USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=25 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= -2.92 X(o=-2.6,f=-2.6) USER MOD Set 1.2: A 17 CYS SG : rot -50:sc= -1.08 USER MOD Set 1.3: A 20 ASN : amide:sc= -1.08 K(o=-2.6,f=-1.5) USER MOD Set 1.4: A 65 SER OG : rot 115:sc= 1.34 USER MOD Set 1.5: A 69 TYR OH : rot 1:sc= 1.15 USER MOD Set 2.1: A 37 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 40 ASN : amide:sc= -0.956 K(o=-0.96,f=-1.7) USER MOD Set 3.1: A 3 SER OG : rot -139:sc= 0.72 USER MOD Set 3.2: A 47 TYR OH : rot 180:sc= 0.0817 USER MOD Single : A 4 THR OG1 : rot 31:sc= 0.704 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -135:sc= -0.361 (180deg=-6.07!) USER MOD Single : A 14 CYS SG : rot 180:sc= -0.0667 USER MOD Single : A 15 LYS NZ :NH3+ 146:sc= 0.644 (180deg=-1.14) 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 84:sc= 1.24 USER MOD Single : A 24 THR OG1 : rot 86:sc= 0.026 USER MOD Single : A 26 SER OG : rot -44:sc= 0.841 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -179:sc= 1.24 USER MOD Single : A 33 SER OG : rot 48:sc= 1.2 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0.929 K(o=0.93,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -141:sc= 1.02 (180deg=-0.157) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N ASP A 2 -10.962 -11.779 -5.989 1.00 0.00 N ATOM 16 CA ASP A 2 -10.166 -10.762 -5.316 1.00 0.00 C ATOM 17 C ASP A 2 -9.849 -9.578 -6.246 1.00 0.00 C ATOM 18 O ASP A 2 -9.672 -9.720 -7.455 1.00 0.00 O ATOM 19 CB ASP A 2 -8.878 -11.392 -4.762 1.00 0.00 C ATOM 20 CG ASP A 2 -9.129 -12.571 -3.810 1.00 0.00 C ATOM 21 OD1 ASP A 2 -9.383 -12.288 -2.614 1.00 0.00 O ATOM 22 OD2 ASP A 2 -9.071 -13.743 -4.251 1.00 0.00 O ATOM 0 HA ASP A 2 -10.750 -10.364 -4.486 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -8.263 -11.733 -5.595 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -8.306 -10.627 -4.236 1.00 0.00 H new ATOM 27 N SER A 3 -9.773 -8.388 -5.659 1.00 0.00 N ATOM 28 CA SER A 3 -9.426 -7.129 -6.315 1.00 0.00 C ATOM 29 C SER A 3 -7.927 -6.804 -6.170 1.00 0.00 C ATOM 30 O SER A 3 -7.170 -7.505 -5.493 1.00 0.00 O ATOM 31 CB SER A 3 -10.302 -6.015 -5.715 1.00 0.00 C ATOM 32 OG SER A 3 -10.124 -4.757 -6.354 1.00 0.00 O ATOM 0 H SER A 3 -9.961 -8.268 -4.664 1.00 0.00 H new ATOM 0 HA SER A 3 -9.617 -7.213 -7.385 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.350 -6.307 -5.787 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.072 -5.912 -4.654 1.00 0.00 H new ATOM 0 HG SER A 3 -10.111 -4.046 -5.679 1.00 0.00 H new ATOM 38 N THR A 4 -7.485 -5.708 -6.793 1.00 0.00 N ATOM 39 CA THR A 4 -6.096 -5.232 -6.790 1.00 0.00 C ATOM 40 C THR A 4 -6.025 -3.761 -7.171 1.00 0.00 C ATOM 41 O THR A 4 -6.700 -3.291 -8.085 1.00 0.00 O ATOM 42 CB THR A 4 -5.218 -6.099 -7.702 1.00 0.00 C ATOM 43 OG1 THR A 4 -4.956 -7.295 -7.028 1.00 0.00 O ATOM 44 CG2 THR A 4 -3.841 -5.515 -8.035 1.00 0.00 C ATOM 0 H THR A 4 -8.106 -5.105 -7.333 1.00 0.00 H new ATOM 0 HA THR A 4 -5.705 -5.325 -5.777 1.00 0.00 H new ATOM 0 HB THR A 4 -5.775 -6.197 -8.634 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.712 -7.513 -6.443 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.301 -6.204 -8.684 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.965 -4.559 -8.544 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.277 -5.366 -7.114 1.00 0.00 H new ATOM 52 N ALA A 5 -5.144 -3.041 -6.488 1.00 0.00 N ATOM 53 CA ALA A 5 -4.751 -1.678 -6.810 1.00 0.00 C ATOM 54 C ALA A 5 -3.246 -1.495 -6.562 1.00 0.00 C ATOM 55 O ALA A 5 -2.617 -2.274 -5.831 1.00 0.00 O ATOM 56 CB ALA A 5 -5.613 -0.715 -5.989 1.00 0.00 C ATOM 0 H ALA A 5 -4.666 -3.406 -5.664 1.00 0.00 H new ATOM 0 HA ALA A 5 -4.919 -1.461 -7.865 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.331 0.312 -6.219 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.664 -0.866 -6.236 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.459 -0.904 -4.927 1.00 0.00 H new ATOM 62 N THR A 6 -2.677 -0.449 -7.164 1.00 0.00 N ATOM 63 CA THR A 6 -1.261 -0.112 -7.039 1.00 0.00 C ATOM 64 C THR A 6 -1.135 1.298 -6.519 1.00 0.00 C ATOM 65 O THR A 6 -1.806 2.212 -6.995 1.00 0.00 O ATOM 66 CB THR A 6 -0.547 -0.208 -8.377 1.00 0.00 C ATOM 67 OG1 THR A 6 -0.711 -1.494 -8.917 1.00 0.00 O ATOM 68 CG2 THR A 6 0.947 0.079 -8.256 1.00 0.00 C ATOM 0 H THR A 6 -3.196 0.196 -7.760 1.00 0.00 H new ATOM 0 HA THR A 6 -0.801 -0.822 -6.351 1.00 0.00 H new ATOM 0 HB THR A 6 -0.991 0.545 -9.028 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.250 -1.548 -9.780 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.414 -0.002 -9.238 1.00 0.00 H new ATOM 0 HG22 THR A 6 1.094 1.086 -7.866 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.402 -0.642 -7.577 1.00 0.00 H new ATOM 76 N PHE A 7 -0.225 1.466 -5.571 1.00 0.00 N ATOM 77 CA PHE A 7 -0.026 2.707 -4.843 1.00 0.00 C ATOM 78 C PHE A 7 1.454 3.059 -4.798 1.00 0.00 C ATOM 79 O PHE A 7 2.320 2.186 -4.725 1.00 0.00 O ATOM 80 CB PHE A 7 -0.588 2.608 -3.419 1.00 0.00 C ATOM 81 CG PHE A 7 -2.010 2.075 -3.324 1.00 0.00 C ATOM 82 CD1 PHE A 7 -2.274 0.690 -3.421 1.00 0.00 C ATOM 83 CD2 PHE A 7 -3.088 2.974 -3.189 1.00 0.00 C ATOM 84 CE1 PHE A 7 -3.590 0.221 -3.438 1.00 0.00 C ATOM 85 CE2 PHE A 7 -4.407 2.492 -3.172 1.00 0.00 C ATOM 86 CZ PHE A 7 -4.660 1.121 -3.318 1.00 0.00 C ATOM 0 H PHE A 7 0.411 0.723 -5.281 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.565 3.496 -5.367 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.065 1.964 -2.831 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -0.556 3.597 -2.962 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.454 -0.010 -3.482 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.899 4.034 -3.099 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.784 -0.836 -3.544 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.230 3.180 -3.046 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.677 0.758 -3.338 1.00 0.00 H new ATOM 96 N ILE A 8 1.758 4.350 -4.800 1.00 0.00 N ATOM 97 CA ILE A 8 3.111 4.870 -4.833 1.00 0.00 C ATOM 98 C ILE A 8 3.278 6.004 -3.839 1.00 0.00 C ATOM 99 O ILE A 8 2.425 6.883 -3.736 1.00 0.00 O ATOM 100 CB ILE A 8 3.458 5.254 -6.282 1.00 0.00 C ATOM 101 CG1 ILE A 8 4.978 5.486 -6.350 1.00 0.00 C ATOM 102 CG2 ILE A 8 2.678 6.454 -6.848 1.00 0.00 C ATOM 103 CD1 ILE A 8 5.564 5.216 -7.735 1.00 0.00 C ATOM 0 H ILE A 8 1.048 5.082 -4.778 1.00 0.00 H new ATOM 0 HA ILE A 8 3.824 4.108 -4.518 1.00 0.00 H new ATOM 0 HB ILE A 8 3.149 4.429 -6.924 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.196 6.515 -6.064 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.471 4.842 -5.622 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.995 6.643 -7.873 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.611 6.234 -6.833 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.875 7.336 -6.239 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.639 5.398 -7.717 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.376 4.179 -8.014 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.096 5.878 -8.463 1.00 0.00 H new ATOM 115 N ILE A 9 4.373 5.929 -3.085 1.00 0.00 N ATOM 116 CA ILE A 9 4.630 6.776 -1.938 1.00 0.00 C ATOM 117 C ILE A 9 5.745 7.764 -2.289 1.00 0.00 C ATOM 118 O ILE A 9 6.881 7.367 -2.542 1.00 0.00 O ATOM 119 CB ILE A 9 4.985 5.916 -0.706 1.00 0.00 C ATOM 120 CG1 ILE A 9 3.988 4.767 -0.410 1.00 0.00 C ATOM 121 CG2 ILE A 9 5.060 6.837 0.528 1.00 0.00 C ATOM 122 CD1 ILE A 9 4.146 3.463 -1.190 1.00 0.00 C ATOM 0 H ILE A 9 5.120 5.259 -3.265 1.00 0.00 H new ATOM 0 HA ILE A 9 3.736 7.344 -1.683 1.00 0.00 H new ATOM 0 HB ILE A 9 5.939 5.438 -0.930 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.056 4.531 0.652 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.981 5.144 -0.589 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.310 6.246 1.409 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.827 7.595 0.370 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.096 7.322 0.679 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.379 2.755 -0.875 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.040 3.662 -2.256 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.132 3.040 -0.996 1.00 0.00 H new ATOM 134 N ASP A 10 5.448 9.057 -2.308 1.00 0.00 N ATOM 135 CA ASP A 10 6.406 10.094 -2.714 1.00 0.00 C ATOM 136 C ASP A 10 7.399 10.507 -1.610 1.00 0.00 C ATOM 137 O ASP A 10 8.196 11.423 -1.787 1.00 0.00 O ATOM 138 CB ASP A 10 5.628 11.288 -3.288 1.00 0.00 C ATOM 139 CG ASP A 10 6.413 12.086 -4.328 1.00 0.00 C ATOM 140 OD1 ASP A 10 7.263 11.487 -5.030 1.00 0.00 O ATOM 141 OD2 ASP A 10 6.094 13.291 -4.449 1.00 0.00 O ATOM 0 H ASP A 10 4.534 9.424 -2.042 1.00 0.00 H new ATOM 0 HA ASP A 10 7.048 9.671 -3.487 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.705 10.926 -3.741 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.343 11.952 -2.472 1.00 0.00 H new ATOM 146 N GLY A 11 7.346 9.809 -0.472 1.00 0.00 N ATOM 147 CA GLY A 11 8.126 10.077 0.742 1.00 0.00 C ATOM 148 C GLY A 11 8.448 8.850 1.600 1.00 0.00 C ATOM 149 O GLY A 11 8.685 9.011 2.795 1.00 0.00 O ATOM 0 H GLY A 11 6.729 9.003 -0.366 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.063 10.554 0.454 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.579 10.794 1.354 1.00 0.00 H new ATOM 153 N MET A 12 8.437 7.620 1.054 1.00 0.00 N ATOM 154 CA MET A 12 8.784 6.447 1.879 1.00 0.00 C ATOM 155 C MET A 12 10.272 6.405 2.227 1.00 0.00 C ATOM 156 O MET A 12 11.118 6.733 1.403 1.00 0.00 O ATOM 157 CB MET A 12 8.277 5.101 1.329 1.00 0.00 C ATOM 158 CG MET A 12 9.126 4.396 0.260 1.00 0.00 C ATOM 159 SD MET A 12 9.499 2.661 0.615 1.00 0.00 S ATOM 160 CE MET A 12 8.203 1.819 -0.329 1.00 0.00 C ATOM 0 H MET A 12 8.201 7.415 0.083 1.00 0.00 H new ATOM 0 HA MET A 12 8.232 6.591 2.808 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.163 4.417 2.170 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.283 5.263 0.913 1.00 0.00 H new ATOM 0 HG2 MET A 12 8.604 4.453 -0.695 1.00 0.00 H new ATOM 0 HG3 MET A 12 10.064 4.939 0.144 1.00 0.00 H new ATOM 0 HE1 MET A 12 7.761 1.032 0.282 1.00 0.00 H new ATOM 0 HE2 MET A 12 7.432 2.537 -0.609 1.00 0.00 H new ATOM 0 HE3 MET A 12 8.635 1.381 -1.229 1.00 0.00 H new ATOM 170 N HIS A 13 10.607 5.907 3.416 1.00 0.00 N ATOM 171 CA HIS A 13 11.964 5.864 3.976 1.00 0.00 C ATOM 172 C HIS A 13 12.870 4.785 3.313 1.00 0.00 C ATOM 173 O HIS A 13 13.792 4.266 3.948 1.00 0.00 O ATOM 174 CB HIS A 13 11.890 5.601 5.494 1.00 0.00 C ATOM 175 CG HIS A 13 10.856 6.290 6.376 1.00 0.00 C ATOM 176 ND1 HIS A 13 10.641 5.942 7.693 1.00 0.00 N ATOM 177 CD2 HIS A 13 9.806 7.102 6.017 1.00 0.00 C ATOM 178 CE1 HIS A 13 9.476 6.471 8.094 1.00 0.00 C ATOM 179 NE2 HIS A 13 8.914 7.160 7.092 1.00 0.00 N ATOM 0 H HIS A 13 9.913 5.504 4.045 1.00 0.00 H new ATOM 0 HA HIS A 13 12.417 6.834 3.770 1.00 0.00 H new ATOM 0 HB2 HIS A 13 11.750 4.528 5.622 1.00 0.00 H new ATOM 0 HB3 HIS A 13 12.869 5.846 5.905 1.00 0.00 H new ATOM 0 HD1 HIS A 13 11.265 5.376 8.267 1.00 0.00 H new ATOM 0 HD2 HIS A 13 9.690 7.607 5.069 1.00 0.00 H new ATOM 0 HE1 HIS A 13 9.052 6.358 9.081 1.00 0.00 H new ATOM 187 N CYS A 14 12.563 4.368 2.078 1.00 0.00 N ATOM 188 CA CYS A 14 13.337 3.451 1.232 1.00 0.00 C ATOM 189 C CYS A 14 13.165 1.987 1.693 1.00 0.00 C ATOM 190 O CYS A 14 12.076 1.573 2.096 1.00 0.00 O ATOM 191 CB CYS A 14 14.789 3.973 1.127 1.00 0.00 C ATOM 192 SG CYS A 14 15.648 3.254 -0.304 1.00 0.00 S ATOM 0 H CYS A 14 11.712 4.683 1.613 1.00 0.00 H new ATOM 0 HA CYS A 14 12.957 3.433 0.211 1.00 0.00 H new ATOM 0 HB2 CYS A 14 14.782 5.060 1.041 1.00 0.00 H new ATOM 0 HB3 CYS A 14 15.332 3.729 2.040 1.00 0.00 H new ATOM 0 HG CYS A 14 16.861 3.717 -0.360 1.00 0.00 H new ATOM 198 N LYS A 15 14.225 1.175 1.654 1.00 0.00 N ATOM 199 CA LYS A 15 14.181 -0.269 1.939 1.00 0.00 C ATOM 200 C LYS A 15 13.595 -0.622 3.318 1.00 0.00 C ATOM 201 O LYS A 15 12.848 -1.590 3.424 1.00 0.00 O ATOM 202 CB LYS A 15 15.589 -0.864 1.735 1.00 0.00 C ATOM 203 CG LYS A 15 15.827 -1.395 0.310 1.00 0.00 C ATOM 204 CD LYS A 15 15.552 -0.380 -0.809 1.00 0.00 C ATOM 205 CE LYS A 15 15.780 -1.004 -2.186 1.00 0.00 C ATOM 206 NZ LYS A 15 15.424 -0.042 -3.264 1.00 0.00 N ATOM 0 H LYS A 15 15.160 1.507 1.419 1.00 0.00 H new ATOM 0 HA LYS A 15 13.485 -0.722 1.233 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.334 -0.101 1.960 1.00 0.00 H new ATOM 0 HB3 LYS A 15 15.739 -1.675 2.447 1.00 0.00 H new ATOM 0 HG2 LYS A 15 16.861 -1.731 0.230 1.00 0.00 H new ATOM 0 HG3 LYS A 15 15.195 -2.269 0.152 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.526 -0.021 -0.734 1.00 0.00 H new ATOM 0 HD3 LYS A 15 16.202 0.486 -0.687 1.00 0.00 H new ATOM 0 HE2 LYS A 15 16.824 -1.302 -2.288 1.00 0.00 H new ATOM 0 HE3 LYS A 15 15.179 -1.908 -2.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 16.058 -0.181 -4.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 14.440 -0.202 -3.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 15.524 0.930 -2.909 1.00 0.00 H new ATOM 220 N SER A 16 13.834 0.160 4.370 1.00 0.00 N ATOM 221 CA SER A 16 13.155 -0.092 5.651 1.00 0.00 C ATOM 222 C SER A 16 11.661 0.234 5.584 1.00 0.00 C ATOM 223 O SER A 16 10.868 -0.488 6.184 1.00 0.00 O ATOM 224 CB SER A 16 13.796 0.724 6.782 1.00 0.00 C ATOM 225 OG SER A 16 15.214 0.682 6.704 1.00 0.00 O ATOM 0 H SER A 16 14.474 0.954 4.369 1.00 0.00 H new ATOM 0 HA SER A 16 13.268 -1.156 5.857 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.456 1.758 6.726 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.470 0.333 7.746 1.00 0.00 H new ATOM 0 HG SER A 16 15.598 1.211 7.434 1.00 0.00 H new ATOM 231 N CYS A 17 11.248 1.255 4.815 1.00 0.00 N ATOM 232 CA CYS A 17 9.832 1.495 4.612 1.00 0.00 C ATOM 233 C CYS A 17 9.165 0.399 3.796 1.00 0.00 C ATOM 234 O CYS A 17 8.101 -0.018 4.226 1.00 0.00 O ATOM 235 CB CYS A 17 9.596 2.899 4.067 1.00 0.00 C ATOM 236 SG CYS A 17 9.079 3.903 5.481 1.00 0.00 S ATOM 0 H CYS A 17 11.869 1.909 4.338 1.00 0.00 H new ATOM 0 HA CYS A 17 9.339 1.450 5.583 1.00 0.00 H new ATOM 0 HB2 CYS A 17 10.503 3.300 3.615 1.00 0.00 H new ATOM 0 HB3 CYS A 17 8.830 2.893 3.292 1.00 0.00 H new ATOM 0 HG CYS A 17 8.120 3.297 6.116 1.00 0.00 H new ATOM 242 N VAL A 18 9.781 -0.101 2.720 1.00 0.00 N ATOM 243 CA VAL A 18 9.269 -1.243 1.936 1.00 0.00 C ATOM 244 C VAL A 18 8.697 -2.333 2.847 1.00 0.00 C ATOM 245 O VAL A 18 7.514 -2.649 2.745 1.00 0.00 O ATOM 246 CB VAL A 18 10.374 -1.837 1.021 1.00 0.00 C ATOM 247 CG1 VAL A 18 10.101 -3.276 0.548 1.00 0.00 C ATOM 248 CG2 VAL A 18 10.696 -0.897 -0.154 1.00 0.00 C ATOM 0 H VAL A 18 10.658 0.275 2.361 1.00 0.00 H new ATOM 0 HA VAL A 18 8.464 -0.866 1.305 1.00 0.00 H new ATOM 0 HB VAL A 18 11.261 -1.913 1.650 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.922 -3.613 -0.085 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.017 -3.934 1.413 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.171 -3.302 -0.019 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.473 -1.343 -0.774 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.798 -0.742 -0.753 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.045 0.061 0.232 1.00 0.00 H new ATOM 258 N SER A 19 9.500 -2.832 3.790 1.00 0.00 N ATOM 259 CA SER A 19 9.094 -3.904 4.704 1.00 0.00 C ATOM 260 C SER A 19 7.915 -3.515 5.614 1.00 0.00 C ATOM 261 O SER A 19 7.000 -4.324 5.805 1.00 0.00 O ATOM 262 CB SER A 19 10.337 -4.252 5.537 1.00 0.00 C ATOM 263 OG SER A 19 10.149 -5.412 6.326 1.00 0.00 O ATOM 0 H SER A 19 10.453 -2.503 3.942 1.00 0.00 H new ATOM 0 HA SER A 19 8.733 -4.757 4.129 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.187 -4.402 4.871 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.584 -3.411 6.185 1.00 0.00 H new ATOM 0 HG SER A 19 10.965 -5.596 6.837 1.00 0.00 H new ATOM 269 N ASN A 20 7.849 -2.265 6.098 1.00 0.00 N ATOM 270 CA ASN A 20 6.663 -1.779 6.804 1.00 0.00 C ATOM 271 C ASN A 20 5.432 -1.769 5.909 1.00 0.00 C ATOM 272 O ASN A 20 4.357 -2.123 6.369 1.00 0.00 O ATOM 273 CB ASN A 20 6.860 -0.347 7.278 1.00 0.00 C ATOM 274 CG ASN A 20 8.000 -0.200 8.259 1.00 0.00 C ATOM 275 OD1 ASN A 20 8.196 -0.969 9.188 1.00 0.00 O ATOM 276 ND2 ASN A 20 8.821 0.794 8.016 1.00 0.00 N ATOM 0 H ASN A 20 8.600 -1.580 6.012 1.00 0.00 H new ATOM 0 HA ASN A 20 6.518 -2.460 7.643 1.00 0.00 H new ATOM 0 HB2 ASN A 20 7.046 0.293 6.415 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.940 0.005 7.744 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.640 0.935 8.607 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.640 1.425 7.236 1.00 0.00 H new ATOM 283 N ILE A 21 5.553 -1.341 4.647 1.00 0.00 N ATOM 284 CA ILE A 21 4.367 -1.200 3.792 1.00 0.00 C ATOM 285 C ILE A 21 3.779 -2.570 3.486 1.00 0.00 C ATOM 286 O ILE A 21 2.572 -2.734 3.615 1.00 0.00 O ATOM 287 CB ILE A 21 4.610 -0.386 2.505 1.00 0.00 C ATOM 288 CG1 ILE A 21 5.680 0.724 2.677 1.00 0.00 C ATOM 289 CG2 ILE A 21 3.222 0.101 2.034 1.00 0.00 C ATOM 290 CD1 ILE A 21 5.516 1.929 1.747 1.00 0.00 C ATOM 0 H ILE A 21 6.437 -1.092 4.203 1.00 0.00 H new ATOM 0 HA ILE A 21 3.643 -0.614 4.359 1.00 0.00 H new ATOM 0 HB ILE A 21 5.057 -1.000 1.723 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.656 1.074 3.709 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.665 0.287 2.511 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.332 0.686 1.121 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.582 -0.759 1.838 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.771 0.720 2.810 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.310 2.650 1.942 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.573 1.599 0.710 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.548 2.398 1.926 1.00 0.00 H new ATOM 302 N GLU A 22 4.632 -3.552 3.185 1.00 0.00 N ATOM 303 CA GLU A 22 4.256 -4.959 3.090 1.00 0.00 C ATOM 304 C GLU A 22 3.530 -5.403 4.375 1.00 0.00 C ATOM 305 O GLU A 22 2.398 -5.873 4.331 1.00 0.00 O ATOM 306 CB GLU A 22 5.530 -5.781 2.788 1.00 0.00 C ATOM 307 CG GLU A 22 6.095 -5.440 1.397 1.00 0.00 C ATOM 308 CD GLU A 22 6.810 -6.589 0.689 1.00 0.00 C ATOM 309 OE1 GLU A 22 7.793 -7.095 1.271 1.00 0.00 O ATOM 310 OE2 GLU A 22 6.377 -6.913 -0.444 1.00 0.00 O ATOM 0 H GLU A 22 5.621 -3.385 2.998 1.00 0.00 H new ATOM 0 HA GLU A 22 3.550 -5.126 2.277 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.284 -5.581 3.549 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.300 -6.845 2.839 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.277 -5.096 0.764 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.791 -4.607 1.499 1.00 0.00 H new ATOM 317 N SER A 23 4.133 -5.182 5.542 1.00 0.00 N ATOM 318 CA SER A 23 3.622 -5.681 6.830 1.00 0.00 C ATOM 319 C SER A 23 2.341 -5.014 7.357 1.00 0.00 C ATOM 320 O SER A 23 1.443 -5.698 7.850 1.00 0.00 O ATOM 321 CB SER A 23 4.725 -5.512 7.884 1.00 0.00 C ATOM 322 OG SER A 23 5.919 -6.165 7.491 1.00 0.00 O ATOM 0 H SER A 23 4.998 -4.648 5.627 1.00 0.00 H new ATOM 0 HA SER A 23 3.348 -6.720 6.648 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.923 -4.451 8.039 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.384 -5.916 8.837 1.00 0.00 H new ATOM 0 HG SER A 23 6.436 -5.575 6.904 1.00 0.00 H new ATOM 328 N THR A 24 2.271 -3.680 7.292 1.00 0.00 N ATOM 329 CA THR A 24 1.168 -2.846 7.785 1.00 0.00 C ATOM 330 C THR A 24 -0.070 -3.025 6.926 1.00 0.00 C ATOM 331 O THR A 24 -1.179 -3.032 7.450 1.00 0.00 O ATOM 332 CB THR A 24 1.614 -1.371 7.861 1.00 0.00 C ATOM 333 OG1 THR A 24 2.631 -1.288 8.829 1.00 0.00 O ATOM 334 CG2 THR A 24 0.497 -0.419 8.293 1.00 0.00 C ATOM 0 H THR A 24 3.018 -3.125 6.874 1.00 0.00 H new ATOM 0 HA THR A 24 0.903 -3.165 8.793 1.00 0.00 H new ATOM 0 HB THR A 24 1.935 -1.073 6.863 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.494 -1.497 8.415 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.880 0.601 8.325 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.325 -0.475 7.580 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.139 -0.703 9.282 1.00 0.00 H new ATOM 342 N LEU A 25 0.116 -3.201 5.618 1.00 0.00 N ATOM 343 CA LEU A 25 -0.966 -3.549 4.707 1.00 0.00 C ATOM 344 C LEU A 25 -1.385 -5.006 4.854 1.00 0.00 C ATOM 345 O LEU A 25 -2.570 -5.240 5.028 1.00 0.00 O ATOM 346 CB LEU A 25 -0.567 -3.231 3.266 1.00 0.00 C ATOM 347 CG LEU A 25 -0.550 -1.739 2.860 1.00 0.00 C ATOM 348 CD1 LEU A 25 -1.882 -1.390 2.188 1.00 0.00 C ATOM 349 CD2 LEU A 25 -0.266 -0.737 3.996 1.00 0.00 C ATOM 0 H LEU A 25 1.024 -3.105 5.163 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.833 -2.943 4.970 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.427 -3.642 3.090 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.252 -3.756 2.600 1.00 0.00 H new ATOM 0 HG LEU A 25 0.295 -1.634 2.179 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.879 -0.339 1.898 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.016 -2.010 1.302 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.700 -1.572 2.885 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.278 0.278 3.598 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.031 -0.834 4.766 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.713 -0.945 4.429 1.00 0.00 H new ATOM 361 N SER A 26 -0.469 -5.982 4.825 1.00 0.00 N ATOM 362 CA SER A 26 -0.822 -7.418 4.853 1.00 0.00 C ATOM 363 C SER A 26 -1.430 -7.895 6.196 1.00 0.00 C ATOM 364 O SER A 26 -1.548 -9.097 6.441 1.00 0.00 O ATOM 365 CB SER A 26 0.410 -8.268 4.503 1.00 0.00 C ATOM 366 OG SER A 26 0.057 -9.631 4.342 1.00 0.00 O ATOM 0 H SER A 26 0.535 -5.806 4.782 1.00 0.00 H new ATOM 0 HA SER A 26 -1.603 -7.551 4.105 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.865 -7.895 3.585 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.158 -8.173 5.290 1.00 0.00 H new ATOM 0 HG SER A 26 -0.547 -9.900 5.065 1.00 0.00 H new ATOM 372 N ALA A 27 -1.805 -6.955 7.062 1.00 0.00 N ATOM 373 CA ALA A 27 -2.475 -7.166 8.339 1.00 0.00 C ATOM 374 C ALA A 27 -3.933 -6.667 8.310 1.00 0.00 C ATOM 375 O ALA A 27 -4.612 -6.695 9.337 1.00 0.00 O ATOM 376 CB ALA A 27 -1.652 -6.433 9.408 1.00 0.00 C ATOM 0 H ALA A 27 -1.638 -5.966 6.877 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.531 -8.231 8.563 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.121 -6.566 10.383 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.642 -6.841 9.433 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.608 -5.371 9.168 1.00 0.00 H new ATOM 382 N LEU A 28 -4.427 -6.155 7.172 1.00 0.00 N ATOM 383 CA LEU A 28 -5.755 -5.557 7.099 1.00 0.00 C ATOM 384 C LEU A 28 -6.819 -6.651 6.959 1.00 0.00 C ATOM 385 O LEU A 28 -6.754 -7.474 6.048 1.00 0.00 O ATOM 386 CB LEU A 28 -5.823 -4.555 5.935 1.00 0.00 C ATOM 387 CG LEU A 28 -4.866 -3.355 6.075 1.00 0.00 C ATOM 388 CD1 LEU A 28 -4.632 -2.680 4.718 1.00 0.00 C ATOM 389 CD2 LEU A 28 -5.418 -2.316 7.052 1.00 0.00 C ATOM 0 H LEU A 28 -3.917 -6.147 6.288 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.954 -5.011 8.021 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.597 -5.079 5.006 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.844 -4.183 5.850 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.922 -3.743 6.458 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.953 -1.836 4.844 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.194 -3.398 4.025 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.582 -2.325 4.319 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.720 -1.482 7.129 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.380 -1.952 6.691 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.548 -2.772 8.033 1.00 0.00 H new ATOM 401 N GLN A 29 -7.854 -6.595 7.802 1.00 0.00 N ATOM 402 CA GLN A 29 -8.938 -7.594 7.901 1.00 0.00 C ATOM 403 C GLN A 29 -9.752 -7.828 6.607 1.00 0.00 C ATOM 404 O GLN A 29 -10.656 -8.657 6.609 1.00 0.00 O ATOM 405 CB GLN A 29 -9.892 -7.182 9.043 1.00 0.00 C ATOM 406 CG GLN A 29 -9.267 -7.189 10.450 1.00 0.00 C ATOM 407 CD GLN A 29 -8.966 -8.599 10.956 1.00 0.00 C ATOM 408 OE1 GLN A 29 -8.025 -9.243 10.531 1.00 0.00 O ATOM 409 NE2 GLN A 29 -9.748 -9.150 11.863 1.00 0.00 N ATOM 0 H GLN A 29 -7.970 -5.826 8.462 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.445 -8.546 8.098 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -10.271 -6.181 8.836 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -10.750 -7.855 9.040 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.345 -6.608 10.436 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.945 -6.695 11.146 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -10.543 -8.630 12.235 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.558 -10.096 12.193 1.00 0.00 H new ATOM 418 N TYR A 30 -9.452 -7.110 5.519 1.00 0.00 N ATOM 419 CA TYR A 30 -9.975 -7.335 4.166 1.00 0.00 C ATOM 420 C TYR A 30 -8.933 -7.702 3.081 1.00 0.00 C ATOM 421 O TYR A 30 -9.352 -7.960 1.954 1.00 0.00 O ATOM 422 CB TYR A 30 -10.733 -6.065 3.729 1.00 0.00 C ATOM 423 CG TYR A 30 -10.072 -4.719 4.025 1.00 0.00 C ATOM 424 CD1 TYR A 30 -8.752 -4.429 3.615 1.00 0.00 C ATOM 425 CD2 TYR A 30 -10.802 -3.731 4.722 1.00 0.00 C ATOM 426 CE1 TYR A 30 -8.200 -3.164 3.862 1.00 0.00 C ATOM 427 CE2 TYR A 30 -10.237 -2.471 5.003 1.00 0.00 C ATOM 428 CZ TYR A 30 -8.929 -2.179 4.562 1.00 0.00 C ATOM 429 OH TYR A 30 -8.361 -0.970 4.824 1.00 0.00 O ATOM 0 H TYR A 30 -8.808 -6.320 5.559 1.00 0.00 H new ATOM 0 HA TYR A 30 -10.614 -8.215 4.240 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -10.905 -6.128 2.654 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -11.711 -6.074 4.210 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -8.167 -5.183 3.110 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -11.810 -3.945 5.045 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.203 -2.940 3.512 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.802 -1.733 5.553 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.998 -0.408 5.312 1.00 0.00 H new ATOM 439 N VAL A 31 -7.613 -7.653 3.323 1.00 0.00 N ATOM 440 CA VAL A 31 -6.626 -7.774 2.223 1.00 0.00 C ATOM 441 C VAL A 31 -6.199 -9.235 2.028 1.00 0.00 C ATOM 442 O VAL A 31 -5.970 -9.964 2.987 1.00 0.00 O ATOM 443 CB VAL A 31 -5.447 -6.782 2.339 1.00 0.00 C ATOM 444 CG1 VAL A 31 -4.473 -7.140 3.412 1.00 0.00 C ATOM 445 CG2 VAL A 31 -4.582 -6.639 1.076 1.00 0.00 C ATOM 0 H VAL A 31 -7.204 -7.533 4.250 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.127 -7.470 1.304 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.979 -5.854 2.548 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.672 -6.401 3.437 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.983 -7.156 4.375 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.052 -8.125 3.208 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.783 -5.921 1.261 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.148 -7.606 0.821 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.200 -6.289 0.249 1.00 0.00 H new ATOM 455 N SER A 32 -6.138 -9.669 0.773 1.00 0.00 N ATOM 456 CA SER A 32 -5.894 -11.054 0.369 1.00 0.00 C ATOM 457 C SER A 32 -4.406 -11.325 0.129 1.00 0.00 C ATOM 458 O SER A 32 -3.978 -12.473 0.223 1.00 0.00 O ATOM 459 CB SER A 32 -6.659 -11.345 -0.933 1.00 0.00 C ATOM 460 OG SER A 32 -8.028 -11.028 -0.810 1.00 0.00 O ATOM 0 H SER A 32 -6.262 -9.043 -0.023 1.00 0.00 H new ATOM 0 HA SER A 32 -6.236 -11.700 1.178 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.223 -10.769 -1.749 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.550 -12.398 -1.193 1.00 0.00 H new ATOM 0 HG SER A 32 -8.488 -11.230 -1.652 1.00 0.00 H new ATOM 466 N SER A 33 -3.621 -10.291 -0.198 1.00 0.00 N ATOM 467 CA SER A 33 -2.214 -10.333 -0.618 1.00 0.00 C ATOM 468 C SER A 33 -1.647 -8.937 -0.940 1.00 0.00 C ATOM 469 O SER A 33 -2.348 -7.927 -0.953 1.00 0.00 O ATOM 470 CB SER A 33 -2.058 -11.271 -1.823 1.00 0.00 C ATOM 471 OG SER A 33 -1.917 -12.601 -1.379 1.00 0.00 O ATOM 0 H SER A 33 -3.977 -9.335 -0.175 1.00 0.00 H new ATOM 0 HA SER A 33 -1.635 -10.717 0.222 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.927 -11.186 -2.476 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.188 -10.980 -2.411 1.00 0.00 H new ATOM 0 HG SER A 33 -2.610 -12.799 -0.715 1.00 0.00 H new ATOM 477 N ILE A 34 -0.358 -8.876 -1.248 1.00 0.00 N ATOM 478 CA ILE A 34 0.437 -7.666 -1.505 1.00 0.00 C ATOM 479 C ILE A 34 1.838 -8.065 -1.967 1.00 0.00 C ATOM 480 O ILE A 34 2.310 -9.137 -1.600 1.00 0.00 O ATOM 481 CB ILE A 34 0.503 -6.747 -0.249 1.00 0.00 C ATOM 482 CG1 ILE A 34 1.288 -5.439 -0.514 1.00 0.00 C ATOM 483 CG2 ILE A 34 1.103 -7.473 0.970 1.00 0.00 C ATOM 484 CD1 ILE A 34 1.113 -4.387 0.583 1.00 0.00 C ATOM 0 H ILE A 34 0.204 -9.723 -1.332 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.049 -7.092 -2.294 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.531 -6.485 -0.024 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.347 -5.675 -0.614 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.964 -5.017 -1.465 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.129 -6.793 1.822 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.489 -8.340 1.216 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.116 -7.801 0.736 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.691 -3.498 0.330 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.059 -4.122 0.668 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.464 -4.790 1.533 1.00 0.00 H new ATOM 496 N VAL A 35 2.472 -7.202 -2.754 1.00 0.00 N ATOM 497 CA VAL A 35 3.900 -7.226 -3.089 1.00 0.00 C ATOM 498 C VAL A 35 4.369 -5.787 -3.184 1.00 0.00 C ATOM 499 O VAL A 35 3.738 -4.984 -3.875 1.00 0.00 O ATOM 500 CB VAL A 35 4.193 -7.936 -4.429 1.00 0.00 C ATOM 501 CG1 VAL A 35 5.578 -7.611 -5.030 1.00 0.00 C ATOM 502 CG2 VAL A 35 4.145 -9.453 -4.220 1.00 0.00 C ATOM 0 H VAL A 35 1.983 -6.426 -3.200 1.00 0.00 H new ATOM 0 HA VAL A 35 4.424 -7.785 -2.314 1.00 0.00 H new ATOM 0 HB VAL A 35 3.432 -7.576 -5.121 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.703 -8.150 -5.969 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.652 -6.539 -5.214 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.358 -7.914 -4.331 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.351 -9.957 -5.164 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.894 -9.743 -3.483 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.156 -9.740 -3.864 1.00 0.00 H new ATOM 512 N VAL A 36 5.483 -5.470 -2.536 1.00 0.00 N ATOM 513 CA VAL A 36 6.169 -4.189 -2.744 1.00 0.00 C ATOM 514 C VAL A 36 7.259 -4.361 -3.788 1.00 0.00 C ATOM 515 O VAL A 36 8.044 -5.310 -3.790 1.00 0.00 O ATOM 516 CB VAL A 36 6.708 -3.563 -1.443 1.00 0.00 C ATOM 517 CG1 VAL A 36 7.789 -2.497 -1.644 1.00 0.00 C ATOM 518 CG2 VAL A 36 5.571 -2.847 -0.699 1.00 0.00 C ATOM 0 H VAL A 36 5.937 -6.082 -1.858 1.00 0.00 H new ATOM 0 HA VAL A 36 5.431 -3.476 -3.111 1.00 0.00 H new ATOM 0 HB VAL A 36 7.135 -4.404 -0.897 1.00 0.00 H new ATOM 0 HG11 VAL A 36 8.107 -2.114 -0.674 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.643 -2.938 -2.158 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.387 -1.680 -2.243 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.958 -2.407 0.220 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.160 -2.061 -1.333 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.787 -3.564 -0.455 1.00 0.00 H new ATOM 528 N SER A 37 7.302 -3.390 -4.691 1.00 0.00 N ATOM 529 CA SER A 37 8.408 -3.216 -5.616 1.00 0.00 C ATOM 530 C SER A 37 9.658 -2.804 -4.830 1.00 0.00 C ATOM 531 O SER A 37 9.875 -1.614 -4.627 1.00 0.00 O ATOM 532 CB SER A 37 8.064 -2.103 -6.605 1.00 0.00 C ATOM 533 OG SER A 37 7.179 -2.517 -7.625 1.00 0.00 O ATOM 0 H SER A 37 6.562 -2.696 -4.801 1.00 0.00 H new ATOM 0 HA SER A 37 8.590 -4.149 -6.150 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.618 -1.269 -6.063 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.983 -1.733 -7.059 1.00 0.00 H new ATOM 0 HG SER A 37 6.995 -1.764 -8.224 1.00 0.00 H new ATOM 539 N LEU A 38 10.474 -3.767 -4.381 1.00 0.00 N ATOM 540 CA LEU A 38 11.601 -3.545 -3.461 1.00 0.00 C ATOM 541 C LEU A 38 12.590 -2.504 -3.983 1.00 0.00 C ATOM 542 O LEU A 38 13.205 -1.805 -3.186 1.00 0.00 O ATOM 543 CB LEU A 38 12.315 -4.888 -3.170 1.00 0.00 C ATOM 544 CG LEU A 38 12.706 -5.107 -1.691 1.00 0.00 C ATOM 545 CD1 LEU A 38 13.214 -6.536 -1.474 1.00 0.00 C ATOM 546 CD2 LEU A 38 13.764 -4.127 -1.173 1.00 0.00 C ATOM 0 H LEU A 38 10.368 -4.744 -4.653 1.00 0.00 H new ATOM 0 HA LEU A 38 11.193 -3.144 -2.533 1.00 0.00 H new ATOM 0 HB2 LEU A 38 11.665 -5.705 -3.484 1.00 0.00 H new ATOM 0 HB3 LEU A 38 13.216 -4.945 -3.781 1.00 0.00 H new ATOM 0 HG LEU A 38 11.793 -4.927 -1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 38 13.484 -6.671 -0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 38 12.430 -7.245 -1.741 1.00 0.00 H new ATOM 0 HD13 LEU A 38 14.089 -6.710 -2.100 1.00 0.00 H new ATOM 0 HD21 LEU A 38 13.983 -4.347 -0.128 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.674 -4.228 -1.764 1.00 0.00 H new ATOM 0 HD23 LEU A 38 13.388 -3.107 -1.258 1.00 0.00 H new ATOM 558 N GLU A 39 12.766 -2.383 -5.299 1.00 0.00 N ATOM 559 CA GLU A 39 13.515 -1.289 -5.883 1.00 0.00 C ATOM 560 C GLU A 39 12.851 0.066 -5.573 1.00 0.00 C ATOM 561 O GLU A 39 13.435 0.908 -4.885 1.00 0.00 O ATOM 562 CB GLU A 39 13.676 -1.587 -7.376 1.00 0.00 C ATOM 563 CG GLU A 39 14.686 -0.676 -8.064 1.00 0.00 C ATOM 564 CD GLU A 39 13.991 0.488 -8.757 1.00 0.00 C ATOM 565 OE1 GLU A 39 13.641 0.311 -9.940 1.00 0.00 O ATOM 566 OE2 GLU A 39 13.711 1.498 -8.071 1.00 0.00 O ATOM 0 H GLU A 39 12.392 -3.042 -5.981 1.00 0.00 H new ATOM 0 HA GLU A 39 14.510 -1.206 -5.445 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.987 -2.624 -7.502 1.00 0.00 H new ATOM 0 HB3 GLU A 39 12.709 -1.483 -7.867 1.00 0.00 H new ATOM 0 HG2 GLU A 39 15.396 -0.295 -7.330 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.259 -1.248 -8.794 1.00 0.00 H new ATOM 573 N ASN A 40 11.604 0.203 -6.020 1.00 0.00 N ATOM 574 CA ASN A 40 10.786 1.410 -6.031 1.00 0.00 C ATOM 575 C ASN A 40 10.279 1.837 -4.640 1.00 0.00 C ATOM 576 O ASN A 40 10.531 1.261 -3.583 1.00 0.00 O ATOM 577 CB ASN A 40 9.576 1.193 -6.970 1.00 0.00 C ATOM 578 CG ASN A 40 9.911 0.616 -8.336 1.00 0.00 C ATOM 579 OD1 ASN A 40 9.145 -0.168 -8.886 1.00 0.00 O ATOM 580 ND2 ASN A 40 11.049 0.980 -8.885 1.00 0.00 N ATOM 0 H ASN A 40 11.101 -0.592 -6.415 1.00 0.00 H new ATOM 0 HA ASN A 40 11.428 2.216 -6.385 1.00 0.00 H new ATOM 0 HB2 ASN A 40 8.868 0.527 -6.476 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.070 2.148 -7.111 1.00 0.00 H new ATOM 0 HD21 ASN A 40 11.318 0.608 -9.796 1.00 0.00 H new ATOM 0 HD22 ASN A 40 11.663 1.634 -8.400 1.00 0.00 H new ATOM 587 N ARG A 41 9.473 2.896 -4.694 1.00 0.00 N ATOM 588 CA ARG A 41 8.657 3.450 -3.616 1.00 0.00 C ATOM 589 C ARG A 41 7.170 3.028 -3.704 1.00 0.00 C ATOM 590 O ARG A 41 6.292 3.823 -3.372 1.00 0.00 O ATOM 591 CB ARG A 41 8.868 4.977 -3.629 1.00 0.00 C ATOM 592 CG ARG A 41 8.474 5.651 -4.959 1.00 0.00 C ATOM 593 CD ARG A 41 9.599 6.528 -5.523 1.00 0.00 C ATOM 594 NE ARG A 41 9.377 7.962 -5.224 1.00 0.00 N ATOM 595 CZ ARG A 41 10.139 9.000 -5.569 1.00 0.00 C ATOM 596 NH1 ARG A 41 11.338 8.832 -6.098 1.00 0.00 N ATOM 597 NH2 ARG A 41 9.703 10.234 -5.406 1.00 0.00 N ATOM 0 H ARG A 41 9.366 3.429 -5.557 1.00 0.00 H new ATOM 0 HA ARG A 41 8.974 3.045 -2.655 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.286 5.421 -2.822 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.916 5.191 -3.421 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.213 4.885 -5.689 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.584 6.261 -4.805 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.553 6.212 -5.102 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.665 6.387 -6.602 1.00 0.00 H new ATOM 0 HE ARG A 41 8.538 8.182 -4.688 1.00 0.00 H new ATOM 0 HH11 ARG A 41 11.701 7.891 -6.251 1.00 0.00 H new ATOM 0 HH12 ARG A 41 11.901 9.643 -6.353 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.776 10.400 -5.013 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.292 11.023 -5.673 1.00 0.00 H new ATOM 611 N SER A 42 6.829 1.836 -4.210 1.00 0.00 N ATOM 612 CA SER A 42 5.436 1.451 -4.525 1.00 0.00 C ATOM 613 C SER A 42 5.047 0.028 -4.112 1.00 0.00 C ATOM 614 O SER A 42 5.893 -0.851 -3.979 1.00 0.00 O ATOM 615 CB SER A 42 5.174 1.579 -6.031 1.00 0.00 C ATOM 616 OG SER A 42 6.194 0.985 -6.811 1.00 0.00 O ATOM 0 H SER A 42 7.510 1.105 -4.415 1.00 0.00 H new ATOM 0 HA SER A 42 4.828 2.139 -3.938 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.219 1.112 -6.271 1.00 0.00 H new ATOM 0 HB3 SER A 42 5.088 2.634 -6.293 1.00 0.00 H new ATOM 0 HG SER A 42 5.982 1.090 -7.762 1.00 0.00 H new ATOM 622 N ALA A 43 3.735 -0.202 -4.001 1.00 0.00 N ATOM 623 CA ALA A 43 3.110 -1.454 -3.577 1.00 0.00 C ATOM 624 C ALA A 43 1.957 -1.827 -4.513 1.00 0.00 C ATOM 625 O ALA A 43 1.132 -0.985 -4.858 1.00 0.00 O ATOM 626 CB ALA A 43 2.581 -1.261 -2.146 1.00 0.00 C ATOM 0 H ALA A 43 3.046 0.519 -4.216 1.00 0.00 H new ATOM 0 HA ALA A 43 3.842 -2.261 -3.609 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.109 -2.182 -1.805 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.409 -1.011 -1.483 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.850 -0.453 -2.134 1.00 0.00 H new ATOM 632 N ILE A 44 1.870 -3.098 -4.882 1.00 0.00 N ATOM 633 CA ILE A 44 0.738 -3.712 -5.581 1.00 0.00 C ATOM 634 C ILE A 44 0.010 -4.515 -4.503 1.00 0.00 C ATOM 635 O ILE A 44 0.586 -5.451 -3.946 1.00 0.00 O ATOM 636 CB ILE A 44 1.241 -4.581 -6.753 1.00 0.00 C ATOM 637 CG1 ILE A 44 2.045 -3.715 -7.757 1.00 0.00 C ATOM 638 CG2 ILE A 44 0.040 -5.256 -7.443 1.00 0.00 C ATOM 639 CD1 ILE A 44 2.755 -4.527 -8.845 1.00 0.00 C ATOM 0 H ILE A 44 2.620 -3.764 -4.695 1.00 0.00 H new ATOM 0 HA ILE A 44 0.064 -2.987 -6.039 1.00 0.00 H new ATOM 0 HB ILE A 44 1.906 -5.356 -6.372 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.369 -3.003 -8.231 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.786 -3.134 -7.209 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.394 -5.870 -8.271 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.486 -5.884 -6.725 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.638 -4.492 -7.822 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.296 -3.852 -9.508 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.457 -5.220 -8.382 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.018 -5.087 -9.420 1.00 0.00 H new ATOM 651 N VAL A 45 -1.202 -4.096 -4.153 1.00 0.00 N ATOM 652 CA VAL A 45 -1.963 -4.565 -2.985 1.00 0.00 C ATOM 653 C VAL A 45 -3.234 -5.255 -3.484 1.00 0.00 C ATOM 654 O VAL A 45 -3.952 -4.685 -4.305 1.00 0.00 O ATOM 655 CB VAL A 45 -2.338 -3.384 -2.070 1.00 0.00 C ATOM 656 CG1 VAL A 45 -2.940 -3.910 -0.759 1.00 0.00 C ATOM 657 CG2 VAL A 45 -1.155 -2.452 -1.750 1.00 0.00 C ATOM 0 H VAL A 45 -1.707 -3.393 -4.692 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.353 -5.260 -2.408 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.068 -2.791 -2.621 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.203 -3.070 -0.116 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.834 -4.493 -0.978 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.211 -4.541 -0.251 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.494 -1.644 -1.102 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.372 -3.018 -1.246 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.761 -2.033 -2.676 1.00 0.00 H new ATOM 667 N VAL A 46 -3.513 -6.459 -2.989 1.00 0.00 N ATOM 668 CA VAL A 46 -4.534 -7.379 -3.517 1.00 0.00 C ATOM 669 C VAL A 46 -5.558 -7.640 -2.406 1.00 0.00 C ATOM 670 O VAL A 46 -5.191 -8.209 -1.389 1.00 0.00 O ATOM 671 CB VAL A 46 -3.832 -8.704 -3.923 1.00 0.00 C ATOM 672 CG1 VAL A 46 -4.760 -9.758 -4.535 1.00 0.00 C ATOM 673 CG2 VAL A 46 -2.599 -8.504 -4.828 1.00 0.00 C ATOM 0 H VAL A 46 -3.021 -6.840 -2.181 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.039 -6.958 -4.386 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.490 -9.094 -2.964 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.183 -10.648 -4.787 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.537 -10.020 -3.816 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.221 -9.357 -5.437 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.163 -9.474 -5.069 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.900 -8.003 -5.748 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.861 -7.894 -4.308 1.00 0.00 H new ATOM 683 N TYR A 47 -6.821 -7.225 -2.538 1.00 0.00 N ATOM 684 CA TYR A 47 -7.798 -7.228 -1.423 1.00 0.00 C ATOM 685 C TYR A 47 -9.158 -7.831 -1.806 1.00 0.00 C ATOM 686 O TYR A 47 -9.550 -7.794 -2.972 1.00 0.00 O ATOM 687 CB TYR A 47 -7.971 -5.812 -0.853 1.00 0.00 C ATOM 688 CG TYR A 47 -8.745 -4.865 -1.746 1.00 0.00 C ATOM 689 CD1 TYR A 47 -8.097 -4.213 -2.810 1.00 0.00 C ATOM 690 CD2 TYR A 47 -10.122 -4.662 -1.534 1.00 0.00 C ATOM 691 CE1 TYR A 47 -8.816 -3.358 -3.663 1.00 0.00 C ATOM 692 CE2 TYR A 47 -10.854 -3.832 -2.402 1.00 0.00 C ATOM 693 CZ TYR A 47 -10.208 -3.193 -3.481 1.00 0.00 C ATOM 694 OH TYR A 47 -10.949 -2.489 -4.381 1.00 0.00 O ATOM 0 H TYR A 47 -7.204 -6.876 -3.417 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.384 -7.878 -0.652 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.479 -5.881 0.109 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.985 -5.388 -0.663 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -7.041 -4.370 -2.973 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.617 -5.144 -0.704 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.307 -2.829 -4.455 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.912 -3.684 -2.242 1.00 0.00 H new ATOM 0 HH TYR A 47 -11.887 -2.479 -4.096 1.00 0.00 H new ATOM 704 N ASN A 48 -9.917 -8.346 -0.837 1.00 0.00 N ATOM 705 CA ASN A 48 -11.180 -9.025 -1.115 1.00 0.00 C ATOM 706 C ASN A 48 -12.376 -8.056 -1.002 1.00 0.00 C ATOM 707 O ASN A 48 -12.574 -7.449 0.050 1.00 0.00 O ATOM 708 CB ASN A 48 -11.329 -10.202 -0.142 1.00 0.00 C ATOM 709 CG ASN A 48 -12.369 -11.193 -0.633 1.00 0.00 C ATOM 710 OD1 ASN A 48 -13.551 -11.069 -0.347 1.00 0.00 O ATOM 711 ND2 ASN A 48 -11.960 -12.182 -1.406 1.00 0.00 N ATOM 0 H ASN A 48 -9.675 -8.304 0.153 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.172 -9.397 -2.140 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.369 -10.706 -0.027 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.614 -9.830 0.842 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.633 -12.855 -1.773 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.971 -12.273 -1.637 1.00 0.00 H new ATOM 780 N PRO A 54 -10.070 1.832 -3.505 1.00 0.00 N ATOM 781 CA PRO A 54 -8.642 1.819 -3.183 1.00 0.00 C ATOM 782 C PRO A 54 -8.251 2.868 -2.129 1.00 0.00 C ATOM 783 O PRO A 54 -7.226 2.711 -1.467 1.00 0.00 O ATOM 784 CB PRO A 54 -7.935 2.043 -4.524 1.00 0.00 C ATOM 785 CG PRO A 54 -8.941 2.852 -5.335 1.00 0.00 C ATOM 786 CD PRO A 54 -10.267 2.257 -4.885 1.00 0.00 C ATOM 0 HA PRO A 54 -8.349 0.876 -2.722 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -6.997 2.583 -4.396 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.695 1.099 -5.012 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -8.878 3.918 -5.116 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -8.786 2.737 -6.408 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.068 2.992 -4.956 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.551 1.415 -5.516 1.00 0.00 H new ATOM 794 N GLU A 55 -9.080 3.898 -1.922 1.00 0.00 N ATOM 795 CA GLU A 55 -8.905 4.939 -0.908 1.00 0.00 C ATOM 796 C GLU A 55 -8.726 4.456 0.534 1.00 0.00 C ATOM 797 O GLU A 55 -8.226 5.247 1.333 1.00 0.00 O ATOM 798 CB GLU A 55 -10.079 5.938 -0.995 1.00 0.00 C ATOM 799 CG GLU A 55 -9.708 7.196 -1.788 1.00 0.00 C ATOM 800 CD GLU A 55 -8.969 6.831 -3.069 1.00 0.00 C ATOM 801 OE1 GLU A 55 -9.587 6.131 -3.896 1.00 0.00 O ATOM 802 OE2 GLU A 55 -7.760 7.165 -3.132 1.00 0.00 O ATOM 0 H GLU A 55 -9.924 4.032 -2.479 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.953 5.413 -1.148 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.934 5.452 -1.466 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.388 6.222 0.011 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.610 7.757 -2.031 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.083 7.846 -1.175 1.00 0.00 H new ATOM 809 N SER A 56 -9.084 3.221 0.896 1.00 0.00 N ATOM 810 CA SER A 56 -8.740 2.638 2.190 1.00 0.00 C ATOM 811 C SER A 56 -7.325 2.052 2.217 1.00 0.00 C ATOM 812 O SER A 56 -6.628 2.213 3.216 1.00 0.00 O ATOM 813 CB SER A 56 -9.706 1.505 2.501 1.00 0.00 C ATOM 814 OG SER A 56 -11.051 1.942 2.466 1.00 0.00 O ATOM 0 H SER A 56 -9.623 2.597 0.295 1.00 0.00 H new ATOM 0 HA SER A 56 -8.799 3.442 2.923 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.566 0.699 1.781 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.482 1.095 3.486 1.00 0.00 H new ATOM 0 HG SER A 56 -11.645 1.189 2.668 1.00 0.00 H new ATOM 820 N LEU A 57 -6.886 1.377 1.142 1.00 0.00 N ATOM 821 CA LEU A 57 -5.527 0.837 1.080 1.00 0.00 C ATOM 822 C LEU A 57 -4.507 1.977 1.017 1.00 0.00 C ATOM 823 O LEU A 57 -3.575 1.965 1.814 1.00 0.00 O ATOM 824 CB LEU A 57 -5.348 -0.106 -0.113 1.00 0.00 C ATOM 825 CG LEU A 57 -6.214 -1.380 -0.185 1.00 0.00 C ATOM 826 CD1 LEU A 57 -5.785 -2.167 -1.431 1.00 0.00 C ATOM 827 CD2 LEU A 57 -6.115 -2.289 1.048 1.00 0.00 C ATOM 0 H LEU A 57 -7.451 1.196 0.312 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.358 0.257 1.987 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.531 0.470 -1.020 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.303 -0.415 -0.137 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.255 -1.060 -0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.381 -3.076 -1.510 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.939 -1.554 -2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.730 -2.430 -1.350 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.756 -3.160 0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.083 -2.615 1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.435 -1.739 1.933 1.00 0.00 H new ATOM 839 N ARG A 58 -4.722 3.006 0.179 1.00 0.00 N ATOM 840 CA ARG A 58 -3.926 4.235 0.176 1.00 0.00 C ATOM 841 C ARG A 58 -3.775 4.785 1.600 1.00 0.00 C ATOM 842 O ARG A 58 -2.675 5.083 2.051 1.00 0.00 O ATOM 843 CB ARG A 58 -4.617 5.271 -0.729 1.00 0.00 C ATOM 844 CG ARG A 58 -3.720 6.494 -0.963 1.00 0.00 C ATOM 845 CD ARG A 58 -4.461 7.833 -0.897 1.00 0.00 C ATOM 846 NE ARG A 58 -5.306 8.071 -2.084 1.00 0.00 N ATOM 847 CZ ARG A 58 -5.164 9.047 -2.969 1.00 0.00 C ATOM 848 NH1 ARG A 58 -4.196 9.936 -2.890 1.00 0.00 N ATOM 849 NH2 ARG A 58 -6.019 9.115 -3.965 1.00 0.00 N ATOM 0 H ARG A 58 -5.463 3.003 -0.522 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.928 4.020 -0.206 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.867 4.812 -1.686 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.555 5.587 -0.273 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.923 6.495 -0.219 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.245 6.401 -1.940 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.083 7.857 -0.002 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.736 8.641 -0.803 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.076 7.419 -2.238 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.521 9.888 -2.127 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.121 10.672 -3.592 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.768 8.427 -4.042 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.934 9.856 -4.661 1.00 0.00 H new ATOM 863 N LYS A 59 -4.885 4.850 2.340 1.00 0.00 N ATOM 864 CA LYS A 59 -4.921 5.305 3.729 1.00 0.00 C ATOM 865 C LYS A 59 -4.202 4.359 4.700 1.00 0.00 C ATOM 866 O LYS A 59 -3.545 4.868 5.599 1.00 0.00 O ATOM 867 CB LYS A 59 -6.386 5.538 4.131 1.00 0.00 C ATOM 868 CG LYS A 59 -6.883 6.980 3.931 1.00 0.00 C ATOM 869 CD LYS A 59 -6.478 7.621 2.589 1.00 0.00 C ATOM 870 CE LYS A 59 -7.472 8.667 2.080 1.00 0.00 C ATOM 871 NZ LYS A 59 -8.770 8.031 1.748 1.00 0.00 N ATOM 0 H LYS A 59 -5.801 4.582 1.981 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.366 6.241 3.796 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.019 4.866 3.552 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.509 5.267 5.180 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.970 6.989 4.009 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.500 7.598 4.743 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.499 8.087 2.700 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.374 6.837 1.839 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.620 9.436 2.838 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.067 9.163 1.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.158 8.464 0.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.627 7.013 1.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.436 8.169 2.535 1.00 0.00 H new ATOM 885 N ALA A 60 -4.235 3.034 4.516 1.00 0.00 N ATOM 886 CA ALA A 60 -3.402 2.129 5.314 1.00 0.00 C ATOM 887 C ALA A 60 -1.895 2.386 5.107 1.00 0.00 C ATOM 888 O ALA A 60 -1.105 2.239 6.036 1.00 0.00 O ATOM 889 CB ALA A 60 -3.792 0.691 4.971 1.00 0.00 C ATOM 0 H ALA A 60 -4.825 2.568 3.827 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.582 2.313 6.373 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.184 -0.000 5.554 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.845 0.534 5.205 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.626 0.513 3.909 1.00 0.00 H new ATOM 895 N ILE A 61 -1.506 2.834 3.908 1.00 0.00 N ATOM 896 CA ILE A 61 -0.140 3.274 3.600 1.00 0.00 C ATOM 897 C ILE A 61 0.130 4.634 4.268 1.00 0.00 C ATOM 898 O ILE A 61 1.006 4.722 5.126 1.00 0.00 O ATOM 899 CB ILE A 61 0.127 3.259 2.067 1.00 0.00 C ATOM 900 CG1 ILE A 61 -0.248 1.922 1.396 1.00 0.00 C ATOM 901 CG2 ILE A 61 1.607 3.517 1.777 1.00 0.00 C ATOM 902 CD1 ILE A 61 -0.193 1.901 -0.134 1.00 0.00 C ATOM 0 H ILE A 61 -2.141 2.902 3.112 1.00 0.00 H new ATOM 0 HA ILE A 61 0.577 2.568 4.019 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.505 4.046 1.655 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.420 1.148 1.775 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.257 1.652 1.707 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.775 3.503 0.700 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.892 4.491 2.176 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.211 2.741 2.248 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.476 0.912 -0.495 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.883 2.644 -0.533 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.820 2.132 -0.465 1.00 0.00 H new ATOM 914 N GLU A 62 -0.665 5.670 3.977 1.00 0.00 N ATOM 915 CA GLU A 62 -0.568 7.004 4.589 1.00 0.00 C ATOM 916 C GLU A 62 -0.650 6.988 6.128 1.00 0.00 C ATOM 917 O GLU A 62 -0.217 7.944 6.757 1.00 0.00 O ATOM 918 CB GLU A 62 -1.623 7.961 3.978 1.00 0.00 C ATOM 919 CG GLU A 62 -1.284 8.223 2.507 1.00 0.00 C ATOM 920 CD GLU A 62 -2.182 9.153 1.682 1.00 0.00 C ATOM 921 OE1 GLU A 62 -3.429 9.036 1.779 1.00 0.00 O ATOM 922 OE2 GLU A 62 -1.598 9.875 0.830 1.00 0.00 O ATOM 0 H GLU A 62 -1.416 5.603 3.290 1.00 0.00 H new ATOM 0 HA GLU A 62 0.429 7.378 4.354 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.618 7.523 4.061 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.641 8.900 4.531 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.273 8.628 2.471 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.259 7.258 2.000 1.00 0.00 H new ATOM 929 N ALA A 63 -1.116 5.898 6.752 1.00 0.00 N ATOM 930 CA ALA A 63 -1.129 5.710 8.203 1.00 0.00 C ATOM 931 C ALA A 63 0.115 5.027 8.797 1.00 0.00 C ATOM 932 O ALA A 63 0.187 4.896 10.017 1.00 0.00 O ATOM 933 CB ALA A 63 -2.417 4.963 8.577 1.00 0.00 C ATOM 0 H ALA A 63 -1.504 5.103 6.245 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.102 6.703 8.651 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.449 4.811 9.656 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.281 5.551 8.267 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.436 3.996 8.074 1.00 0.00 H new ATOM 939 N VAL A 64 1.099 4.650 7.977 1.00 0.00 N ATOM 940 CA VAL A 64 2.360 4.030 8.441 1.00 0.00 C ATOM 941 C VAL A 64 3.433 5.082 8.712 1.00 0.00 C ATOM 942 O VAL A 64 4.173 4.975 9.685 1.00 0.00 O ATOM 943 CB VAL A 64 2.876 2.911 7.505 1.00 0.00 C ATOM 944 CG1 VAL A 64 3.764 3.317 6.345 1.00 0.00 C ATOM 945 CG2 VAL A 64 3.699 1.906 8.322 1.00 0.00 C ATOM 0 H VAL A 64 1.051 4.764 6.964 1.00 0.00 H new ATOM 0 HA VAL A 64 2.125 3.539 9.386 1.00 0.00 H new ATOM 0 HB VAL A 64 1.956 2.519 7.071 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.048 2.431 5.777 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.223 4.006 5.696 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.660 3.806 6.727 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.064 1.116 7.666 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.545 2.417 8.781 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.073 1.470 9.100 1.00 0.00 H new ATOM 955 N SER A 65 3.461 6.151 7.906 1.00 0.00 N ATOM 956 CA SER A 65 4.278 7.331 8.195 1.00 0.00 C ATOM 957 C SER A 65 3.564 8.657 7.834 1.00 0.00 C ATOM 958 O SER A 65 4.015 9.382 6.945 1.00 0.00 O ATOM 959 CB SER A 65 5.680 7.222 7.577 1.00 0.00 C ATOM 960 OG SER A 65 6.220 5.922 7.417 1.00 0.00 O ATOM 0 H SER A 65 2.922 6.220 7.043 1.00 0.00 H new ATOM 0 HA SER A 65 4.416 7.358 9.276 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.655 7.700 6.598 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.367 7.799 8.196 1.00 0.00 H new ATOM 0 HG SER A 65 6.332 5.729 6.463 1.00 0.00 H new ATOM 966 N PRO A 66 2.434 8.978 8.493 1.00 0.00 N ATOM 967 CA PRO A 66 1.577 10.111 8.156 1.00 0.00 C ATOM 968 C PRO A 66 2.295 11.461 8.150 1.00 0.00 C ATOM 969 O PRO A 66 3.192 11.711 8.951 1.00 0.00 O ATOM 970 CB PRO A 66 0.399 10.081 9.142 1.00 0.00 C ATOM 971 CG PRO A 66 0.795 9.048 10.199 1.00 0.00 C ATOM 972 CD PRO A 66 1.753 8.131 9.450 1.00 0.00 C ATOM 0 HA PRO A 66 1.234 10.007 7.127 1.00 0.00 H new ATOM 0 HB2 PRO A 66 0.234 11.061 9.590 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.528 9.799 8.642 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.275 9.516 11.059 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -0.072 8.504 10.575 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.462 7.662 10.133 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.214 7.327 8.948 1.00 0.00 H new ATOM 980 N GLY A 67 1.900 12.330 7.212 1.00 0.00 N ATOM 981 CA GLY A 67 2.500 13.650 6.971 1.00 0.00 C ATOM 982 C GLY A 67 3.770 13.597 6.114 1.00 0.00 C ATOM 983 O GLY A 67 4.026 14.526 5.355 1.00 0.00 O ATOM 0 H GLY A 67 1.127 12.128 6.578 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.766 14.290 6.480 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.737 14.113 7.929 1.00 0.00 H new ATOM 987 N LEU A 68 4.533 12.506 6.217 1.00 0.00 N ATOM 988 CA LEU A 68 5.702 12.193 5.388 1.00 0.00 C ATOM 989 C LEU A 68 5.283 11.368 4.161 1.00 0.00 C ATOM 990 O LEU A 68 5.724 11.624 3.042 1.00 0.00 O ATOM 991 CB LEU A 68 6.716 11.495 6.320 1.00 0.00 C ATOM 992 CG LEU A 68 7.966 10.858 5.684 1.00 0.00 C ATOM 993 CD1 LEU A 68 8.711 11.780 4.716 1.00 0.00 C ATOM 994 CD2 LEU A 68 8.932 10.472 6.811 1.00 0.00 C ATOM 0 H LEU A 68 4.345 11.783 6.912 1.00 0.00 H new ATOM 0 HA LEU A 68 6.174 13.080 4.965 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.052 12.226 7.055 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.185 10.715 6.866 1.00 0.00 H new ATOM 0 HG LEU A 68 7.623 10.000 5.106 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.578 11.258 4.311 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.046 12.066 3.901 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.040 12.674 5.246 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.826 10.018 6.384 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.210 11.364 7.373 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.447 9.760 7.478 1.00 0.00 H new ATOM 1006 N TYR A 69 4.376 10.408 4.342 1.00 0.00 N ATOM 1007 CA TYR A 69 3.834 9.593 3.262 1.00 0.00 C ATOM 1008 C TYR A 69 2.814 10.335 2.392 1.00 0.00 C ATOM 1009 O TYR A 69 1.614 10.348 2.659 1.00 0.00 O ATOM 1010 CB TYR A 69 3.199 8.299 3.792 1.00 0.00 C ATOM 1011 CG TYR A 69 4.119 7.110 3.919 1.00 0.00 C ATOM 1012 CD1 TYR A 69 5.489 7.225 4.210 1.00 0.00 C ATOM 1013 CD2 TYR A 69 3.566 5.844 3.693 1.00 0.00 C ATOM 1014 CE1 TYR A 69 6.272 6.064 4.346 1.00 0.00 C ATOM 1015 CE2 TYR A 69 4.360 4.697 3.702 1.00 0.00 C ATOM 1016 CZ TYR A 69 5.708 4.796 4.073 1.00 0.00 C ATOM 1017 OH TYR A 69 6.396 3.641 4.232 1.00 0.00 O ATOM 0 H TYR A 69 3.993 10.174 5.258 1.00 0.00 H new ATOM 0 HA TYR A 69 4.691 9.350 2.634 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.768 8.505 4.772 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.375 8.026 3.132 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.939 8.200 4.329 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.506 5.754 3.508 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.303 6.141 4.659 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.940 3.741 3.426 1.00 0.00 H new ATOM 0 HH TYR A 69 7.296 3.839 4.566 1.00 0.00 H new ATOM 1027 N ARG A 70 3.301 10.915 1.299 1.00 0.00 N ATOM 1028 CA ARG A 70 2.469 11.318 0.167 1.00 0.00 C ATOM 1029 C ARG A 70 2.066 9.999 -0.501 1.00 0.00 C ATOM 1030 O ARG A 70 2.994 9.317 -0.929 1.00 0.00 O ATOM 1031 CB ARG A 70 3.330 12.103 -0.821 1.00 0.00 C ATOM 1032 CG ARG A 70 2.869 13.541 -1.013 1.00 0.00 C ATOM 1033 CD ARG A 70 3.699 14.103 -2.153 1.00 0.00 C ATOM 1034 NE ARG A 70 3.179 15.386 -2.641 1.00 0.00 N ATOM 1035 CZ ARG A 70 3.542 15.965 -3.780 1.00 0.00 C ATOM 1036 NH1 ARG A 70 4.527 15.511 -4.525 1.00 0.00 N ATOM 1037 NH2 ARG A 70 2.890 17.027 -4.199 1.00 0.00 N ATOM 0 H ARG A 70 4.292 11.121 1.172 1.00 0.00 H new ATOM 0 HA ARG A 70 1.617 11.928 0.469 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.362 12.104 -0.472 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.320 11.594 -1.785 1.00 0.00 H new ATOM 0 HG2 ARG A 70 1.806 13.581 -1.249 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.015 14.122 -0.102 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.729 14.234 -1.820 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.718 13.386 -2.973 1.00 0.00 H new ATOM 0 HE ARG A 70 2.489 15.868 -2.064 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.046 14.682 -4.235 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.772 15.988 -5.393 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.114 17.398 -3.651 1.00 0.00 H new ATOM 0 HH22 ARG A 70 3.160 17.480 -5.072 1.00 0.00 H new ATOM 1051 N VAL A 71 0.798 9.606 -0.665 1.00 0.00 N ATOM 1052 CA VAL A 71 0.494 8.361 -1.414 1.00 0.00 C ATOM 1053 C VAL A 71 -0.552 8.589 -2.484 1.00 0.00 C ATOM 1054 O VAL A 71 -1.554 9.269 -2.281 1.00 0.00 O ATOM 1055 CB VAL A 71 0.077 7.185 -0.514 1.00 0.00 C ATOM 1056 CG1 VAL A 71 -0.023 5.849 -1.274 1.00 0.00 C ATOM 1057 CG2 VAL A 71 1.088 7.005 0.625 1.00 0.00 C ATOM 0 H VAL A 71 -0.016 10.105 -0.307 1.00 0.00 H new ATOM 0 HA VAL A 71 1.434 8.082 -1.889 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.912 7.437 -0.130 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.321 5.059 -0.584 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.765 5.937 -2.068 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.946 5.604 -1.709 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.782 6.170 1.255 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.074 6.802 0.207 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.128 7.915 1.223 1.00 0.00 H new ATOM 1067 N SER A 72 -0.288 8.015 -3.653 1.00 0.00 N ATOM 1068 CA SER A 72 -1.149 8.109 -4.818 1.00 0.00 C ATOM 1069 C SER A 72 -1.323 6.744 -5.487 1.00 0.00 C ATOM 1070 O SER A 72 -0.491 5.858 -5.334 1.00 0.00 O ATOM 1071 CB SER A 72 -0.525 9.110 -5.781 1.00 0.00 C ATOM 1072 OG SER A 72 -0.417 10.381 -5.159 1.00 0.00 O ATOM 0 H SER A 72 0.551 7.459 -3.817 1.00 0.00 H new ATOM 0 HA SER A 72 -2.142 8.444 -4.520 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.461 8.763 -6.091 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.133 9.188 -6.682 1.00 0.00 H new ATOM 0 HG SER A 72 -0.013 11.018 -5.785 1.00 0.00 H new ATOM 1078 N ILE A 73 -2.410 6.566 -6.233 1.00 0.00 N ATOM 1079 CA ILE A 73 -2.712 5.358 -7.013 1.00 0.00 C ATOM 1080 C ILE A 73 -2.106 5.520 -8.407 1.00 0.00 C ATOM 1081 O ILE A 73 -2.339 6.553 -9.036 1.00 0.00 O ATOM 1082 CB ILE A 73 -4.247 5.167 -7.082 1.00 0.00 C ATOM 1083 CG1 ILE A 73 -4.857 4.993 -5.674 1.00 0.00 C ATOM 1084 CG2 ILE A 73 -4.628 3.961 -7.967 1.00 0.00 C ATOM 1085 CD1 ILE A 73 -6.365 5.257 -5.626 1.00 0.00 C ATOM 0 H ILE A 73 -3.133 7.281 -6.317 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.283 4.472 -6.544 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.657 6.071 -7.531 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.662 3.979 -5.325 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.355 5.670 -4.983 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.713 3.857 -7.993 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.255 4.120 -8.979 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.186 3.054 -7.555 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.727 5.117 -4.607 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.566 6.280 -5.945 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.877 4.563 -6.292 1.00 0.00 H new ATOM 1097 N THR A 74 -1.356 4.524 -8.895 1.00 0.00 N ATOM 1098 CA THR A 74 -0.828 4.507 -10.261 1.00 0.00 C ATOM 1099 C THR A 74 -1.200 3.218 -10.987 1.00 0.00 C ATOM 1100 O THR A 74 -0.702 2.136 -10.700 1.00 0.00 O ATOM 1101 CB THR A 74 0.664 4.835 -10.248 1.00 0.00 C ATOM 1102 OG1 THR A 74 1.065 4.982 -11.583 1.00 0.00 O ATOM 1103 CG2 THR A 74 1.588 3.829 -9.560 1.00 0.00 C ATOM 0 H THR A 74 -1.098 3.703 -8.348 1.00 0.00 H new ATOM 0 HA THR A 74 -1.300 5.292 -10.851 1.00 0.00 H new ATOM 0 HB THR A 74 0.766 5.738 -9.647 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.021 5.196 -11.616 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.618 4.180 -9.621 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.301 3.728 -8.513 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.505 2.861 -10.054 1.00 0.00 H new