USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 579 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= -0.52 K(o=1.2,f=-0.58) USER MOD Set 1.2: A 17 CYS SG : rot 180:sc= 0.421 USER MOD Set 1.3: A 20 ASN :FLIP amide:sc= -0.0249 F(o=0.34,f=1.2) USER MOD Set 1.4: A 69 TYR OH : rot 22:sc= 1.31 USER MOD Set 2.1: A 37 SER OG : rot -142:sc= 1.06 USER MOD Set 2.2: A 40 ASN : amide:sc= 1.07 K(o=2.1,f=-2!) USER MOD Set 3.1: A 3 SER OG : rot -124:sc= 0.121 USER MOD Set 3.2: A 47 TYR OH : rot -165:sc= 0.816 USER MOD Single : A 1 ASN : amide:sc= -0.123 X(o=-0.12,f=-0.12) USER MOD Single : A 1 ASN N :NH3+ -176:sc= -0.356 (180deg=-0.406) USER MOD Single : A 4 THR OG1 : rot 31:sc= 0.807 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -175:sc= -0.685 (180deg=-0.712) USER MOD Single : A 14 CYS SG : rot 37:sc= 0.355 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 81:sc= 0.809 USER MOD Single : A 26 SER OG : rot -47:sc= 0.0126 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 USER MOD Single : A 32 SER OG : rot -39:sc= 0.144 USER MOD Single : A 33 SER OG : rot 53:sc= 1.08 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 170:sc= 0.039 USER MOD Single : A 56 SER OG : rot 180:sc=0.000929 USER MOD Single : A 59 LYS NZ :NH3+ -139:sc= 0.439 (180deg=-0.448!) USER MOD Single : A 65 SER OG : rot 104:sc= 1.63 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 8:sc= 0.245 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -10.536 -14.656 -7.897 1.00 0.00 N ATOM 2 CA ASN A 1 -11.699 -13.743 -7.907 1.00 0.00 C ATOM 3 C ASN A 1 -11.445 -12.448 -7.100 1.00 0.00 C ATOM 4 O ASN A 1 -12.375 -11.700 -6.796 1.00 0.00 O ATOM 5 CB ASN A 1 -13.004 -14.439 -7.463 1.00 0.00 C ATOM 6 CG ASN A 1 -13.196 -15.806 -8.107 1.00 0.00 C ATOM 7 OD1 ASN A 1 -13.462 -15.925 -9.295 1.00 0.00 O ATOM 8 ND2 ASN A 1 -13.013 -16.875 -7.355 1.00 0.00 N ATOM 0 H1 ASN A 1 -10.733 -15.475 -8.506 1.00 0.00 H new ATOM 0 H2 ASN A 1 -9.697 -14.154 -8.252 1.00 0.00 H new ATOM 0 H3 ASN A 1 -10.359 -14.982 -6.925 1.00 0.00 H new ATOM 0 HA ASN A 1 -11.834 -13.448 -8.948 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -12.999 -14.551 -6.379 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -13.853 -13.803 -7.714 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -13.093 -17.806 -7.764 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -12.791 -16.770 -6.365 1.00 0.00 H new ATOM 15 N ASP A 2 -10.187 -12.206 -6.737 1.00 0.00 N ATOM 16 CA ASP A 2 -9.732 -11.123 -5.874 1.00 0.00 C ATOM 17 C ASP A 2 -9.771 -9.761 -6.598 1.00 0.00 C ATOM 18 O ASP A 2 -9.698 -9.670 -7.824 1.00 0.00 O ATOM 19 CB ASP A 2 -8.304 -11.422 -5.345 1.00 0.00 C ATOM 20 CG ASP A 2 -7.899 -12.908 -5.353 1.00 0.00 C ATOM 21 OD1 ASP A 2 -7.675 -13.426 -6.470 1.00 0.00 O ATOM 22 OD2 ASP A 2 -7.816 -13.539 -4.273 1.00 0.00 O ATOM 0 H ASP A 2 -9.417 -12.794 -7.056 1.00 0.00 H new ATOM 0 HA ASP A 2 -10.416 -11.061 -5.028 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.587 -10.863 -5.946 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -8.226 -11.046 -4.325 1.00 0.00 H new ATOM 27 N SER A 3 -9.863 -8.683 -5.823 1.00 0.00 N ATOM 28 CA SER A 3 -9.655 -7.322 -6.308 1.00 0.00 C ATOM 29 C SER A 3 -8.200 -6.903 -6.085 1.00 0.00 C ATOM 30 O SER A 3 -7.401 -7.612 -5.468 1.00 0.00 O ATOM 31 CB SER A 3 -10.598 -6.337 -5.608 1.00 0.00 C ATOM 32 OG SER A 3 -10.766 -5.163 -6.383 1.00 0.00 O ATOM 0 H SER A 3 -10.087 -8.731 -4.829 1.00 0.00 H new ATOM 0 HA SER A 3 -9.875 -7.304 -7.375 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.566 -6.810 -5.441 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.197 -6.077 -4.628 1.00 0.00 H new ATOM 0 HG SER A 3 -10.519 -4.380 -5.848 1.00 0.00 H new ATOM 38 N THR A 4 -7.830 -5.726 -6.582 1.00 0.00 N ATOM 39 CA THR A 4 -6.435 -5.277 -6.643 1.00 0.00 C ATOM 40 C THR A 4 -6.369 -3.790 -6.911 1.00 0.00 C ATOM 41 O THR A 4 -7.206 -3.235 -7.618 1.00 0.00 O ATOM 42 CB THR A 4 -5.649 -6.094 -7.687 1.00 0.00 C ATOM 43 OG1 THR A 4 -5.280 -7.300 -7.086 1.00 0.00 O ATOM 44 CG2 THR A 4 -4.320 -5.502 -8.169 1.00 0.00 C ATOM 0 H THR A 4 -8.493 -5.048 -6.958 1.00 0.00 H new ATOM 0 HA THR A 4 -5.962 -5.452 -5.676 1.00 0.00 H new ATOM 0 HB THR A 4 -6.320 -6.151 -8.544 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.952 -7.552 -6.419 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.867 -6.172 -8.900 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.500 -4.531 -8.630 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.646 -5.382 -7.321 1.00 0.00 H new ATOM 52 N ALA A 5 -5.328 -3.165 -6.365 1.00 0.00 N ATOM 53 CA ALA A 5 -4.923 -1.798 -6.642 1.00 0.00 C ATOM 54 C ALA A 5 -3.403 -1.626 -6.458 1.00 0.00 C ATOM 55 O ALA A 5 -2.734 -2.474 -5.852 1.00 0.00 O ATOM 56 CB ALA A 5 -5.704 -0.856 -5.720 1.00 0.00 C ATOM 0 H ALA A 5 -4.719 -3.623 -5.687 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.148 -1.554 -7.680 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.409 0.174 -5.918 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.772 -0.969 -5.904 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.487 -1.102 -4.680 1.00 0.00 H new ATOM 62 N THR A 6 -2.873 -0.505 -6.956 1.00 0.00 N ATOM 63 CA THR A 6 -1.447 -0.165 -6.934 1.00 0.00 C ATOM 64 C THR A 6 -1.273 1.273 -6.480 1.00 0.00 C ATOM 65 O THR A 6 -2.068 2.149 -6.816 1.00 0.00 O ATOM 66 CB THR A 6 -0.839 -0.368 -8.320 1.00 0.00 C ATOM 67 OG1 THR A 6 -1.005 -1.725 -8.670 1.00 0.00 O ATOM 68 CG2 THR A 6 0.652 -0.045 -8.380 1.00 0.00 C ATOM 0 H THR A 6 -3.443 0.215 -7.400 1.00 0.00 H new ATOM 0 HA THR A 6 -0.930 -0.820 -6.233 1.00 0.00 H new ATOM 0 HB THR A 6 -1.347 0.312 -9.004 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.624 -1.883 -9.559 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.020 -0.211 -9.393 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.810 0.997 -8.103 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.192 -0.691 -7.688 1.00 0.00 H new ATOM 76 N PHE A 7 -0.209 1.497 -5.713 1.00 0.00 N ATOM 77 CA PHE A 7 0.063 2.733 -4.982 1.00 0.00 C ATOM 78 C PHE A 7 1.555 3.070 -4.975 1.00 0.00 C ATOM 79 O PHE A 7 2.409 2.184 -4.949 1.00 0.00 O ATOM 80 CB PHE A 7 -0.427 2.599 -3.532 1.00 0.00 C ATOM 81 CG PHE A 7 -1.869 2.127 -3.387 1.00 0.00 C ATOM 82 CD1 PHE A 7 -2.905 3.082 -3.345 1.00 0.00 C ATOM 83 CD2 PHE A 7 -2.194 0.750 -3.376 1.00 0.00 C ATOM 84 CE1 PHE A 7 -4.245 2.667 -3.337 1.00 0.00 C ATOM 85 CE2 PHE A 7 -3.533 0.346 -3.363 1.00 0.00 C ATOM 86 CZ PHE A 7 -4.559 1.302 -3.360 1.00 0.00 C ATOM 0 H PHE A 7 0.517 0.794 -5.578 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.469 3.538 -5.489 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.224 1.901 -3.006 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -0.324 3.565 -3.037 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -2.667 4.135 -3.319 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -1.407 0.010 -3.378 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -5.036 3.402 -3.313 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -3.778 -0.706 -3.355 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.592 0.986 -3.375 1.00 0.00 H new ATOM 96 N ILE A 8 1.888 4.357 -4.935 1.00 0.00 N ATOM 97 CA ILE A 8 3.251 4.874 -4.898 1.00 0.00 C ATOM 98 C ILE A 8 3.395 5.952 -3.836 1.00 0.00 C ATOM 99 O ILE A 8 2.501 6.774 -3.677 1.00 0.00 O ATOM 100 CB ILE A 8 3.640 5.351 -6.311 1.00 0.00 C ATOM 101 CG1 ILE A 8 5.162 5.554 -6.366 1.00 0.00 C ATOM 102 CG2 ILE A 8 2.895 6.611 -6.779 1.00 0.00 C ATOM 103 CD1 ILE A 8 5.742 5.379 -7.769 1.00 0.00 C ATOM 0 H ILE A 8 1.187 5.098 -4.927 1.00 0.00 H new ATOM 0 HA ILE A 8 3.947 4.087 -4.609 1.00 0.00 H new ATOM 0 HB ILE A 8 3.333 4.573 -7.009 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.402 6.553 -6.003 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.641 4.845 -5.691 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.227 6.879 -7.782 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.823 6.416 -6.792 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.106 7.433 -6.095 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.820 5.535 -7.739 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.531 4.371 -8.127 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.289 6.105 -8.443 1.00 0.00 H new ATOM 115 N ILE A 9 4.498 5.878 -3.091 1.00 0.00 N ATOM 116 CA ILE A 9 4.807 6.651 -1.901 1.00 0.00 C ATOM 117 C ILE A 9 6.018 7.545 -2.170 1.00 0.00 C ATOM 118 O ILE A 9 7.167 7.197 -1.906 1.00 0.00 O ATOM 119 CB ILE A 9 5.093 5.723 -0.701 1.00 0.00 C ATOM 120 CG1 ILE A 9 4.069 4.598 -0.427 1.00 0.00 C ATOM 121 CG2 ILE A 9 5.167 6.624 0.547 1.00 0.00 C ATOM 122 CD1 ILE A 9 4.041 3.376 -1.343 1.00 0.00 C ATOM 0 H ILE A 9 5.249 5.228 -3.325 1.00 0.00 H new ATOM 0 HA ILE A 9 3.944 7.270 -1.655 1.00 0.00 H new ATOM 0 HB ILE A 9 6.015 5.195 -0.943 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.237 4.242 0.590 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.076 5.046 -0.448 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.368 6.012 1.426 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.967 7.354 0.422 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.218 7.144 0.677 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.265 2.688 -1.008 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.829 3.692 -2.365 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.009 2.875 -1.311 1.00 0.00 H new ATOM 134 N ASP A 10 5.748 8.747 -2.642 1.00 0.00 N ATOM 135 CA ASP A 10 6.746 9.778 -2.951 1.00 0.00 C ATOM 136 C ASP A 10 7.279 10.520 -1.693 1.00 0.00 C ATOM 137 O ASP A 10 7.458 11.737 -1.664 1.00 0.00 O ATOM 138 CB ASP A 10 6.095 10.686 -4.004 1.00 0.00 C ATOM 139 CG ASP A 10 6.543 10.349 -5.444 1.00 0.00 C ATOM 140 OD1 ASP A 10 6.918 9.181 -5.725 1.00 0.00 O ATOM 141 OD2 ASP A 10 6.564 11.267 -6.289 1.00 0.00 O ATOM 0 H ASP A 10 4.794 9.053 -2.831 1.00 0.00 H new ATOM 0 HA ASP A 10 7.659 9.338 -3.352 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.011 10.596 -3.935 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.343 11.725 -3.785 1.00 0.00 H new ATOM 146 N GLY A 11 7.478 9.766 -0.609 1.00 0.00 N ATOM 147 CA GLY A 11 7.875 10.257 0.717 1.00 0.00 C ATOM 148 C GLY A 11 8.219 9.128 1.682 1.00 0.00 C ATOM 149 O GLY A 11 7.814 9.144 2.835 1.00 0.00 O ATOM 0 H GLY A 11 7.362 8.753 -0.630 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.737 10.916 0.613 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.065 10.854 1.136 1.00 0.00 H new ATOM 153 N MET A 12 8.904 8.096 1.193 1.00 0.00 N ATOM 154 CA MET A 12 9.204 6.851 1.910 1.00 0.00 C ATOM 155 C MET A 12 10.658 6.819 2.413 1.00 0.00 C ATOM 156 O MET A 12 11.552 7.327 1.747 1.00 0.00 O ATOM 157 CB MET A 12 8.901 5.705 0.925 1.00 0.00 C ATOM 158 CG MET A 12 8.640 4.331 1.528 1.00 0.00 C ATOM 159 SD MET A 12 9.922 3.080 1.260 1.00 0.00 S ATOM 160 CE MET A 12 9.642 2.703 -0.477 1.00 0.00 C ATOM 0 H MET A 12 9.283 8.102 0.246 1.00 0.00 H new ATOM 0 HA MET A 12 8.594 6.757 2.808 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.030 5.987 0.333 1.00 0.00 H new ATOM 0 HB3 MET A 12 9.741 5.619 0.235 1.00 0.00 H new ATOM 0 HG2 MET A 12 8.498 4.450 2.602 1.00 0.00 H new ATOM 0 HG3 MET A 12 7.702 3.952 1.122 1.00 0.00 H new ATOM 0 HE1 MET A 12 10.292 1.883 -0.781 1.00 0.00 H new ATOM 0 HE2 MET A 12 8.601 2.414 -0.623 1.00 0.00 H new ATOM 0 HE3 MET A 12 9.863 3.583 -1.081 1.00 0.00 H new ATOM 170 N HIS A 13 10.936 6.130 3.532 1.00 0.00 N ATOM 171 CA HIS A 13 12.318 5.864 4.005 1.00 0.00 C ATOM 172 C HIS A 13 13.136 4.923 3.075 1.00 0.00 C ATOM 173 O HIS A 13 14.180 4.391 3.458 1.00 0.00 O ATOM 174 CB HIS A 13 12.336 5.342 5.450 1.00 0.00 C ATOM 175 CG HIS A 13 11.571 6.130 6.491 1.00 0.00 C ATOM 176 ND1 HIS A 13 11.323 5.706 7.778 1.00 0.00 N ATOM 177 CD2 HIS A 13 10.984 7.362 6.361 1.00 0.00 C ATOM 178 CE1 HIS A 13 10.579 6.638 8.394 1.00 0.00 C ATOM 179 NE2 HIS A 13 10.344 7.659 7.565 1.00 0.00 N ATOM 0 H HIS A 13 10.215 5.739 4.138 1.00 0.00 H new ATOM 0 HA HIS A 13 12.816 6.833 3.975 1.00 0.00 H new ATOM 0 HB2 HIS A 13 11.944 4.325 5.444 1.00 0.00 H new ATOM 0 HB3 HIS A 13 13.376 5.281 5.772 1.00 0.00 H new ATOM 0 HD1 HIS A 13 11.649 4.833 8.192 1.00 0.00 H new ATOM 0 HD2 HIS A 13 11.012 7.991 5.483 1.00 0.00 H new ATOM 0 HE1 HIS A 13 10.222 6.572 9.411 1.00 0.00 H new ATOM 187 N CYS A 14 12.588 4.627 1.895 1.00 0.00 N ATOM 188 CA CYS A 14 13.211 4.044 0.702 1.00 0.00 C ATOM 189 C CYS A 14 13.348 2.528 0.736 1.00 0.00 C ATOM 190 O CYS A 14 12.890 1.884 -0.199 1.00 0.00 O ATOM 191 CB CYS A 14 14.532 4.752 0.369 1.00 0.00 C ATOM 192 SG CYS A 14 14.176 6.454 -0.156 1.00 0.00 S ATOM 0 H CYS A 14 11.597 4.807 1.734 1.00 0.00 H new ATOM 0 HA CYS A 14 12.515 4.225 -0.117 1.00 0.00 H new ATOM 0 HB2 CYS A 14 15.187 4.756 1.240 1.00 0.00 H new ATOM 0 HB3 CYS A 14 15.057 4.216 -0.422 1.00 0.00 H new ATOM 0 HG CYS A 14 13.189 6.927 0.546 1.00 0.00 H new ATOM 198 N LYS A 15 13.965 1.942 1.768 1.00 0.00 N ATOM 199 CA LYS A 15 14.170 0.483 1.815 1.00 0.00 C ATOM 200 C LYS A 15 13.612 -0.151 3.095 1.00 0.00 C ATOM 201 O LYS A 15 12.658 -0.912 2.996 1.00 0.00 O ATOM 202 CB LYS A 15 15.614 0.126 1.400 1.00 0.00 C ATOM 203 CG LYS A 15 15.724 0.411 -0.116 1.00 0.00 C ATOM 204 CD LYS A 15 16.927 -0.163 -0.866 1.00 0.00 C ATOM 205 CE LYS A 15 16.555 -0.196 -2.366 1.00 0.00 C ATOM 206 NZ LYS A 15 17.720 -0.189 -3.284 1.00 0.00 N ATOM 0 H LYS A 15 14.329 2.446 2.576 1.00 0.00 H new ATOM 0 HA LYS A 15 13.557 -0.006 1.058 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.336 0.721 1.959 1.00 0.00 H new ATOM 0 HB3 LYS A 15 15.831 -0.921 1.614 1.00 0.00 H new ATOM 0 HG2 LYS A 15 14.820 0.033 -0.594 1.00 0.00 H new ATOM 0 HG3 LYS A 15 15.729 1.492 -0.254 1.00 0.00 H new ATOM 0 HD2 LYS A 15 17.812 0.452 -0.702 1.00 0.00 H new ATOM 0 HD3 LYS A 15 17.163 -1.164 -0.506 1.00 0.00 H new ATOM 0 HE2 LYS A 15 15.959 -1.088 -2.561 1.00 0.00 H new ATOM 0 HE3 LYS A 15 15.925 0.664 -2.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 17.386 -0.212 -4.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 18.279 0.674 -3.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 18.312 -1.024 -3.099 1.00 0.00 H new ATOM 220 N SER A 16 14.009 0.245 4.305 1.00 0.00 N ATOM 221 CA SER A 16 13.335 -0.270 5.522 1.00 0.00 C ATOM 222 C SER A 16 11.867 0.165 5.652 1.00 0.00 C ATOM 223 O SER A 16 11.147 -0.429 6.447 1.00 0.00 O ATOM 224 CB SER A 16 14.087 0.126 6.798 1.00 0.00 C ATOM 225 OG SER A 16 15.481 -0.106 6.660 1.00 0.00 O ATOM 0 H SER A 16 14.770 0.901 4.479 1.00 0.00 H new ATOM 0 HA SER A 16 13.348 -1.354 5.404 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.910 1.179 7.017 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.702 -0.444 7.643 1.00 0.00 H new ATOM 0 HG SER A 16 15.939 0.156 7.486 1.00 0.00 H new ATOM 231 N CYS A 17 11.384 1.148 4.875 1.00 0.00 N ATOM 232 CA CYS A 17 9.945 1.409 4.791 1.00 0.00 C ATOM 233 C CYS A 17 9.191 0.322 4.012 1.00 0.00 C ATOM 234 O CYS A 17 8.123 -0.039 4.483 1.00 0.00 O ATOM 235 CB CYS A 17 9.637 2.866 4.398 1.00 0.00 C ATOM 236 SG CYS A 17 9.267 3.762 5.943 1.00 0.00 S ATOM 0 H CYS A 17 11.962 1.765 4.305 1.00 0.00 H new ATOM 0 HA CYS A 17 9.530 1.324 5.795 1.00 0.00 H new ATOM 0 HB2 CYS A 17 10.487 3.316 3.884 1.00 0.00 H new ATOM 0 HB3 CYS A 17 8.790 2.911 3.713 1.00 0.00 H new ATOM 0 HG CYS A 17 8.999 5.005 5.671 1.00 0.00 H new ATOM 242 N VAL A 18 9.754 -0.268 2.953 1.00 0.00 N ATOM 243 CA VAL A 18 9.149 -1.333 2.116 1.00 0.00 C ATOM 244 C VAL A 18 8.531 -2.453 2.973 1.00 0.00 C ATOM 245 O VAL A 18 7.361 -2.795 2.819 1.00 0.00 O ATOM 246 CB VAL A 18 10.230 -1.917 1.165 1.00 0.00 C ATOM 247 CG1 VAL A 18 9.750 -3.079 0.301 1.00 0.00 C ATOM 248 CG2 VAL A 18 10.785 -0.821 0.236 1.00 0.00 C ATOM 0 H VAL A 18 10.688 -0.011 2.633 1.00 0.00 H new ATOM 0 HA VAL A 18 8.342 -0.890 1.532 1.00 0.00 H new ATOM 0 HB VAL A 18 11.003 -2.305 1.828 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.568 -3.424 -0.331 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.417 -3.895 0.942 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.922 -2.749 -0.326 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.541 -1.250 -0.422 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.974 -0.407 -0.364 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.234 -0.029 0.835 1.00 0.00 H new ATOM 258 N SER A 19 9.309 -2.933 3.942 1.00 0.00 N ATOM 259 CA SER A 19 8.931 -3.989 4.889 1.00 0.00 C ATOM 260 C SER A 19 7.758 -3.586 5.809 1.00 0.00 C ATOM 261 O SER A 19 6.801 -4.346 5.977 1.00 0.00 O ATOM 262 CB SER A 19 10.207 -4.300 5.686 1.00 0.00 C ATOM 263 OG SER A 19 10.030 -5.332 6.638 1.00 0.00 O ATOM 0 H SER A 19 10.256 -2.586 4.098 1.00 0.00 H new ATOM 0 HA SER A 19 8.560 -4.867 4.359 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.000 -4.584 4.994 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.539 -3.396 6.197 1.00 0.00 H new ATOM 0 HG SER A 19 10.873 -5.487 7.113 1.00 0.00 H new ATOM 269 N ASN A 20 7.739 -2.354 6.336 1.00 0.00 N ATOM 270 CA ASN A 20 6.556 -1.846 7.053 1.00 0.00 C ATOM 271 C ASN A 20 5.295 -1.821 6.185 1.00 0.00 C ATOM 272 O ASN A 20 4.190 -1.998 6.701 1.00 0.00 O ATOM 273 CB ASN A 20 6.774 -0.409 7.503 1.00 0.00 C ATOM 274 CG ASN A 20 7.953 -0.250 8.436 1.00 0.00 C ATOM 275 OD1 ASN A 20 8.782 0.731 8.159 1.00 0.00 O flip ATOM 276 ND2 ASN A 20 8.180 -1.017 9.356 1.00 0.00 N flip ATOM 0 H ASN A 20 8.517 -1.697 6.282 1.00 0.00 H new ATOM 0 HA ASN A 20 6.420 -2.528 7.892 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.925 0.221 6.626 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.873 -0.050 8.001 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.529 -1.775 9.561 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.021 -0.901 9.921 1.00 0.00 H new ATOM 283 N ILE A 21 5.444 -1.540 4.885 1.00 0.00 N ATOM 284 CA ILE A 21 4.306 -1.423 3.963 1.00 0.00 C ATOM 285 C ILE A 21 3.720 -2.811 3.693 1.00 0.00 C ATOM 286 O ILE A 21 2.502 -2.956 3.772 1.00 0.00 O ATOM 287 CB ILE A 21 4.657 -0.649 2.670 1.00 0.00 C ATOM 288 CG1 ILE A 21 5.691 0.496 2.896 1.00 0.00 C ATOM 289 CG2 ILE A 21 3.332 -0.190 2.022 1.00 0.00 C ATOM 290 CD1 ILE A 21 5.574 1.699 1.950 1.00 0.00 C ATOM 0 H ILE A 21 6.351 -1.388 4.444 1.00 0.00 H new ATOM 0 HA ILE A 21 3.536 -0.818 4.442 1.00 0.00 H new ATOM 0 HB ILE A 21 5.179 -1.307 1.975 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.591 0.853 3.921 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.693 0.079 2.800 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.546 0.360 1.106 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.721 -1.061 1.787 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.793 0.456 2.715 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.341 2.433 2.198 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.709 1.367 0.921 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.589 2.153 2.059 1.00 0.00 H new ATOM 302 N GLU A 22 4.572 -3.826 3.506 1.00 0.00 N ATOM 303 CA GLU A 22 4.167 -5.233 3.501 1.00 0.00 C ATOM 304 C GLU A 22 3.370 -5.551 4.773 1.00 0.00 C ATOM 305 O GLU A 22 2.230 -6.000 4.697 1.00 0.00 O ATOM 306 CB GLU A 22 5.415 -6.133 3.408 1.00 0.00 C ATOM 307 CG GLU A 22 5.927 -6.253 1.974 1.00 0.00 C ATOM 308 CD GLU A 22 7.292 -6.950 1.886 1.00 0.00 C ATOM 309 OE1 GLU A 22 8.201 -6.549 2.651 1.00 0.00 O ATOM 310 OE2 GLU A 22 7.407 -7.872 1.050 1.00 0.00 O ATOM 0 H GLU A 22 5.571 -3.690 3.353 1.00 0.00 H new ATOM 0 HA GLU A 22 3.532 -5.423 2.636 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.203 -5.727 4.042 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.176 -7.125 3.792 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.202 -6.808 1.379 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.003 -5.258 1.536 1.00 0.00 H new ATOM 317 N SER A 23 3.921 -5.273 5.954 1.00 0.00 N ATOM 318 CA SER A 23 3.262 -5.669 7.204 1.00 0.00 C ATOM 319 C SER A 23 1.977 -4.907 7.552 1.00 0.00 C ATOM 320 O SER A 23 1.067 -5.503 8.131 1.00 0.00 O ATOM 321 CB SER A 23 4.238 -5.496 8.365 1.00 0.00 C ATOM 322 OG SER A 23 3.661 -5.996 9.564 1.00 0.00 O ATOM 0 H SER A 23 4.808 -4.783 6.075 1.00 0.00 H new ATOM 0 HA SER A 23 2.967 -6.706 7.044 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.167 -6.024 8.151 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.490 -4.442 8.485 1.00 0.00 H new ATOM 0 HG SER A 23 4.294 -5.883 10.304 1.00 0.00 H new ATOM 328 N THR A 24 1.924 -3.597 7.286 1.00 0.00 N ATOM 329 CA THR A 24 0.801 -2.734 7.676 1.00 0.00 C ATOM 330 C THR A 24 -0.390 -2.972 6.776 1.00 0.00 C ATOM 331 O THR A 24 -1.527 -2.971 7.241 1.00 0.00 O ATOM 332 CB THR A 24 1.206 -1.254 7.705 1.00 0.00 C ATOM 333 OG1 THR A 24 2.281 -1.141 8.600 1.00 0.00 O ATOM 334 CG2 THR A 24 0.078 -0.354 8.209 1.00 0.00 C ATOM 0 H THR A 24 2.665 -3.101 6.790 1.00 0.00 H new ATOM 0 HA THR A 24 0.511 -2.999 8.693 1.00 0.00 H new ATOM 0 HB THR A 24 1.458 -0.939 6.692 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.111 -1.402 8.149 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.413 0.683 8.211 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.788 -0.454 7.554 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.197 -0.648 9.222 1.00 0.00 H new ATOM 342 N LEU A 25 -0.128 -3.207 5.491 1.00 0.00 N ATOM 343 CA LEU A 25 -1.161 -3.629 4.567 1.00 0.00 C ATOM 344 C LEU A 25 -1.574 -5.075 4.765 1.00 0.00 C ATOM 345 O LEU A 25 -2.762 -5.311 4.918 1.00 0.00 O ATOM 346 CB LEU A 25 -0.734 -3.357 3.132 1.00 0.00 C ATOM 347 CG LEU A 25 -0.488 -1.864 2.822 1.00 0.00 C ATOM 348 CD1 LEU A 25 -0.705 -1.657 1.330 1.00 0.00 C ATOM 349 CD2 LEU A 25 -1.430 -0.882 3.530 1.00 0.00 C ATOM 0 H LEU A 25 0.797 -3.110 5.072 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.049 -3.034 4.782 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.178 -3.916 2.923 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.502 -3.736 2.457 1.00 0.00 H new ATOM 0 HG LEU A 25 0.522 -1.654 3.173 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.538 -0.609 1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.006 -2.279 0.771 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.726 -1.934 1.069 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.173 0.138 3.245 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.459 -1.092 3.240 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.328 -0.994 4.609 1.00 0.00 H new ATOM 361 N SER A 26 -0.651 -6.039 4.808 1.00 0.00 N ATOM 362 CA SER A 26 -1.012 -7.474 4.769 1.00 0.00 C ATOM 363 C SER A 26 -1.672 -7.989 6.070 1.00 0.00 C ATOM 364 O SER A 26 -1.856 -9.188 6.274 1.00 0.00 O ATOM 365 CB SER A 26 0.220 -8.292 4.368 1.00 0.00 C ATOM 366 OG SER A 26 -0.130 -9.532 3.780 1.00 0.00 O ATOM 0 H SER A 26 0.351 -5.861 4.870 1.00 0.00 H new ATOM 0 HA SER A 26 -1.787 -7.602 4.013 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.824 -7.716 3.666 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.838 -8.471 5.248 1.00 0.00 H new ATOM 0 HG SER A 26 -0.817 -9.970 4.325 1.00 0.00 H new ATOM 372 N ALA A 27 -2.056 -7.062 6.950 1.00 0.00 N ATOM 373 CA ALA A 27 -2.825 -7.305 8.169 1.00 0.00 C ATOM 374 C ALA A 27 -4.272 -6.775 8.073 1.00 0.00 C ATOM 375 O ALA A 27 -5.036 -6.894 9.035 1.00 0.00 O ATOM 376 CB ALA A 27 -2.058 -6.648 9.327 1.00 0.00 C ATOM 0 H ALA A 27 -1.828 -6.076 6.825 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.926 -8.378 8.332 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.600 -6.807 10.259 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.066 -7.092 9.404 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.963 -5.578 9.140 1.00 0.00 H new ATOM 382 N LEU A 28 -4.667 -6.145 6.956 1.00 0.00 N ATOM 383 CA LEU A 28 -5.937 -5.430 6.878 1.00 0.00 C ATOM 384 C LEU A 28 -7.113 -6.390 6.710 1.00 0.00 C ATOM 385 O LEU A 28 -7.108 -7.279 5.857 1.00 0.00 O ATOM 386 CB LEU A 28 -5.915 -4.393 5.749 1.00 0.00 C ATOM 387 CG LEU A 28 -4.921 -3.243 5.976 1.00 0.00 C ATOM 388 CD1 LEU A 28 -4.663 -2.493 4.667 1.00 0.00 C ATOM 389 CD2 LEU A 28 -5.450 -2.247 7.009 1.00 0.00 C ATOM 0 H LEU A 28 -4.119 -6.120 6.096 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.073 -4.903 7.823 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.667 -4.895 4.814 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.916 -3.977 5.632 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.995 -3.685 6.344 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.957 -1.682 4.845 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.248 -3.180 3.930 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.600 -2.082 4.292 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.724 -1.446 7.147 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.393 -1.826 6.659 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.611 -2.758 7.958 1.00 0.00 H new ATOM 401 N GLN A 29 -8.163 -6.146 7.492 1.00 0.00 N ATOM 402 CA GLN A 29 -9.394 -6.934 7.531 1.00 0.00 C ATOM 403 C GLN A 29 -10.249 -6.630 6.296 1.00 0.00 C ATOM 404 O GLN A 29 -11.258 -5.942 6.374 1.00 0.00 O ATOM 405 CB GLN A 29 -10.130 -6.664 8.851 1.00 0.00 C ATOM 406 CG GLN A 29 -9.313 -7.137 10.062 1.00 0.00 C ATOM 407 CD GLN A 29 -10.042 -6.826 11.359 1.00 0.00 C ATOM 408 OE1 GLN A 29 -10.675 -7.673 11.959 1.00 0.00 O ATOM 409 NE2 GLN A 29 -10.016 -5.598 11.833 1.00 0.00 N ATOM 0 H GLN A 29 -8.180 -5.361 8.143 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.166 -7.999 7.499 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -10.333 -5.597 8.943 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -11.094 -7.172 8.841 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.133 -8.210 9.989 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.338 -6.650 10.062 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.490 -4.874 11.344 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.521 -5.371 12.689 1.00 0.00 H new ATOM 418 N TYR A 30 -9.766 -7.141 5.164 1.00 0.00 N ATOM 419 CA TYR A 30 -10.219 -6.996 3.778 1.00 0.00 C ATOM 420 C TYR A 30 -9.139 -7.326 2.739 1.00 0.00 C ATOM 421 O TYR A 30 -9.520 -7.594 1.608 1.00 0.00 O ATOM 422 CB TYR A 30 -10.846 -5.627 3.442 1.00 0.00 C ATOM 423 CG TYR A 30 -10.101 -4.355 3.844 1.00 0.00 C ATOM 424 CD1 TYR A 30 -8.780 -4.096 3.418 1.00 0.00 C ATOM 425 CD2 TYR A 30 -10.777 -3.374 4.597 1.00 0.00 C ATOM 426 CE1 TYR A 30 -8.175 -2.865 3.715 1.00 0.00 C ATOM 427 CE2 TYR A 30 -10.166 -2.142 4.908 1.00 0.00 C ATOM 428 CZ TYR A 30 -8.857 -1.877 4.457 1.00 0.00 C ATOM 429 OH TYR A 30 -8.263 -0.686 4.754 1.00 0.00 O ATOM 0 H TYR A 30 -8.943 -7.743 5.201 1.00 0.00 H new ATOM 0 HA TYR A 30 -11.010 -7.743 3.712 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -11.001 -5.591 2.364 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -11.831 -5.593 3.907 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -8.235 -4.845 2.863 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -11.782 -3.570 4.942 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.170 -2.670 3.370 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.699 -1.404 5.490 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.884 -0.130 5.270 1.00 0.00 H new ATOM 439 N VAL A 31 -7.833 -7.311 3.044 1.00 0.00 N ATOM 440 CA VAL A 31 -6.797 -7.613 2.032 1.00 0.00 C ATOM 441 C VAL A 31 -6.480 -9.112 2.047 1.00 0.00 C ATOM 442 O VAL A 31 -6.510 -9.732 3.106 1.00 0.00 O ATOM 443 CB VAL A 31 -5.544 -6.722 2.151 1.00 0.00 C ATOM 444 CG1 VAL A 31 -4.676 -7.116 3.301 1.00 0.00 C ATOM 445 CG2 VAL A 31 -4.640 -6.745 0.907 1.00 0.00 C ATOM 0 H VAL A 31 -7.467 -7.096 3.971 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.203 -7.363 1.052 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.959 -5.723 2.286 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.807 -6.459 3.343 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.241 -7.030 4.229 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.346 -8.147 3.171 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.781 -6.094 1.069 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.295 -7.763 0.727 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.203 -6.394 0.042 1.00 0.00 H new ATOM 455 N SER A 32 -6.194 -9.700 0.886 1.00 0.00 N ATOM 456 CA SER A 32 -5.882 -11.134 0.764 1.00 0.00 C ATOM 457 C SER A 32 -4.441 -11.416 0.302 1.00 0.00 C ATOM 458 O SER A 32 -4.022 -12.571 0.307 1.00 0.00 O ATOM 459 CB SER A 32 -6.883 -11.789 -0.196 1.00 0.00 C ATOM 460 OG SER A 32 -6.912 -13.185 0.028 1.00 0.00 O ATOM 0 H SER A 32 -6.171 -9.199 -0.002 1.00 0.00 H new ATOM 0 HA SER A 32 -5.967 -11.564 1.762 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.876 -11.366 -0.046 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.601 -11.582 -1.228 1.00 0.00 H new ATOM 0 HG SER A 32 -6.003 -13.508 0.198 1.00 0.00 H new ATOM 466 N SER A 33 -3.677 -10.392 -0.093 1.00 0.00 N ATOM 467 CA SER A 33 -2.315 -10.466 -0.635 1.00 0.00 C ATOM 468 C SER A 33 -1.745 -9.090 -1.015 1.00 0.00 C ATOM 469 O SER A 33 -2.422 -8.062 -1.023 1.00 0.00 O ATOM 470 CB SER A 33 -2.249 -11.414 -1.843 1.00 0.00 C ATOM 471 OG SER A 33 -1.943 -12.719 -1.414 1.00 0.00 O ATOM 0 H SER A 33 -4.013 -9.430 -0.040 1.00 0.00 H new ATOM 0 HA SER A 33 -1.694 -10.863 0.167 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.202 -11.410 -2.371 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.493 -11.067 -2.547 1.00 0.00 H new ATOM 0 HG SER A 33 -2.577 -12.992 -0.718 1.00 0.00 H new ATOM 477 N ILE A 34 -0.468 -9.081 -1.370 1.00 0.00 N ATOM 478 CA ILE A 34 0.378 -7.907 -1.604 1.00 0.00 C ATOM 479 C ILE A 34 1.723 -8.338 -2.202 1.00 0.00 C ATOM 480 O ILE A 34 2.160 -9.462 -1.973 1.00 0.00 O ATOM 481 CB ILE A 34 0.552 -7.081 -0.297 1.00 0.00 C ATOM 482 CG1 ILE A 34 1.376 -5.796 -0.535 1.00 0.00 C ATOM 483 CG2 ILE A 34 1.175 -7.907 0.846 1.00 0.00 C ATOM 484 CD1 ILE A 34 1.227 -4.770 0.587 1.00 0.00 C ATOM 0 H ILE A 34 0.045 -9.951 -1.513 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.110 -7.254 -2.327 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.454 -6.795 0.011 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.428 -6.061 -0.639 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.067 -5.343 -1.477 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.274 -7.283 1.734 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.533 -8.759 1.071 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.159 -8.264 0.542 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.831 -3.891 0.359 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.181 -4.478 0.677 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.563 -5.207 1.527 1.00 0.00 H new ATOM 496 N VAL A 35 2.340 -7.437 -2.963 1.00 0.00 N ATOM 497 CA VAL A 35 3.719 -7.451 -3.468 1.00 0.00 C ATOM 498 C VAL A 35 4.227 -6.011 -3.392 1.00 0.00 C ATOM 499 O VAL A 35 3.450 -5.067 -3.533 1.00 0.00 O ATOM 500 CB VAL A 35 3.788 -7.965 -4.926 1.00 0.00 C ATOM 501 CG1 VAL A 35 5.114 -7.667 -5.653 1.00 0.00 C ATOM 502 CG2 VAL A 35 3.595 -9.486 -4.949 1.00 0.00 C ATOM 0 H VAL A 35 1.846 -6.600 -3.272 1.00 0.00 H new ATOM 0 HA VAL A 35 4.332 -8.126 -2.870 1.00 0.00 H new ATOM 0 HB VAL A 35 2.996 -7.429 -5.449 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.070 -8.064 -6.667 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.274 -6.589 -5.692 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.937 -8.137 -5.115 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.644 -9.844 -5.978 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.381 -9.961 -4.362 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.623 -9.736 -4.524 1.00 0.00 H new ATOM 512 N VAL A 36 5.529 -5.828 -3.208 1.00 0.00 N ATOM 513 CA VAL A 36 6.152 -4.495 -3.165 1.00 0.00 C ATOM 514 C VAL A 36 7.530 -4.512 -3.838 1.00 0.00 C ATOM 515 O VAL A 36 8.203 -5.543 -3.876 1.00 0.00 O ATOM 516 CB VAL A 36 6.191 -3.977 -1.705 1.00 0.00 C ATOM 517 CG1 VAL A 36 7.188 -4.778 -0.868 1.00 0.00 C ATOM 518 CG2 VAL A 36 6.471 -2.469 -1.601 1.00 0.00 C ATOM 0 H VAL A 36 6.190 -6.595 -3.084 1.00 0.00 H new ATOM 0 HA VAL A 36 5.548 -3.792 -3.738 1.00 0.00 H new ATOM 0 HB VAL A 36 5.190 -4.129 -1.301 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.197 -4.395 0.152 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.895 -5.828 -0.859 1.00 0.00 H new ATOM 0 HG13 VAL A 36 8.184 -4.683 -1.300 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.485 -2.173 -0.552 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.437 -2.246 -2.054 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.690 -1.917 -2.124 1.00 0.00 H new ATOM 528 N SER A 37 7.937 -3.373 -4.399 1.00 0.00 N ATOM 529 CA SER A 37 9.274 -3.191 -4.959 1.00 0.00 C ATOM 530 C SER A 37 10.292 -2.841 -3.864 1.00 0.00 C ATOM 531 O SER A 37 10.056 -1.967 -3.038 1.00 0.00 O ATOM 532 CB SER A 37 9.267 -2.073 -6.006 1.00 0.00 C ATOM 533 OG SER A 37 8.933 -2.553 -7.297 1.00 0.00 O ATOM 0 H SER A 37 7.344 -2.547 -4.478 1.00 0.00 H new ATOM 0 HA SER A 37 9.564 -4.132 -5.425 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.553 -1.304 -5.710 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.249 -1.601 -6.038 1.00 0.00 H new ATOM 0 HG SER A 37 9.473 -2.087 -7.969 1.00 0.00 H new ATOM 539 N LEU A 38 11.476 -3.464 -3.892 1.00 0.00 N ATOM 540 CA LEU A 38 12.563 -3.120 -2.971 1.00 0.00 C ATOM 541 C LEU A 38 13.262 -1.818 -3.367 1.00 0.00 C ATOM 542 O LEU A 38 13.736 -1.084 -2.513 1.00 0.00 O ATOM 543 CB LEU A 38 13.528 -4.319 -2.926 1.00 0.00 C ATOM 544 CG LEU A 38 14.436 -4.465 -1.686 1.00 0.00 C ATOM 545 CD1 LEU A 38 15.703 -3.616 -1.773 1.00 0.00 C ATOM 546 CD2 LEU A 38 13.720 -4.164 -0.364 1.00 0.00 C ATOM 0 H LEU A 38 11.705 -4.212 -4.546 1.00 0.00 H new ATOM 0 HA LEU A 38 12.166 -2.931 -1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.936 -5.229 -3.017 1.00 0.00 H new ATOM 0 HB3 LEU A 38 14.169 -4.267 -3.806 1.00 0.00 H new ATOM 0 HG LEU A 38 14.717 -5.518 -1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 38 16.300 -3.761 -0.873 1.00 0.00 H new ATOM 0 HD12 LEU A 38 16.283 -3.916 -2.646 1.00 0.00 H new ATOM 0 HD13 LEU A 38 15.431 -2.564 -1.863 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.418 -4.286 0.464 1.00 0.00 H new ATOM 0 HD22 LEU A 38 13.348 -3.139 -0.377 1.00 0.00 H new ATOM 0 HD23 LEU A 38 12.884 -4.852 -0.238 1.00 0.00 H new ATOM 558 N GLU A 39 13.365 -1.546 -4.665 1.00 0.00 N ATOM 559 CA GLU A 39 13.937 -0.332 -5.225 1.00 0.00 C ATOM 560 C GLU A 39 12.885 0.774 -5.390 1.00 0.00 C ATOM 561 O GLU A 39 13.057 1.896 -4.919 1.00 0.00 O ATOM 562 CB GLU A 39 14.511 -0.716 -6.593 1.00 0.00 C ATOM 563 CG GLU A 39 15.228 0.456 -7.244 1.00 0.00 C ATOM 564 CD GLU A 39 15.524 0.119 -8.696 1.00 0.00 C ATOM 565 OE1 GLU A 39 14.580 0.271 -9.502 1.00 0.00 O ATOM 566 OE2 GLU A 39 16.665 -0.324 -8.941 1.00 0.00 O ATOM 0 H GLU A 39 13.038 -2.194 -5.382 1.00 0.00 H new ATOM 0 HA GLU A 39 14.702 0.064 -4.557 1.00 0.00 H new ATOM 0 HB2 GLU A 39 15.204 -1.549 -6.477 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.706 -1.059 -7.243 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.611 1.353 -7.185 1.00 0.00 H new ATOM 0 HG3 GLU A 39 16.155 0.671 -6.712 1.00 0.00 H new ATOM 573 N ASN A 40 11.809 0.467 -6.114 1.00 0.00 N ATOM 574 CA ASN A 40 10.783 1.435 -6.483 1.00 0.00 C ATOM 575 C ASN A 40 9.881 1.706 -5.278 1.00 0.00 C ATOM 576 O ASN A 40 9.454 0.773 -4.602 1.00 0.00 O ATOM 577 CB ASN A 40 9.958 0.944 -7.684 1.00 0.00 C ATOM 578 CG ASN A 40 10.832 0.194 -8.672 1.00 0.00 C ATOM 579 OD1 ASN A 40 10.656 -1.004 -8.847 1.00 0.00 O ATOM 580 ND2 ASN A 40 11.839 0.865 -9.199 1.00 0.00 N ATOM 0 H ASN A 40 11.625 -0.473 -6.464 1.00 0.00 H new ATOM 0 HA ASN A 40 11.270 2.363 -6.782 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.155 0.294 -7.337 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.489 1.794 -8.180 1.00 0.00 H new ATOM 0 HD21 ASN A 40 12.520 0.384 -9.787 1.00 0.00 H new ATOM 0 HD22 ASN A 40 11.936 1.864 -9.019 1.00 0.00 H new ATOM 587 N ARG A 41 9.512 2.967 -5.039 1.00 0.00 N ATOM 588 CA ARG A 41 8.738 3.390 -3.864 1.00 0.00 C ATOM 589 C ARG A 41 7.235 3.050 -3.938 1.00 0.00 C ATOM 590 O ARG A 41 6.384 3.856 -3.575 1.00 0.00 O ATOM 591 CB ARG A 41 9.064 4.855 -3.489 1.00 0.00 C ATOM 592 CG ARG A 41 8.615 5.993 -4.426 1.00 0.00 C ATOM 593 CD ARG A 41 9.384 6.157 -5.742 1.00 0.00 C ATOM 594 NE ARG A 41 8.964 7.408 -6.393 1.00 0.00 N ATOM 595 CZ ARG A 41 9.523 8.088 -7.380 1.00 0.00 C ATOM 596 NH1 ARG A 41 10.638 7.707 -7.982 1.00 0.00 N ATOM 597 NH2 ARG A 41 8.914 9.191 -7.744 1.00 0.00 N ATOM 0 H ARG A 41 9.745 3.737 -5.666 1.00 0.00 H new ATOM 0 HA ARG A 41 9.067 2.780 -3.023 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.627 5.047 -2.509 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.146 4.931 -3.377 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.563 5.839 -4.666 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.682 6.931 -3.875 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.457 6.175 -5.551 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.191 5.308 -6.398 1.00 0.00 H new ATOM 0 HE ARG A 41 8.105 7.816 -6.024 1.00 0.00 H new ATOM 0 HH11 ARG A 41 11.109 6.851 -7.689 1.00 0.00 H new ATOM 0 HH12 ARG A 41 11.027 8.269 -8.739 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.058 9.481 -7.271 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.297 9.759 -8.500 1.00 0.00 H new ATOM 611 N SER A 42 6.880 1.868 -4.428 1.00 0.00 N ATOM 612 CA SER A 42 5.509 1.468 -4.780 1.00 0.00 C ATOM 613 C SER A 42 5.158 0.014 -4.434 1.00 0.00 C ATOM 614 O SER A 42 6.014 -0.871 -4.474 1.00 0.00 O ATOM 615 CB SER A 42 5.281 1.656 -6.286 1.00 0.00 C ATOM 616 OG SER A 42 6.407 1.258 -7.051 1.00 0.00 O ATOM 0 H SER A 42 7.561 1.128 -4.600 1.00 0.00 H new ATOM 0 HA SER A 42 4.864 2.110 -4.180 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.411 1.077 -6.595 1.00 0.00 H new ATOM 0 HB3 SER A 42 5.057 2.703 -6.490 1.00 0.00 H new ATOM 0 HG SER A 42 6.219 1.392 -8.003 1.00 0.00 H new ATOM 622 N ALA A 43 3.859 -0.215 -4.199 1.00 0.00 N ATOM 623 CA ALA A 43 3.244 -1.475 -3.760 1.00 0.00 C ATOM 624 C ALA A 43 2.046 -1.848 -4.653 1.00 0.00 C ATOM 625 O ALA A 43 1.277 -0.981 -5.066 1.00 0.00 O ATOM 626 CB ALA A 43 2.802 -1.316 -2.291 1.00 0.00 C ATOM 0 H ALA A 43 3.165 0.523 -4.318 1.00 0.00 H new ATOM 0 HA ALA A 43 3.971 -2.283 -3.843 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.342 -2.243 -1.947 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.670 -1.090 -1.672 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.080 -0.503 -2.214 1.00 0.00 H new ATOM 632 N ILE A 44 1.880 -3.145 -4.915 1.00 0.00 N ATOM 633 CA ILE A 44 0.758 -3.771 -5.630 1.00 0.00 C ATOM 634 C ILE A 44 0.023 -4.620 -4.587 1.00 0.00 C ATOM 635 O ILE A 44 0.616 -5.513 -3.982 1.00 0.00 O ATOM 636 CB ILE A 44 1.284 -4.618 -6.811 1.00 0.00 C ATOM 637 CG1 ILE A 44 2.074 -3.734 -7.808 1.00 0.00 C ATOM 638 CG2 ILE A 44 0.103 -5.315 -7.510 1.00 0.00 C ATOM 639 CD1 ILE A 44 2.804 -4.534 -8.892 1.00 0.00 C ATOM 0 H ILE A 44 2.569 -3.835 -4.615 1.00 0.00 H new ATOM 0 HA ILE A 44 0.081 -3.037 -6.067 1.00 0.00 H new ATOM 0 HB ILE A 44 1.966 -5.378 -6.430 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.387 -3.035 -8.285 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.801 -3.139 -7.256 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.474 -5.912 -8.343 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.410 -5.963 -6.799 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.593 -4.564 -7.884 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.335 -3.850 -9.554 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.517 -5.214 -8.425 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.080 -5.108 -9.470 1.00 0.00 H new ATOM 651 N VAL A 45 -1.253 -4.330 -4.353 1.00 0.00 N ATOM 652 CA VAL A 45 -2.016 -4.835 -3.202 1.00 0.00 C ATOM 653 C VAL A 45 -3.288 -5.530 -3.684 1.00 0.00 C ATOM 654 O VAL A 45 -3.981 -4.985 -4.536 1.00 0.00 O ATOM 655 CB VAL A 45 -2.376 -3.661 -2.269 1.00 0.00 C ATOM 656 CG1 VAL A 45 -2.940 -4.193 -0.943 1.00 0.00 C ATOM 657 CG2 VAL A 45 -1.179 -2.743 -1.960 1.00 0.00 C ATOM 0 H VAL A 45 -1.802 -3.727 -4.966 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.409 -5.556 -2.655 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.121 -3.069 -2.800 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.191 -3.355 -0.292 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.836 -4.781 -1.139 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.194 -4.820 -0.456 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.499 -1.938 -1.299 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.393 -3.321 -1.473 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.796 -2.320 -2.889 1.00 0.00 H new ATOM 667 N VAL A 46 -3.592 -6.708 -3.137 1.00 0.00 N ATOM 668 CA VAL A 46 -4.620 -7.632 -3.636 1.00 0.00 C ATOM 669 C VAL A 46 -5.631 -7.900 -2.516 1.00 0.00 C ATOM 670 O VAL A 46 -5.293 -8.519 -1.512 1.00 0.00 O ATOM 671 CB VAL A 46 -3.948 -8.953 -4.091 1.00 0.00 C ATOM 672 CG1 VAL A 46 -4.940 -9.950 -4.700 1.00 0.00 C ATOM 673 CG2 VAL A 46 -2.773 -8.735 -5.067 1.00 0.00 C ATOM 0 H VAL A 46 -3.115 -7.060 -2.307 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.139 -7.195 -4.489 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.549 -9.381 -3.171 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.410 -10.854 -4.999 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.701 -10.203 -3.962 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.416 -9.503 -5.573 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.348 -9.699 -5.346 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.132 -8.225 -5.961 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.008 -8.127 -4.585 1.00 0.00 H new ATOM 683 N TYR A 47 -6.861 -7.401 -2.642 1.00 0.00 N ATOM 684 CA TYR A 47 -7.874 -7.405 -1.574 1.00 0.00 C ATOM 685 C TYR A 47 -9.188 -8.105 -1.965 1.00 0.00 C ATOM 686 O TYR A 47 -9.404 -8.460 -3.120 1.00 0.00 O ATOM 687 CB TYR A 47 -8.073 -5.968 -1.058 1.00 0.00 C ATOM 688 CG TYR A 47 -8.648 -4.980 -2.052 1.00 0.00 C ATOM 689 CD1 TYR A 47 -7.789 -4.354 -2.974 1.00 0.00 C ATOM 690 CD2 TYR A 47 -10.014 -4.642 -2.023 1.00 0.00 C ATOM 691 CE1 TYR A 47 -8.284 -3.380 -3.859 1.00 0.00 C ATOM 692 CE2 TYR A 47 -10.520 -3.686 -2.927 1.00 0.00 C ATOM 693 CZ TYR A 47 -9.651 -3.033 -3.831 1.00 0.00 C ATOM 694 OH TYR A 47 -10.110 -2.043 -4.647 1.00 0.00 O ATOM 0 H TYR A 47 -7.193 -6.972 -3.506 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.499 -8.017 -0.754 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.730 -6.003 -0.189 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.110 -5.590 -0.715 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.743 -4.623 -3.002 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.673 -5.114 -1.310 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.618 -2.898 -4.560 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.574 -3.452 -2.929 1.00 0.00 H new ATOM 0 HH TYR A 47 -10.999 -1.759 -4.349 1.00 0.00 H new ATOM 704 N ASN A 48 -10.069 -8.368 -0.999 1.00 0.00 N ATOM 705 CA ASN A 48 -11.276 -9.172 -1.202 1.00 0.00 C ATOM 706 C ASN A 48 -12.527 -8.288 -1.123 1.00 0.00 C ATOM 707 O ASN A 48 -12.814 -7.709 -0.075 1.00 0.00 O ATOM 708 CB ASN A 48 -11.311 -10.318 -0.179 1.00 0.00 C ATOM 709 CG ASN A 48 -12.353 -11.353 -0.582 1.00 0.00 C ATOM 710 OD1 ASN A 48 -13.548 -11.145 -0.435 1.00 0.00 O ATOM 711 ND2 ASN A 48 -11.929 -12.457 -1.172 1.00 0.00 N ATOM 0 H ASN A 48 -9.964 -8.026 -0.044 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.260 -9.614 -2.198 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.329 -10.787 -0.114 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.543 -9.924 0.811 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.602 -13.145 -1.510 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.929 -12.621 -1.290 1.00 0.00 H new ATOM 718 N ALA A 49 -13.246 -8.167 -2.245 1.00 0.00 N ATOM 719 CA ALA A 49 -14.391 -7.269 -2.413 1.00 0.00 C ATOM 720 C ALA A 49 -15.013 -7.400 -3.807 1.00 0.00 C ATOM 721 O ALA A 49 -14.297 -7.310 -4.798 1.00 0.00 O ATOM 722 CB ALA A 49 -13.921 -5.819 -2.223 1.00 0.00 C ATOM 0 H ALA A 49 -13.040 -8.708 -3.085 1.00 0.00 H new ATOM 0 HA ALA A 49 -15.143 -7.540 -1.672 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -14.767 -5.143 -2.346 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -13.504 -5.700 -1.223 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -13.158 -5.584 -2.965 1.00 0.00 H new ATOM 728 N SER A 50 -16.338 -7.517 -3.903 1.00 0.00 N ATOM 729 CA SER A 50 -17.034 -7.409 -5.198 1.00 0.00 C ATOM 730 C SER A 50 -16.972 -5.976 -5.758 1.00 0.00 C ATOM 731 O SER A 50 -17.004 -5.787 -6.967 1.00 0.00 O ATOM 732 CB SER A 50 -18.490 -7.875 -5.053 1.00 0.00 C ATOM 733 OG SER A 50 -18.564 -9.117 -4.366 1.00 0.00 O ATOM 0 H SER A 50 -16.953 -7.686 -3.107 1.00 0.00 H new ATOM 0 HA SER A 50 -16.524 -8.057 -5.911 1.00 0.00 H new ATOM 0 HB2 SER A 50 -19.064 -7.122 -4.512 1.00 0.00 H new ATOM 0 HB3 SER A 50 -18.943 -7.974 -6.039 1.00 0.00 H new ATOM 0 HG SER A 50 -19.501 -9.391 -4.285 1.00 0.00 H new ATOM 739 N SER A 51 -16.840 -4.973 -4.883 1.00 0.00 N ATOM 740 CA SER A 51 -16.506 -3.584 -5.206 1.00 0.00 C ATOM 741 C SER A 51 -16.223 -2.812 -3.906 1.00 0.00 C ATOM 742 O SER A 51 -17.104 -2.691 -3.062 1.00 0.00 O ATOM 743 CB SER A 51 -17.593 -2.877 -6.022 1.00 0.00 C ATOM 744 OG SER A 51 -17.066 -1.646 -6.487 1.00 0.00 O ATOM 0 H SER A 51 -16.970 -5.116 -3.882 1.00 0.00 H new ATOM 0 HA SER A 51 -15.616 -3.602 -5.835 1.00 0.00 H new ATOM 0 HB2 SER A 51 -17.904 -3.499 -6.861 1.00 0.00 H new ATOM 0 HB3 SER A 51 -18.477 -2.705 -5.409 1.00 0.00 H new ATOM 0 HG SER A 51 -17.746 -1.177 -7.014 1.00 0.00 H new ATOM 750 N VAL A 52 -14.997 -2.312 -3.732 1.00 0.00 N ATOM 751 CA VAL A 52 -14.528 -1.473 -2.608 1.00 0.00 C ATOM 752 C VAL A 52 -13.445 -0.546 -3.167 1.00 0.00 C ATOM 753 O VAL A 52 -12.698 -0.940 -4.067 1.00 0.00 O ATOM 754 CB VAL A 52 -14.001 -2.307 -1.400 1.00 0.00 C ATOM 755 CG1 VAL A 52 -13.111 -1.503 -0.430 1.00 0.00 C ATOM 756 CG2 VAL A 52 -15.144 -2.904 -0.563 1.00 0.00 C ATOM 0 H VAL A 52 -14.255 -2.488 -4.409 1.00 0.00 H new ATOM 0 HA VAL A 52 -15.365 -0.902 -2.205 1.00 0.00 H new ATOM 0 HB VAL A 52 -13.408 -3.092 -1.869 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.783 -2.150 0.384 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.241 -1.123 -0.965 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -13.680 -0.667 -0.022 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -14.727 -3.476 0.266 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -15.767 -2.100 -0.172 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -15.749 -3.560 -1.189 1.00 0.00 H new ATOM 766 N THR A 53 -13.397 0.690 -2.656 1.00 0.00 N ATOM 767 CA THR A 53 -12.519 1.766 -3.129 1.00 0.00 C ATOM 768 C THR A 53 -11.040 1.499 -2.805 1.00 0.00 C ATOM 769 O THR A 53 -10.749 1.068 -1.691 1.00 0.00 O ATOM 770 CB THR A 53 -12.991 3.119 -2.579 1.00 0.00 C ATOM 771 OG1 THR A 53 -12.195 4.139 -3.124 1.00 0.00 O ATOM 772 CG2 THR A 53 -12.917 3.241 -1.058 1.00 0.00 C ATOM 0 H THR A 53 -13.988 0.978 -1.876 1.00 0.00 H new ATOM 0 HA THR A 53 -12.587 1.797 -4.216 1.00 0.00 H new ATOM 0 HB THR A 53 -14.040 3.204 -2.862 1.00 0.00 H new ATOM 0 HG1 THR A 53 -12.587 5.011 -2.908 1.00 0.00 H new ATOM 0 HG21 THR A 53 -13.269 4.227 -0.755 1.00 0.00 H new ATOM 0 HG22 THR A 53 -13.544 2.476 -0.601 1.00 0.00 H new ATOM 0 HG23 THR A 53 -11.885 3.108 -0.732 1.00 0.00 H new ATOM 780 N PRO A 54 -10.094 1.824 -3.711 1.00 0.00 N ATOM 781 CA PRO A 54 -8.659 1.822 -3.419 1.00 0.00 C ATOM 782 C PRO A 54 -8.246 2.935 -2.439 1.00 0.00 C ATOM 783 O PRO A 54 -7.107 2.940 -1.974 1.00 0.00 O ATOM 784 CB PRO A 54 -7.981 1.997 -4.783 1.00 0.00 C ATOM 785 CG PRO A 54 -9.000 2.799 -5.585 1.00 0.00 C ATOM 786 CD PRO A 54 -10.324 2.228 -5.093 1.00 0.00 C ATOM 0 HA PRO A 54 -8.362 0.899 -2.921 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -7.032 2.527 -4.695 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.767 1.036 -5.252 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -8.921 3.868 -5.389 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -8.872 2.661 -6.659 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.118 2.972 -5.156 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.634 1.379 -5.702 1.00 0.00 H new ATOM 794 N GLU A 55 -9.148 3.869 -2.106 1.00 0.00 N ATOM 795 CA GLU A 55 -8.867 4.979 -1.186 1.00 0.00 C ATOM 796 C GLU A 55 -8.483 4.484 0.224 1.00 0.00 C ATOM 797 O GLU A 55 -7.653 5.106 0.882 1.00 0.00 O ATOM 798 CB GLU A 55 -10.094 5.920 -1.177 1.00 0.00 C ATOM 799 CG GLU A 55 -9.800 7.418 -1.006 1.00 0.00 C ATOM 800 CD GLU A 55 -9.674 7.923 0.429 1.00 0.00 C ATOM 801 OE1 GLU A 55 -10.204 7.305 1.377 1.00 0.00 O ATOM 802 OE2 GLU A 55 -9.049 8.992 0.614 1.00 0.00 O ATOM 0 H GLU A 55 -10.101 3.875 -2.471 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.995 5.533 -1.533 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.638 5.782 -2.112 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.759 5.608 -0.372 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.873 7.647 -1.532 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.593 7.981 -1.498 1.00 0.00 H new ATOM 809 N SER A 56 -9.000 3.329 0.664 1.00 0.00 N ATOM 810 CA SER A 56 -8.724 2.739 1.983 1.00 0.00 C ATOM 811 C SER A 56 -7.326 2.116 2.099 1.00 0.00 C ATOM 812 O SER A 56 -6.658 2.260 3.124 1.00 0.00 O ATOM 813 CB SER A 56 -9.767 1.653 2.264 1.00 0.00 C ATOM 814 OG SER A 56 -9.764 0.691 1.220 1.00 0.00 O ATOM 0 H SER A 56 -9.636 2.765 0.101 1.00 0.00 H new ATOM 0 HA SER A 56 -8.772 3.551 2.708 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.551 1.168 3.216 1.00 0.00 H new ATOM 0 HB3 SER A 56 -10.756 2.102 2.352 1.00 0.00 H new ATOM 0 HG SER A 56 -10.433 0.000 1.410 1.00 0.00 H new ATOM 820 N LEU A 57 -6.858 1.433 1.048 1.00 0.00 N ATOM 821 CA LEU A 57 -5.493 0.911 1.001 1.00 0.00 C ATOM 822 C LEU A 57 -4.486 2.062 0.964 1.00 0.00 C ATOM 823 O LEU A 57 -3.530 2.026 1.734 1.00 0.00 O ATOM 824 CB LEU A 57 -5.297 -0.021 -0.200 1.00 0.00 C ATOM 825 CG LEU A 57 -6.152 -1.304 -0.260 1.00 0.00 C ATOM 826 CD1 LEU A 57 -5.720 -2.098 -1.497 1.00 0.00 C ATOM 827 CD2 LEU A 57 -5.991 -2.230 0.951 1.00 0.00 C ATOM 0 H LEU A 57 -7.411 1.230 0.215 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.321 0.327 1.905 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.491 0.554 -1.106 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.248 -0.316 -0.228 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.193 -0.982 -0.284 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.309 -3.013 -1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.880 -1.495 -2.391 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.663 -2.352 -1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.627 -3.106 0.826 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.951 -2.545 1.032 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.281 -1.698 1.857 1.00 0.00 H new ATOM 839 N ARG A 58 -4.721 3.112 0.156 1.00 0.00 N ATOM 840 CA ARG A 58 -3.930 4.350 0.216 1.00 0.00 C ATOM 841 C ARG A 58 -3.821 4.845 1.658 1.00 0.00 C ATOM 842 O ARG A 58 -2.721 4.983 2.184 1.00 0.00 O ATOM 843 CB ARG A 58 -4.535 5.434 -0.692 1.00 0.00 C ATOM 844 CG ARG A 58 -4.095 6.850 -0.280 1.00 0.00 C ATOM 845 CD ARG A 58 -4.293 7.945 -1.326 1.00 0.00 C ATOM 846 NE ARG A 58 -4.387 9.234 -0.624 1.00 0.00 N ATOM 847 CZ ARG A 58 -5.510 9.732 -0.131 1.00 0.00 C ATOM 848 NH1 ARG A 58 -6.682 9.453 -0.656 1.00 0.00 N ATOM 849 NH2 ARG A 58 -5.448 10.475 0.945 1.00 0.00 N ATOM 0 H ARG A 58 -5.458 3.125 -0.550 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.926 4.132 -0.148 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.237 5.249 -1.724 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.623 5.369 -0.658 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.643 7.131 0.619 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.039 6.817 -0.013 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.461 7.954 -2.030 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.198 7.760 -1.905 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.532 9.779 -0.510 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.744 8.837 -1.466 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.530 9.853 -0.253 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.547 10.660 1.386 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.301 10.869 1.342 1.00 0.00 H new ATOM 863 N LYS A 59 -4.962 5.061 2.307 1.00 0.00 N ATOM 864 CA LYS A 59 -5.053 5.426 3.723 1.00 0.00 C ATOM 865 C LYS A 59 -4.237 4.523 4.664 1.00 0.00 C ATOM 866 O LYS A 59 -3.614 5.036 5.586 1.00 0.00 O ATOM 867 CB LYS A 59 -6.537 5.412 4.121 1.00 0.00 C ATOM 868 CG LYS A 59 -7.116 6.810 4.330 1.00 0.00 C ATOM 869 CD LYS A 59 -7.054 7.696 3.081 1.00 0.00 C ATOM 870 CE LYS A 59 -7.725 9.045 3.348 1.00 0.00 C ATOM 871 NZ LYS A 59 -9.199 8.907 3.368 1.00 0.00 N ATOM 0 H LYS A 59 -5.873 4.986 1.854 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.615 6.418 3.835 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.109 4.900 3.347 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.655 4.836 5.039 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.154 6.720 4.649 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.575 7.300 5.140 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.015 7.851 2.789 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.548 7.196 2.248 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.380 9.445 4.302 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.433 9.760 2.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.630 9.715 2.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.472 8.024 2.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.532 8.885 4.353 1.00 0.00 H new ATOM 885 N ALA A 60 -4.195 3.207 4.442 1.00 0.00 N ATOM 886 CA ALA A 60 -3.427 2.283 5.271 1.00 0.00 C ATOM 887 C ALA A 60 -1.914 2.456 5.067 1.00 0.00 C ATOM 888 O ALA A 60 -1.146 2.378 6.022 1.00 0.00 O ATOM 889 CB ALA A 60 -3.899 0.869 4.948 1.00 0.00 C ATOM 0 H ALA A 60 -4.696 2.753 3.678 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.600 2.493 6.327 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.343 0.153 5.553 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.963 0.781 5.168 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.729 0.661 3.892 1.00 0.00 H new ATOM 895 N ILE A 61 -1.492 2.780 3.838 1.00 0.00 N ATOM 896 CA ILE A 61 -0.115 3.182 3.541 1.00 0.00 C ATOM 897 C ILE A 61 0.192 4.517 4.226 1.00 0.00 C ATOM 898 O ILE A 61 1.106 4.576 5.046 1.00 0.00 O ATOM 899 CB ILE A 61 0.155 3.223 2.014 1.00 0.00 C ATOM 900 CG1 ILE A 61 -0.153 1.892 1.315 1.00 0.00 C ATOM 901 CG2 ILE A 61 1.629 3.552 1.763 1.00 0.00 C ATOM 902 CD1 ILE A 61 -0.016 1.902 -0.214 1.00 0.00 C ATOM 0 H ILE A 61 -2.100 2.770 3.019 1.00 0.00 H new ATOM 0 HA ILE A 61 0.565 2.432 3.943 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.506 3.986 1.604 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.512 1.128 1.717 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.170 1.595 1.569 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.818 3.581 0.690 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.864 4.523 2.199 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.256 2.787 2.221 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.256 0.914 -0.607 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.702 2.637 -0.636 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.007 2.162 -0.486 1.00 0.00 H new ATOM 914 N GLU A 62 -0.607 5.562 3.988 1.00 0.00 N ATOM 915 CA GLU A 62 -0.460 6.864 4.640 1.00 0.00 C ATOM 916 C GLU A 62 -0.393 6.734 6.170 1.00 0.00 C ATOM 917 O GLU A 62 0.300 7.518 6.800 1.00 0.00 O ATOM 918 CB GLU A 62 -1.609 7.822 4.261 1.00 0.00 C ATOM 919 CG GLU A 62 -1.636 8.224 2.777 1.00 0.00 C ATOM 920 CD GLU A 62 -2.776 9.159 2.353 1.00 0.00 C ATOM 921 OE1 GLU A 62 -3.898 9.081 2.901 1.00 0.00 O ATOM 922 OE2 GLU A 62 -2.590 9.913 1.372 1.00 0.00 O ATOM 0 H GLU A 62 -1.384 5.525 3.328 1.00 0.00 H new ATOM 0 HA GLU A 62 0.482 7.279 4.282 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.558 7.350 4.515 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.529 8.724 4.868 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.689 8.706 2.534 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.695 7.316 2.176 1.00 0.00 H new ATOM 929 N ALA A 63 -1.025 5.719 6.775 1.00 0.00 N ATOM 930 CA ALA A 63 -1.080 5.523 8.227 1.00 0.00 C ATOM 931 C ALA A 63 0.159 4.842 8.834 1.00 0.00 C ATOM 932 O ALA A 63 0.218 4.677 10.049 1.00 0.00 O ATOM 933 CB ALA A 63 -2.373 4.770 8.569 1.00 0.00 C ATOM 0 H ALA A 63 -1.523 4.996 6.255 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.080 6.511 8.688 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.430 4.616 9.647 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.232 5.355 8.240 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.376 3.804 8.063 1.00 0.00 H new ATOM 939 N VAL A 64 1.153 4.506 8.008 1.00 0.00 N ATOM 940 CA VAL A 64 2.423 3.890 8.431 1.00 0.00 C ATOM 941 C VAL A 64 3.521 4.937 8.598 1.00 0.00 C ATOM 942 O VAL A 64 4.429 4.774 9.408 1.00 0.00 O ATOM 943 CB VAL A 64 2.865 2.763 7.472 1.00 0.00 C ATOM 944 CG1 VAL A 64 3.758 3.166 6.315 1.00 0.00 C ATOM 945 CG2 VAL A 64 3.654 1.717 8.264 1.00 0.00 C ATOM 0 H VAL A 64 1.100 4.657 7.001 1.00 0.00 H new ATOM 0 HA VAL A 64 2.248 3.433 9.405 1.00 0.00 H new ATOM 0 HB VAL A 64 1.929 2.406 7.043 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.998 2.287 5.717 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.241 3.897 5.694 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.678 3.604 6.701 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.971 0.917 7.595 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.531 2.185 8.711 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.023 1.304 9.051 1.00 0.00 H new ATOM 955 N SER A 65 3.450 6.033 7.840 1.00 0.00 N ATOM 956 CA SER A 65 4.279 7.216 8.074 1.00 0.00 C ATOM 957 C SER A 65 3.536 8.522 7.700 1.00 0.00 C ATOM 958 O SER A 65 3.914 9.210 6.746 1.00 0.00 O ATOM 959 CB SER A 65 5.685 7.060 7.471 1.00 0.00 C ATOM 960 OG SER A 65 6.105 5.715 7.269 1.00 0.00 O ATOM 0 H SER A 65 2.816 6.125 7.046 1.00 0.00 H new ATOM 0 HA SER A 65 4.457 7.306 9.146 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.714 7.582 6.514 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.402 7.555 8.126 1.00 0.00 H new ATOM 0 HG SER A 65 6.050 5.495 6.316 1.00 0.00 H new ATOM 966 N PRO A 66 2.450 8.848 8.434 1.00 0.00 N ATOM 967 CA PRO A 66 1.568 9.976 8.145 1.00 0.00 C ATOM 968 C PRO A 66 2.277 11.329 8.197 1.00 0.00 C ATOM 969 O PRO A 66 3.197 11.545 8.984 1.00 0.00 O ATOM 970 CB PRO A 66 0.405 9.886 9.146 1.00 0.00 C ATOM 971 CG PRO A 66 0.930 8.969 10.251 1.00 0.00 C ATOM 972 CD PRO A 66 1.852 8.033 9.480 1.00 0.00 C ATOM 0 HA PRO A 66 1.206 9.913 7.119 1.00 0.00 H new ATOM 0 HB2 PRO A 66 0.139 10.868 9.537 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.491 9.475 8.680 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.465 9.524 11.021 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.125 8.429 10.749 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.616 7.610 10.132 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.296 7.197 9.056 1.00 0.00 H new ATOM 980 N GLY A 67 1.843 12.230 7.308 1.00 0.00 N ATOM 981 CA GLY A 67 2.428 13.559 7.084 1.00 0.00 C ATOM 982 C GLY A 67 3.686 13.549 6.209 1.00 0.00 C ATOM 983 O GLY A 67 4.036 14.583 5.645 1.00 0.00 O ATOM 0 H GLY A 67 1.044 12.047 6.701 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.679 14.200 6.618 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.673 14.004 8.049 1.00 0.00 H new ATOM 987 N LEU A 68 4.340 12.391 6.082 1.00 0.00 N ATOM 988 CA LEU A 68 5.571 12.179 5.322 1.00 0.00 C ATOM 989 C LEU A 68 5.294 11.416 4.015 1.00 0.00 C ATOM 990 O LEU A 68 5.737 11.829 2.948 1.00 0.00 O ATOM 991 CB LEU A 68 6.535 11.471 6.295 1.00 0.00 C ATOM 992 CG LEU A 68 7.826 10.872 5.716 1.00 0.00 C ATOM 993 CD1 LEU A 68 8.614 11.828 4.816 1.00 0.00 C ATOM 994 CD2 LEU A 68 8.723 10.452 6.884 1.00 0.00 C ATOM 0 H LEU A 68 4.008 11.536 6.528 1.00 0.00 H new ATOM 0 HA LEU A 68 6.026 13.107 4.977 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.815 12.186 7.068 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.985 10.669 6.787 1.00 0.00 H new ATOM 0 HG LEU A 68 7.530 10.031 5.089 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.510 11.327 4.449 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.994 12.127 3.971 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.900 12.712 5.386 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.647 10.023 6.497 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.956 11.324 7.496 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.205 9.710 7.492 1.00 0.00 H new ATOM 1006 N TYR A 69 4.508 10.340 4.068 1.00 0.00 N ATOM 1007 CA TYR A 69 4.175 9.502 2.910 1.00 0.00 C ATOM 1008 C TYR A 69 3.308 10.222 1.850 1.00 0.00 C ATOM 1009 O TYR A 69 2.094 10.370 2.029 1.00 0.00 O ATOM 1010 CB TYR A 69 3.458 8.230 3.417 1.00 0.00 C ATOM 1011 CG TYR A 69 4.322 7.021 3.736 1.00 0.00 C ATOM 1012 CD1 TYR A 69 5.687 7.122 4.071 1.00 0.00 C ATOM 1013 CD2 TYR A 69 3.748 5.744 3.627 1.00 0.00 C ATOM 1014 CE1 TYR A 69 6.445 5.963 4.323 1.00 0.00 C ATOM 1015 CE2 TYR A 69 4.524 4.589 3.747 1.00 0.00 C ATOM 1016 CZ TYR A 69 5.861 4.687 4.163 1.00 0.00 C ATOM 1017 OH TYR A 69 6.520 3.549 4.498 1.00 0.00 O ATOM 0 H TYR A 69 4.075 10.018 4.934 1.00 0.00 H new ATOM 0 HA TYR A 69 5.108 9.252 2.405 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.901 8.493 4.316 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.727 7.933 2.665 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.154 8.094 4.135 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.687 5.653 3.447 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.474 6.050 4.639 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.097 3.623 3.520 1.00 0.00 H new ATOM 0 HH TYR A 69 7.226 3.758 5.144 1.00 0.00 H new ATOM 1027 N ARG A 70 3.863 10.557 0.669 1.00 0.00 N ATOM 1028 CA ARG A 70 3.081 11.037 -0.473 1.00 0.00 C ATOM 1029 C ARG A 70 2.393 9.866 -1.193 1.00 0.00 C ATOM 1030 O ARG A 70 2.918 9.384 -2.193 1.00 0.00 O ATOM 1031 CB ARG A 70 4.051 11.740 -1.414 1.00 0.00 C ATOM 1032 CG ARG A 70 3.381 12.429 -2.600 1.00 0.00 C ATOM 1033 CD ARG A 70 2.596 13.691 -2.245 1.00 0.00 C ATOM 1034 NE ARG A 70 2.009 14.282 -3.461 1.00 0.00 N ATOM 1035 CZ ARG A 70 2.687 14.811 -4.478 1.00 0.00 C ATOM 1036 NH1 ARG A 70 4.001 14.932 -4.457 1.00 0.00 N ATOM 1037 NH2 ARG A 70 2.046 15.230 -5.549 1.00 0.00 N ATOM 0 H ARG A 70 4.865 10.500 0.486 1.00 0.00 H new ATOM 0 HA ARG A 70 2.297 11.718 -0.141 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.616 12.481 -0.849 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.769 11.011 -1.789 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.146 12.687 -3.332 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.706 11.721 -3.080 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.808 13.450 -1.532 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.253 14.413 -1.761 1.00 0.00 H new ATOM 0 HE ARG A 70 0.991 14.286 -3.530 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.529 14.615 -3.644 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.488 15.342 -5.254 1.00 0.00 H new ATOM 0 HH21 ARG A 70 1.030 15.149 -5.600 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.565 15.635 -6.328 1.00 0.00 H new ATOM 1051 N VAL A 71 1.270 9.366 -0.687 1.00 0.00 N ATOM 1052 CA VAL A 71 0.609 8.209 -1.319 1.00 0.00 C ATOM 1053 C VAL A 71 -0.313 8.634 -2.462 1.00 0.00 C ATOM 1054 O VAL A 71 -1.227 9.438 -2.289 1.00 0.00 O ATOM 1055 CB VAL A 71 -0.139 7.300 -0.336 1.00 0.00 C ATOM 1056 CG1 VAL A 71 -0.583 5.989 -1.014 1.00 0.00 C ATOM 1057 CG2 VAL A 71 0.775 6.949 0.843 1.00 0.00 C ATOM 0 H VAL A 71 0.799 9.729 0.142 1.00 0.00 H new ATOM 0 HA VAL A 71 1.425 7.613 -1.728 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.021 7.839 0.009 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.110 5.366 -0.291 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.246 6.217 -1.848 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.293 5.455 -1.382 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.239 6.303 1.539 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.661 6.431 0.475 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.076 7.863 1.355 1.00 0.00 H new ATOM 1067 N SER A 72 -0.112 8.023 -3.625 1.00 0.00 N ATOM 1068 CA SER A 72 -0.981 8.161 -4.800 1.00 0.00 C ATOM 1069 C SER A 72 -1.194 6.808 -5.491 1.00 0.00 C ATOM 1070 O SER A 72 -0.308 5.960 -5.507 1.00 0.00 O ATOM 1071 CB SER A 72 -0.437 9.211 -5.788 1.00 0.00 C ATOM 1072 OG SER A 72 0.974 9.269 -5.843 1.00 0.00 O ATOM 0 H SER A 72 0.680 7.400 -3.786 1.00 0.00 H new ATOM 0 HA SER A 72 -1.951 8.515 -4.450 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.821 8.991 -6.784 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.820 10.192 -5.508 1.00 0.00 H new ATOM 0 HG SER A 72 1.248 9.953 -6.489 1.00 0.00 H new ATOM 1078 N ILE A 73 -2.374 6.592 -6.075 1.00 0.00 N ATOM 1079 CA ILE A 73 -2.641 5.441 -6.949 1.00 0.00 C ATOM 1080 C ILE A 73 -1.864 5.668 -8.246 1.00 0.00 C ATOM 1081 O ILE A 73 -1.983 6.754 -8.814 1.00 0.00 O ATOM 1082 CB ILE A 73 -4.166 5.325 -7.205 1.00 0.00 C ATOM 1083 CG1 ILE A 73 -4.937 5.094 -5.884 1.00 0.00 C ATOM 1084 CG2 ILE A 73 -4.493 4.194 -8.200 1.00 0.00 C ATOM 1085 CD1 ILE A 73 -6.450 5.310 -5.994 1.00 0.00 C ATOM 0 H ILE A 73 -3.176 7.211 -5.957 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.320 4.505 -6.492 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.485 6.271 -7.642 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.751 4.076 -5.541 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.540 5.765 -5.122 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.571 4.145 -8.353 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.000 4.393 -9.152 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.140 3.244 -7.800 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.915 5.128 -5.025 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.649 6.335 -6.305 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.863 4.620 -6.730 1.00 0.00 H new ATOM 1097 N THR A 74 -1.096 4.674 -8.710 1.00 0.00 N ATOM 1098 CA THR A 74 -0.431 4.708 -10.017 1.00 0.00 C ATOM 1099 C THR A 74 -0.969 3.600 -10.922 1.00 0.00 C ATOM 1100 O THR A 74 -0.691 2.419 -10.732 1.00 0.00 O ATOM 1101 CB THR A 74 1.089 4.745 -9.846 1.00 0.00 C ATOM 1102 OG1 THR A 74 1.645 4.938 -11.117 1.00 0.00 O ATOM 1103 CG2 THR A 74 1.748 3.523 -9.204 1.00 0.00 C ATOM 0 H THR A 74 -0.918 3.818 -8.185 1.00 0.00 H new ATOM 0 HA THR A 74 -0.671 5.633 -10.542 1.00 0.00 H new ATOM 0 HB THR A 74 1.284 5.552 -9.140 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.622 4.969 -11.045 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.825 3.680 -9.143 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.345 3.377 -8.202 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.544 2.640 -9.809 1.00 0.00 H new ATOM 1111 N SER A 75 -1.786 4.008 -11.887 1.00 0.00 N ATOM 1112 CA SER A 75 -2.476 3.176 -12.877 1.00 0.00 C ATOM 1113 C SER A 75 -2.913 4.077 -14.046 1.00 0.00 C ATOM 1114 O SER A 75 -3.064 5.285 -13.844 1.00 0.00 O ATOM 1115 CB SER A 75 -3.771 2.574 -12.288 1.00 0.00 C ATOM 1116 OG SER A 75 -3.553 1.621 -11.260 1.00 0.00 O ATOM 0 H SER A 75 -2.001 4.997 -12.010 1.00 0.00 H new ATOM 0 HA SER A 75 -1.798 2.381 -13.187 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.388 3.382 -11.894 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.337 2.103 -13.091 1.00 0.00 H new ATOM 0 HG SER A 75 -2.602 1.605 -11.025 1.00 0.00 H new ATOM 1122 N GLU A 76 -3.156 3.514 -15.238 1.00 0.00 N ATOM 1123 CA GLU A 76 -3.906 4.241 -16.251 1.00 0.00 C ATOM 1124 C GLU A 76 -5.334 4.300 -15.705 1.00 0.00 C ATOM 1125 O GLU A 76 -5.868 3.300 -15.217 1.00 0.00 O ATOM 1126 CB GLU A 76 -3.875 3.559 -17.622 1.00 0.00 C ATOM 1127 CG GLU A 76 -4.272 4.580 -18.698 1.00 0.00 C ATOM 1128 CD GLU A 76 -3.064 5.395 -19.150 1.00 0.00 C ATOM 1129 OE1 GLU A 76 -2.699 6.320 -18.394 1.00 0.00 O ATOM 1130 OE2 GLU A 76 -2.492 5.057 -20.209 1.00 0.00 O ATOM 0 H GLU A 76 -2.850 2.581 -15.513 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.474 5.227 -16.423 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.878 3.167 -17.825 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.560 2.711 -17.636 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.707 4.062 -19.553 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.039 5.247 -18.306 1.00 0.00 H new ATOM 1137 N VAL A 77 -5.895 5.494 -15.739 1.00 0.00 N ATOM 1138 CA VAL A 77 -7.257 5.827 -15.307 1.00 0.00 C ATOM 1139 C VAL A 77 -7.934 6.661 -16.403 1.00 0.00 C ATOM 1140 O VAL A 77 -7.471 6.652 -17.544 1.00 0.00 O ATOM 1141 CB VAL A 77 -7.257 6.485 -13.901 1.00 0.00 C ATOM 1142 CG1 VAL A 77 -6.692 5.545 -12.818 1.00 0.00 C ATOM 1143 CG2 VAL A 77 -6.509 7.829 -13.835 1.00 0.00 C ATOM 0 H VAL A 77 -5.391 6.310 -16.087 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.852 4.923 -15.181 1.00 0.00 H new ATOM 0 HB VAL A 77 -8.310 6.684 -13.703 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.712 6.049 -11.852 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.299 4.641 -12.768 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.665 5.279 -13.067 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.556 8.222 -12.819 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.467 7.680 -14.119 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.974 8.538 -14.520 1.00 0.00 H new TER 1153 VAL A 77