USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 440 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 Set 1.1: A 28 SER OG : rot -76:sc= 0.083 USER MOD Set 1.2: A 62 ASN : amide:sc= -0.0156 X(o=0.067,f=-0.42) USER MOD Set 2.1: A 4 THR OG1 : rot 180:sc= 0.178 USER MOD Set 2.2: A 39 GLN : amide:sc= 0.233 X(o=0.41,f=-0.051) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.0201 X(o=-0.02,f=0) USER MOD Single : A 9 THR OG1 : rot 128:sc= -1.77! USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 73:sc= 1.26 USER MOD Single : A 21 GLN : amide:sc= -0.0174 X(o=-0.017,f=-0.52) USER MOD Single : A 22 SER OG : rot 180:sc= 0.0496 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -82:sc= 0.177 USER MOD Single : A 26 SER OG : rot 180:sc= -0.216 USER MOD Single : A 38 SER OG : rot 87:sc= 1.55 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -179:sc= -0.7 (180deg=-0.771) USER MOD Single : A 48 LYS NZ :NH3+ -169:sc= 1.22 (180deg=1.07) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 53 ASN : amide:sc= -0.0388 K(o=-0.039,f=-1.4!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 57 SER OG : rot 180:sc= 0.114 USER MOD Single : A 65 ASN : amide:sc= 0.694 K(o=0.69,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 14 N ALA A 2 -0.355 14.393 -3.238 1.00 0.00 N ATOM 15 CA ALA A 2 0.664 13.563 -3.860 1.00 0.00 C ATOM 16 C ALA A 2 1.974 13.665 -3.089 1.00 0.00 C ATOM 17 O ALA A 2 2.615 14.715 -3.076 1.00 0.00 O ATOM 18 CB ALA A 2 0.869 13.972 -5.310 1.00 0.00 C ATOM 0 HA ALA A 2 0.328 12.526 -3.837 1.00 0.00 H new ATOM 0 HB1 ALA A 2 1.635 13.341 -5.761 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.066 13.854 -5.857 1.00 0.00 H new ATOM 0 HB3 ALA A 2 1.186 15.014 -5.353 1.00 0.00 H new ATOM 24 N THR A 3 2.361 12.580 -2.439 1.00 0.00 N ATOM 25 CA THR A 3 3.587 12.562 -1.657 1.00 0.00 C ATOM 26 C THR A 3 4.538 11.479 -2.154 1.00 0.00 C ATOM 27 O THR A 3 4.161 10.315 -2.278 1.00 0.00 O ATOM 28 CB THR A 3 3.289 12.337 -0.164 1.00 0.00 C ATOM 29 OG1 THR A 3 1.874 12.181 0.030 1.00 0.00 O ATOM 30 CG2 THR A 3 3.795 13.507 0.667 1.00 0.00 C ATOM 0 H THR A 3 1.845 11.700 -2.437 1.00 0.00 H new ATOM 0 HA THR A 3 4.063 13.535 -1.780 1.00 0.00 H new ATOM 0 HB THR A 3 3.804 11.432 0.160 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.688 12.036 0.981 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.574 13.328 1.719 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.872 13.609 0.534 1.00 0.00 H new ATOM 0 HG23 THR A 3 3.301 14.423 0.344 1.00 0.00 H new ATOM 38 N THR A 4 5.767 11.871 -2.440 1.00 0.00 N ATOM 39 CA THR A 4 6.767 10.953 -2.958 1.00 0.00 C ATOM 40 C THR A 4 7.485 10.238 -1.818 1.00 0.00 C ATOM 41 O THR A 4 8.378 10.802 -1.185 1.00 0.00 O ATOM 42 CB THR A 4 7.800 11.698 -3.827 1.00 0.00 C ATOM 43 OG1 THR A 4 7.206 12.883 -4.389 1.00 0.00 O ATOM 44 CG2 THR A 4 8.314 10.802 -4.944 1.00 0.00 C ATOM 0 H THR A 4 6.099 12.828 -2.321 1.00 0.00 H new ATOM 0 HA THR A 4 6.251 10.216 -3.574 1.00 0.00 H new ATOM 0 HB THR A 4 8.641 11.979 -3.193 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.868 13.352 -4.938 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.041 11.349 -5.544 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.788 9.920 -4.514 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.481 10.494 -5.576 1.00 0.00 H new ATOM 52 N ILE A 5 7.085 9.001 -1.557 1.00 0.00 N ATOM 53 CA ILE A 5 7.671 8.227 -0.476 1.00 0.00 C ATOM 54 C ILE A 5 9.042 7.678 -0.879 1.00 0.00 C ATOM 55 O ILE A 5 9.338 7.513 -2.070 1.00 0.00 O ATOM 56 CB ILE A 5 6.743 7.068 -0.026 1.00 0.00 C ATOM 57 CG1 ILE A 5 6.978 5.807 -0.861 1.00 0.00 C ATOM 58 CG2 ILE A 5 5.280 7.485 -0.103 1.00 0.00 C ATOM 59 CD1 ILE A 5 7.233 4.574 -0.023 1.00 0.00 C ATOM 0 H ILE A 5 6.357 8.514 -2.080 1.00 0.00 H new ATOM 0 HA ILE A 5 7.796 8.903 0.370 1.00 0.00 H new ATOM 0 HB ILE A 5 6.987 6.838 1.011 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.109 5.633 -1.496 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.829 5.971 -1.522 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.648 6.657 0.217 1.00 0.00 H new ATOM 0 HG22 ILE A 5 5.111 8.343 0.548 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.032 7.755 -1.130 1.00 0.00 H new ATOM 0 HD11 ILE A 5 7.392 3.716 -0.677 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.119 4.729 0.593 1.00 0.00 H new ATOM 0 HD13 ILE A 5 6.373 4.386 0.620 1.00 0.00 H new ATOM 71 N GLY A 6 9.875 7.407 0.117 1.00 0.00 N ATOM 72 CA GLY A 6 11.212 6.924 -0.146 1.00 0.00 C ATOM 73 C GLY A 6 11.544 5.666 0.633 1.00 0.00 C ATOM 74 O GLY A 6 10.855 4.655 0.503 1.00 0.00 O ATOM 0 H GLY A 6 9.645 7.514 1.105 1.00 0.00 H new ATOM 0 HA2 GLY A 6 11.319 6.725 -1.212 1.00 0.00 H new ATOM 0 HA3 GLY A 6 11.931 7.703 0.106 1.00 0.00 H new ATOM 78 N PRO A 7 12.597 5.706 1.459 1.00 0.00 N ATOM 79 CA PRO A 7 13.081 4.540 2.199 1.00 0.00 C ATOM 80 C PRO A 7 12.254 4.238 3.448 1.00 0.00 C ATOM 81 O PRO A 7 12.624 4.634 4.555 1.00 0.00 O ATOM 82 CB PRO A 7 14.517 4.932 2.597 1.00 0.00 C ATOM 83 CG PRO A 7 14.768 6.276 1.988 1.00 0.00 C ATOM 84 CD PRO A 7 13.422 6.884 1.732 1.00 0.00 C ATOM 0 HA PRO A 7 13.017 3.635 1.595 1.00 0.00 H new ATOM 0 HB2 PRO A 7 14.624 4.970 3.681 1.00 0.00 H new ATOM 0 HB3 PRO A 7 15.236 4.199 2.232 1.00 0.00 H new ATOM 0 HG2 PRO A 7 15.356 6.903 2.659 1.00 0.00 H new ATOM 0 HG3 PRO A 7 15.334 6.183 1.061 1.00 0.00 H new ATOM 0 HD2 PRO A 7 13.058 7.445 2.593 1.00 0.00 H new ATOM 0 HD3 PRO A 7 13.440 7.573 0.887 1.00 0.00 H new ATOM 92 N ASN A 8 11.126 3.554 3.253 1.00 0.00 N ATOM 93 CA ASN A 8 10.295 3.075 4.359 1.00 0.00 C ATOM 94 C ASN A 8 9.705 4.238 5.146 1.00 0.00 C ATOM 95 O ASN A 8 10.221 4.628 6.192 1.00 0.00 O ATOM 96 CB ASN A 8 11.094 2.155 5.292 1.00 0.00 C ATOM 97 CG ASN A 8 10.322 0.907 5.676 1.00 0.00 C ATOM 98 OD1 ASN A 8 10.161 -0.009 4.872 1.00 0.00 O ATOM 99 ND2 ASN A 8 9.835 0.861 6.907 1.00 0.00 N ATOM 0 H ASN A 8 10.764 3.317 2.329 1.00 0.00 H new ATOM 0 HA ASN A 8 9.475 2.501 3.927 1.00 0.00 H new ATOM 0 HB2 ASN A 8 12.025 1.867 4.803 1.00 0.00 H new ATOM 0 HB3 ASN A 8 11.364 2.704 6.194 1.00 0.00 H new ATOM 0 HD21 ASN A 8 9.306 0.046 7.216 1.00 0.00 H new ATOM 0 HD22 ASN A 8 9.989 1.641 7.546 1.00 0.00 H new ATOM 106 N THR A 9 8.603 4.770 4.646 1.00 0.00 N ATOM 107 CA THR A 9 7.971 5.938 5.238 1.00 0.00 C ATOM 108 C THR A 9 7.150 5.578 6.478 1.00 0.00 C ATOM 109 O THR A 9 6.639 6.454 7.175 1.00 0.00 O ATOM 110 CB THR A 9 7.059 6.617 4.206 1.00 0.00 C ATOM 111 OG1 THR A 9 7.263 6.017 2.918 1.00 0.00 O ATOM 112 CG2 THR A 9 7.332 8.114 4.129 1.00 0.00 C ATOM 0 H THR A 9 8.123 4.407 3.823 1.00 0.00 H new ATOM 0 HA THR A 9 8.765 6.619 5.545 1.00 0.00 H new ATOM 0 HB THR A 9 6.024 6.479 4.518 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.399 5.744 2.544 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.671 8.567 3.390 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.151 8.567 5.104 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.369 8.280 3.838 1.00 0.00 H new ATOM 120 N CYS A 10 7.031 4.291 6.756 1.00 0.00 N ATOM 121 CA CYS A 10 6.287 3.836 7.917 1.00 0.00 C ATOM 122 C CYS A 10 7.227 3.196 8.926 1.00 0.00 C ATOM 123 O CYS A 10 7.919 2.226 8.614 1.00 0.00 O ATOM 124 CB CYS A 10 5.193 2.850 7.503 1.00 0.00 C ATOM 125 SG CYS A 10 3.827 3.620 6.575 1.00 0.00 S ATOM 0 H CYS A 10 7.439 3.544 6.194 1.00 0.00 H new ATOM 0 HA CYS A 10 5.810 4.698 8.383 1.00 0.00 H new ATOM 0 HB2 CYS A 10 5.637 2.063 6.893 1.00 0.00 H new ATOM 0 HB3 CYS A 10 4.790 2.372 8.396 1.00 0.00 H new ATOM 130 N SER A 11 7.262 3.754 10.124 1.00 0.00 N ATOM 131 CA SER A 11 8.132 3.251 11.175 1.00 0.00 C ATOM 132 C SER A 11 7.307 2.739 12.349 1.00 0.00 C ATOM 133 O SER A 11 7.454 3.198 13.480 1.00 0.00 O ATOM 134 CB SER A 11 9.089 4.350 11.636 1.00 0.00 C ATOM 135 OG SER A 11 9.469 5.183 10.549 1.00 0.00 O ATOM 0 H SER A 11 6.696 4.558 10.394 1.00 0.00 H new ATOM 0 HA SER A 11 8.717 2.421 10.777 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.612 4.951 12.410 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.976 3.901 12.082 1.00 0.00 H new ATOM 0 HG SER A 11 10.080 5.880 10.869 1.00 0.00 H new ATOM 141 N ILE A 12 6.423 1.793 12.071 1.00 0.00 N ATOM 142 CA ILE A 12 5.576 1.225 13.106 1.00 0.00 C ATOM 143 C ILE A 12 5.791 -0.277 13.219 1.00 0.00 C ATOM 144 O ILE A 12 5.017 -1.063 12.674 1.00 0.00 O ATOM 145 CB ILE A 12 4.076 1.492 12.852 1.00 0.00 C ATOM 146 CG1 ILE A 12 3.861 2.866 12.215 1.00 0.00 C ATOM 147 CG2 ILE A 12 3.305 1.387 14.160 1.00 0.00 C ATOM 148 CD1 ILE A 12 2.484 3.048 11.616 1.00 0.00 C ATOM 0 H ILE A 12 6.274 1.404 11.140 1.00 0.00 H new ATOM 0 HA ILE A 12 5.862 1.716 14.036 1.00 0.00 H new ATOM 0 HB ILE A 12 3.705 0.740 12.156 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.025 3.636 12.969 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.609 3.017 11.437 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.248 1.576 13.975 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.428 0.387 14.575 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.687 2.123 14.868 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.404 4.045 11.183 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.324 2.301 10.839 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.730 2.929 12.394 1.00 0.00 H new ATOM 160 N ASP A 13 6.866 -0.659 13.902 1.00 0.00 N ATOM 161 CA ASP A 13 7.149 -2.060 14.223 1.00 0.00 C ATOM 162 C ASP A 13 7.407 -2.889 12.966 1.00 0.00 C ATOM 163 O ASP A 13 8.551 -3.057 12.549 1.00 0.00 O ATOM 164 CB ASP A 13 5.997 -2.672 15.030 1.00 0.00 C ATOM 165 CG ASP A 13 6.406 -3.933 15.764 1.00 0.00 C ATOM 166 OD1 ASP A 13 7.113 -3.825 16.788 1.00 0.00 O ATOM 167 OD2 ASP A 13 6.012 -5.038 15.331 1.00 0.00 O ATOM 0 H ASP A 13 7.569 -0.007 14.251 1.00 0.00 H new ATOM 0 HA ASP A 13 8.056 -2.077 14.827 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.633 -1.939 15.750 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.168 -2.899 14.359 1.00 0.00 H new ATOM 172 N ASP A 14 6.337 -3.391 12.366 1.00 0.00 N ATOM 173 CA ASP A 14 6.447 -4.266 11.206 1.00 0.00 C ATOM 174 C ASP A 14 5.556 -3.771 10.066 1.00 0.00 C ATOM 175 O ASP A 14 5.452 -4.403 9.016 1.00 0.00 O ATOM 176 CB ASP A 14 6.062 -5.692 11.608 1.00 0.00 C ATOM 177 CG ASP A 14 6.337 -6.717 10.527 1.00 0.00 C ATOM 178 OD1 ASP A 14 7.379 -6.616 9.848 1.00 0.00 O ATOM 179 OD2 ASP A 14 5.505 -7.637 10.355 1.00 0.00 O ATOM 0 H ASP A 14 5.379 -3.207 12.664 1.00 0.00 H new ATOM 0 HA ASP A 14 7.478 -4.258 10.851 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.611 -5.968 12.508 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.002 -5.717 11.861 1.00 0.00 H new ATOM 184 N TYR A 15 4.920 -2.627 10.270 1.00 0.00 N ATOM 185 CA TYR A 15 4.024 -2.070 9.263 1.00 0.00 C ATOM 186 C TYR A 15 4.815 -1.359 8.167 1.00 0.00 C ATOM 187 O TYR A 15 5.577 -0.430 8.438 1.00 0.00 O ATOM 188 CB TYR A 15 3.021 -1.115 9.911 1.00 0.00 C ATOM 189 CG TYR A 15 2.067 -1.807 10.861 1.00 0.00 C ATOM 190 CD1 TYR A 15 1.095 -2.679 10.384 1.00 0.00 C ATOM 191 CD2 TYR A 15 2.143 -1.597 12.232 1.00 0.00 C ATOM 192 CE1 TYR A 15 0.227 -3.321 11.248 1.00 0.00 C ATOM 193 CE2 TYR A 15 1.283 -2.235 13.102 1.00 0.00 C ATOM 194 CZ TYR A 15 0.326 -3.096 12.607 1.00 0.00 C ATOM 195 OH TYR A 15 -0.534 -3.728 13.474 1.00 0.00 O ATOM 0 H TYR A 15 5.006 -2.067 11.118 1.00 0.00 H new ATOM 0 HA TYR A 15 3.472 -2.890 8.804 1.00 0.00 H new ATOM 0 HB2 TYR A 15 3.564 -0.340 10.452 1.00 0.00 H new ATOM 0 HB3 TYR A 15 2.448 -0.616 9.130 1.00 0.00 H new ATOM 0 HD1 TYR A 15 1.017 -2.858 9.322 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.889 -0.922 12.624 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.524 -3.994 10.862 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.359 -2.061 14.165 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.327 -3.460 14.394 1.00 0.00 H new ATOM 205 N LYS A 16 4.622 -1.804 6.933 1.00 0.00 N ATOM 206 CA LYS A 16 5.370 -1.286 5.796 1.00 0.00 C ATOM 207 C LYS A 16 4.620 -0.135 5.135 1.00 0.00 C ATOM 208 O LYS A 16 3.401 -0.022 5.268 1.00 0.00 O ATOM 209 CB LYS A 16 5.598 -2.394 4.764 1.00 0.00 C ATOM 210 CG LYS A 16 6.507 -3.515 5.239 1.00 0.00 C ATOM 211 CD LYS A 16 6.329 -4.764 4.386 1.00 0.00 C ATOM 212 CE LYS A 16 7.631 -5.536 4.240 1.00 0.00 C ATOM 213 NZ LYS A 16 7.585 -6.843 4.949 1.00 0.00 N ATOM 0 H LYS A 16 3.947 -2.530 6.693 1.00 0.00 H new ATOM 0 HA LYS A 16 6.330 -0.923 6.162 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.633 -2.818 4.485 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.025 -1.953 3.863 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.546 -3.187 5.197 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.288 -3.748 6.281 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.573 -5.407 4.836 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.961 -4.482 3.400 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.837 -5.704 3.183 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.453 -4.938 4.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.491 -7.337 4.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.414 -6.682 5.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.817 -7.424 4.556 1.00 0.00 H new ATOM 227 N PRO A 17 5.343 0.735 4.412 1.00 0.00 N ATOM 228 CA PRO A 17 4.735 1.829 3.658 1.00 0.00 C ATOM 229 C PRO A 17 4.151 1.344 2.334 1.00 0.00 C ATOM 230 O PRO A 17 4.870 0.839 1.471 1.00 0.00 O ATOM 231 CB PRO A 17 5.906 2.776 3.415 1.00 0.00 C ATOM 232 CG PRO A 17 7.106 1.894 3.372 1.00 0.00 C ATOM 233 CD PRO A 17 6.813 0.723 4.276 1.00 0.00 C ATOM 0 HA PRO A 17 3.903 2.292 4.189 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.784 3.324 2.481 1.00 0.00 H new ATOM 0 HB3 PRO A 17 5.988 3.517 4.211 1.00 0.00 H new ATOM 0 HG2 PRO A 17 7.303 1.558 2.354 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.993 2.430 3.708 1.00 0.00 H new ATOM 0 HD2 PRO A 17 7.166 -0.213 3.843 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.304 0.833 5.243 1.00 0.00 H new ATOM 241 N TYR A 18 2.851 1.489 2.177 1.00 0.00 N ATOM 242 CA TYR A 18 2.171 0.988 1.000 1.00 0.00 C ATOM 243 C TYR A 18 1.374 2.097 0.318 1.00 0.00 C ATOM 244 O TYR A 18 0.765 2.938 0.980 1.00 0.00 O ATOM 245 CB TYR A 18 1.258 -0.173 1.399 1.00 0.00 C ATOM 246 CG TYR A 18 1.930 -1.528 1.322 1.00 0.00 C ATOM 247 CD1 TYR A 18 2.625 -2.043 2.408 1.00 0.00 C ATOM 248 CD2 TYR A 18 1.870 -2.290 0.161 1.00 0.00 C ATOM 249 CE1 TYR A 18 3.247 -3.274 2.339 1.00 0.00 C ATOM 250 CE2 TYR A 18 2.486 -3.526 0.085 1.00 0.00 C ATOM 251 CZ TYR A 18 3.173 -4.013 1.176 1.00 0.00 C ATOM 252 OH TYR A 18 3.800 -5.236 1.101 1.00 0.00 O ATOM 0 H TYR A 18 2.242 1.951 2.852 1.00 0.00 H new ATOM 0 HA TYR A 18 2.912 0.630 0.285 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.902 -0.011 2.416 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.382 -0.174 0.751 1.00 0.00 H new ATOM 0 HD1 TYR A 18 2.680 -1.471 3.322 1.00 0.00 H new ATOM 0 HD2 TYR A 18 1.333 -1.911 -0.696 1.00 0.00 H new ATOM 0 HE1 TYR A 18 3.789 -3.657 3.191 1.00 0.00 H new ATOM 0 HE2 TYR A 18 2.429 -4.106 -0.824 1.00 0.00 H new ATOM 0 HH TYR A 18 3.303 -5.892 1.633 1.00 0.00 H new ATOM 262 N CYS A 19 1.397 2.095 -1.005 1.00 0.00 N ATOM 263 CA CYS A 19 0.687 3.089 -1.795 1.00 0.00 C ATOM 264 C CYS A 19 -0.659 2.528 -2.233 1.00 0.00 C ATOM 265 O CYS A 19 -0.821 2.075 -3.369 1.00 0.00 O ATOM 266 CB CYS A 19 1.522 3.478 -3.019 1.00 0.00 C ATOM 267 SG CYS A 19 1.316 5.209 -3.549 1.00 0.00 S ATOM 0 H CYS A 19 1.906 1.407 -1.560 1.00 0.00 H new ATOM 0 HA CYS A 19 0.521 3.979 -1.188 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.574 3.301 -2.797 1.00 0.00 H new ATOM 0 HB3 CYS A 19 1.257 2.822 -3.848 1.00 0.00 H new ATOM 272 N CYS A 20 -1.619 2.538 -1.325 1.00 0.00 N ATOM 273 CA CYS A 20 -2.905 1.910 -1.577 1.00 0.00 C ATOM 274 C CYS A 20 -3.972 2.930 -1.929 1.00 0.00 C ATOM 275 O CYS A 20 -3.982 4.047 -1.409 1.00 0.00 O ATOM 276 CB CYS A 20 -3.353 1.102 -0.360 1.00 0.00 C ATOM 277 SG CYS A 20 -1.994 0.290 0.541 1.00 0.00 S ATOM 0 H CYS A 20 -1.533 2.974 -0.407 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.776 1.244 -2.430 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -3.884 1.763 0.325 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.064 0.342 -0.685 1.00 0.00 H new ATOM 282 N GLN A 21 -4.862 2.536 -2.823 1.00 0.00 N ATOM 283 CA GLN A 21 -6.030 3.335 -3.140 1.00 0.00 C ATOM 284 C GLN A 21 -7.230 2.736 -2.423 1.00 0.00 C ATOM 285 O GLN A 21 -7.496 1.536 -2.546 1.00 0.00 O ATOM 286 CB GLN A 21 -6.281 3.381 -4.653 1.00 0.00 C ATOM 287 CG GLN A 21 -5.156 2.796 -5.494 1.00 0.00 C ATOM 288 CD GLN A 21 -4.027 3.780 -5.738 1.00 0.00 C ATOM 289 OE1 GLN A 21 -4.261 4.941 -6.073 1.00 0.00 O ATOM 290 NE2 GLN A 21 -2.795 3.322 -5.575 1.00 0.00 N ATOM 0 H GLN A 21 -4.796 1.662 -3.344 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.865 4.360 -2.808 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -7.202 2.841 -4.873 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.440 4.417 -4.951 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -4.759 1.912 -4.996 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -5.559 2.468 -6.452 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -2.644 2.352 -5.296 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.997 3.939 -5.728 1.00 0.00 H new ATOM 299 N SER A 22 -7.945 3.558 -1.675 1.00 0.00 N ATOM 300 CA SER A 22 -9.046 3.077 -0.862 1.00 0.00 C ATOM 301 C SER A 22 -10.278 2.821 -1.722 1.00 0.00 C ATOM 302 O SER A 22 -10.847 3.743 -2.310 1.00 0.00 O ATOM 303 CB SER A 22 -9.357 4.095 0.237 1.00 0.00 C ATOM 304 OG SER A 22 -8.254 4.967 0.448 1.00 0.00 O ATOM 0 H SER A 22 -7.782 4.563 -1.614 1.00 0.00 H new ATOM 0 HA SER A 22 -8.758 2.133 -0.399 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.237 4.676 -0.038 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.596 3.574 1.164 1.00 0.00 H new ATOM 0 HG SER A 22 -8.476 5.610 1.153 1.00 0.00 H new ATOM 310 N MET A 23 -10.675 1.559 -1.805 1.00 0.00 N ATOM 311 CA MET A 23 -11.827 1.173 -2.602 1.00 0.00 C ATOM 312 C MET A 23 -13.103 1.488 -1.840 1.00 0.00 C ATOM 313 O MET A 23 -13.410 0.844 -0.834 1.00 0.00 O ATOM 314 CB MET A 23 -11.766 -0.315 -2.951 1.00 0.00 C ATOM 315 CG MET A 23 -10.850 -0.626 -4.122 1.00 0.00 C ATOM 316 SD MET A 23 -11.753 -1.140 -5.598 1.00 0.00 S ATOM 317 CE MET A 23 -11.309 -2.873 -5.681 1.00 0.00 C ATOM 0 H MET A 23 -10.214 0.784 -1.328 1.00 0.00 H new ATOM 0 HA MET A 23 -11.819 1.739 -3.533 1.00 0.00 H new ATOM 0 HB2 MET A 23 -11.427 -0.871 -2.077 1.00 0.00 H new ATOM 0 HB3 MET A 23 -12.771 -0.667 -3.183 1.00 0.00 H new ATOM 0 HG2 MET A 23 -10.253 0.256 -4.355 1.00 0.00 H new ATOM 0 HG3 MET A 23 -10.154 -1.414 -3.834 1.00 0.00 H new ATOM 0 HE1 MET A 23 -11.791 -3.331 -6.544 1.00 0.00 H new ATOM 0 HE2 MET A 23 -10.227 -2.967 -5.777 1.00 0.00 H new ATOM 0 HE3 MET A 23 -11.638 -3.377 -4.772 1.00 0.00 H new ATOM 327 N SER A 24 -13.823 2.487 -2.328 1.00 0.00 N ATOM 328 CA SER A 24 -15.003 3.017 -1.660 1.00 0.00 C ATOM 329 C SER A 24 -16.022 1.924 -1.346 1.00 0.00 C ATOM 330 O SER A 24 -16.634 1.349 -2.246 1.00 0.00 O ATOM 331 CB SER A 24 -15.629 4.090 -2.548 1.00 0.00 C ATOM 332 OG SER A 24 -14.941 4.178 -3.791 1.00 0.00 O ATOM 0 H SER A 24 -13.603 2.957 -3.206 1.00 0.00 H new ATOM 0 HA SER A 24 -14.698 3.448 -0.706 1.00 0.00 H new ATOM 0 HB2 SER A 24 -16.679 3.857 -2.724 1.00 0.00 H new ATOM 0 HB3 SER A 24 -15.597 5.054 -2.040 1.00 0.00 H new ATOM 0 HG SER A 24 -14.139 4.731 -3.683 1.00 0.00 H new ATOM 338 N GLY A 25 -16.164 1.617 -0.062 1.00 0.00 N ATOM 339 CA GLY A 25 -17.160 0.659 0.383 1.00 0.00 C ATOM 340 C GLY A 25 -16.817 -0.779 0.038 1.00 0.00 C ATOM 341 O GLY A 25 -17.546 -1.696 0.409 1.00 0.00 O ATOM 0 H GLY A 25 -15.600 2.019 0.687 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.279 0.746 1.463 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -18.121 0.912 -0.065 1.00 0.00 H new ATOM 345 N SER A 26 -15.706 -0.983 -0.652 1.00 0.00 N ATOM 346 CA SER A 26 -15.337 -2.313 -1.115 1.00 0.00 C ATOM 347 C SER A 26 -14.373 -2.992 -0.142 1.00 0.00 C ATOM 348 O SER A 26 -14.146 -4.200 -0.229 1.00 0.00 O ATOM 349 CB SER A 26 -14.722 -2.217 -2.510 1.00 0.00 C ATOM 350 OG SER A 26 -15.146 -1.028 -3.162 1.00 0.00 O ATOM 0 H SER A 26 -15.045 -0.248 -0.904 1.00 0.00 H new ATOM 0 HA SER A 26 -16.236 -2.927 -1.163 1.00 0.00 H new ATOM 0 HB2 SER A 26 -13.635 -2.230 -2.436 1.00 0.00 H new ATOM 0 HB3 SER A 26 -15.011 -3.086 -3.102 1.00 0.00 H new ATOM 0 HG SER A 26 -14.742 -0.982 -4.053 1.00 0.00 H new ATOM 356 N ALA A 27 -13.811 -2.198 0.775 1.00 0.00 N ATOM 357 CA ALA A 27 -12.913 -2.692 1.831 1.00 0.00 C ATOM 358 C ALA A 27 -11.551 -3.117 1.279 1.00 0.00 C ATOM 359 O ALA A 27 -10.528 -2.546 1.648 1.00 0.00 O ATOM 360 CB ALA A 27 -13.554 -3.832 2.617 1.00 0.00 C ATOM 0 H ALA A 27 -13.965 -1.190 0.808 1.00 0.00 H new ATOM 0 HA ALA A 27 -12.744 -1.858 2.512 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -12.865 -4.174 3.389 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -14.475 -3.480 3.082 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.781 -4.657 1.942 1.00 0.00 H new ATOM 366 N SER A 28 -11.540 -4.121 0.410 1.00 0.00 N ATOM 367 CA SER A 28 -10.306 -4.601 -0.190 1.00 0.00 C ATOM 368 C SER A 28 -9.674 -3.517 -1.064 1.00 0.00 C ATOM 369 O SER A 28 -10.218 -3.141 -2.102 1.00 0.00 O ATOM 370 CB SER A 28 -10.587 -5.862 -1.009 1.00 0.00 C ATOM 371 OG SER A 28 -11.580 -6.662 -0.379 1.00 0.00 O ATOM 0 H SER A 28 -12.377 -4.619 0.106 1.00 0.00 H new ATOM 0 HA SER A 28 -9.599 -4.846 0.603 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.918 -5.585 -2.010 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.669 -6.438 -1.125 1.00 0.00 H new ATOM 0 HG SER A 28 -11.183 -7.139 0.380 1.00 0.00 H new ATOM 377 N LEU A 29 -8.526 -3.015 -0.630 1.00 0.00 N ATOM 378 CA LEU A 29 -7.876 -1.906 -1.306 1.00 0.00 C ATOM 379 C LEU A 29 -6.828 -2.404 -2.289 1.00 0.00 C ATOM 380 O LEU A 29 -6.106 -3.367 -2.011 1.00 0.00 O ATOM 381 CB LEU A 29 -7.216 -0.961 -0.293 1.00 0.00 C ATOM 382 CG LEU A 29 -7.756 -1.047 1.135 1.00 0.00 C ATOM 383 CD1 LEU A 29 -6.637 -1.382 2.110 1.00 0.00 C ATOM 384 CD2 LEU A 29 -8.432 0.260 1.523 1.00 0.00 C ATOM 0 H LEU A 29 -8.026 -3.361 0.189 1.00 0.00 H new ATOM 0 HA LEU A 29 -8.645 -1.362 -1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.146 -1.169 -0.272 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.335 0.063 -0.647 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.497 -1.846 1.179 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.040 -1.439 3.121 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.195 -2.341 1.841 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.873 -0.606 2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -8.812 0.185 2.542 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.710 1.075 1.464 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -9.259 0.458 0.841 1.00 0.00 H new ATOM 396 N GLY A 30 -6.759 -1.749 -3.437 1.00 0.00 N ATOM 397 CA GLY A 30 -5.717 -2.036 -4.397 1.00 0.00 C ATOM 398 C GLY A 30 -4.483 -1.229 -4.080 1.00 0.00 C ATOM 399 O GLY A 30 -4.523 0.001 -4.085 1.00 0.00 O ATOM 0 H GLY A 30 -7.412 -1.019 -3.722 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.479 -3.100 -4.380 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.065 -1.803 -5.403 1.00 0.00 H new ATOM 403 N CYS A 31 -3.396 -1.901 -3.777 1.00 0.00 N ATOM 404 CA CYS A 31 -2.228 -1.219 -3.264 1.00 0.00 C ATOM 405 C CYS A 31 -0.980 -1.504 -4.087 1.00 0.00 C ATOM 406 O CYS A 31 -0.803 -2.597 -4.615 1.00 0.00 O ATOM 407 CB CYS A 31 -1.994 -1.631 -1.817 1.00 0.00 C ATOM 408 SG CYS A 31 -0.854 -0.537 -0.922 1.00 0.00 S ATOM 0 H CYS A 31 -3.295 -2.911 -3.875 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.420 -0.148 -3.327 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.951 -1.650 -1.295 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -1.600 -2.647 -1.797 1.00 0.00 H new ATOM 413 N VAL A 32 -0.132 -0.495 -4.198 1.00 0.00 N ATOM 414 CA VAL A 32 1.185 -0.645 -4.789 1.00 0.00 C ATOM 415 C VAL A 32 2.224 -0.624 -3.677 1.00 0.00 C ATOM 416 O VAL A 32 2.151 0.218 -2.782 1.00 0.00 O ATOM 417 CB VAL A 32 1.491 0.492 -5.790 1.00 0.00 C ATOM 418 CG1 VAL A 32 2.785 0.222 -6.543 1.00 0.00 C ATOM 419 CG2 VAL A 32 0.337 0.687 -6.765 1.00 0.00 C ATOM 0 H VAL A 32 -0.339 0.452 -3.880 1.00 0.00 H new ATOM 0 HA VAL A 32 1.215 -1.590 -5.332 1.00 0.00 H new ATOM 0 HB VAL A 32 1.614 1.412 -5.219 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.977 1.037 -7.241 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.610 0.149 -5.834 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.697 -0.714 -7.094 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.578 1.493 -7.458 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.173 -0.235 -7.323 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.567 0.943 -6.212 1.00 0.00 H new ATOM 429 N VAL A 33 3.162 -1.558 -3.707 1.00 0.00 N ATOM 430 CA VAL A 33 4.207 -1.607 -2.691 1.00 0.00 C ATOM 431 C VAL A 33 5.032 -0.327 -2.725 1.00 0.00 C ATOM 432 O VAL A 33 5.686 -0.027 -3.723 1.00 0.00 O ATOM 433 CB VAL A 33 5.138 -2.825 -2.877 1.00 0.00 C ATOM 434 CG1 VAL A 33 6.129 -2.926 -1.727 1.00 0.00 C ATOM 435 CG2 VAL A 33 4.332 -4.109 -2.996 1.00 0.00 C ATOM 0 H VAL A 33 3.223 -2.288 -4.417 1.00 0.00 H new ATOM 0 HA VAL A 33 3.714 -1.705 -1.724 1.00 0.00 H new ATOM 0 HB VAL A 33 5.696 -2.683 -3.802 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.775 -3.791 -1.878 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.736 -2.022 -1.690 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.587 -3.038 -0.788 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.009 -4.953 -3.126 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.742 -4.253 -2.091 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.666 -4.042 -3.856 1.00 0.00 H new ATOM 445 N GLY A 34 4.973 0.433 -1.638 1.00 0.00 N ATOM 446 CA GLY A 34 5.689 1.684 -1.570 1.00 0.00 C ATOM 447 C GLY A 34 7.184 1.480 -1.477 1.00 0.00 C ATOM 448 O GLY A 34 7.681 0.916 -0.502 1.00 0.00 O ATOM 0 H GLY A 34 4.438 0.200 -0.801 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.459 2.281 -2.453 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.346 2.251 -0.704 1.00 0.00 H new ATOM 452 N VAL A 35 7.895 1.930 -2.495 1.00 0.00 N ATOM 453 CA VAL A 35 9.343 1.820 -2.524 1.00 0.00 C ATOM 454 C VAL A 35 9.974 3.196 -2.671 1.00 0.00 C ATOM 455 O VAL A 35 9.273 4.210 -2.699 1.00 0.00 O ATOM 456 CB VAL A 35 9.821 0.913 -3.679 1.00 0.00 C ATOM 457 CG1 VAL A 35 9.705 -0.551 -3.291 1.00 0.00 C ATOM 458 CG2 VAL A 35 9.032 1.197 -4.949 1.00 0.00 C ATOM 0 H VAL A 35 7.491 2.378 -3.317 1.00 0.00 H new ATOM 0 HA VAL A 35 9.655 1.370 -1.581 1.00 0.00 H new ATOM 0 HB VAL A 35 10.870 1.133 -3.875 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.046 -1.175 -4.117 1.00 0.00 H new ATOM 0 HG12 VAL A 35 10.320 -0.744 -2.412 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.665 -0.786 -3.065 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.385 0.547 -5.750 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.973 1.009 -4.769 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.172 2.238 -5.239 1.00 0.00 H new ATOM 468 N ILE A 36 11.293 3.232 -2.772 1.00 0.00 N ATOM 469 CA ILE A 36 12.013 4.486 -2.934 1.00 0.00 C ATOM 470 C ILE A 36 11.683 5.123 -4.281 1.00 0.00 C ATOM 471 O ILE A 36 12.097 4.630 -5.329 1.00 0.00 O ATOM 472 CB ILE A 36 13.541 4.286 -2.824 1.00 0.00 C ATOM 473 CG1 ILE A 36 13.876 3.300 -1.705 1.00 0.00 C ATOM 474 CG2 ILE A 36 14.234 5.619 -2.578 1.00 0.00 C ATOM 475 CD1 ILE A 36 14.568 2.046 -2.192 1.00 0.00 C ATOM 0 H ILE A 36 11.889 2.405 -2.745 1.00 0.00 H new ATOM 0 HA ILE A 36 11.693 5.147 -2.128 1.00 0.00 H new ATOM 0 HB ILE A 36 13.902 3.874 -3.766 1.00 0.00 H new ATOM 0 HG12 ILE A 36 14.513 3.796 -0.973 1.00 0.00 H new ATOM 0 HG13 ILE A 36 12.957 3.021 -1.190 1.00 0.00 H new ATOM 0 HG21 ILE A 36 15.310 5.461 -2.503 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.023 6.297 -3.405 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.865 6.055 -1.649 1.00 0.00 H new ATOM 0 HD11 ILE A 36 14.775 1.392 -1.345 1.00 0.00 H new ATOM 0 HD12 ILE A 36 13.924 1.527 -2.901 1.00 0.00 H new ATOM 0 HD13 ILE A 36 15.504 2.314 -2.681 1.00 0.00 H new ATOM 487 N GLY A 37 10.919 6.207 -4.242 1.00 0.00 N ATOM 488 CA GLY A 37 10.553 6.897 -5.462 1.00 0.00 C ATOM 489 C GLY A 37 9.127 6.607 -5.887 1.00 0.00 C ATOM 490 O GLY A 37 8.845 6.439 -7.076 1.00 0.00 O ATOM 0 H GLY A 37 10.547 6.620 -3.387 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.675 7.971 -5.319 1.00 0.00 H new ATOM 0 HA3 GLY A 37 11.234 6.602 -6.261 1.00 0.00 H new ATOM 494 N SER A 38 8.227 6.543 -4.918 1.00 0.00 N ATOM 495 CA SER A 38 6.818 6.314 -5.205 1.00 0.00 C ATOM 496 C SER A 38 5.981 7.516 -4.787 1.00 0.00 C ATOM 497 O SER A 38 5.719 7.723 -3.602 1.00 0.00 O ATOM 498 CB SER A 38 6.326 5.053 -4.491 1.00 0.00 C ATOM 499 OG SER A 38 7.327 4.050 -4.485 1.00 0.00 O ATOM 0 H SER A 38 8.446 6.646 -3.927 1.00 0.00 H new ATOM 0 HA SER A 38 6.707 6.174 -6.280 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.045 5.297 -3.467 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.431 4.676 -4.986 1.00 0.00 H new ATOM 0 HG SER A 38 7.912 4.177 -3.709 1.00 0.00 H new ATOM 505 N GLN A 39 5.583 8.320 -5.761 1.00 0.00 N ATOM 506 CA GLN A 39 4.741 9.473 -5.495 1.00 0.00 C ATOM 507 C GLN A 39 3.292 9.037 -5.339 1.00 0.00 C ATOM 508 O GLN A 39 2.573 8.868 -6.323 1.00 0.00 O ATOM 509 CB GLN A 39 4.864 10.504 -6.618 1.00 0.00 C ATOM 510 CG GLN A 39 4.490 11.913 -6.192 1.00 0.00 C ATOM 511 CD GLN A 39 4.872 12.949 -7.225 1.00 0.00 C ATOM 512 OE1 GLN A 39 4.419 12.902 -8.368 1.00 0.00 O ATOM 513 NE2 GLN A 39 5.711 13.892 -6.834 1.00 0.00 N ATOM 0 H GLN A 39 5.830 8.194 -6.743 1.00 0.00 H new ATOM 0 HA GLN A 39 5.074 9.936 -4.566 1.00 0.00 H new ATOM 0 HB2 GLN A 39 5.889 10.505 -6.988 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.225 10.203 -7.448 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.416 11.962 -6.012 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.982 12.147 -5.248 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.064 13.896 -5.877 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.006 14.616 -7.489 1.00 0.00 H new ATOM 522 N CYS A 40 2.880 8.846 -4.098 1.00 0.00 N ATOM 523 CA CYS A 40 1.534 8.392 -3.790 1.00 0.00 C ATOM 524 C CYS A 40 0.514 9.485 -4.071 1.00 0.00 C ATOM 525 O CYS A 40 0.454 10.485 -3.356 1.00 0.00 O ATOM 526 CB CYS A 40 1.446 7.963 -2.321 1.00 0.00 C ATOM 527 SG CYS A 40 2.067 6.280 -2.001 1.00 0.00 S ATOM 0 H CYS A 40 3.466 9.000 -3.278 1.00 0.00 H new ATOM 0 HA CYS A 40 1.309 7.538 -4.429 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.011 8.669 -1.713 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.407 8.023 -1.997 1.00 0.00 H new ATOM 532 N GLY A 41 -0.266 9.298 -5.129 1.00 0.00 N ATOM 533 CA GLY A 41 -1.331 10.231 -5.441 1.00 0.00 C ATOM 534 C GLY A 41 -2.541 9.993 -4.566 1.00 0.00 C ATOM 535 O GLY A 41 -3.384 10.873 -4.397 1.00 0.00 O ATOM 0 H GLY A 41 -0.179 8.515 -5.777 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.975 11.252 -5.304 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.612 10.129 -6.489 1.00 0.00 H new ATOM 539 N ALA A 42 -2.619 8.790 -4.011 1.00 0.00 N ATOM 540 CA ALA A 42 -3.698 8.422 -3.112 1.00 0.00 C ATOM 541 C ALA A 42 -3.248 8.576 -1.662 1.00 0.00 C ATOM 542 O ALA A 42 -2.861 9.668 -1.242 1.00 0.00 O ATOM 543 CB ALA A 42 -4.158 6.997 -3.393 1.00 0.00 C ATOM 0 H ALA A 42 -1.938 8.048 -4.172 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.543 9.089 -3.280 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.967 6.735 -2.711 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.512 6.925 -4.421 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.324 6.310 -3.247 1.00 0.00 H new ATOM 549 N SER A 43 -3.274 7.487 -0.909 1.00 0.00 N ATOM 550 CA SER A 43 -2.891 7.520 0.491 1.00 0.00 C ATOM 551 C SER A 43 -1.728 6.572 0.766 1.00 0.00 C ATOM 552 O SER A 43 -1.795 5.384 0.448 1.00 0.00 O ATOM 553 CB SER A 43 -4.088 7.143 1.369 1.00 0.00 C ATOM 554 OG SER A 43 -5.076 8.161 1.356 1.00 0.00 O ATOM 0 H SER A 43 -3.558 6.567 -1.247 1.00 0.00 H new ATOM 0 HA SER A 43 -2.569 8.533 0.731 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.521 6.208 1.015 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.752 6.972 2.392 1.00 0.00 H new ATOM 0 HG SER A 43 -5.829 7.893 1.923 1.00 0.00 H new ATOM 560 N VAL A 44 -0.657 7.107 1.339 1.00 0.00 N ATOM 561 CA VAL A 44 0.445 6.278 1.798 1.00 0.00 C ATOM 562 C VAL A 44 0.071 5.663 3.144 1.00 0.00 C ATOM 563 O VAL A 44 -0.091 6.367 4.143 1.00 0.00 O ATOM 564 CB VAL A 44 1.769 7.079 1.910 1.00 0.00 C ATOM 565 CG1 VAL A 44 1.540 8.432 2.573 1.00 0.00 C ATOM 566 CG2 VAL A 44 2.828 6.280 2.657 1.00 0.00 C ATOM 0 H VAL A 44 -0.530 8.107 1.495 1.00 0.00 H new ATOM 0 HA VAL A 44 0.617 5.491 1.064 1.00 0.00 H new ATOM 0 HB VAL A 44 2.134 7.261 0.899 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.486 8.970 2.638 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.832 9.012 1.981 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.138 8.283 3.575 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.746 6.864 2.722 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.471 6.053 3.662 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.026 5.350 2.123 1.00 0.00 H new ATOM 576 N LYS A 45 -0.110 4.358 3.149 1.00 0.00 N ATOM 577 CA LYS A 45 -0.608 3.663 4.323 1.00 0.00 C ATOM 578 C LYS A 45 0.467 2.781 4.932 1.00 0.00 C ATOM 579 O LYS A 45 1.448 2.436 4.276 1.00 0.00 O ATOM 580 CB LYS A 45 -1.829 2.818 3.953 1.00 0.00 C ATOM 581 CG LYS A 45 -2.932 3.610 3.270 1.00 0.00 C ATOM 582 CD LYS A 45 -4.312 3.154 3.718 1.00 0.00 C ATOM 583 CE LYS A 45 -4.615 3.592 5.145 1.00 0.00 C ATOM 584 NZ LYS A 45 -4.137 4.974 5.430 1.00 0.00 N ATOM 0 H LYS A 45 0.081 3.753 2.350 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.897 4.409 5.063 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.514 2.008 3.295 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.229 2.358 4.856 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.809 4.670 3.492 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.845 3.498 2.189 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.066 3.561 3.045 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.376 2.068 3.649 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.690 3.540 5.317 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.146 2.898 5.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.352 5.219 6.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.110 5.025 5.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.616 5.645 4.795 1.00 0.00 H new ATOM 598 N CYS A 46 0.275 2.427 6.188 1.00 0.00 N ATOM 599 CA CYS A 46 1.192 1.545 6.882 1.00 0.00 C ATOM 600 C CYS A 46 0.505 0.222 7.175 1.00 0.00 C ATOM 601 O CYS A 46 -0.189 0.070 8.184 1.00 0.00 O ATOM 602 CB CYS A 46 1.685 2.188 8.179 1.00 0.00 C ATOM 603 SG CYS A 46 2.370 3.865 7.967 1.00 0.00 S ATOM 0 H CYS A 46 -0.515 2.740 6.752 1.00 0.00 H new ATOM 0 HA CYS A 46 2.057 1.365 6.244 1.00 0.00 H new ATOM 0 HB2 CYS A 46 0.858 2.232 8.887 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.449 1.549 8.621 1.00 0.00 H new ATOM 608 N CYS A 47 0.687 -0.727 6.277 1.00 0.00 N ATOM 609 CA CYS A 47 0.037 -2.016 6.393 1.00 0.00 C ATOM 610 C CYS A 47 1.056 -3.108 6.655 1.00 0.00 C ATOM 611 O CYS A 47 2.207 -3.007 6.232 1.00 0.00 O ATOM 612 CB CYS A 47 -0.736 -2.334 5.112 1.00 0.00 C ATOM 613 SG CYS A 47 -1.386 -0.869 4.248 1.00 0.00 S ATOM 0 H CYS A 47 1.283 -0.627 5.455 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.657 -1.973 7.233 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -0.082 -2.882 4.433 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -1.567 -2.995 5.357 1.00 0.00 H new ATOM 618 N LYS A 48 0.644 -4.143 7.368 1.00 0.00 N ATOM 619 CA LYS A 48 1.482 -5.316 7.521 1.00 0.00 C ATOM 620 C LYS A 48 1.423 -6.110 6.230 1.00 0.00 C ATOM 621 O LYS A 48 2.452 -6.535 5.705 1.00 0.00 O ATOM 622 CB LYS A 48 1.026 -6.167 8.707 1.00 0.00 C ATOM 623 CG LYS A 48 2.145 -6.482 9.684 1.00 0.00 C ATOM 624 CD LYS A 48 1.619 -7.122 10.957 1.00 0.00 C ATOM 625 CE LYS A 48 2.564 -6.896 12.125 1.00 0.00 C ATOM 626 NZ LYS A 48 3.580 -7.976 12.233 1.00 0.00 N ATOM 0 H LYS A 48 -0.256 -4.194 7.845 1.00 0.00 H new ATOM 0 HA LYS A 48 2.509 -5.012 7.724 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.228 -5.645 9.235 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.604 -7.101 8.335 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.863 -7.151 9.211 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.680 -5.565 9.932 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.639 -6.709 11.195 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.484 -8.192 10.799 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.066 -5.936 12.005 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.991 -6.843 13.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.083 -7.890 13.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.109 -8.902 12.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.260 -7.893 11.450 1.00 0.00 H new ATOM 640 N ASP A 49 0.193 -6.285 5.735 1.00 0.00 N ATOM 641 CA ASP A 49 -0.066 -6.855 4.413 1.00 0.00 C ATOM 642 C ASP A 49 0.308 -8.341 4.371 1.00 0.00 C ATOM 643 O ASP A 49 1.078 -8.825 5.198 1.00 0.00 O ATOM 644 CB ASP A 49 0.677 -6.039 3.337 1.00 0.00 C ATOM 645 CG ASP A 49 1.064 -6.845 2.113 1.00 0.00 C ATOM 646 OD1 ASP A 49 0.181 -7.118 1.275 1.00 0.00 O ATOM 647 OD2 ASP A 49 2.257 -7.193 1.985 1.00 0.00 O ATOM 0 H ASP A 49 -0.654 -6.033 6.245 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.134 -6.796 4.202 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.046 -5.206 3.027 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.577 -5.610 3.777 1.00 0.00 H new ATOM 652 N ASP A 50 -0.273 -9.075 3.438 1.00 0.00 N ATOM 653 CA ASP A 50 0.019 -10.495 3.310 1.00 0.00 C ATOM 654 C ASP A 50 0.556 -10.821 1.921 1.00 0.00 C ATOM 655 O ASP A 50 -0.026 -11.632 1.190 1.00 0.00 O ATOM 656 CB ASP A 50 -1.225 -11.334 3.603 1.00 0.00 C ATOM 657 CG ASP A 50 -0.882 -12.750 4.031 1.00 0.00 C ATOM 658 OD1 ASP A 50 0.259 -12.983 4.485 1.00 0.00 O ATOM 659 OD2 ASP A 50 -1.755 -13.639 3.926 1.00 0.00 O ATOM 0 H ASP A 50 -0.946 -8.716 2.761 1.00 0.00 H new ATOM 0 HA ASP A 50 0.787 -10.742 4.043 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.808 -10.852 4.387 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.854 -11.369 2.713 1.00 0.00 H new ATOM 664 N VAL A 51 1.657 -10.171 1.552 1.00 0.00 N ATOM 665 CA VAL A 51 2.352 -10.483 0.311 1.00 0.00 C ATOM 666 C VAL A 51 2.777 -11.955 0.306 1.00 0.00 C ATOM 667 O VAL A 51 3.765 -12.349 0.932 1.00 0.00 O ATOM 668 CB VAL A 51 3.581 -9.561 0.085 1.00 0.00 C ATOM 669 CG1 VAL A 51 4.445 -9.471 1.335 1.00 0.00 C ATOM 670 CG2 VAL A 51 4.404 -10.034 -1.107 1.00 0.00 C ATOM 0 H VAL A 51 2.086 -9.424 2.098 1.00 0.00 H new ATOM 0 HA VAL A 51 1.660 -10.304 -0.512 1.00 0.00 H new ATOM 0 HB VAL A 51 3.207 -8.561 -0.133 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.296 -8.818 1.143 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.855 -9.065 2.157 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.803 -10.465 1.602 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.259 -9.372 -1.245 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.757 -11.049 -0.926 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.786 -10.020 -2.005 1.00 0.00 H new ATOM 680 N THR A 52 2.002 -12.771 -0.387 1.00 0.00 N ATOM 681 CA THR A 52 2.222 -14.206 -0.395 1.00 0.00 C ATOM 682 C THR A 52 3.355 -14.582 -1.343 1.00 0.00 C ATOM 683 O THR A 52 4.400 -15.072 -0.920 1.00 0.00 O ATOM 684 CB THR A 52 0.934 -14.937 -0.805 1.00 0.00 C ATOM 685 OG1 THR A 52 -0.153 -13.995 -0.856 1.00 0.00 O ATOM 686 CG2 THR A 52 0.601 -16.049 0.178 1.00 0.00 C ATOM 0 H THR A 52 1.212 -12.462 -0.953 1.00 0.00 H new ATOM 0 HA THR A 52 2.503 -14.510 0.613 1.00 0.00 H new ATOM 0 HB THR A 52 1.086 -15.384 -1.787 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.975 -14.459 -1.119 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.315 -16.550 -0.136 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.418 -16.770 0.203 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.460 -15.625 1.172 1.00 0.00 H new ATOM 694 N ASN A 53 3.139 -14.343 -2.627 1.00 0.00 N ATOM 695 CA ASN A 53 4.137 -14.640 -3.648 1.00 0.00 C ATOM 696 C ASN A 53 3.820 -13.857 -4.908 1.00 0.00 C ATOM 697 O ASN A 53 4.696 -13.252 -5.527 1.00 0.00 O ATOM 698 CB ASN A 53 4.162 -16.143 -3.954 1.00 0.00 C ATOM 699 CG ASN A 53 5.428 -16.583 -4.666 1.00 0.00 C ATOM 700 OD1 ASN A 53 6.438 -15.880 -4.667 1.00 0.00 O ATOM 701 ND2 ASN A 53 5.384 -17.759 -5.272 1.00 0.00 N ATOM 0 H ASN A 53 2.275 -13.941 -2.991 1.00 0.00 H new ATOM 0 HA ASN A 53 5.120 -14.349 -3.278 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.064 -16.699 -3.022 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.299 -16.397 -4.569 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.206 -18.111 -5.762 1.00 0.00 H new ATOM 0 HD22 ASN A 53 4.528 -18.313 -5.249 1.00 0.00 H new ATOM 708 N THR A 54 2.548 -13.876 -5.271 1.00 0.00 N ATOM 709 CA THR A 54 2.061 -13.142 -6.421 1.00 0.00 C ATOM 710 C THR A 54 1.622 -11.736 -6.013 1.00 0.00 C ATOM 711 O THR A 54 0.601 -11.565 -5.342 1.00 0.00 O ATOM 712 CB THR A 54 0.879 -13.893 -7.047 1.00 0.00 C ATOM 713 OG1 THR A 54 0.416 -14.890 -6.124 1.00 0.00 O ATOM 714 CG2 THR A 54 1.286 -14.559 -8.353 1.00 0.00 C ATOM 0 H THR A 54 1.827 -14.401 -4.776 1.00 0.00 H new ATOM 0 HA THR A 54 2.867 -13.057 -7.150 1.00 0.00 H new ATOM 0 HB THR A 54 0.084 -13.179 -7.261 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.341 -15.373 -6.517 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.430 -15.084 -8.776 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.630 -13.801 -9.056 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.090 -15.270 -8.164 1.00 0.00 H new ATOM 722 N GLY A 55 2.412 -10.741 -6.394 1.00 0.00 N ATOM 723 CA GLY A 55 2.091 -9.368 -6.066 1.00 0.00 C ATOM 724 C GLY A 55 3.333 -8.520 -5.888 1.00 0.00 C ATOM 725 O GLY A 55 4.100 -8.720 -4.946 1.00 0.00 O ATOM 0 H GLY A 55 3.273 -10.862 -6.927 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.472 -8.942 -6.856 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.501 -9.343 -5.150 1.00 0.00 H new ATOM 729 N ASN A 56 3.543 -7.587 -6.804 1.00 0.00 N ATOM 730 CA ASN A 56 4.686 -6.685 -6.733 1.00 0.00 C ATOM 731 C ASN A 56 4.249 -5.260 -7.045 1.00 0.00 C ATOM 732 O ASN A 56 4.369 -4.366 -6.209 1.00 0.00 O ATOM 733 CB ASN A 56 5.785 -7.124 -7.705 1.00 0.00 C ATOM 734 CG ASN A 56 6.956 -6.154 -7.744 1.00 0.00 C ATOM 735 OD1 ASN A 56 7.346 -5.584 -6.724 1.00 0.00 O ATOM 736 ND2 ASN A 56 7.529 -5.968 -8.923 1.00 0.00 N ATOM 0 H ASN A 56 2.935 -7.433 -7.609 1.00 0.00 H new ATOM 0 HA ASN A 56 5.089 -6.720 -5.721 1.00 0.00 H new ATOM 0 HB2 ASN A 56 6.146 -8.111 -7.417 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.363 -7.218 -8.706 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.323 -5.334 -9.010 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.176 -6.459 -9.745 1.00 0.00 H new ATOM 743 N SER A 57 3.732 -5.053 -8.248 1.00 0.00 N ATOM 744 CA SER A 57 3.253 -3.740 -8.649 1.00 0.00 C ATOM 745 C SER A 57 1.864 -3.484 -8.077 1.00 0.00 C ATOM 746 O SER A 57 1.482 -2.345 -7.824 1.00 0.00 O ATOM 747 CB SER A 57 3.225 -3.647 -10.173 1.00 0.00 C ATOM 748 OG SER A 57 3.297 -4.940 -10.753 1.00 0.00 O ATOM 0 H SER A 57 3.634 -5.776 -8.961 1.00 0.00 H new ATOM 0 HA SER A 57 3.930 -2.980 -8.258 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.311 -3.148 -10.496 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.060 -3.039 -10.521 1.00 0.00 H new ATOM 0 HG SER A 57 3.276 -4.862 -11.730 1.00 0.00 H new ATOM 754 N PHE A 58 1.116 -4.557 -7.867 1.00 0.00 N ATOM 755 CA PHE A 58 -0.216 -4.453 -7.307 1.00 0.00 C ATOM 756 C PHE A 58 -0.479 -5.584 -6.325 1.00 0.00 C ATOM 757 O PHE A 58 -0.291 -6.761 -6.641 1.00 0.00 O ATOM 758 CB PHE A 58 -1.269 -4.466 -8.415 1.00 0.00 C ATOM 759 CG PHE A 58 -2.339 -3.427 -8.236 1.00 0.00 C ATOM 760 CD1 PHE A 58 -2.034 -2.079 -8.328 1.00 0.00 C ATOM 761 CD2 PHE A 58 -3.647 -3.800 -7.973 1.00 0.00 C ATOM 762 CE1 PHE A 58 -3.017 -1.119 -8.162 1.00 0.00 C ATOM 763 CE2 PHE A 58 -4.632 -2.846 -7.805 1.00 0.00 C ATOM 764 CZ PHE A 58 -4.317 -1.504 -7.900 1.00 0.00 C ATOM 0 H PHE A 58 1.413 -5.510 -8.078 1.00 0.00 H new ATOM 0 HA PHE A 58 -0.282 -3.506 -6.772 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.777 -4.308 -9.375 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.733 -5.452 -8.453 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.018 -1.774 -8.531 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.899 -4.847 -7.899 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.768 -0.071 -8.237 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.648 -3.149 -7.599 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.086 -0.757 -7.770 1.00 0.00 H new ATOM 774 N LEU A 59 -0.893 -5.212 -5.130 1.00 0.00 N ATOM 775 CA LEU A 59 -1.265 -6.165 -4.101 1.00 0.00 C ATOM 776 C LEU A 59 -2.612 -5.771 -3.517 1.00 0.00 C ATOM 777 O LEU A 59 -2.950 -4.588 -3.469 1.00 0.00 O ATOM 778 CB LEU A 59 -0.201 -6.208 -3.001 1.00 0.00 C ATOM 779 CG LEU A 59 0.531 -7.541 -2.858 1.00 0.00 C ATOM 780 CD1 LEU A 59 1.932 -7.320 -2.311 1.00 0.00 C ATOM 781 CD2 LEU A 59 -0.252 -8.486 -1.959 1.00 0.00 C ATOM 0 H LEU A 59 -0.981 -4.237 -4.843 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.338 -7.159 -4.542 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.534 -5.427 -3.197 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.675 -5.968 -2.049 1.00 0.00 H new ATOM 0 HG LEU A 59 0.614 -7.998 -3.844 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.441 -8.279 -2.215 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.492 -6.679 -2.992 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.870 -6.843 -1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.285 -9.430 -1.869 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.366 -8.038 -0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.236 -8.668 -2.391 1.00 0.00 H new ATOM 793 N ILE A 60 -3.385 -6.752 -3.089 1.00 0.00 N ATOM 794 CA ILE A 60 -4.701 -6.487 -2.531 1.00 0.00 C ATOM 795 C ILE A 60 -4.677 -6.646 -1.017 1.00 0.00 C ATOM 796 O ILE A 60 -4.276 -7.688 -0.499 1.00 0.00 O ATOM 797 CB ILE A 60 -5.774 -7.418 -3.141 1.00 0.00 C ATOM 798 CG1 ILE A 60 -5.767 -7.308 -4.672 1.00 0.00 C ATOM 799 CG2 ILE A 60 -7.156 -7.090 -2.585 1.00 0.00 C ATOM 800 CD1 ILE A 60 -6.140 -5.935 -5.195 1.00 0.00 C ATOM 0 H ILE A 60 -3.126 -7.738 -3.116 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.963 -5.459 -2.781 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.534 -8.445 -2.866 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.774 -7.568 -5.040 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -6.461 -8.042 -5.082 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -7.895 -7.758 -3.029 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -7.153 -7.220 -1.503 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.409 -6.058 -2.826 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.111 -5.941 -6.285 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -7.145 -5.679 -4.860 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.432 -5.197 -4.817 1.00 0.00 H new ATOM 812 N ILE A 61 -5.086 -5.601 -0.317 1.00 0.00 N ATOM 813 CA ILE A 61 -5.120 -5.614 1.137 1.00 0.00 C ATOM 814 C ILE A 61 -6.561 -5.568 1.629 1.00 0.00 C ATOM 815 O ILE A 61 -7.348 -4.734 1.187 1.00 0.00 O ATOM 816 CB ILE A 61 -4.332 -4.426 1.729 1.00 0.00 C ATOM 817 CG1 ILE A 61 -2.867 -4.495 1.297 1.00 0.00 C ATOM 818 CG2 ILE A 61 -4.436 -4.415 3.245 1.00 0.00 C ATOM 819 CD1 ILE A 61 -2.173 -3.154 1.308 1.00 0.00 C ATOM 0 H ILE A 61 -5.402 -4.726 -0.736 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.649 -6.538 1.472 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.766 -3.501 1.349 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.333 -5.177 1.958 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.812 -4.916 0.293 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.874 -3.570 3.642 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.482 -4.324 3.537 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.027 -5.343 3.645 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.137 -3.278 0.991 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.683 -2.475 0.625 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.197 -2.740 2.316 1.00 0.00 H new ATOM 831 N ASN A 62 -6.898 -6.462 2.551 1.00 0.00 N ATOM 832 CA ASN A 62 -8.270 -6.584 3.041 1.00 0.00 C ATOM 833 C ASN A 62 -8.597 -5.548 4.116 1.00 0.00 C ATOM 834 O ASN A 62 -9.052 -5.902 5.203 1.00 0.00 O ATOM 835 CB ASN A 62 -8.515 -7.990 3.588 1.00 0.00 C ATOM 836 CG ASN A 62 -9.895 -8.507 3.232 1.00 0.00 C ATOM 837 OD1 ASN A 62 -10.346 -8.367 2.095 1.00 0.00 O ATOM 838 ND2 ASN A 62 -10.580 -9.091 4.203 1.00 0.00 N ATOM 0 H ASN A 62 -6.240 -7.115 2.976 1.00 0.00 H new ATOM 0 HA ASN A 62 -8.929 -6.399 2.193 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -7.760 -8.669 3.192 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -8.400 -7.982 4.672 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -11.519 -9.445 4.023 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -10.168 -9.187 5.131 1.00 0.00 H new ATOM 845 N ALA A 63 -8.345 -4.275 3.800 1.00 0.00 N ATOM 846 CA ALA A 63 -8.731 -3.136 4.648 1.00 0.00 C ATOM 847 C ALA A 63 -7.995 -3.093 5.993 1.00 0.00 C ATOM 848 O ALA A 63 -7.159 -2.219 6.218 1.00 0.00 O ATOM 849 CB ALA A 63 -10.239 -3.127 4.875 1.00 0.00 C ATOM 0 H ALA A 63 -7.864 -4.000 2.943 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.432 -2.240 4.104 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.507 -2.278 5.504 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -10.751 -3.044 3.916 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.538 -4.052 5.367 1.00 0.00 H new ATOM 855 N ALA A 64 -8.267 -4.065 6.855 1.00 0.00 N ATOM 856 CA ALA A 64 -7.871 -3.996 8.260 1.00 0.00 C ATOM 857 C ALA A 64 -6.391 -4.292 8.464 1.00 0.00 C ATOM 858 O ALA A 64 -5.881 -4.187 9.578 1.00 0.00 O ATOM 859 CB ALA A 64 -8.705 -4.967 9.082 1.00 0.00 C ATOM 0 H ALA A 64 -8.765 -4.919 6.604 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.048 -2.974 8.594 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.404 -4.910 10.128 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.760 -4.706 8.993 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.550 -5.981 8.715 1.00 0.00 H new ATOM 865 N ASN A 65 -5.702 -4.650 7.392 1.00 0.00 N ATOM 866 CA ASN A 65 -4.269 -4.903 7.471 1.00 0.00 C ATOM 867 C ASN A 65 -3.500 -3.587 7.467 1.00 0.00 C ATOM 868 O ASN A 65 -2.343 -3.520 7.885 1.00 0.00 O ATOM 869 CB ASN A 65 -3.815 -5.783 6.312 1.00 0.00 C ATOM 870 CG ASN A 65 -2.977 -6.953 6.776 1.00 0.00 C ATOM 871 OD1 ASN A 65 -1.946 -6.777 7.422 1.00 0.00 O ATOM 872 ND2 ASN A 65 -3.413 -8.156 6.442 1.00 0.00 N ATOM 0 H ASN A 65 -6.106 -4.772 6.463 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.062 -5.428 8.404 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -4.689 -6.154 5.776 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.240 -5.183 5.607 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.888 -8.985 6.722 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -4.274 -8.255 5.905 1.00 0.00 H new ATOM 879 N CYS A 66 -4.155 -2.544 6.976 1.00 0.00 N ATOM 880 CA CYS A 66 -3.610 -1.193 7.017 1.00 0.00 C ATOM 881 C CYS A 66 -4.142 -0.452 8.237 1.00 0.00 C ATOM 882 O CYS A 66 -5.247 0.090 8.214 1.00 0.00 O ATOM 883 CB CYS A 66 -3.982 -0.421 5.746 1.00 0.00 C ATOM 884 SG CYS A 66 -3.390 -1.189 4.204 1.00 0.00 S ATOM 0 H CYS A 66 -5.075 -2.609 6.540 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.524 -1.264 7.080 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.067 -0.325 5.697 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -3.575 0.588 5.815 1.00 0.00 H new ATOM 889 N VAL A 67 -3.353 -0.426 9.301 1.00 0.00 N ATOM 890 CA VAL A 67 -3.785 0.191 10.549 1.00 0.00 C ATOM 891 C VAL A 67 -3.642 1.710 10.492 1.00 0.00 C ATOM 892 O VAL A 67 -4.412 2.441 11.114 1.00 0.00 O ATOM 893 CB VAL A 67 -2.990 -0.358 11.754 1.00 0.00 C ATOM 894 CG1 VAL A 67 -3.268 -1.844 11.938 1.00 0.00 C ATOM 895 CG2 VAL A 67 -1.498 -0.107 11.581 1.00 0.00 C ATOM 0 H VAL A 67 -2.414 -0.823 9.327 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.837 -0.060 10.681 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.317 0.170 12.650 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.701 -2.217 12.791 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.333 -1.996 12.116 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.970 -2.384 11.039 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.960 -0.503 12.443 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.148 -0.603 10.676 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.316 0.965 11.501 1.00 0.00 H new ATOM 905 N ALA A 68 -2.668 2.177 9.722 1.00 0.00 N ATOM 906 CA ALA A 68 -2.417 3.601 9.589 1.00 0.00 C ATOM 907 C ALA A 68 -2.475 4.006 8.128 1.00 0.00 C ATOM 908 O ALA A 68 -2.971 5.114 7.833 1.00 0.00 O ATOM 909 CB ALA A 68 -1.068 3.964 10.192 1.00 0.00 C ATOM 910 OXT ALA A 68 -2.045 3.206 7.278 1.00 0.00 O ATOM 0 H ALA A 68 -2.038 1.586 9.179 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.190 4.145 10.132 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.897 5.035 10.083 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.060 3.701 11.250 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.279 3.416 9.676 1.00 0.00 H new