.503 8.396 1.00 14.24 N ATOM 554 CA GLU A 38 16.943 -12.814 8.596 1.00 65.01 C ATOM 555 C GLU A 38 17.408 -13.406 7.269 1.00 63.35 C ATOM 556 O GLU A 38 18.373 -14.171 7.221 1.00 52.14 O ATOM 557 CB GLU A 38 15.950 -13.762 9.270 1.00 73.40 C ATOM 558 CG GLU A 38 15.518 -13.308 10.654 1.00 55.21 C ATOM 559 CD GLU A 38 16.419 -13.841 11.751 1.00 55.11 C ATOM 560 OE1 GLU A 38 16.642 -15.069 11.790 1.00 73.11 O ATOM 561 OE2 GLU A 38 16.900 -13.031 12.570 1.00 10.20 O ATOM 0 H GLU A 38 15.331 -11.523 8.232 1.00 14.24 H new ATOM 0 HA GLU A 38 17.811 -12.690 9.243 1.00 65.01 H new ATOM 0 HB2 GLU A 38 15.068 -13.860 8.637 1.00 73.40 H new ATOM 0 HB3 GLU A 38 16.400 -14.752 9.346 1.00 73.40 H new ATOM 0 HG2 GLU A 38 15.514 -12.219 10.690 1.00 55.21 H new ATOM 0 HG3 GLU A 38 14.495 -13.637 10.837 1.00 55.21 H new ATOM 568 N LEU A 39 16.715 -13.048 6.193 1.00 24.41 N ATOM 569 CA LEU A 39 17.056 -13.544 4.864 1.00 73.11 C ATOM 570 C LEU A 39 18.510 -13.236 4.524 1.00 64.22 C ATOM 571 O LEU A 39 19.273 -14.127 4.152 1.00 44.55 O ATOM 572 CB LEU A 39 16.132 -12.923 3.815 1.00 41.14 C ATOM 573 CG LEU A 39 15.384 -13.905 2.913 1.00 35.43 C ATOM 574 CD1 LEU A 39 14.627 -14.927 3.749 1.00 44.50 C ATOM 575 CD2 LEU A 39 14.432 -13.161 1.988 1.00 61.44 C ATOM 0 H LEU A 39 15.914 -12.417 6.215 1.00 24.41 H new ATOM 0 HA LEU A 39 16.924 -14.626 4.862 1.00 73.11 H new ATOM 0 HB2 LEU A 39 15.398 -12.302 4.329 1.00 41.14 H new ATOM 0 HB3 LEU A 39 16.725 -12.261 3.184 1.00 41.14 H new ATOM 0 HG LEU A 39 16.114 -14.435 2.301 1.00 35.43 H new ATOM 0 HD11 LEU A 39 14.101 -15.618 3.090 1.00 44.50 H new ATOM 0 HD12 LEU A 39 15.330 -15.482 4.370 1.00 44.50 H new ATOM 0 HD13 LEU A 39 13.907 -14.414 4.387 1.00 44.50 H new ATOM 0 HD21 LEU A 39 13.908 -13.876 1.353 1.00 61.44 H new ATOM 0 HD22 LEU A 39 13.707 -12.605 2.583 1.00 61.44 H new ATOM 0 HD23 LEU A 39 14.997 -12.469 1.364 1.00 61.44 H new ATOM 587 N GLY A 40 18.888 -11.968 4.657 1.00 64.35 N ATOM 588 CA GLY A 40 20.251 -11.566 4.361 1.00 0.34 C ATOM 589 C GLY A 40 20.504 -11.422 2.874 1.00 53.42 C ATOM 590 O GLY A 40 20.383 -10.329 2.320 1.00 72.42 O ATOM 0 H GLY A 40 18.275 -11.213 4.964 1.00 64.35 H new ATOM 0 HA2 GLY A 40 20.462 -10.618 4.856 1.00 0.34 H new ATOM 0 HA3 GLY A 40 20.941 -12.302 4.774 1.00 0.34 H new ATOM 594 N ALA A 41 20.857 -12.527 2.225 1.00 4.55 N ATOM 595 CA ALA A 41 21.128 -12.518 0.793 1.00 34.41 C ATOM 596 C ALA A 41 19.911 -12.040 0.008 1.00 62.33 C ATOM 597 O ALA A 41 18.925 -11.586 0.587 1.00 12.33 O ATOM 598 CB ALA A 41 21.547 -13.905 0.327 1.00 5.25 C ATOM 0 H ALA A 41 20.962 -13.440 2.668 1.00 4.55 H new ATOM 0 HA ALA A 41 21.945 -11.821 0.607 1.00 34.41 H new ATOM 0 HB1 ALA A 41 21.746 -13.884 -0.744 1.00 5.25 H new ATOM 0 HB2 ALA A 41 22.449 -14.210 0.858 1.00 5.25 H new ATOM 0 HB3 ALA A 41 20.746 -14.615 0.533 1.00 5.25 H new ATOM 604 N VAL A 42 19.988 -12.145 -1.315 1.00 70.32 N ATOM 605 CA VAL A 42 18.893 -11.724 -2.180 1.00 53.25 C ATOM 606 C VAL A 42 17.580 -12.379 -1.765 1.00 5.05 C ATOM 607 O VAL A 42 17.567 -13.504 -1.264 1.00 71.52 O ATOM 608 CB VAL A 42 19.179 -12.065 -3.655 1.00 2.41 C ATOM 609 CG1 VAL A 42 18.077 -11.523 -4.552 1.00 51.03 C ATOM 610 CG2 VAL A 42 20.536 -11.518 -4.074 1.00 33.22 C ATOM 0 H VAL A 42 20.798 -12.518 -1.811 1.00 70.32 H new ATOM 0 HA VAL A 42 18.806 -10.643 -2.074 1.00 53.25 H new ATOM 0 HB VAL A 42 19.201 -13.150 -3.762 1.00 2.41 H new ATOM 0 HG11 VAL A 42 18.296 -11.774 -5.590 1.00 51.03 H new ATOM 0 HG12 VAL A 42 17.123 -11.967 -4.265 1.00 51.03 H new ATOM 0 HG13 VAL A 42 18.020 -10.440 -4.445 1.00 51.03 H new ATOM 0 HG21 VAL A 42 20.722 -11.768 -5.119 1.00 33.22 H new ATOM 0 HG22 VAL A 42 20.545 -10.435 -3.953 1.00 33.22 H new ATOM 0 HG23 VAL A 42 21.314 -11.959 -3.451 1.00 33.22 H new ATOM 620 N LEU A 43 16.478 -11.668 -1.975 1.00 22.12 N ATOM 621 CA LEU A 43 15.159 -12.180 -1.622 1.00 75.43 C ATOM 622 C LEU A 43 14.592 -13.043 -2.745 1.00 73.50 C ATOM 623 O LEU A 43 14.923 -12.874 -3.919 1.00 32.53 O ATOM 624 CB LEU A 43 14.204 -11.023 -1.322 1.00 22.33 C ATOM 625 CG LEU A 43 14.828 -9.792 -0.665 1.00 5.24 C ATOM 626 CD1 LEU A 43 13.841 -8.636 -0.651 1.00 14.40 C ATOM 627 CD2 LEU A 43 15.291 -10.118 0.748 1.00 15.42 C ATOM 0 H LEU A 43 16.472 -10.735 -2.388 1.00 22.12 H new ATOM 0 HA LEU A 43 15.263 -12.798 -0.730 1.00 75.43 H new ATOM 0 HB2 LEU A 43 13.735 -10.713 -2.256 1.00 22.33 H new ATOM 0 HB3 LEU A 43 13.409 -11.393 -0.674 1.00 22.33 H new ATOM 0 HG LEU A 43 15.697 -9.493 -1.251 1.00 5.24 H new ATOM 0 HD11 LEU A 43 14.303 -7.769 -0.179 1.00 14.40 H new ATOM 0 HD12 LEU A 43 13.559 -8.386 -1.674 1.00 14.40 H new ATOM 0 HD13 LEU A 43 12.952 -8.923 -0.090 1.00 14.40 H new ATOM 0 HD21 LEU A 43 15.733 -9.230 1.200 1.00 15.42 H new ATOM 0 HD22 LEU A 43 14.438 -10.443 1.344 1.00 15.42 H new ATOM 0 HD23 LEU A 43 16.034 -10.915 0.713 1.00 15.42 H new ATOM 639 N PRO A 44 13.715 -13.990 -2.379 1.00 31.21 N ATOM 640 CA PRO A 44 13.081 -14.897 -3.341 1.00 1.32 C ATOM 641 C PRO A 44 12.080 -14.180 -4.241 1.00 4.33 C ATOM 642 O PRO A 44 11.200 -13.464 -3.761 1.00 24.20 O ATOM 643 CB PRO A 44 12.365 -15.915 -2.450 1.00 1.01 C ATOM 644 CG PRO A 44 12.116 -15.191 -1.172 1.00 21.22 C ATOM 645 CD PRO A 44 13.274 -14.248 -0.998 1.00 23.13 C ATOM 0 HA PRO A 44 13.807 -15.342 -4.021 1.00 1.32 H new ATOM 0 HB2 PRO A 44 11.432 -16.251 -2.903 1.00 1.01 H new ATOM 0 HB3 PRO A 44 12.979 -16.802 -2.290 1.00 1.01 H new ATOM 0 HG2 PRO A 44 11.172 -14.647 -1.209 1.00 21.22 H new ATOM 0 HG3 PRO A 44 12.050 -15.887 -0.336 1.00 21.22 H new ATOM 0 HD2 PRO A 44 12.972 -13.330 -0.495 1.00 23.13 H new ATOM 0 HD3 PRO A 44 14.068 -14.693 -0.399 1.00 23.13 H new ATOM 653 N HIS A 45 12.220 -14.376 -5.548 1.00 23.21 N ATOM 654 CA HIS A 45 11.327 -13.749 -6.515 1.00 41.42 C ATOM 655 C HIS A 45 9.867 -13.979 -6.136 1.00 3.01 C ATOM 656 O HIS A 45 9.337 -15.076 -6.305 1.00 24.30 O ATOM 657 CB HIS A 45 11.594 -14.296 -7.918 1.00 2.23 C ATOM 658 CG HIS A 45 11.582 -15.792 -7.989 1.00 51.23 C ATOM 659 ND1 HIS A 45 10.488 -16.516 -8.413 1.00 15.03 N ATOM 660 CD2 HIS A 45 12.540 -16.700 -7.690 1.00 74.30 C ATOM 661 CE1 HIS A 45 10.772 -17.805 -8.369 1.00 71.30 C ATOM 662 NE2 HIS A 45 12.011 -17.944 -7.934 1.00 64.13 N ATOM 0 H HIS A 45 12.943 -14.964 -5.962 1.00 23.21 H new ATOM 0 HA HIS A 45 11.521 -12.676 -6.508 1.00 41.42 H new ATOM 0 HB2 HIS A 45 10.842 -13.902 -8.602 1.00 2.23 H new ATOM 0 HB3 HIS A 45 12.562 -13.932 -8.263 1.00 2.23 H new ATOM 0 HD2 HIS A 45 13.535 -16.486 -7.327 1.00 74.30 H new ATOM 0 HE1 HIS A 45 10.104 -18.609 -8.642 1.00 71.30 H new ATOM 0 HE2 HIS A 45 12.496 -18.831 -7.801 1.00 64.13 H new ATOM 670 N GLY A 46 9.223 -12.936 -5.621 1.00 73.12 N ATOM 671 CA GLY A 46 7.831 -13.046 -5.225 1.00 51.03 C ATOM 672 C GLY A 46 7.595 -12.586 -3.800 1.00 65.22 C ATOM 673 O GLY A 46 6.489 -12.709 -3.274 1.00 73.02 O ATOM 0 H GLY A 46 9.640 -12.017 -5.471 1.00 73.12 H new ATOM 0 HA2 GLY A 46 7.216 -12.452 -5.902 1.00 51.03 H new ATOM 0 HA3 GLY A 46 7.508 -14.082 -5.327 1.00 51.03 H new ATOM 677 N THR A 47 8.640 -12.056 -3.171 1.00 14.12 N ATOM 678 CA THR A 47 8.543 -11.579 -1.797 1.00 54.11 C ATOM 679 C THR A 47 7.651 -10.346 -1.705 1.00 4.41 C ATOM 680 O THR A 47 7.871 -9.356 -2.402 1.00 45.21 O ATOM 681 CB THR A 47 9.930 -11.240 -1.221 1.00 2.22 C ATOM 682 OG1 THR A 47 10.775 -12.395 -1.265 1.00 33.44 O ATOM 683 CG2 THR A 47 9.814 -10.744 0.213 1.00 64.13 C ATOM 0 H THR A 47 9.563 -11.946 -3.591 1.00 14.12 H new ATOM 0 HA THR A 47 8.103 -12.387 -1.212 1.00 54.11 H new ATOM 0 HB THR A 47 10.367 -10.448 -1.829 1.00 2.22 H new ATOM 0 HG1 THR A 47 10.941 -12.643 -2.198 1.00 33.44 H new ATOM 0 HG21 THR A 47 10.806 -10.511 0.599 1.00 64.13 H new ATOM 0 HG22 THR A 47 9.195 -9.847 0.239 1.00 64.13 H new ATOM 0 HG23 THR A 47 9.358 -11.518 0.830 1.00 64.13 H new ATOM 691 N ALA A 48 6.645 -10.412 -0.840 1.00 12.04 N ATOM 692 CA ALA A 48 5.722 -9.299 -0.655 1.00 30.04 C ATOM 693 C ALA A 48 6.230 -8.336 0.413 1.00 62.10 C ATOM 694 O ALA A 48 6.067 -8.577 1.609 1.00 23.12 O ATOM 695 CB ALA A 48 4.339 -9.816 -0.287 1.00 10.24 C ATOM 0 H ALA A 48 6.448 -11.225 -0.256 1.00 12.04 H new ATOM 0 HA ALA A 48 5.656 -8.754 -1.597 1.00 30.04 H new ATOM 0 HB1 ALA A 48 3.660 -8.974 -0.152 1.00 10.24 H new ATOM 0 HB2 ALA A 48 3.966 -10.458 -1.085 1.00 10.24 H new ATOM 0 HB3 ALA A 48 4.399 -10.387 0.640 1.00 10.24 H new ATOM 701 N VAL A 49 6.848 -7.244 -0.027 1.00 73.21 N ATOM 702 CA VAL A 49 7.380 -6.244 0.891 1.00 72.30 C ATOM 703 C VAL A 49 6.606 -4.935 0.787 1.00 74.24 C ATOM 704 O VAL A 49 6.348 -4.441 -0.311 1.00 30.43 O ATOM 705 CB VAL A 49 8.871 -5.969 0.619 1.00 73.51 C ATOM 706 CG1 VAL A 49 9.402 -4.913 1.576 1.00 63.15 C ATOM 707 CG2 VAL A 49 9.678 -7.254 0.729 1.00 74.43 C ATOM 0 H VAL A 49 6.992 -7.030 -1.014 1.00 73.21 H new ATOM 0 HA VAL A 49 7.270 -6.648 1.897 1.00 72.30 H new ATOM 0 HB VAL A 49 8.973 -5.588 -0.397 1.00 73.51 H new ATOM 0 HG11 VAL A 49 10.457 -4.732 1.369 1.00 63.15 H new ATOM 0 HG12 VAL A 49 8.842 -3.987 1.444 1.00 63.15 H new ATOM 0 HG13 VAL A 49 9.288 -5.262 2.602 1.00 63.15 H new ATOM 0 HG21 VAL A 49 10.729 -7.041 0.534 1.00 74.43 H new ATOM 0 HG22 VAL A 49 9.571 -7.666 1.733 1.00 74.43 H new ATOM 0 HG23 VAL A 49 9.313 -7.977 -0.001 1.00 74.43 H new ATOM 717 N GLU A 50 6.238 -4.378 1.936 1.00 10.02 N ATOM 718 CA GLU A 50 5.493 -3.125 1.973 1.00 35.33 C ATOM 719 C GLU A 50 6.440 -1.929 1.996 1.00 34.05 C ATOM 720 O GLU A 50 7.525 -1.993 2.575 1.00 63.32 O ATOM 721 CB GLU A 50 4.576 -3.088 3.198 1.00 53.33 C ATOM 722 CG GLU A 50 3.606 -1.918 3.196 1.00 33.21 C ATOM 723 CD GLU A 50 4.191 -0.674 3.836 1.00 33.22 C ATOM 724 OE1 GLU A 50 5.050 -0.815 4.731 1.00 11.22 O ATOM 725 OE2 GLU A 50 3.789 0.440 3.441 1.00 12.41 O ATOM 0 H GLU A 50 6.443 -4.774 2.853 1.00 10.02 H new ATOM 0 HA GLU A 50 4.885 -3.067 1.070 1.00 35.33 H new ATOM 0 HB2 GLU A 50 4.010 -4.018 3.246 1.00 53.33 H new ATOM 0 HB3 GLU A 50 5.188 -3.040 4.099 1.00 53.33 H new ATOM 0 HG2 GLU A 50 3.317 -1.692 2.170 1.00 33.21 H new ATOM 0 HG3 GLU A 50 2.698 -2.203 3.728 1.00 33.21 H new ATOM 732 N LEU A 51 6.021 -0.839 1.363 1.00 3.34 N ATOM 733 CA LEU A 51 6.832 0.373 1.310 1.00 14.31 C ATOM 734 C LEU A 51 6.219 1.476 2.168 1.00 61.12 C ATOM 735 O LEU A 51 5.368 2.244 1.720 1.00 40.54 O ATOM 736 CB LEU A 51 6.971 0.854 -0.135 1.00 60.04 C ATOM 737 CG LEU A 51 7.435 -0.193 -1.149 1.00 51.30 C ATOM 738 CD1 LEU A 51 7.561 0.424 -2.533 1.00 44.13 C ATOM 739 CD2 LEU A 51 8.757 -0.807 -0.714 1.00 24.01 C ATOM 0 H LEU A 51 5.126 -0.769 0.880 1.00 3.34 H new ATOM 0 HA LEU A 51 7.820 0.137 1.705 1.00 14.31 H new ATOM 0 HB2 LEU A 51 6.007 1.245 -0.461 1.00 60.04 H new ATOM 0 HB3 LEU A 51 7.675 1.686 -0.154 1.00 60.04 H new ATOM 0 HG LEU A 51 6.687 -0.985 -1.194 1.00 51.30 H new ATOM 0 HD11 LEU A 51 7.892 -0.336 -3.241 1.00 44.13 H new ATOM 0 HD12 LEU A 51 6.593 0.815 -2.846 1.00 44.13 H new ATOM 0 HD13 LEU A 51 8.288 1.235 -2.505 1.00 44.13 H new ATOM 0 HD21 LEU A 51 9.072 -1.550 -1.447 1.00 24.01 H new ATOM 0 HD22 LEU A 51 9.514 -0.026 -0.640 1.00 24.01 H new ATOM 0 HD23 LEU A 51 8.634 -1.286 0.257 1.00 24.01 H new ATOM 751 N PRO A 52 6.662 1.558 3.431 1.00 4.40 N ATOM 752 CA PRO A 52 6.173 2.565 4.377 1.00 3.54 C ATOM 753 C PRO A 52 6.639 3.973 4.019 1.00 73.55 C ATOM 754 O PRO A 52 7.688 4.151 3.400 1.00 61.42 O ATOM 755 CB PRO A 52 6.782 2.125 5.711 1.00 64.43 C ATOM 756 CG PRO A 52 8.001 1.354 5.334 1.00 14.24 C ATOM 757 CD PRO A 52 7.676 0.675 4.033 1.00 54.34 C ATOM 0 HA PRO A 52 5.084 2.619 4.386 1.00 3.54 H new ATOM 0 HB2 PRO A 52 7.033 2.983 6.334 1.00 64.43 H new ATOM 0 HB3 PRO A 52 6.085 1.510 6.281 1.00 64.43 H new ATOM 0 HG2 PRO A 52 8.862 2.014 5.225 1.00 14.24 H new ATOM 0 HG3 PRO A 52 8.254 0.624 6.103 1.00 14.24 H new ATOM 0 HD2 PRO A 52 8.556 0.582 3.397 1.00 54.34 H new ATOM 0 HD3 PRO A 52 7.289 -0.332 4.191 1.00 54.34 H new ATOM 765 N ASP A 53 5.852 4.969 4.411 1.00 64.31 N ATOM 766 CA ASP A 53 6.185 6.361 4.132 1.00 61.13 C ATOM 767 C ASP A 53 6.207 6.624 2.629 1.00 34.32 C ATOM 768 O ASP A 53 7.037 7.385 2.133 1.00 1.33 O ATOM 769 CB ASP A 53 7.541 6.716 4.744 1.00 41.04 C ATOM 770 CG ASP A 53 7.614 8.164 5.188 1.00 23.43 C ATOM 771 OD1 ASP A 53 7.211 8.454 6.334 1.00 23.33 O ATOM 772 OD2 ASP A 53 8.075 9.006 4.391 1.00 44.25 O ATOM 0 H ASP A 53 4.979 4.838 4.923 1.00 64.31 H new ATOM 0 HA ASP A 53 5.416 6.990 4.582 1.00 61.13 H new ATOM 0 HB2 ASP A 53 7.732 6.067 5.599 1.00 41.04 H new ATOM 0 HB3 ASP A 53 8.328 6.522 4.015 1.00 41.04 H new ATOM 777 N VAL A 54 5.288 5.987 1.909 1.00 45.11 N ATOM 778 CA VAL A 54 5.202 6.152 0.463 1.00 72.22 C ATOM 779 C VAL A 54 3.833 6.682 0.051 1.00 2.42 C ATOM 780 O VAL A 54 2.817 6.341 0.656 1.00 63.31 O ATOM 781 CB VAL A 54 5.467 4.823 -0.270 1.00 50.43 C ATOM 782 CG1 VAL A 54 5.311 5.002 -1.773 1.00 2.13 C ATOM 783 CG2 VAL A 54 6.852 4.294 0.071 1.00 14.13 C ATOM 0 H VAL A 54 4.593 5.353 2.304 1.00 45.11 H new ATOM 0 HA VAL A 54 5.968 6.874 0.180 1.00 72.22 H new ATOM 0 HB VAL A 54 4.731 4.091 0.063 1.00 50.43 H new ATOM 0 HG11 VAL A 54 5.502 4.053 -2.274 1.00 2.13 H new ATOM 0 HG12 VAL A 54 4.297 5.333 -1.997 1.00 2.13 H new ATOM 0 HG13 VAL A 54 6.022 5.748 -2.126 1.00 2.13 H new ATOM 0 HG21 VAL A 54 7.022 3.355 -0.455 1.00 14.13 H new ATOM 0 HG22 VAL A 54 7.604 5.022 -0.233 1.00 14.13 H new ATOM 0 HG23 VAL A 54 6.923 4.126 1.146 1.00 14.13 H new ATOM 793 N GLN A 55 3.815 7.519 -0.982 1.00 20.25 N ATOM 794 CA GLN A 55 2.570 8.097 -1.474 1.00 22.11 C ATOM 795 C GLN A 55 1.891 7.161 -2.468 1.00 31.32 C ATOM 796 O GLN A 55 2.508 6.225 -2.978 1.00 60.01 O ATOM 797 CB GLN A 55 2.838 9.452 -2.132 1.00 73.41 C ATOM 798 CG GLN A 55 2.936 10.600 -1.141 1.00 51.55 C ATOM 799 CD GLN A 55 1.583 11.192 -0.798 1.00 42.42 C ATOM 800 OE1 GLN A 55 0.719 11.339 -1.663 1.00 44.43 O ATOM 801 NE2 GLN A 55 1.392 11.536 0.470 1.00 34.22 N ATOM 0 H GLN A 55 4.648 7.811 -1.494 1.00 20.25 H new ATOM 0 HA GLN A 55 1.903 8.239 -0.624 1.00 22.11 H new ATOM 0 HB2 GLN A 55 3.766 9.393 -2.700 1.00 73.41 H new ATOM 0 HB3 GLN A 55 2.041 9.665 -2.844 1.00 73.41 H new ATOM 0 HG2 GLN A 55 3.416 10.247 -0.228 1.00 51.55 H new ATOM 0 HG3 GLN A 55 3.575 11.380 -1.556 1.00 51.55 H new ATOM 0 HE21 GLN A 55 2.136 11.396 1.154 1.00 34.22 H new ATOM 0 HE22 GLN A 55 0.501 11.940 0.760 1.00 34.22 H new ATOM 810 N THR A 56 0.615 7.418 -2.739 1.00 41.12 N ATOM 811 CA THR A 56 -0.149 6.598 -3.671 1.00 22.14 C ATOM 812 C THR A 56 0.482 6.610 -5.058 1.00 72.44 C ATOM 813 O THR A 56 1.551 7.185 -5.260 1.00 12.11 O ATOM 814 CB THR A 56 -1.608 7.080 -3.778 1.00 43.40 C ATOM 815 OG1 THR A 56 -2.405 6.089 -4.435 1.00 24.41 O ATOM 816 CG2 THR A 56 -1.689 8.392 -4.544 1.00 2.30 C ATOM 0 H THR A 56 0.089 8.188 -2.326 1.00 41.12 H new ATOM 0 HA THR A 56 -0.139 5.581 -3.279 1.00 22.14 H new ATOM 0 HB THR A 56 -1.989 7.241 -2.770 1.00 43.40 H new ATOM 0 HG1 THR A 56 -2.055 5.197 -4.227 1.00 24.41 H new ATOM 0 HG21 THR A 56 -2.729 8.713 -4.607 1.00 2.30 H new ATOM 0 HG22 THR A 56 -1.105 9.153 -4.026 1.00 2.30 H new ATOM 0 HG23 THR A 56 -1.291 8.252 -5.549 1.00 2.30 H new ATOM 824 N ALA A 57 -0.187 5.971 -6.013 1.00 13.22 N ATOM 825 CA ALA A 57 0.307 5.911 -7.383 1.00 31.13 C ATOM 826 C ALA A 57 1.621 5.141 -7.459 1.00 32.21 C ATOM 827 O ALA A 57 2.325 4.967 -6.464 1.00 41.21 O ATOM 828 CB ALA A 57 0.482 7.315 -7.943 1.00 24.33 C ATOM 0 H ALA A 57 -1.073 5.488 -5.863 1.00 13.22 H new ATOM 0 HA ALA A 57 -0.430 5.381 -7.986 1.00 31.13 H new ATOM 0 HB1 ALA A 57 0.851 7.255 -8.967 1.00 24.33 H new ATOM 0 HB2 ALA A 57 -0.477 7.833 -7.933 1.00 24.33 H new ATOM 0 HB3 ALA A 57 1.197 7.864 -7.331 1.00 24.33 H new ATOM 834 N PRO A 58 1.960 4.666 -8.667 1.00 4.43 N ATOM 835 CA PRO A 58 3.192 3.907 -8.901 1.00 71.42 C ATOM 836 C PRO A 58 4.440 4.775 -8.783 1.00 20.42 C ATOM 837 O PRO A 58 4.369 5.927 -8.355 1.00 72.15 O ATOM 838 CB PRO A 58 3.028 3.399 -10.336 1.00 32.11 C ATOM 839 CG PRO A 58 2.104 4.375 -10.980 1.00 22.44 C ATOM 840 CD PRO A 58 1.169 4.836 -9.897 1.00 35.34 C ATOM 0 HA PRO A 58 3.328 3.114 -8.166 1.00 71.42 H new ATOM 0 HB2 PRO A 58 3.986 3.360 -10.854 1.00 32.11 H new ATOM 0 HB3 PRO A 58 2.614 2.391 -10.354 1.00 32.11 H new ATOM 0 HG2 PRO A 58 2.656 5.215 -11.403 1.00 22.44 H new ATOM 0 HG3 PRO A 58 1.554 3.910 -11.799 1.00 22.44 H new ATOM 0 HD2 PRO A 58 0.868 5.874 -10.041 1.00 35.34 H new ATOM 0 HD3 PRO A 58 0.257 4.240 -9.873 1.00 35.34 H new ATOM 848 N VAL A 59 5.583 4.214 -9.164 1.00 44.24 N ATOM 849 CA VAL A 59 6.848 4.938 -9.102 1.00 74.14 C ATOM 850 C VAL A 59 7.537 4.957 -10.462 1.00 50.31 C ATOM 851 O VAL A 59 7.344 4.058 -11.280 1.00 4.12 O ATOM 852 CB VAL A 59 7.801 4.315 -8.065 1.00 15.32 C ATOM 853 CG1 VAL A 59 8.258 2.938 -8.519 1.00 24.30 C ATOM 854 CG2 VAL A 59 8.992 5.229 -7.821 1.00 23.21 C ATOM 0 H VAL A 59 5.660 3.261 -9.519 1.00 44.24 H new ATOM 0 HA VAL A 59 6.614 5.959 -8.802 1.00 74.14 H new ATOM 0 HB VAL A 59 7.262 4.199 -7.124 1.00 15.32 H new ATOM 0 HG11 VAL A 59 8.931 2.514 -7.774 1.00 24.30 H new ATOM 0 HG12 VAL A 59 7.391 2.288 -8.638 1.00 24.30 H new ATOM 0 HG13 VAL A 59 8.780 3.024 -9.472 1.00 24.30 H new ATOM 0 HG21 VAL A 59 9.655 4.774 -7.086 1.00 23.21 H new ATOM 0 HG22 VAL A 59 9.534 5.378 -8.755 1.00 23.21 H new ATOM 0 HG23 VAL A 59 8.642 6.191 -7.447 1.00 23.21 H new ATOM 864 N ALA A 60 8.342 5.989 -10.697 1.00 33.43 N ATOM 865 CA ALA A 60 9.062 6.124 -11.956 1.00 43.14 C ATOM 866 C ALA A 60 9.828 4.849 -12.291 1.00 24.34 C ATOM 867 O ALA A 60 10.883 4.579 -11.717 1.00 11.44 O ATOM 868 CB ALA A 60 10.011 7.312 -11.896 1.00 64.24 C ATOM 0 H ALA A 60 8.511 6.743 -10.031 1.00 33.43 H new ATOM 0 HA ALA A 60 8.332 6.295 -12.747 1.00 43.14 H new ATOM 0 HB1 ALA A 60 10.543 7.401 -12.843 1.00 64.24 H new ATOM 0 HB2 ALA A 60 9.442 8.223 -11.712 1.00 64.24 H new ATOM 0 HB3 ALA A 60 10.729 7.164 -11.090 1.00 64.24 H new ATOM 874 N GLU A 61 9.290 4.067 -13.222 1.00 3.32 N ATOM 875 CA GLU A 61 9.924 2.819 -13.630 1.00 50.12 C ATOM 876 C GLU A 61 9.222 2.226 -14.848 1.00 61.34 C ATOM 877 O GLU A 61 8.106 2.618 -15.189 1.00 52.43 O ATOM 878 CB GLU A 61 9.908 1.812 -12.478 1.00 40.31 C ATOM 879 CG GLU A 61 10.916 0.687 -12.639 1.00 61.01 C ATOM 880 CD GLU A 61 11.028 -0.178 -11.399 1.00 0.03 C ATOM 881 OE1 GLU A 61 10.047 -0.878 -11.072 1.00 51.12 O ATOM 882 OE2 GLU A 61 12.098 -0.155 -10.755 1.00 11.34 O ATOM 0 H GLU A 61 8.417 4.276 -13.707 1.00 3.32 H new ATOM 0 HA GLU A 61 10.958 3.037 -13.898 1.00 50.12 H new ATOM 0 HB2 GLU A 61 10.109 2.338 -11.544 1.00 40.31 H new ATOM 0 HB3 GLU A 61 8.909 1.384 -12.394 1.00 40.31 H new ATOM 0 HG2 GLU A 61 10.628 0.065 -13.487 1.00 61.01 H new ATOM 0 HG3 GLU A 61 11.893 1.110 -12.872 1.00 61.01 H new ATOM 889 N THR A 62 9.885 1.277 -15.502 1.00 61.22 N ATOM 890 CA THR A 62 9.327 0.630 -16.683 1.00 63.11 C ATOM 891 C THR A 62 9.239 -0.880 -16.493 1.00 11.02 C ATOM 892 O THR A 62 10.255 -1.557 -16.337 1.00 43.12 O ATOM 893 CB THR A 62 10.169 0.929 -17.938 1.00 11.30 C ATOM 894 OG1 THR A 62 11.564 0.849 -17.623 1.00 75.12 O ATOM 895 CG2 THR A 62 9.847 2.310 -18.489 1.00 11.33 C ATOM 0 H THR A 62 10.809 0.939 -15.233 1.00 61.22 H new ATOM 0 HA THR A 62 8.325 1.035 -16.821 1.00 63.11 H new ATOM 0 HB THR A 62 9.925 0.186 -18.697 1.00 11.30 H new ATOM 0 HG1 THR A 62 11.732 0.050 -17.080 1.00 75.12 H new ATOM 0 HG21 THR A 62 10.454 2.499 -19.375 1.00 11.33 H new ATOM 0 HG22 THR A 62 8.791 2.358 -18.755 1.00 11.33 H new ATOM 0 HG23 THR A 62 10.065 3.064 -17.732 1.00 11.33 H new ATOM 903 N VAL A 63 8.017 -1.403 -16.507 1.00 31.02 N ATOM 904 CA VAL A 63 7.796 -2.834 -16.338 1.00 31.25 C ATOM 905 C VAL A 63 6.323 -3.187 -16.509 1.00 53.14 C ATOM 906 O VAL A 63 5.442 -2.442 -16.082 1.00 71.02 O ATOM 907 CB VAL A 63 8.270 -3.315 -14.953 1.00 74.42 C ATOM 908 CG1 VAL A 63 7.411 -2.709 -13.854 1.00 54.21 C ATOM 909 CG2 VAL A 63 8.247 -4.835 -14.881 1.00 42.33 C ATOM 0 H VAL A 63 7.165 -0.857 -16.634 1.00 31.02 H new ATOM 0 HA VAL A 63 8.379 -3.337 -17.109 1.00 31.25 H new ATOM 0 HB VAL A 63 9.297 -2.982 -14.804 1.00 74.42 H new ATOM 0 HG11 VAL A 63 7.761 -3.060 -12.883 1.00 54.21 H new ATOM 0 HG12 VAL A 63 7.483 -1.622 -13.894 1.00 54.21 H new ATOM 0 HG13 VAL A 63 6.373 -3.010 -13.996 1.00 54.21 H new ATOM 0 HG21 VAL A 63 8.585 -5.158 -13.896 1.00 42.33 H new ATOM 0 HG22 VAL A 63 7.231 -5.192 -15.051 1.00 42.33 H new ATOM 0 HG23 VAL A 63 8.909 -5.245 -15.644 1.00 42.33 H new ATOM 919 N ASN A 64 6.063 -4.329 -17.138 1.00 13.12 N ATOM 920 CA ASN A 64 4.695 -4.781 -17.367 1.00 23.24 C ATOM 921 C ASN A 64 4.482 -6.180 -16.796 1.00 3.14 C ATOM 922 O ASN A 64 4.044 -7.090 -17.500 1.00 72.04 O ATOM 923 CB ASN A 64 4.378 -4.775 -18.863 1.00 73.32 C ATOM 924 CG ASN A 64 4.101 -3.380 -19.390 1.00 73.50 C ATOM 925 OD1 ASN A 64 3.114 -2.748 -19.015 1.00 14.23 O ATOM 926 ND2 ASN A 64 4.974 -2.895 -20.265 1.00 14.40 N ATOM 0 H ASN A 64 6.781 -4.958 -17.498 1.00 13.12 H new ATOM 0 HA ASN A 64 4.021 -4.093 -16.857 1.00 23.24 H new ATOM 0 HB2 ASN A 64 5.215 -5.208 -19.411 1.00 73.32 H new ATOM 0 HB3 ASN A 64 3.512 -5.410 -19.051 1.00 73.32 H new ATOM 0 HD21 ASN A 64 4.840 -1.962 -20.655 1.00 14.40 H new ATOM 0 HD22 ASN A 64 5.778 -3.455 -20.547 1.00 14.40 H new ATOM 933 N LEU A 65 4.795 -6.344 -15.515 1.00 12.10 N ATOM 934 CA LEU A 65 4.637 -7.632 -14.848 1.00 3.32 C ATOM 935 C LEU A 65 3.178 -7.878 -14.478 1.00 22.25 C ATOM 936 O LEU A 65 2.675 -7.328 -13.498 1.00 21.42 O ATOM 937 CB LEU A 65 5.510 -7.688 -13.593 1.00 64.41 C ATOM 938 CG LEU A 65 6.973 -8.076 -13.810 1.00 64.14 C ATOM 939 CD1 LEU A 65 7.806 -7.724 -12.588 1.00 22.35 C ATOM 940 CD2 LEU A 65 7.090 -9.560 -14.129 1.00 4.41 C ATOM 0 H LEU A 65 5.159 -5.602 -14.918 1.00 12.10 H new ATOM 0 HA LEU A 65 4.954 -8.413 -15.539 1.00 3.32 H new ATOM 0 HB2 LEU A 65 5.482 -6.711 -13.111 1.00 64.41 H new ATOM 0 HB3 LEU A 65 5.066 -8.399 -12.897 1.00 64.41 H new ATOM 0 HG LEU A 65 7.356 -7.511 -14.660 1.00 64.14 H new ATOM 0 HD11 LEU A 65 8.844 -8.008 -12.761 1.00 22.35 H new ATOM 0 HD12 LEU A 65 7.749 -6.651 -12.405 1.00 22.35 H new ATOM 0 HD13 LEU A 65 7.423 -8.261 -11.720 1.00 22.35 H new ATOM 0 HD21 LEU A 65 8.138 -9.818 -14.280 1.00 4.41 H new ATOM 0 HD22 LEU A 65 6.689 -10.143 -13.300 1.00 4.41 H new ATOM 0 HD23 LEU A 65 6.527 -9.783 -15.035 1.00 4.41 H new ATOM 952 N TRP A 66 2.506 -8.709 -15.266 1.00 12.13 N ATOM 953 CA TRP A 66 1.105 -9.030 -15.019 1.00 75.01 C ATOM 954 C TRP A 66 0.945 -10.489 -14.608 1.00 32.43 C ATOM 955 O TRP A 66 1.485 -11.387 -15.253 1.00 74.40 O ATOM 956 CB TRP A 66 0.267 -8.744 -16.267 1.00 23.50 C ATOM 957 CG TRP A 66 0.551 -7.406 -16.879 1.00 14.12 C ATOM 958 CD1 TRP A 66 0.808 -7.144 -18.194 1.00 64.12 C ATOM 959 CD2 TRP A 66 0.607 -6.147 -16.199 1.00 34.33 C ATOM 960 NE1 TRP A 66 1.021 -5.798 -18.373 1.00 23.43 N ATOM 961 CE2 TRP A 66 0.902 -5.165 -17.164 1.00 42.10 C ATOM 962 CE3 TRP A 66 0.434 -5.754 -14.869 1.00 33.21 C ATOM 963 CZ2 TRP A 66 1.029 -3.817 -16.839 1.00 63.11 C ATOM 964 CZ3 TRP A 66 0.561 -4.416 -14.548 1.00 75.11 C ATOM 965 CH2 TRP A 66 0.855 -3.460 -15.530 1.00 21.45 C ATOM 0 H TRP A 66 2.908 -9.173 -16.081 1.00 12.13 H new ATOM 0 HA TRP A 66 0.753 -8.401 -14.201 1.00 75.01 H new ATOM 0 HB2 TRP A 66 0.454 -9.521 -17.008 1.00 23.50 H new ATOM 0 HB3 TRP A 66 -0.790 -8.800 -16.007 1.00 23.50 H new ATOM 0 HD1 TRP A 66 0.839 -7.886 -18.979 1.00 64.12 H new ATOM 0 HE1 TRP A 66 1.233 -5.344 -19.262 1.00 23.43 H new ATOM 0 HE3 TRP A 66 0.205 -6.483 -14.106 1.00 33.21 H new ATOM 0 HZ2 TRP A 66 1.257 -3.079 -17.594 1.00 63.11 H new ATOM 0 HZ3 TRP A 66 0.432 -4.101 -13.523 1.00 75.11 H new ATOM 0 HH2 TRP A 66 0.946 -2.422 -15.248 1.00 21.45 H new ATOM 976 N GLU A 67 0.200 -10.718 -13.530 1.00 62.24 N ATOM 977 CA GLU A 67 -0.029 -12.070 -13.034 1.00 62.11 C ATOM 978 C GLU A 67 -1.014 -12.062 -11.868 1.00 63.05 C ATOM 979 O GLU A 67 -0.759 -11.452 -10.830 1.00 52.41 O ATOM 980 CB GLU A 67 1.292 -12.707 -12.596 1.00 14.01 C ATOM 981 CG GLU A 67 2.085 -11.853 -11.621 1.00 21.51 C ATOM 982 CD GLU A 67 3.482 -12.390 -11.379 1.00 23.53 C ATOM 983 OE1 GLU A 67 3.640 -13.628 -11.325 1.00 65.24 O ATOM 984 OE2 GLU A 67 4.417 -11.574 -11.242 1.00 41.14 O ATOM 0 H GLU A 67 -0.254 -9.986 -12.985 1.00 62.24 H new ATOM 0 HA GLU A 67 -0.457 -12.660 -13.845 1.00 62.11 H new ATOM 0 HB2 GLU A 67 1.085 -13.673 -12.135 1.00 14.01 H new ATOM 0 HB3 GLU A 67 1.903 -12.899 -13.478 1.00 14.01 H new ATOM 0 HG2 GLU A 67 2.152 -10.836 -12.006 1.00 21.51 H new ATOM 0 HG3 GLU A 67 1.551 -11.800 -10.672 1.00 21.51 H new ATOM 991 N VAL A 68 -2.140 -12.744 -12.049 1.00 33.24 N ATOM 992 CA VAL A 68 -3.164 -12.817 -11.013 1.00 10.21 C ATOM 993 C VAL A 68 -3.405 -14.258 -10.579 1.00 31.14 C ATOM 994 O VAL A 68 -3.708 -14.523 -9.416 1.00 31.41 O ATOM 995 CB VAL A 68 -4.494 -12.208 -11.495 1.00 32.11 C ATOM 996 CG1 VAL A 68 -4.312 -10.740 -11.851 1.00 32.51 C ATOM 997 CG2 VAL A 68 -5.038 -12.989 -12.681 1.00 73.44 C ATOM 0 H VAL A 68 -2.367 -13.254 -12.903 1.00 33.24 H new ATOM 0 HA VAL A 68 -2.796 -12.242 -10.163 1.00 10.21 H new ATOM 0 HB VAL A 68 -5.218 -12.273 -10.683 1.00 32.11 H new ATOM 0 HG11 VAL A 68 -5.262 -10.327 -12.189 1.00 32.51 H new ATOM 0 HG12 VAL A 68 -3.971 -10.192 -10.973 1.00 32.51 H new ATOM 0 HG13 VAL A 68 -3.572 -10.647 -12.646 1.00 32.51 H new ATOM 0 HG21 VAL A 68 -5.978 -12.545 -13.009 1.00 73.44 H new ATOM 0 HG22 VAL A 68 -4.318 -12.958 -13.498 1.00 73.44 H new ATOM 0 HG23 VAL A 68 -5.209 -14.025 -12.387 1.00 73.44 H new ATOM 1007 N GLU A 69 -3.268 -15.185 -11.521 1.00 62.43 N ATOM 1008 CA GLU A 69 -3.471 -16.601 -11.235 1.00 53.41 C ATOM 1009 C GLU A 69 -2.136 -17.331 -11.125 1.00 61.05 C ATOM 1010 O GLU A 69 -1.421 -17.493 -12.115 1.00 0.10 O ATOM 1011 CB GLU A 69 -4.330 -17.246 -12.325 1.00 10.21 C ATOM 1012 CG GLU A 69 -4.957 -18.565 -11.905 1.00 5.21 C ATOM 1013 CD GLU A 69 -5.889 -18.416 -10.718 1.00 61.23 C ATOM 1014 OE1 GLU A 69 -6.593 -17.387 -10.643 1.00 70.32 O ATOM 1015 OE2 GLU A 69 -5.915 -19.328 -9.865 1.00 45.43 O ATOM 0 H GLU A 69 -3.017 -14.982 -12.489 1.00 62.43 H new ATOM 0 HA GLU A 69 -3.989 -16.682 -10.279 1.00 53.41 H new ATOM 0 HB2 GLU A 69 -5.121 -16.552 -12.611 1.00 10.21 H new ATOM 0 HB3 GLU A 69 -3.715 -17.411 -13.210 1.00 10.21 H new ATOM 0 HG2 GLU A 69 -5.510 -18.984 -12.746 1.00 5.21 H new ATOM 0 HG3 GLU A 69 -4.168 -19.275 -11.656 1.00 5.21 H new ATOM 1022 N HIS A 70 -1.806 -17.770 -9.915 1.00 3.31 N ATOM 1023 CA HIS A 70 -0.556 -18.483 -9.675 1.00 33.12 C ATOM 1024 C HIS A 70 -0.826 -19.888 -9.144 1.00 72.04 C ATOM 1025 O HIS A 70 -0.068 -20.820 -9.413 1.00 24.33 O ATOM 1026 CB HIS A 70 0.315 -17.710 -8.684 1.00 53.02 C ATOM 1027 CG HIS A 70 -0.386 -17.377 -7.403 1.00 54.34 C ATOM 1028 ND1 HIS A 70 -0.513 -18.270 -6.361 1.00 15.15 N ATOM 1029 CD2 HIS A 70 -0.999 -16.239 -6.999 1.00 62.33 C ATOM 1030 CE1 HIS A 70 -1.175 -17.697 -5.371 1.00 53.22 C ATOM 1031 NE2 HIS A 70 -1.481 -16.464 -5.733 1.00 41.03 N ATOM 0 H HIS A 70 -2.386 -17.645 -9.085 1.00 3.31 H new ATOM 0 HA HIS A 70 -0.026 -18.567 -10.624 1.00 33.12 H new ATOM 0 HB2 HIS A 70 1.205 -18.298 -8.459 1.00 53.02 H new ATOM 0 HB3 HIS A 70 0.654 -16.787 -9.154 1.00 53.02 H new ATOM 0 HD2 HIS A 70 -1.092 -15.325 -7.567 1.00 62.33 H new ATOM 0 HE1 HIS A 70 -1.424 -18.158 -4.427 1.00 53.22 H new ATOM 0 HE2 HIS A 70 -1.992 -15.789 -5.165 1.00 41.03 H new ATOM 1039 N HIS A 71 -1.911 -20.032 -8.390 1.00 21.33 N ATOM 1040 CA HIS A 71 -2.281 -21.324 -7.821 1.00 45.33 C ATOM 1041 C HIS A 71 -2.560 -22.342 -8.923 1.00 13.14 C ATOM 1042 O HIS A 71 -3.701 -22.501 -9.359 1.00 1.22 O ATOM 1043 CB HIS A 71 -3.509 -21.176 -6.923 1.00 22.52 C ATOM 1044 CG HIS A 71 -3.732 -22.348 -6.016 1.00 43.33 C ATOM 1045 ND1 HIS A 71 -3.805 -23.648 -6.470 1.00 51.43 N ATOM 1046 CD2 HIS A 71 -3.896 -22.410 -4.674 1.00 42.31 C ATOM 1047 CE1 HIS A 71 -4.007 -24.458 -5.447 1.00 65.40 C ATOM 1048 NE2 HIS A 71 -4.065 -23.732 -4.345 1.00 61.23 N ATOM 0 H HIS A 71 -2.549 -19.271 -8.159 1.00 21.33 H new ATOM 0 HA HIS A 71 -1.444 -21.684 -7.222 1.00 45.33 H new ATOM 0 HB2 HIS A 71 -3.401 -20.275 -6.319 1.00 22.52 H new ATOM 0 HB3 HIS A 71 -4.391 -21.037 -7.548 1.00 22.52 H new ATOM 0 HD2 HIS A 71 -3.894 -21.575 -3.989 1.00 42.31 H new ATOM 0 HE1 HIS A 71 -4.108 -25.532 -5.502 1.00 65.40 H new ATOM 0 HE2 HIS A 71 -4.212 -24.095 -3.403 1.00 61.23 H new TER 1056 HIS A 71