USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=26 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 Set 1.1: A 13 HIS : no HE2:sc= -0.34 K(o=2.8,f=2.3) USER MOD Set 1.2: A 17 CYS SG : rot -12:sc= 1.77 USER MOD Set 1.3: A 20 ASN :FLIP amide:sc= -0.147 F(o=2.1,f=2.8) USER MOD Set 1.4: A 69 TYR OH : rot 12:sc= 1.48 USER MOD Set 2.1: A 37 SER OG : rot -8:sc= 1.68 USER MOD Set 2.2: A 40 ASN : amide:sc= 0.0302 X(o=1.7,f=1.4) USER MOD Set 3.1: A 3 SER OG : rot -138:sc= 0.593 USER MOD Set 3.2: A 47 TYR OH : rot 180:sc= 0.179 USER MOD Single : A 4 THR OG1 : rot 25:sc= 0.825 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -174:sc= -0.841 (180deg=-1.16) USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -152:sc= 0.441 (180deg=-1.22) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 83:sc= 0.845 USER MOD Single : A 26 SER OG : rot -50:sc= 0.025 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.0139 USER MOD Single : A 32 SER OG : rot -139:sc= 1.3 USER MOD Single : A 33 SER OG : rot 29:sc= 1.21 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.175 X(o=-0.17,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -160:sc= 0.908 (180deg=-0.053) USER MOD Single : A 65 SER OG : rot 112:sc= 1.34 USER MOD Single : A 72 SER OG : rot 8:sc= 0.299 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.00212 USER MOD ----------------------------------------------------------------- ATOM 15 N ASP A 2 -10.981 -11.864 -5.385 1.00 0.00 N ATOM 16 CA ASP A 2 -10.309 -10.671 -4.899 1.00 0.00 C ATOM 17 C ASP A 2 -10.028 -9.641 -6.011 1.00 0.00 C ATOM 18 O ASP A 2 -10.001 -9.914 -7.209 1.00 0.00 O ATOM 19 CB ASP A 2 -9.067 -11.018 -4.041 1.00 0.00 C ATOM 20 CG ASP A 2 -8.157 -12.181 -4.485 1.00 0.00 C ATOM 21 OD1 ASP A 2 -8.453 -12.874 -5.485 1.00 0.00 O ATOM 22 OD2 ASP A 2 -7.184 -12.411 -3.729 1.00 0.00 O ATOM 0 HA ASP A 2 -11.006 -10.168 -4.229 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -8.450 -10.122 -3.977 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -9.415 -11.238 -3.032 1.00 0.00 H new ATOM 27 N SER A 3 -9.874 -8.404 -5.562 1.00 0.00 N ATOM 28 CA SER A 3 -9.527 -7.212 -6.320 1.00 0.00 C ATOM 29 C SER A 3 -8.035 -6.869 -6.155 1.00 0.00 C ATOM 30 O SER A 3 -7.273 -7.570 -5.483 1.00 0.00 O ATOM 31 CB SER A 3 -10.415 -6.067 -5.803 1.00 0.00 C ATOM 32 OG SER A 3 -10.362 -4.904 -6.611 1.00 0.00 O ATOM 0 H SER A 3 -10.000 -8.191 -4.572 1.00 0.00 H new ATOM 0 HA SER A 3 -9.696 -7.375 -7.384 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.447 -6.414 -5.747 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.109 -5.810 -4.789 1.00 0.00 H new ATOM 0 HG SER A 3 -10.321 -4.110 -6.039 1.00 0.00 H new ATOM 38 N THR A 4 -7.597 -5.756 -6.746 1.00 0.00 N ATOM 39 CA THR A 4 -6.194 -5.324 -6.787 1.00 0.00 C ATOM 40 C THR A 4 -6.111 -3.853 -7.157 1.00 0.00 C ATOM 41 O THR A 4 -6.940 -3.335 -7.900 1.00 0.00 O ATOM 42 CB THR A 4 -5.386 -6.218 -7.742 1.00 0.00 C ATOM 43 OG1 THR A 4 -5.070 -7.389 -7.047 1.00 0.00 O ATOM 44 CG2 THR A 4 -4.041 -5.661 -8.218 1.00 0.00 C ATOM 0 H THR A 4 -8.225 -5.110 -7.224 1.00 0.00 H new ATOM 0 HA THR A 4 -5.750 -5.434 -5.797 1.00 0.00 H new ATOM 0 HB THR A 4 -6.017 -6.335 -8.623 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.724 -7.531 -6.331 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.565 -6.380 -8.885 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.203 -4.724 -8.750 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.396 -5.482 -7.358 1.00 0.00 H new ATOM 52 N ALA A 5 -5.089 -3.185 -6.631 1.00 0.00 N ATOM 53 CA ALA A 5 -4.728 -1.812 -6.953 1.00 0.00 C ATOM 54 C ALA A 5 -3.222 -1.571 -6.731 1.00 0.00 C ATOM 55 O ALA A 5 -2.540 -2.341 -6.035 1.00 0.00 O ATOM 56 CB ALA A 5 -5.606 -0.866 -6.123 1.00 0.00 C ATOM 0 H ALA A 5 -4.466 -3.604 -5.941 1.00 0.00 H new ATOM 0 HA ALA A 5 -4.911 -1.614 -8.009 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.347 0.167 -6.354 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.655 -1.039 -6.363 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.441 -1.053 -5.062 1.00 0.00 H new ATOM 62 N THR A 6 -2.718 -0.481 -7.320 1.00 0.00 N ATOM 63 CA THR A 6 -1.328 -0.035 -7.200 1.00 0.00 C ATOM 64 C THR A 6 -1.291 1.367 -6.623 1.00 0.00 C ATOM 65 O THR A 6 -2.063 2.237 -7.017 1.00 0.00 O ATOM 66 CB THR A 6 -0.620 -0.042 -8.551 1.00 0.00 C ATOM 67 OG1 THR A 6 -0.754 -1.318 -9.128 1.00 0.00 O ATOM 68 CG2 THR A 6 0.869 0.262 -8.412 1.00 0.00 C ATOM 0 H THR A 6 -3.282 0.131 -7.909 1.00 0.00 H new ATOM 0 HA THR A 6 -0.809 -0.729 -6.538 1.00 0.00 H new ATOM 0 HB THR A 6 -1.076 0.729 -9.172 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.303 -1.332 -9.998 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.337 0.248 -9.396 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.999 1.247 -7.963 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.336 -0.491 -7.777 1.00 0.00 H new ATOM 76 N PHE A 7 -0.348 1.562 -5.708 1.00 0.00 N ATOM 77 CA PHE A 7 -0.157 2.788 -4.947 1.00 0.00 C ATOM 78 C PHE A 7 1.333 3.127 -4.856 1.00 0.00 C ATOM 79 O PHE A 7 2.187 2.238 -4.792 1.00 0.00 O ATOM 80 CB PHE A 7 -0.747 2.657 -3.533 1.00 0.00 C ATOM 81 CG PHE A 7 -2.144 2.055 -3.433 1.00 0.00 C ATOM 82 CD1 PHE A 7 -2.337 0.660 -3.549 1.00 0.00 C ATOM 83 CD2 PHE A 7 -3.264 2.891 -3.247 1.00 0.00 C ATOM 84 CE1 PHE A 7 -3.627 0.120 -3.545 1.00 0.00 C ATOM 85 CE2 PHE A 7 -4.557 2.340 -3.233 1.00 0.00 C ATOM 86 CZ PHE A 7 -4.742 0.957 -3.388 1.00 0.00 C ATOM 0 H PHE A 7 0.331 0.840 -5.468 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.679 3.592 -5.466 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -0.069 2.048 -2.935 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -0.769 3.648 -3.079 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.482 0.006 -3.641 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -3.128 3.954 -3.115 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.765 -0.945 -3.663 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.414 2.985 -3.102 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.738 0.539 -3.386 1.00 0.00 H new ATOM 96 N ILE A 8 1.664 4.415 -4.830 1.00 0.00 N ATOM 97 CA ILE A 8 3.031 4.921 -4.849 1.00 0.00 C ATOM 98 C ILE A 8 3.224 5.980 -3.777 1.00 0.00 C ATOM 99 O ILE A 8 2.328 6.793 -3.573 1.00 0.00 O ATOM 100 CB ILE A 8 3.343 5.413 -6.281 1.00 0.00 C ATOM 101 CG1 ILE A 8 4.863 5.592 -6.423 1.00 0.00 C ATOM 102 CG2 ILE A 8 2.603 6.701 -6.693 1.00 0.00 C ATOM 103 CD1 ILE A 8 5.359 5.396 -7.854 1.00 0.00 C ATOM 0 H ILE A 8 0.966 5.158 -4.794 1.00 0.00 H new ATOM 0 HA ILE A 8 3.747 4.136 -4.605 1.00 0.00 H new ATOM 0 HB ILE A 8 2.973 4.649 -6.964 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.138 6.590 -6.083 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.369 4.882 -5.769 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.882 6.971 -7.711 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.527 6.534 -6.644 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.876 7.510 -6.015 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.440 5.536 -7.887 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.113 4.389 -8.190 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.879 6.124 -8.508 1.00 0.00 H new ATOM 115 N ILE A 9 4.361 5.917 -3.077 1.00 0.00 N ATOM 116 CA ILE A 9 4.678 6.710 -1.900 1.00 0.00 C ATOM 117 C ILE A 9 5.937 7.545 -2.118 1.00 0.00 C ATOM 118 O ILE A 9 7.056 7.082 -1.912 1.00 0.00 O ATOM 119 CB ILE A 9 4.911 5.811 -0.667 1.00 0.00 C ATOM 120 CG1 ILE A 9 3.928 4.644 -0.471 1.00 0.00 C ATOM 121 CG2 ILE A 9 4.865 6.741 0.556 1.00 0.00 C ATOM 122 CD1 ILE A 9 4.211 3.368 -1.259 1.00 0.00 C ATOM 0 H ILE A 9 5.116 5.280 -3.333 1.00 0.00 H new ATOM 0 HA ILE A 9 3.824 7.365 -1.727 1.00 0.00 H new ATOM 0 HB ILE A 9 5.868 5.310 -0.812 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.907 4.391 0.589 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.930 4.992 -0.735 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.024 6.158 1.463 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.646 7.496 0.468 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.892 7.229 0.605 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.447 2.624 -1.033 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.198 3.589 -2.326 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.190 2.979 -0.981 1.00 0.00 H new ATOM 134 N ASP A 10 5.768 8.814 -2.441 1.00 0.00 N ATOM 135 CA ASP A 10 6.894 9.743 -2.476 1.00 0.00 C ATOM 136 C ASP A 10 7.210 10.264 -1.064 1.00 0.00 C ATOM 137 O ASP A 10 6.516 11.108 -0.507 1.00 0.00 O ATOM 138 CB ASP A 10 6.639 10.803 -3.552 1.00 0.00 C ATOM 139 CG ASP A 10 7.579 10.532 -4.738 1.00 0.00 C ATOM 140 OD1 ASP A 10 7.430 9.470 -5.390 1.00 0.00 O ATOM 141 OD2 ASP A 10 8.531 11.302 -4.975 1.00 0.00 O ATOM 0 H ASP A 10 4.868 9.228 -2.683 1.00 0.00 H new ATOM 0 HA ASP A 10 7.816 9.246 -2.778 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.599 10.769 -3.878 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.815 11.801 -3.150 1.00 0.00 H new ATOM 146 N GLY A 11 8.251 9.685 -0.464 1.00 0.00 N ATOM 147 CA GLY A 11 8.731 10.015 0.887 1.00 0.00 C ATOM 148 C GLY A 11 9.076 8.809 1.758 1.00 0.00 C ATOM 149 O GLY A 11 9.643 8.980 2.835 1.00 0.00 O ATOM 0 H GLY A 11 8.801 8.953 -0.913 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.615 10.646 0.799 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.968 10.605 1.394 1.00 0.00 H new ATOM 153 N MET A 12 8.775 7.582 1.313 1.00 0.00 N ATOM 154 CA MET A 12 9.109 6.381 2.086 1.00 0.00 C ATOM 155 C MET A 12 10.631 6.192 2.231 1.00 0.00 C ATOM 156 O MET A 12 11.380 6.409 1.286 1.00 0.00 O ATOM 157 CB MET A 12 8.396 5.150 1.498 1.00 0.00 C ATOM 158 CG MET A 12 9.169 4.395 0.418 1.00 0.00 C ATOM 159 SD MET A 12 8.288 2.964 -0.238 1.00 0.00 S ATOM 160 CE MET A 12 9.731 1.999 -0.727 1.00 0.00 C ATOM 0 H MET A 12 8.304 7.396 0.428 1.00 0.00 H new ATOM 0 HA MET A 12 8.738 6.510 3.103 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.173 4.459 2.311 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.441 5.470 1.080 1.00 0.00 H new ATOM 0 HG2 MET A 12 9.394 5.079 -0.401 1.00 0.00 H new ATOM 0 HG3 MET A 12 10.123 4.066 0.830 1.00 0.00 H new ATOM 0 HE1 MET A 12 9.407 1.105 -1.261 1.00 0.00 H new ATOM 0 HE2 MET A 12 10.367 2.600 -1.377 1.00 0.00 H new ATOM 0 HE3 MET A 12 10.292 1.708 0.161 1.00 0.00 H new ATOM 170 N HIS A 13 11.091 5.706 3.384 1.00 0.00 N ATOM 171 CA HIS A 13 12.499 5.391 3.712 1.00 0.00 C ATOM 172 C HIS A 13 13.110 4.196 2.910 1.00 0.00 C ATOM 173 O HIS A 13 13.862 3.383 3.460 1.00 0.00 O ATOM 174 CB HIS A 13 12.621 5.110 5.224 1.00 0.00 C ATOM 175 CG HIS A 13 12.062 6.104 6.225 1.00 0.00 C ATOM 176 ND1 HIS A 13 12.153 5.964 7.595 1.00 0.00 N ATOM 177 CD2 HIS A 13 11.377 7.272 6.001 1.00 0.00 C ATOM 178 CE1 HIS A 13 11.524 6.998 8.173 1.00 0.00 C ATOM 179 NE2 HIS A 13 11.038 7.822 7.241 1.00 0.00 N ATOM 0 H HIS A 13 10.464 5.507 4.163 1.00 0.00 H new ATOM 0 HA HIS A 13 13.075 6.268 3.418 1.00 0.00 H new ATOM 0 HB2 HIS A 13 12.140 4.151 5.416 1.00 0.00 H new ATOM 0 HB3 HIS A 13 13.681 4.986 5.447 1.00 0.00 H new ATOM 0 HD1 HIS A 13 12.620 5.202 8.086 1.00 0.00 H new ATOM 0 HD2 HIS A 13 11.141 7.693 5.035 1.00 0.00 H new ATOM 0 HE1 HIS A 13 11.425 7.143 9.239 1.00 0.00 H new ATOM 187 N CYS A 14 12.721 4.025 1.642 1.00 0.00 N ATOM 188 CA CYS A 14 13.264 3.064 0.674 1.00 0.00 C ATOM 189 C CYS A 14 13.230 1.619 1.212 1.00 0.00 C ATOM 190 O CYS A 14 12.202 1.179 1.739 1.00 0.00 O ATOM 191 CB CYS A 14 14.643 3.566 0.202 1.00 0.00 C ATOM 192 SG CYS A 14 14.468 5.173 -0.625 1.00 0.00 S ATOM 0 H CYS A 14 11.972 4.588 1.239 1.00 0.00 H new ATOM 0 HA CYS A 14 12.630 3.009 -0.211 1.00 0.00 H new ATOM 0 HB2 CYS A 14 15.317 3.657 1.054 1.00 0.00 H new ATOM 0 HB3 CYS A 14 15.088 2.843 -0.481 1.00 0.00 H new ATOM 0 HG CYS A 14 15.636 5.589 -1.017 1.00 0.00 H new ATOM 198 N LYS A 15 14.353 0.896 1.098 1.00 0.00 N ATOM 199 CA LYS A 15 14.504 -0.540 1.383 1.00 0.00 C ATOM 200 C LYS A 15 13.913 -0.980 2.738 1.00 0.00 C ATOM 201 O LYS A 15 13.390 -2.083 2.845 1.00 0.00 O ATOM 202 CB LYS A 15 16.010 -0.901 1.296 1.00 0.00 C ATOM 203 CG LYS A 15 16.275 -2.251 0.599 1.00 0.00 C ATOM 204 CD LYS A 15 16.510 -2.088 -0.916 1.00 0.00 C ATOM 205 CE LYS A 15 16.200 -3.387 -1.685 1.00 0.00 C ATOM 206 NZ LYS A 15 15.969 -3.146 -3.135 1.00 0.00 N ATOM 0 H LYS A 15 15.228 1.319 0.788 1.00 0.00 H new ATOM 0 HA LYS A 15 13.927 -1.084 0.635 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.535 -0.112 0.757 1.00 0.00 H new ATOM 0 HB3 LYS A 15 16.428 -0.931 2.302 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.146 -2.727 1.051 1.00 0.00 H new ATOM 0 HG3 LYS A 15 15.427 -2.916 0.764 1.00 0.00 H new ATOM 0 HD2 LYS A 15 15.883 -1.282 -1.297 1.00 0.00 H new ATOM 0 HD3 LYS A 15 17.545 -1.798 -1.094 1.00 0.00 H new ATOM 0 HE2 LYS A 15 17.028 -4.085 -1.563 1.00 0.00 H new ATOM 0 HE3 LYS A 15 15.318 -3.860 -1.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 15.333 -3.878 -3.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 15.536 -2.210 -3.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 16.876 -3.182 -3.642 1.00 0.00 H new ATOM 220 N SER A 16 13.944 -0.126 3.764 1.00 0.00 N ATOM 221 CA SER A 16 13.352 -0.440 5.075 1.00 0.00 C ATOM 222 C SER A 16 11.894 0.003 5.212 1.00 0.00 C ATOM 223 O SER A 16 11.145 -0.649 5.935 1.00 0.00 O ATOM 224 CB SER A 16 14.156 0.223 6.196 1.00 0.00 C ATOM 225 OG SER A 16 15.543 -0.022 6.027 1.00 0.00 O ATOM 0 H SER A 16 14.376 0.797 3.715 1.00 0.00 H new ATOM 0 HA SER A 16 13.382 -1.527 5.154 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.969 1.297 6.199 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.828 -0.161 7.162 1.00 0.00 H new ATOM 0 HG SER A 16 16.042 0.410 6.751 1.00 0.00 H new ATOM 231 N CYS A 17 11.448 1.068 4.523 1.00 0.00 N ATOM 232 CA CYS A 17 10.038 1.446 4.526 1.00 0.00 C ATOM 233 C CYS A 17 9.178 0.375 3.865 1.00 0.00 C ATOM 234 O CYS A 17 8.130 0.069 4.415 1.00 0.00 O ATOM 235 CB CYS A 17 9.909 2.844 3.937 1.00 0.00 C ATOM 236 SG CYS A 17 9.342 3.953 5.269 1.00 0.00 S ATOM 0 H CYS A 17 12.046 1.675 3.962 1.00 0.00 H new ATOM 0 HA CYS A 17 9.647 1.499 5.542 1.00 0.00 H new ATOM 0 HB2 CYS A 17 10.866 3.182 3.539 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.200 2.847 3.109 1.00 0.00 H new ATOM 0 HG CYS A 17 8.950 3.245 6.286 1.00 0.00 H new ATOM 242 N VAL A 18 9.663 -0.256 2.793 1.00 0.00 N ATOM 243 CA VAL A 18 9.073 -1.445 2.161 1.00 0.00 C ATOM 244 C VAL A 18 8.495 -2.419 3.186 1.00 0.00 C ATOM 245 O VAL A 18 7.294 -2.664 3.172 1.00 0.00 O ATOM 246 CB VAL A 18 10.149 -2.188 1.331 1.00 0.00 C ATOM 247 CG1 VAL A 18 9.700 -3.583 0.869 1.00 0.00 C ATOM 248 CG2 VAL A 18 10.671 -1.311 0.185 1.00 0.00 C ATOM 0 H VAL A 18 10.511 0.057 2.321 1.00 0.00 H new ATOM 0 HA VAL A 18 8.262 -1.096 1.522 1.00 0.00 H new ATOM 0 HB VAL A 18 10.991 -2.375 1.997 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.499 -4.050 0.293 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.472 -4.199 1.739 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.810 -3.491 0.247 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.425 -1.860 -0.379 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.845 -1.046 -0.475 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.114 -0.403 0.594 1.00 0.00 H new ATOM 258 N SER A 19 9.332 -2.899 4.111 1.00 0.00 N ATOM 259 CA SER A 19 8.942 -3.850 5.155 1.00 0.00 C ATOM 260 C SER A 19 7.763 -3.338 5.982 1.00 0.00 C ATOM 261 O SER A 19 6.815 -4.078 6.236 1.00 0.00 O ATOM 262 CB SER A 19 10.149 -4.043 6.086 1.00 0.00 C ATOM 263 OG SER A 19 9.974 -5.160 6.940 1.00 0.00 O ATOM 0 H SER A 19 10.316 -2.633 4.156 1.00 0.00 H new ATOM 0 HA SER A 19 8.637 -4.784 4.683 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.052 -4.178 5.490 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.294 -3.145 6.686 1.00 0.00 H new ATOM 0 HG SER A 19 10.760 -5.256 7.518 1.00 0.00 H new ATOM 269 N ASN A 20 7.777 -2.060 6.372 1.00 0.00 N ATOM 270 CA ASN A 20 6.668 -1.451 7.112 1.00 0.00 C ATOM 271 C ASN A 20 5.369 -1.428 6.309 1.00 0.00 C ATOM 272 O ASN A 20 4.301 -1.671 6.866 1.00 0.00 O ATOM 273 CB ASN A 20 6.989 0.001 7.432 1.00 0.00 C ATOM 274 CG ASN A 20 8.271 0.191 8.217 1.00 0.00 C ATOM 275 OD1 ASN A 20 8.986 1.255 7.920 1.00 0.00 O flip ATOM 276 ND2 ASN A 20 8.651 -0.595 9.069 1.00 0.00 N flip ATOM 0 H ASN A 20 8.551 -1.423 6.185 1.00 0.00 H new ATOM 0 HA ASN A 20 6.540 -2.057 8.009 1.00 0.00 H new ATOM 0 HB2 ASN A 20 7.060 0.561 6.499 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.162 0.429 7.998 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.089 -1.417 9.292 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.530 -0.430 9.559 1.00 0.00 H new ATOM 283 N ILE A 21 5.446 -1.086 5.018 1.00 0.00 N ATOM 284 CA ILE A 21 4.258 -0.959 4.161 1.00 0.00 C ATOM 285 C ILE A 21 3.661 -2.333 3.901 1.00 0.00 C ATOM 286 O ILE A 21 2.460 -2.499 4.068 1.00 0.00 O ATOM 287 CB ILE A 21 4.519 -0.228 2.822 1.00 0.00 C ATOM 288 CG1 ILE A 21 5.710 0.758 2.865 1.00 0.00 C ATOM 289 CG2 ILE A 21 3.182 0.399 2.392 1.00 0.00 C ATOM 290 CD1 ILE A 21 5.685 1.874 1.818 1.00 0.00 C ATOM 0 H ILE A 21 6.325 -0.891 4.539 1.00 0.00 H new ATOM 0 HA ILE A 21 3.553 -0.334 4.708 1.00 0.00 H new ATOM 0 HB ILE A 21 4.851 -0.937 2.063 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.745 1.214 3.854 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.633 0.190 2.743 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.315 0.928 1.448 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.436 -0.386 2.266 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.846 1.099 3.157 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.565 2.506 1.939 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.687 1.436 0.820 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.786 2.476 1.949 1.00 0.00 H new ATOM 302 N GLU A 22 4.509 -3.318 3.600 1.00 0.00 N ATOM 303 CA GLU A 22 4.132 -4.719 3.480 1.00 0.00 C ATOM 304 C GLU A 22 3.475 -5.200 4.779 1.00 0.00 C ATOM 305 O GLU A 22 2.354 -5.695 4.753 1.00 0.00 O ATOM 306 CB GLU A 22 5.375 -5.548 3.099 1.00 0.00 C ATOM 307 CG GLU A 22 5.824 -5.280 1.650 1.00 0.00 C ATOM 308 CD GLU A 22 6.413 -6.505 0.946 1.00 0.00 C ATOM 309 OE1 GLU A 22 7.173 -7.235 1.613 1.00 0.00 O ATOM 310 OE2 GLU A 22 6.091 -6.684 -0.255 1.00 0.00 O ATOM 0 H GLU A 22 5.501 -3.155 3.429 1.00 0.00 H new ATOM 0 HA GLU A 22 3.394 -4.848 2.688 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.192 -5.312 3.781 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.155 -6.609 3.220 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.970 -4.919 1.076 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.567 -4.482 1.652 1.00 0.00 H new ATOM 317 N SER A 23 4.099 -4.982 5.937 1.00 0.00 N ATOM 318 CA SER A 23 3.533 -5.422 7.215 1.00 0.00 C ATOM 319 C SER A 23 2.258 -4.699 7.664 1.00 0.00 C ATOM 320 O SER A 23 1.424 -5.325 8.322 1.00 0.00 O ATOM 321 CB SER A 23 4.584 -5.237 8.310 1.00 0.00 C ATOM 322 OG SER A 23 4.112 -5.715 9.562 1.00 0.00 O ATOM 0 H SER A 23 4.996 -4.504 6.018 1.00 0.00 H new ATOM 0 HA SER A 23 3.251 -6.463 7.055 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.496 -5.767 8.036 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.843 -4.182 8.395 1.00 0.00 H new ATOM 0 HG SER A 23 4.804 -5.586 10.244 1.00 0.00 H new ATOM 328 N THR A 24 2.132 -3.393 7.396 1.00 0.00 N ATOM 329 CA THR A 24 0.975 -2.583 7.811 1.00 0.00 C ATOM 330 C THR A 24 -0.219 -2.877 6.927 1.00 0.00 C ATOM 331 O THR A 24 -1.349 -2.936 7.406 1.00 0.00 O ATOM 332 CB THR A 24 1.318 -1.083 7.843 1.00 0.00 C ATOM 333 OG1 THR A 24 2.369 -0.928 8.760 1.00 0.00 O ATOM 334 CG2 THR A 24 0.165 -0.208 8.332 1.00 0.00 C ATOM 0 H THR A 24 2.835 -2.863 6.881 1.00 0.00 H new ATOM 0 HA THR A 24 0.709 -2.861 8.831 1.00 0.00 H new ATOM 0 HB THR A 24 1.562 -0.772 6.827 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.221 -1.128 8.318 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.475 0.837 8.330 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.693 -0.334 7.671 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.111 -0.502 9.345 1.00 0.00 H new ATOM 342 N LEU A 25 0.033 -3.084 5.636 1.00 0.00 N ATOM 343 CA LEU A 25 -0.992 -3.479 4.685 1.00 0.00 C ATOM 344 C LEU A 25 -1.383 -4.935 4.847 1.00 0.00 C ATOM 345 O LEU A 25 -2.571 -5.206 4.948 1.00 0.00 O ATOM 346 CB LEU A 25 -0.513 -3.206 3.262 1.00 0.00 C ATOM 347 CG LEU A 25 -0.531 -1.727 2.806 1.00 0.00 C ATOM 348 CD1 LEU A 25 -1.862 -1.433 2.104 1.00 0.00 C ATOM 349 CD2 LEU A 25 -0.320 -0.670 3.909 1.00 0.00 C ATOM 0 H LEU A 25 0.960 -2.981 5.223 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.883 -2.883 4.885 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.506 -3.582 3.166 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.132 -3.784 2.576 1.00 0.00 H new ATOM 0 HG LEU A 25 0.331 -1.633 2.145 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.881 -0.392 1.780 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.968 -2.085 1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.685 -1.613 2.795 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.353 0.327 3.469 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.107 -0.763 4.657 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.650 -0.826 4.382 1.00 0.00 H new ATOM 361 N SER A 26 -0.437 -5.874 4.887 1.00 0.00 N ATOM 362 CA SER A 26 -0.761 -7.314 4.827 1.00 0.00 C ATOM 363 C SER A 26 -1.356 -7.849 6.150 1.00 0.00 C ATOM 364 O SER A 26 -1.470 -9.053 6.364 1.00 0.00 O ATOM 365 CB SER A 26 0.486 -8.109 4.423 1.00 0.00 C ATOM 366 OG SER A 26 0.128 -9.344 3.822 1.00 0.00 O ATOM 0 H SER A 26 0.560 -5.672 4.960 1.00 0.00 H new ATOM 0 HA SER A 26 -1.535 -7.446 4.071 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.086 -7.522 3.728 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.105 -8.293 5.301 1.00 0.00 H new ATOM 0 HG SER A 26 -0.519 -9.810 4.392 1.00 0.00 H new ATOM 372 N ALA A 27 -1.745 -6.944 7.053 1.00 0.00 N ATOM 373 CA ALA A 27 -2.439 -7.238 8.304 1.00 0.00 C ATOM 374 C ALA A 27 -3.930 -6.861 8.237 1.00 0.00 C ATOM 375 O ALA A 27 -4.678 -7.125 9.181 1.00 0.00 O ATOM 376 CB ALA A 27 -1.720 -6.456 9.412 1.00 0.00 C ATOM 0 H ALA A 27 -1.577 -5.946 6.924 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.411 -8.309 8.504 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.208 -6.647 10.368 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.679 -6.775 9.466 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.762 -5.390 9.191 1.00 0.00 H new ATOM 382 N LEU A 28 -4.378 -6.200 7.160 1.00 0.00 N ATOM 383 CA LEU A 28 -5.706 -5.611 7.114 1.00 0.00 C ATOM 384 C LEU A 28 -6.742 -6.701 6.845 1.00 0.00 C ATOM 385 O LEU A 28 -6.663 -7.411 5.847 1.00 0.00 O ATOM 386 CB LEU A 28 -5.748 -4.503 6.051 1.00 0.00 C ATOM 387 CG LEU A 28 -4.743 -3.356 6.287 1.00 0.00 C ATOM 388 CD1 LEU A 28 -4.532 -2.536 5.012 1.00 0.00 C ATOM 389 CD2 LEU A 28 -5.215 -2.417 7.395 1.00 0.00 C ATOM 0 H LEU A 28 -3.830 -6.064 6.310 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.945 -5.155 8.075 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.553 -4.946 5.074 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.755 -4.087 6.017 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.803 -3.821 6.585 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.819 -1.735 5.208 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.144 -3.182 4.224 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.482 -2.106 4.694 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.483 -1.621 7.534 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.176 -1.982 7.119 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.324 -2.976 8.324 1.00 0.00 H new ATOM 401 N GLN A 29 -7.769 -6.804 7.684 1.00 0.00 N ATOM 402 CA GLN A 29 -8.767 -7.883 7.606 1.00 0.00 C ATOM 403 C GLN A 29 -9.547 -7.943 6.280 1.00 0.00 C ATOM 404 O GLN A 29 -10.215 -8.939 6.028 1.00 0.00 O ATOM 405 CB GLN A 29 -9.731 -7.747 8.790 1.00 0.00 C ATOM 406 CG GLN A 29 -9.037 -8.015 10.134 1.00 0.00 C ATOM 407 CD GLN A 29 -9.932 -7.605 11.292 1.00 0.00 C ATOM 408 OE1 GLN A 29 -9.847 -6.502 11.799 1.00 0.00 O ATOM 409 NE2 GLN A 29 -10.846 -8.443 11.735 1.00 0.00 N ATOM 0 H GLN A 29 -7.939 -6.143 8.442 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.217 -8.823 7.649 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -10.157 -6.744 8.796 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -10.559 -8.445 8.665 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.789 -9.073 10.216 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.098 -7.463 10.181 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -10.930 -9.371 11.321 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.470 -8.164 12.492 1.00 0.00 H new ATOM 418 N TYR A 30 -9.454 -6.918 5.425 1.00 0.00 N ATOM 419 CA TYR A 30 -9.963 -6.946 4.054 1.00 0.00 C ATOM 420 C TYR A 30 -8.936 -7.314 2.967 1.00 0.00 C ATOM 421 O TYR A 30 -9.366 -7.507 1.834 1.00 0.00 O ATOM 422 CB TYR A 30 -10.601 -5.587 3.717 1.00 0.00 C ATOM 423 CG TYR A 30 -9.829 -4.329 4.112 1.00 0.00 C ATOM 424 CD1 TYR A 30 -8.500 -4.111 3.693 1.00 0.00 C ATOM 425 CD2 TYR A 30 -10.465 -3.344 4.899 1.00 0.00 C ATOM 426 CE1 TYR A 30 -7.846 -2.911 4.009 1.00 0.00 C ATOM 427 CE2 TYR A 30 -9.797 -2.151 5.245 1.00 0.00 C ATOM 428 CZ TYR A 30 -8.481 -1.924 4.792 1.00 0.00 C ATOM 429 OH TYR A 30 -7.837 -0.768 5.111 1.00 0.00 O ATOM 0 H TYR A 30 -9.015 -6.032 5.673 1.00 0.00 H new ATOM 0 HA TYR A 30 -10.694 -7.754 4.039 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -10.772 -5.553 2.641 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -11.579 -5.546 4.197 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -7.984 -4.872 3.126 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -11.477 -3.506 5.241 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -6.843 -2.740 3.648 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.293 -1.412 5.856 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.426 -0.204 5.655 1.00 0.00 H new ATOM 439 N VAL A 31 -7.622 -7.338 3.218 1.00 0.00 N ATOM 440 CA VAL A 31 -6.621 -7.531 2.152 1.00 0.00 C ATOM 441 C VAL A 31 -6.312 -9.028 2.027 1.00 0.00 C ATOM 442 O VAL A 31 -6.264 -9.746 3.021 1.00 0.00 O ATOM 443 CB VAL A 31 -5.379 -6.617 2.302 1.00 0.00 C ATOM 444 CG1 VAL A 31 -4.424 -7.107 3.336 1.00 0.00 C ATOM 445 CG2 VAL A 31 -4.515 -6.476 1.041 1.00 0.00 C ATOM 0 H VAL A 31 -7.223 -7.226 4.150 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.039 -7.202 1.201 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.842 -5.665 2.561 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.574 -6.428 3.397 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.925 -7.149 4.303 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.074 -8.103 3.065 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.672 -5.817 1.249 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.144 -7.457 0.743 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.115 -6.054 0.234 1.00 0.00 H new ATOM 455 N SER A 32 -6.154 -9.500 0.798 1.00 0.00 N ATOM 456 CA SER A 32 -5.885 -10.902 0.454 1.00 0.00 C ATOM 457 C SER A 32 -4.382 -11.158 0.248 1.00 0.00 C ATOM 458 O SER A 32 -3.876 -12.245 0.521 1.00 0.00 O ATOM 459 CB SER A 32 -6.683 -11.206 -0.823 1.00 0.00 C ATOM 460 OG SER A 32 -6.588 -12.553 -1.230 1.00 0.00 O ATOM 0 H SER A 32 -6.211 -8.898 -0.024 1.00 0.00 H new ATOM 0 HA SER A 32 -6.190 -11.560 1.268 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.731 -10.956 -0.657 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.326 -10.564 -1.628 1.00 0.00 H new ATOM 0 HG SER A 32 -6.496 -12.595 -2.205 1.00 0.00 H new ATOM 466 N SER A 33 -3.632 -10.144 -0.196 1.00 0.00 N ATOM 467 CA SER A 33 -2.229 -10.235 -0.607 1.00 0.00 C ATOM 468 C SER A 33 -1.637 -8.863 -0.974 1.00 0.00 C ATOM 469 O SER A 33 -2.323 -7.845 -1.041 1.00 0.00 O ATOM 470 CB SER A 33 -2.091 -11.227 -1.776 1.00 0.00 C ATOM 471 OG SER A 33 -1.944 -12.543 -1.282 1.00 0.00 O ATOM 0 H SER A 33 -4.003 -9.198 -0.282 1.00 0.00 H new ATOM 0 HA SER A 33 -1.655 -10.602 0.244 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.969 -11.168 -2.419 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.229 -10.962 -2.388 1.00 0.00 H new ATOM 0 HG SER A 33 -2.403 -12.622 -0.420 1.00 0.00 H new ATOM 477 N ILE A 34 -0.342 -8.836 -1.251 1.00 0.00 N ATOM 478 CA ILE A 34 0.480 -7.640 -1.486 1.00 0.00 C ATOM 479 C ILE A 34 1.897 -8.037 -1.906 1.00 0.00 C ATOM 480 O ILE A 34 2.376 -9.097 -1.516 1.00 0.00 O ATOM 481 CB ILE A 34 0.488 -6.693 -0.250 1.00 0.00 C ATOM 482 CG1 ILE A 34 1.348 -5.425 -0.473 1.00 0.00 C ATOM 483 CG2 ILE A 34 0.943 -7.410 1.031 1.00 0.00 C ATOM 484 CD1 ILE A 34 1.155 -4.351 0.600 1.00 0.00 C ATOM 0 H ILE A 34 0.203 -9.695 -1.324 1.00 0.00 H new ATOM 0 HA ILE A 34 0.031 -7.079 -2.306 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.548 -6.380 -0.122 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.399 -5.711 -0.502 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.106 -5.000 -1.447 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.932 -6.708 1.865 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.267 -8.238 1.245 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.954 -7.794 0.894 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.790 -3.494 0.375 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.112 -4.035 0.615 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.425 -4.758 1.575 1.00 0.00 H new ATOM 496 N VAL A 35 2.527 -7.176 -2.704 1.00 0.00 N ATOM 497 CA VAL A 35 3.953 -7.166 -3.055 1.00 0.00 C ATOM 498 C VAL A 35 4.402 -5.715 -3.164 1.00 0.00 C ATOM 499 O VAL A 35 3.765 -4.925 -3.860 1.00 0.00 O ATOM 500 CB VAL A 35 4.240 -7.872 -4.401 1.00 0.00 C ATOM 501 CG1 VAL A 35 5.608 -7.528 -5.028 1.00 0.00 C ATOM 502 CG2 VAL A 35 4.215 -9.388 -4.180 1.00 0.00 C ATOM 0 H VAL A 35 2.023 -6.413 -3.155 1.00 0.00 H new ATOM 0 HA VAL A 35 4.495 -7.707 -2.279 1.00 0.00 H new ATOM 0 HB VAL A 35 3.468 -7.522 -5.087 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.723 -8.068 -5.968 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.663 -6.456 -5.216 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.405 -7.818 -4.343 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.416 -9.897 -5.123 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.977 -9.662 -3.450 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.234 -9.686 -3.809 1.00 0.00 H new ATOM 512 N VAL A 36 5.522 -5.386 -2.534 1.00 0.00 N ATOM 513 CA VAL A 36 6.212 -4.099 -2.699 1.00 0.00 C ATOM 514 C VAL A 36 7.493 -4.258 -3.511 1.00 0.00 C ATOM 515 O VAL A 36 8.225 -5.239 -3.372 1.00 0.00 O ATOM 516 CB VAL A 36 6.550 -3.473 -1.328 1.00 0.00 C ATOM 517 CG1 VAL A 36 7.549 -2.317 -1.378 1.00 0.00 C ATOM 518 CG2 VAL A 36 5.312 -2.856 -0.687 1.00 0.00 C ATOM 0 H VAL A 36 5.991 -6.013 -1.880 1.00 0.00 H new ATOM 0 HA VAL A 36 5.533 -3.437 -3.237 1.00 0.00 H new ATOM 0 HB VAL A 36 6.969 -4.312 -0.773 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.723 -1.943 -0.369 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.490 -2.667 -1.803 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.147 -1.515 -1.998 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.579 -2.423 0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.915 -2.077 -1.338 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.555 -3.627 -0.541 1.00 0.00 H new ATOM 528 N SER A 37 7.789 -3.254 -4.345 1.00 0.00 N ATOM 529 CA SER A 37 9.135 -3.173 -4.906 1.00 0.00 C ATOM 530 C SER A 37 10.062 -2.677 -3.798 1.00 0.00 C ATOM 531 O SER A 37 10.062 -1.511 -3.415 1.00 0.00 O ATOM 532 CB SER A 37 9.274 -2.199 -6.066 1.00 0.00 C ATOM 533 OG SER A 37 10.515 -2.362 -6.763 1.00 0.00 O ATOM 0 H SER A 37 7.145 -2.518 -4.634 1.00 0.00 H new ATOM 0 HA SER A 37 9.379 -4.166 -5.285 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.447 -2.344 -6.761 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.201 -1.178 -5.692 1.00 0.00 H new ATOM 0 HG SER A 37 11.088 -2.984 -6.269 1.00 0.00 H new ATOM 539 N LEU A 38 10.885 -3.587 -3.318 1.00 0.00 N ATOM 540 CA LEU A 38 12.003 -3.360 -2.417 1.00 0.00 C ATOM 541 C LEU A 38 12.923 -2.191 -2.823 1.00 0.00 C ATOM 542 O LEU A 38 13.641 -1.658 -1.982 1.00 0.00 O ATOM 543 CB LEU A 38 12.757 -4.702 -2.299 1.00 0.00 C ATOM 544 CG LEU A 38 12.494 -5.423 -0.963 1.00 0.00 C ATOM 545 CD1 LEU A 38 13.060 -6.845 -0.992 1.00 0.00 C ATOM 546 CD2 LEU A 38 13.126 -4.674 0.220 1.00 0.00 C ATOM 0 H LEU A 38 10.786 -4.572 -3.562 1.00 0.00 H new ATOM 0 HA LEU A 38 11.623 -3.039 -1.447 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.461 -5.353 -3.122 1.00 0.00 H new ATOM 0 HB3 LEU A 38 13.827 -4.522 -2.404 1.00 0.00 H new ATOM 0 HG LEU A 38 11.412 -5.453 -0.831 1.00 0.00 H new ATOM 0 HD11 LEU A 38 12.863 -7.335 -0.038 1.00 0.00 H new ATOM 0 HD12 LEU A 38 12.585 -7.409 -1.795 1.00 0.00 H new ATOM 0 HD13 LEU A 38 14.136 -6.805 -1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 38 12.919 -5.213 1.144 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.204 -4.606 0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 38 12.704 -3.671 0.283 1.00 0.00 H new ATOM 558 N GLU A 39 12.981 -1.851 -4.110 1.00 0.00 N ATOM 559 CA GLU A 39 13.837 -0.870 -4.758 1.00 0.00 C ATOM 560 C GLU A 39 13.103 0.383 -5.241 1.00 0.00 C ATOM 561 O GLU A 39 13.659 1.479 -5.196 1.00 0.00 O ATOM 562 CB GLU A 39 14.620 -1.505 -5.911 1.00 0.00 C ATOM 563 CG GLU A 39 14.049 -2.651 -6.745 1.00 0.00 C ATOM 564 CD GLU A 39 13.624 -3.843 -5.900 1.00 0.00 C ATOM 565 OE1 GLU A 39 14.483 -4.327 -5.121 1.00 0.00 O ATOM 566 OE2 GLU A 39 12.386 -4.042 -5.836 1.00 0.00 O ATOM 0 H GLU A 39 12.367 -2.303 -4.788 1.00 0.00 H new ATOM 0 HA GLU A 39 14.528 -0.534 -3.985 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.862 -0.701 -6.606 1.00 0.00 H new ATOM 0 HB3 GLU A 39 15.562 -1.860 -5.493 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.191 -2.289 -7.311 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.796 -2.974 -7.470 1.00 0.00 H new ATOM 573 N ASN A 40 11.869 0.223 -5.705 1.00 0.00 N ATOM 574 CA ASN A 40 11.004 1.353 -6.065 1.00 0.00 C ATOM 575 C ASN A 40 10.288 1.904 -4.818 1.00 0.00 C ATOM 576 O ASN A 40 10.574 1.491 -3.699 1.00 0.00 O ATOM 577 CB ASN A 40 10.099 1.013 -7.264 1.00 0.00 C ATOM 578 CG ASN A 40 10.980 0.951 -8.495 1.00 0.00 C ATOM 579 OD1 ASN A 40 11.110 1.915 -9.236 1.00 0.00 O ATOM 580 ND2 ASN A 40 11.692 -0.144 -8.661 1.00 0.00 N ATOM 0 H ASN A 40 11.436 -0.690 -5.844 1.00 0.00 H new ATOM 0 HA ASN A 40 11.611 2.182 -6.428 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.594 0.060 -7.105 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.323 1.769 -7.385 1.00 0.00 H new ATOM 0 HD21 ASN A 40 12.370 -0.201 -9.421 1.00 0.00 H new ATOM 0 HD22 ASN A 40 11.566 -0.935 -8.030 1.00 0.00 H new ATOM 587 N ARG A 41 9.380 2.879 -4.984 1.00 0.00 N ATOM 588 CA ARG A 41 8.561 3.405 -3.875 1.00 0.00 C ATOM 589 C ARG A 41 7.065 3.091 -3.996 1.00 0.00 C ATOM 590 O ARG A 41 6.208 3.924 -3.721 1.00 0.00 O ATOM 591 CB ARG A 41 8.907 4.864 -3.522 1.00 0.00 C ATOM 592 CG ARG A 41 8.502 5.997 -4.481 1.00 0.00 C ATOM 593 CD ARG A 41 9.401 6.182 -5.705 1.00 0.00 C ATOM 594 NE ARG A 41 9.311 7.580 -6.157 1.00 0.00 N ATOM 595 CZ ARG A 41 10.288 8.342 -6.620 1.00 0.00 C ATOM 596 NH1 ARG A 41 11.419 7.837 -7.070 1.00 0.00 N ATOM 597 NH2 ARG A 41 10.125 9.645 -6.612 1.00 0.00 N ATOM 0 H ARG A 41 9.192 3.323 -5.883 1.00 0.00 H new ATOM 0 HA ARG A 41 8.849 2.837 -2.990 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.456 5.080 -2.554 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.988 4.920 -3.390 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.485 5.811 -4.825 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.483 6.932 -3.922 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.432 5.932 -5.456 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.093 5.507 -6.504 1.00 0.00 H new ATOM 0 HE ARG A 41 8.388 8.011 -6.107 1.00 0.00 H new ATOM 0 HH11 ARG A 41 11.563 6.827 -7.069 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.150 8.456 -7.420 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.259 10.048 -6.254 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.864 10.254 -6.964 1.00 0.00 H new ATOM 611 N SER A 42 6.717 1.890 -4.450 1.00 0.00 N ATOM 612 CA SER A 42 5.341 1.515 -4.784 1.00 0.00 C ATOM 613 C SER A 42 4.996 0.077 -4.380 1.00 0.00 C ATOM 614 O SER A 42 5.863 -0.794 -4.295 1.00 0.00 O ATOM 615 CB SER A 42 5.083 1.697 -6.292 1.00 0.00 C ATOM 616 OG SER A 42 6.215 1.358 -7.085 1.00 0.00 O ATOM 0 H SER A 42 7.390 1.138 -4.599 1.00 0.00 H new ATOM 0 HA SER A 42 4.696 2.180 -4.209 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.237 1.078 -6.590 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.804 2.733 -6.487 1.00 0.00 H new ATOM 0 HG SER A 42 6.001 1.488 -8.033 1.00 0.00 H new ATOM 622 N ALA A 43 3.696 -0.155 -4.183 1.00 0.00 N ATOM 623 CA ALA A 43 3.094 -1.392 -3.695 1.00 0.00 C ATOM 624 C ALA A 43 1.954 -1.822 -4.622 1.00 0.00 C ATOM 625 O ALA A 43 1.131 -1.008 -5.044 1.00 0.00 O ATOM 626 CB ALA A 43 2.546 -1.121 -2.285 1.00 0.00 C ATOM 0 H ALA A 43 2.995 0.562 -4.372 1.00 0.00 H new ATOM 0 HA ALA A 43 3.835 -2.191 -3.671 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.088 -2.029 -1.892 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.362 -0.813 -1.631 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.799 -0.329 -2.331 1.00 0.00 H new ATOM 632 N ILE A 44 1.881 -3.114 -4.917 1.00 0.00 N ATOM 633 CA ILE A 44 0.768 -3.775 -5.601 1.00 0.00 C ATOM 634 C ILE A 44 0.040 -4.566 -4.518 1.00 0.00 C ATOM 635 O ILE A 44 0.628 -5.461 -3.911 1.00 0.00 O ATOM 636 CB ILE A 44 1.300 -4.652 -6.756 1.00 0.00 C ATOM 637 CG1 ILE A 44 2.040 -3.767 -7.794 1.00 0.00 C ATOM 638 CG2 ILE A 44 0.130 -5.408 -7.413 1.00 0.00 C ATOM 639 CD1 ILE A 44 2.793 -4.567 -8.864 1.00 0.00 C ATOM 0 H ILE A 44 2.630 -3.763 -4.676 1.00 0.00 H new ATOM 0 HA ILE A 44 0.077 -3.077 -6.073 1.00 0.00 H new ATOM 0 HB ILE A 44 2.008 -5.382 -6.364 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.316 -3.115 -8.283 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.747 -3.123 -7.271 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.508 -6.026 -8.228 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.356 -6.042 -6.671 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.591 -4.691 -7.806 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.285 -3.880 -9.553 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.541 -5.199 -8.386 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.089 -5.191 -9.415 1.00 0.00 H new ATOM 651 N VAL A 45 -1.199 -4.175 -4.238 1.00 0.00 N ATOM 652 CA VAL A 45 -1.977 -4.626 -3.077 1.00 0.00 C ATOM 653 C VAL A 45 -3.258 -5.293 -3.581 1.00 0.00 C ATOM 654 O VAL A 45 -3.954 -4.719 -4.415 1.00 0.00 O ATOM 655 CB VAL A 45 -2.330 -3.434 -2.168 1.00 0.00 C ATOM 656 CG1 VAL A 45 -2.913 -3.940 -0.841 1.00 0.00 C ATOM 657 CG2 VAL A 45 -1.135 -2.510 -1.865 1.00 0.00 C ATOM 0 H VAL A 45 -1.709 -3.516 -4.826 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.387 -5.334 -2.495 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.062 -2.844 -2.719 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.160 -3.090 -0.204 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.815 -4.520 -1.037 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.179 -4.569 -0.338 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.460 -1.694 -1.220 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.353 -3.080 -1.363 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.745 -2.102 -2.797 1.00 0.00 H new ATOM 667 N VAL A 46 -3.552 -6.489 -3.076 1.00 0.00 N ATOM 668 CA VAL A 46 -4.597 -7.407 -3.554 1.00 0.00 C ATOM 669 C VAL A 46 -5.607 -7.588 -2.413 1.00 0.00 C ATOM 670 O VAL A 46 -5.221 -8.068 -1.358 1.00 0.00 O ATOM 671 CB VAL A 46 -3.935 -8.764 -3.902 1.00 0.00 C ATOM 672 CG1 VAL A 46 -4.898 -9.814 -4.463 1.00 0.00 C ATOM 673 CG2 VAL A 46 -2.707 -8.634 -4.828 1.00 0.00 C ATOM 0 H VAL A 46 -3.043 -6.870 -2.278 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.100 -7.019 -4.440 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.594 -9.123 -2.931 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.351 -10.732 -4.679 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.678 -10.021 -3.730 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.352 -9.438 -5.380 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.296 -9.623 -5.028 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.007 -8.169 -5.767 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.950 -8.018 -4.343 1.00 0.00 H new ATOM 683 N TYR A 47 -6.879 -7.203 -2.562 1.00 0.00 N ATOM 684 CA TYR A 47 -7.849 -7.109 -1.449 1.00 0.00 C ATOM 685 C TYR A 47 -9.252 -7.623 -1.821 1.00 0.00 C ATOM 686 O TYR A 47 -9.649 -7.592 -2.981 1.00 0.00 O ATOM 687 CB TYR A 47 -7.911 -5.658 -0.951 1.00 0.00 C ATOM 688 CG TYR A 47 -8.571 -4.709 -1.941 1.00 0.00 C ATOM 689 CD1 TYR A 47 -7.872 -4.309 -3.097 1.00 0.00 C ATOM 690 CD2 TYR A 47 -9.906 -4.293 -1.759 1.00 0.00 C ATOM 691 CE1 TYR A 47 -8.490 -3.502 -4.065 1.00 0.00 C ATOM 692 CE2 TYR A 47 -10.536 -3.487 -2.730 1.00 0.00 C ATOM 693 CZ TYR A 47 -9.826 -3.089 -3.884 1.00 0.00 C ATOM 694 OH TYR A 47 -10.431 -2.342 -4.846 1.00 0.00 O ATOM 0 H TYR A 47 -7.275 -6.944 -3.466 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.496 -7.762 -0.651 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.459 -5.628 -0.009 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.900 -5.309 -0.743 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.850 -4.627 -3.240 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.447 -4.592 -0.874 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.944 -3.198 -4.946 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.560 -3.175 -2.591 1.00 0.00 H new ATOM 0 HH TYR A 47 -11.350 -2.139 -4.573 1.00 0.00 H new ATOM 704 N ASN A 48 -10.054 -8.062 -0.851 1.00 0.00 N ATOM 705 CA ASN A 48 -11.286 -8.809 -1.119 1.00 0.00 C ATOM 706 C ASN A 48 -12.560 -7.944 -1.059 1.00 0.00 C ATOM 707 O ASN A 48 -12.924 -7.455 0.013 1.00 0.00 O ATOM 708 CB ASN A 48 -11.320 -9.982 -0.129 1.00 0.00 C ATOM 709 CG ASN A 48 -12.578 -10.827 -0.277 1.00 0.00 C ATOM 710 OD1 ASN A 48 -12.613 -11.802 -1.004 1.00 0.00 O ATOM 711 ND2 ASN A 48 -13.661 -10.453 0.378 1.00 0.00 N ATOM 0 H ASN A 48 -9.870 -7.911 0.141 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.276 -9.173 -2.146 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.443 -10.610 -0.283 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.261 -9.597 0.889 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -14.527 -10.981 0.275 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -13.632 -9.636 0.987 1.00 0.00 H new ATOM 780 N PRO A 54 -10.363 1.240 -3.490 1.00 0.00 N ATOM 781 CA PRO A 54 -8.937 1.339 -3.152 1.00 0.00 C ATOM 782 C PRO A 54 -8.599 2.386 -2.071 1.00 0.00 C ATOM 783 O PRO A 54 -7.467 2.404 -1.586 1.00 0.00 O ATOM 784 CB PRO A 54 -8.258 1.693 -4.479 1.00 0.00 C ATOM 785 CG PRO A 54 -9.306 2.557 -5.177 1.00 0.00 C ATOM 786 CD PRO A 54 -10.604 1.854 -4.791 1.00 0.00 C ATOM 0 HA PRO A 54 -8.594 0.402 -2.712 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -7.325 2.235 -4.324 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -8.016 0.803 -5.060 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.282 3.589 -4.828 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.161 2.582 -6.257 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.430 2.563 -4.740 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.875 1.102 -5.532 1.00 0.00 H new ATOM 794 N GLU A 55 -9.538 3.263 -1.691 1.00 0.00 N ATOM 795 CA GLU A 55 -9.321 4.332 -0.698 1.00 0.00 C ATOM 796 C GLU A 55 -8.815 3.804 0.657 1.00 0.00 C ATOM 797 O GLU A 55 -7.984 4.445 1.292 1.00 0.00 O ATOM 798 CB GLU A 55 -10.633 5.122 -0.507 1.00 0.00 C ATOM 799 CG GLU A 55 -10.635 6.480 -1.224 1.00 0.00 C ATOM 800 CD GLU A 55 -9.978 7.564 -0.371 1.00 0.00 C ATOM 801 OE1 GLU A 55 -10.599 8.010 0.616 1.00 0.00 O ATOM 802 OE2 GLU A 55 -8.822 7.963 -0.645 1.00 0.00 O ATOM 0 H GLU A 55 -10.485 3.252 -2.069 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.537 4.983 -1.085 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -11.466 4.523 -0.875 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.801 5.281 0.558 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.107 6.392 -2.173 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.660 6.769 -1.455 1.00 0.00 H new ATOM 809 N SER A 56 -9.270 2.630 1.098 1.00 0.00 N ATOM 810 CA SER A 56 -8.876 2.033 2.382 1.00 0.00 C ATOM 811 C SER A 56 -7.414 1.564 2.409 1.00 0.00 C ATOM 812 O SER A 56 -6.704 1.783 3.395 1.00 0.00 O ATOM 813 CB SER A 56 -9.807 0.855 2.689 1.00 0.00 C ATOM 814 OG SER A 56 -9.761 -0.125 1.664 1.00 0.00 O ATOM 0 H SER A 56 -9.930 2.058 0.570 1.00 0.00 H new ATOM 0 HA SER A 56 -8.965 2.808 3.143 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.522 0.403 3.639 1.00 0.00 H new ATOM 0 HB3 SER A 56 -10.829 1.217 2.802 1.00 0.00 H new ATOM 0 HG SER A 56 -10.364 -0.864 1.890 1.00 0.00 H new ATOM 820 N LEU A 57 -6.944 0.944 1.320 1.00 0.00 N ATOM 821 CA LEU A 57 -5.542 0.547 1.183 1.00 0.00 C ATOM 822 C LEU A 57 -4.628 1.775 1.148 1.00 0.00 C ATOM 823 O LEU A 57 -3.677 1.820 1.921 1.00 0.00 O ATOM 824 CB LEU A 57 -5.323 -0.297 -0.076 1.00 0.00 C ATOM 825 CG LEU A 57 -6.214 -1.537 -0.290 1.00 0.00 C ATOM 826 CD1 LEU A 57 -5.740 -2.267 -1.554 1.00 0.00 C ATOM 827 CD2 LEU A 57 -6.208 -2.492 0.908 1.00 0.00 C ATOM 0 H LEU A 57 -7.523 0.706 0.515 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.289 -0.058 2.054 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.449 0.356 -0.940 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.285 -0.630 -0.077 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.243 -1.196 -0.402 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.361 -3.148 -1.720 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.821 -1.599 -2.412 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.701 -2.573 -1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.853 -3.345 0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.192 -2.842 1.089 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.575 -1.970 1.792 1.00 0.00 H new ATOM 839 N ARG A 58 -4.937 2.785 0.319 1.00 0.00 N ATOM 840 CA ARG A 58 -4.246 4.078 0.279 1.00 0.00 C ATOM 841 C ARG A 58 -4.075 4.636 1.698 1.00 0.00 C ATOM 842 O ARG A 58 -2.950 4.854 2.147 1.00 0.00 O ATOM 843 CB ARG A 58 -5.076 5.011 -0.618 1.00 0.00 C ATOM 844 CG ARG A 58 -4.667 6.491 -0.579 1.00 0.00 C ATOM 845 CD ARG A 58 -5.886 7.418 -0.453 1.00 0.00 C ATOM 846 NE ARG A 58 -5.498 8.704 0.143 1.00 0.00 N ATOM 847 CZ ARG A 58 -6.023 9.900 -0.042 1.00 0.00 C ATOM 848 NH1 ARG A 58 -7.118 10.090 -0.752 1.00 0.00 N ATOM 849 NH2 ARG A 58 -5.443 10.915 0.552 1.00 0.00 N ATOM 0 H ARG A 58 -5.696 2.720 -0.360 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.242 3.979 -0.133 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.004 4.658 -1.647 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.123 4.932 -0.326 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.994 6.660 0.262 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.114 6.739 -1.485 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.326 7.585 -1.436 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.650 6.942 0.162 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.712 8.667 0.791 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.591 9.295 -1.182 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.492 11.032 -0.871 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.617 10.763 1.131 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.818 11.856 0.435 1.00 0.00 H new ATOM 863 N LYS A 59 -5.185 4.794 2.424 1.00 0.00 N ATOM 864 CA LYS A 59 -5.187 5.221 3.824 1.00 0.00 C ATOM 865 C LYS A 59 -4.254 4.391 4.730 1.00 0.00 C ATOM 866 O LYS A 59 -3.556 4.966 5.560 1.00 0.00 O ATOM 867 CB LYS A 59 -6.629 5.188 4.355 1.00 0.00 C ATOM 868 CG LYS A 59 -7.216 6.600 4.453 1.00 0.00 C ATOM 869 CD LYS A 59 -7.412 7.239 3.077 1.00 0.00 C ATOM 870 CE LYS A 59 -7.927 8.673 3.217 1.00 0.00 C ATOM 871 NZ LYS A 59 -8.627 9.123 1.992 1.00 0.00 N ATOM 0 H LYS A 59 -6.119 4.627 2.050 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.791 6.236 3.852 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.248 4.579 3.696 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.647 4.715 5.337 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.173 6.559 4.973 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.555 7.226 5.052 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.468 7.238 2.532 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -8.118 6.649 2.493 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.605 8.735 4.068 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.092 9.341 3.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.662 10.162 1.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.116 8.780 1.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.595 8.743 1.986 1.00 0.00 H new ATOM 885 N ALA A 60 -4.211 3.064 4.577 1.00 0.00 N ATOM 886 CA ALA A 60 -3.358 2.184 5.379 1.00 0.00 C ATOM 887 C ALA A 60 -1.859 2.375 5.090 1.00 0.00 C ATOM 888 O ALA A 60 -1.029 2.205 5.978 1.00 0.00 O ATOM 889 CB ALA A 60 -3.808 0.748 5.124 1.00 0.00 C ATOM 0 H ALA A 60 -4.773 2.567 3.886 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.471 2.436 6.433 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.192 0.064 5.708 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.852 0.636 5.418 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.703 0.516 4.064 1.00 0.00 H new ATOM 895 N ILE A 61 -1.518 2.787 3.863 1.00 0.00 N ATOM 896 CA ILE A 61 -0.172 3.233 3.494 1.00 0.00 C ATOM 897 C ILE A 61 0.125 4.574 4.160 1.00 0.00 C ATOM 898 O ILE A 61 1.064 4.654 4.949 1.00 0.00 O ATOM 899 CB ILE A 61 0.009 3.294 1.955 1.00 0.00 C ATOM 900 CG1 ILE A 61 -0.344 1.976 1.246 1.00 0.00 C ATOM 901 CG2 ILE A 61 1.449 3.681 1.609 1.00 0.00 C ATOM 902 CD1 ILE A 61 -0.295 2.045 -0.282 1.00 0.00 C ATOM 0 H ILE A 61 -2.180 2.820 3.088 1.00 0.00 H new ATOM 0 HA ILE A 61 0.551 2.502 3.856 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.689 4.050 1.596 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.343 1.201 1.584 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.345 1.670 1.551 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.565 3.721 0.526 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.675 4.659 2.034 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.134 2.939 2.020 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.557 1.073 -0.699 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.003 2.794 -0.635 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.711 2.317 -0.602 1.00 0.00 H new ATOM 914 N GLU A 62 -0.711 5.593 3.934 1.00 0.00 N ATOM 915 CA GLU A 62 -0.575 6.910 4.560 1.00 0.00 C ATOM 916 C GLU A 62 -0.420 6.804 6.085 1.00 0.00 C ATOM 917 O GLU A 62 0.301 7.601 6.672 1.00 0.00 O ATOM 918 CB GLU A 62 -1.792 7.800 4.237 1.00 0.00 C ATOM 919 CG GLU A 62 -1.949 8.177 2.759 1.00 0.00 C ATOM 920 CD GLU A 62 -3.231 8.955 2.440 1.00 0.00 C ATOM 921 OE1 GLU A 62 -4.333 8.393 2.623 1.00 0.00 O ATOM 922 OE2 GLU A 62 -3.161 10.063 1.864 1.00 0.00 O ATOM 0 H GLU A 62 -1.510 5.524 3.304 1.00 0.00 H new ATOM 0 HA GLU A 62 0.328 7.362 4.149 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.696 7.285 4.562 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.719 8.716 4.824 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.090 8.775 2.455 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.932 7.267 2.160 1.00 0.00 H new ATOM 929 N ALA A 63 -1.024 5.800 6.730 1.00 0.00 N ATOM 930 CA ALA A 63 -1.056 5.644 8.188 1.00 0.00 C ATOM 931 C ALA A 63 0.191 4.969 8.785 1.00 0.00 C ATOM 932 O ALA A 63 0.240 4.754 9.994 1.00 0.00 O ATOM 933 CB ALA A 63 -2.344 4.896 8.564 1.00 0.00 C ATOM 0 H ALA A 63 -1.517 5.054 6.239 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.049 6.641 8.628 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.388 4.769 9.646 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.209 5.470 8.230 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.350 3.918 8.083 1.00 0.00 H new ATOM 939 N VAL A 64 1.197 4.674 7.958 1.00 0.00 N ATOM 940 CA VAL A 64 2.469 4.066 8.379 1.00 0.00 C ATOM 941 C VAL A 64 3.554 5.125 8.564 1.00 0.00 C ATOM 942 O VAL A 64 4.428 4.989 9.414 1.00 0.00 O ATOM 943 CB VAL A 64 2.922 2.946 7.417 1.00 0.00 C ATOM 944 CG1 VAL A 64 3.769 3.369 6.236 1.00 0.00 C ATOM 945 CG2 VAL A 64 3.758 1.922 8.193 1.00 0.00 C ATOM 0 H VAL A 64 1.152 4.854 6.955 1.00 0.00 H new ATOM 0 HA VAL A 64 2.298 3.597 9.348 1.00 0.00 H new ATOM 0 HB VAL A 64 1.986 2.558 7.015 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.022 2.494 5.638 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.212 4.078 5.624 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.684 3.840 6.595 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.080 1.129 7.518 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.633 2.414 8.619 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.156 1.494 8.995 1.00 0.00 H new ATOM 955 N SER A 65 3.498 6.212 7.789 1.00 0.00 N ATOM 956 CA SER A 65 4.307 7.405 8.030 1.00 0.00 C ATOM 957 C SER A 65 3.552 8.686 7.600 1.00 0.00 C ATOM 958 O SER A 65 3.939 9.354 6.637 1.00 0.00 O ATOM 959 CB SER A 65 5.728 7.263 7.464 1.00 0.00 C ATOM 960 OG SER A 65 6.184 5.925 7.324 1.00 0.00 O ATOM 0 H SER A 65 2.888 6.287 6.975 1.00 0.00 H new ATOM 0 HA SER A 65 4.461 7.512 9.104 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.765 7.748 6.489 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.418 7.801 8.114 1.00 0.00 H new ATOM 0 HG SER A 65 6.273 5.708 6.373 1.00 0.00 H new ATOM 966 N PRO A 66 2.441 9.014 8.290 1.00 0.00 N ATOM 967 CA PRO A 66 1.577 10.140 7.956 1.00 0.00 C ATOM 968 C PRO A 66 2.318 11.475 8.028 1.00 0.00 C ATOM 969 O PRO A 66 3.168 11.685 8.890 1.00 0.00 O ATOM 970 CB PRO A 66 0.385 10.073 8.921 1.00 0.00 C ATOM 971 CG PRO A 66 0.877 9.185 10.065 1.00 0.00 C ATOM 972 CD PRO A 66 1.830 8.232 9.355 1.00 0.00 C ATOM 0 HA PRO A 66 1.234 10.074 6.924 1.00 0.00 H new ATOM 0 HB2 PRO A 66 0.106 11.064 9.278 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.495 9.649 8.438 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.382 9.763 10.839 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.057 8.654 10.548 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.584 7.847 10.042 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.296 7.371 8.953 1.00 0.00 H new ATOM 980 N GLY A 67 1.995 12.371 7.087 1.00 0.00 N ATOM 981 CA GLY A 67 2.668 13.662 6.894 1.00 0.00 C ATOM 982 C GLY A 67 3.916 13.573 6.009 1.00 0.00 C ATOM 983 O GLY A 67 4.233 14.539 5.323 1.00 0.00 O ATOM 0 H GLY A 67 1.238 12.214 6.421 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.965 14.366 6.448 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.950 14.065 7.867 1.00 0.00 H new ATOM 987 N LEU A 68 4.589 12.418 5.995 1.00 0.00 N ATOM 988 CA LEU A 68 5.728 12.113 5.120 1.00 0.00 C ATOM 989 C LEU A 68 5.276 11.438 3.817 1.00 0.00 C ATOM 990 O LEU A 68 5.737 11.771 2.730 1.00 0.00 O ATOM 991 CB LEU A 68 6.690 11.230 5.934 1.00 0.00 C ATOM 992 CG LEU A 68 7.888 10.680 5.147 1.00 0.00 C ATOM 993 CD1 LEU A 68 8.759 11.796 4.568 1.00 0.00 C ATOM 994 CD2 LEU A 68 8.722 9.825 6.096 1.00 0.00 C ATOM 0 H LEU A 68 4.349 11.643 6.613 1.00 0.00 H new ATOM 0 HA LEU A 68 6.233 13.027 4.807 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.064 11.809 6.779 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.129 10.391 6.346 1.00 0.00 H new ATOM 0 HG LEU A 68 7.515 10.094 4.307 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.594 11.359 4.020 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.163 12.409 3.892 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.142 12.416 5.378 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.582 9.421 5.561 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.068 10.437 6.929 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.113 9.005 6.477 1.00 0.00 H new ATOM 1006 N TYR A 69 4.364 10.472 3.921 1.00 0.00 N ATOM 1007 CA TYR A 69 3.972 9.595 2.822 1.00 0.00 C ATOM 1008 C TYR A 69 3.111 10.288 1.745 1.00 0.00 C ATOM 1009 O TYR A 69 1.882 10.358 1.865 1.00 0.00 O ATOM 1010 CB TYR A 69 3.258 8.361 3.414 1.00 0.00 C ATOM 1011 CG TYR A 69 4.142 7.163 3.727 1.00 0.00 C ATOM 1012 CD1 TYR A 69 5.508 7.276 4.073 1.00 0.00 C ATOM 1013 CD2 TYR A 69 3.592 5.882 3.562 1.00 0.00 C ATOM 1014 CE1 TYR A 69 6.285 6.117 4.279 1.00 0.00 C ATOM 1015 CE2 TYR A 69 4.387 4.734 3.629 1.00 0.00 C ATOM 1016 CZ TYR A 69 5.727 4.844 4.037 1.00 0.00 C ATOM 1017 OH TYR A 69 6.438 3.711 4.249 1.00 0.00 O ATOM 0 H TYR A 69 3.868 10.274 4.790 1.00 0.00 H new ATOM 0 HA TYR A 69 4.877 9.294 2.294 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.753 8.664 4.331 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.485 8.043 2.714 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.958 8.252 4.180 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.532 5.781 3.379 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.306 6.204 4.621 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.974 3.770 3.369 1.00 0.00 H new ATOM 0 HH TYR A 69 7.254 3.925 4.748 1.00 0.00 H new ATOM 1027 N ARG A 70 3.706 10.701 0.616 1.00 0.00 N ATOM 1028 CA ARG A 70 2.955 11.131 -0.578 1.00 0.00 C ATOM 1029 C ARG A 70 2.294 9.906 -1.232 1.00 0.00 C ATOM 1030 O ARG A 70 2.777 9.429 -2.252 1.00 0.00 O ATOM 1031 CB ARG A 70 3.891 11.836 -1.584 1.00 0.00 C ATOM 1032 CG ARG A 70 3.270 12.629 -2.748 1.00 0.00 C ATOM 1033 CD ARG A 70 1.923 12.106 -3.275 1.00 0.00 C ATOM 1034 NE ARG A 70 1.271 12.993 -4.246 1.00 0.00 N ATOM 1035 CZ ARG A 70 0.250 13.799 -3.987 1.00 0.00 C ATOM 1036 NH1 ARG A 70 -0.068 14.167 -2.760 1.00 0.00 N ATOM 1037 NH2 ARG A 70 -0.483 14.242 -4.985 1.00 0.00 N ATOM 0 H ARG A 70 4.719 10.747 0.503 1.00 0.00 H new ATOM 0 HA ARG A 70 2.184 11.841 -0.278 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.525 12.520 -1.020 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.544 11.077 -2.014 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.136 13.662 -2.427 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.981 12.641 -3.574 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.080 11.132 -3.738 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.250 11.953 -2.431 1.00 0.00 H new ATOM 0 HE ARG A 70 1.633 12.989 -5.199 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.480 13.830 -1.968 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -0.861 14.789 -2.603 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.263 13.965 -5.942 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.272 14.863 -4.802 1.00 0.00 H new ATOM 1051 N VAL A 71 1.183 9.415 -0.692 1.00 0.00 N ATOM 1052 CA VAL A 71 0.435 8.307 -1.321 1.00 0.00 C ATOM 1053 C VAL A 71 -0.438 8.796 -2.460 1.00 0.00 C ATOM 1054 O VAL A 71 -1.118 9.818 -2.379 1.00 0.00 O ATOM 1055 CB VAL A 71 -0.368 7.431 -0.343 1.00 0.00 C ATOM 1056 CG1 VAL A 71 -0.925 6.155 -1.004 1.00 0.00 C ATOM 1057 CG2 VAL A 71 0.542 7.015 0.816 1.00 0.00 C ATOM 0 H VAL A 71 0.773 9.759 0.177 1.00 0.00 H new ATOM 0 HA VAL A 71 1.206 7.651 -1.725 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.214 8.026 0.002 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.482 5.577 -0.267 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.587 6.430 -1.825 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.100 5.555 -1.388 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.019 6.394 1.514 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.390 6.450 0.428 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.904 7.904 1.332 1.00 0.00 H new ATOM 1067 N SER A 72 -0.388 8.048 -3.554 1.00 0.00 N ATOM 1068 CA SER A 72 -1.227 8.201 -4.732 1.00 0.00 C ATOM 1069 C SER A 72 -1.434 6.857 -5.446 1.00 0.00 C ATOM 1070 O SER A 72 -0.643 5.937 -5.272 1.00 0.00 O ATOM 1071 CB SER A 72 -0.549 9.213 -5.648 1.00 0.00 C ATOM 1072 OG SER A 72 -0.553 10.502 -5.050 1.00 0.00 O ATOM 0 H SER A 72 0.274 7.278 -3.647 1.00 0.00 H new ATOM 0 HA SER A 72 -2.218 8.554 -4.446 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.476 8.902 -5.849 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.066 9.248 -6.607 1.00 0.00 H new ATOM 0 HG SER A 72 -0.883 10.435 -4.130 1.00 0.00 H new ATOM 1078 N ILE A 73 -2.497 6.738 -6.243 1.00 0.00 N ATOM 1079 CA ILE A 73 -2.865 5.539 -7.022 1.00 0.00 C ATOM 1080 C ILE A 73 -2.402 5.709 -8.468 1.00 0.00 C ATOM 1081 O ILE A 73 -2.732 6.704 -9.119 1.00 0.00 O ATOM 1082 CB ILE A 73 -4.399 5.300 -6.967 1.00 0.00 C ATOM 1083 CG1 ILE A 73 -4.923 5.223 -5.513 1.00 0.00 C ATOM 1084 CG2 ILE A 73 -4.791 4.015 -7.723 1.00 0.00 C ATOM 1085 CD1 ILE A 73 -6.444 5.074 -5.374 1.00 0.00 C ATOM 0 H ILE A 73 -3.158 7.504 -6.374 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.373 4.669 -6.588 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.863 6.158 -7.454 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.444 4.380 -5.015 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.612 6.124 -4.984 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.870 3.875 -7.667 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.490 4.101 -8.767 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.290 3.159 -7.270 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.710 5.029 -4.318 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.937 5.929 -5.836 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.767 4.158 -5.869 1.00 0.00 H new ATOM 1097 N THR A 74 -1.638 4.733 -8.961 1.00 0.00 N ATOM 1098 CA THR A 74 -0.991 4.776 -10.270 1.00 0.00 C ATOM 1099 C THR A 74 -1.920 4.263 -11.374 1.00 0.00 C ATOM 1100 O THR A 74 -1.721 3.171 -11.897 1.00 0.00 O ATOM 1101 CB THR A 74 0.344 4.012 -10.212 1.00 0.00 C ATOM 1102 OG1 THR A 74 0.869 3.943 -8.904 1.00 0.00 O ATOM 1103 CG2 THR A 74 1.382 4.755 -11.041 1.00 0.00 C ATOM 0 H THR A 74 -1.449 3.872 -8.448 1.00 0.00 H new ATOM 0 HA THR A 74 -0.772 5.812 -10.526 1.00 0.00 H new ATOM 0 HB THR A 74 0.143 3.007 -10.582 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.715 3.448 -8.917 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.330 4.218 -11.003 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.043 4.821 -12.075 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.518 5.759 -10.639 1.00 0.00 H new