USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 382 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 8 THR OG1 : rot -74:sc= 0.641 USER MOD Single : A 9 SER OG : rot -27:sc= 1.16 USER MOD Single : A 12 SER OG : rot 180:sc= 0.158 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 18 ASN : amide:sc= -0.0358 K(o=-0.036,f=-1.7!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.339 K(o=-0.34,f=-1.8!) USER MOD Single : B 33 ASN : amide:sc= -0.0993 K(o=-0.099,f=-1.5) USER MOD Single : B 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 35 HIS : no HE2:sc= 1.23 K(o=1.2,f=-3.6!) USER MOD Single : B 39 SER OG : rot 180:sc= 0.0316 USER MOD Single : B 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 46 TYR OH : rot 180:sc= 0 USER MOD Single : B 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 56 TYR OH : rot 180:sc= -0.0242 USER MOD Single : B 57 THR OG1 : rot 180:sc= 0 USER MOD Single : B 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.080 1.939 -2.693 1.00 25.00 N ATOM 2 CA GLY A 1 3.000 0.993 -1.559 1.00 25.00 C ATOM 3 C GLY A 1 3.873 -0.214 -1.702 1.00 25.00 C ATOM 4 O GLY A 1 3.554 -1.161 -2.347 1.00 25.00 O ATOM 0 H1 GLY A 1 2.447 2.746 -2.517 1.00 25.00 H new ATOM 0 H2 GLY A 1 4.057 2.280 -2.792 1.00 25.00 H new ATOM 0 H3 GLY A 1 2.791 1.457 -3.568 1.00 25.00 H new ATOM 0 HA2 GLY A 1 3.272 1.518 -0.643 1.00 25.00 H new ATOM 0 HA3 GLY A 1 1.966 0.668 -1.444 1.00 25.00 H new ATOM 9 N ILE A 2 5.074 -0.130 -1.160 1.00 25.00 N ATOM 10 CA ILE A 2 6.104 -1.192 -1.231 1.00 25.00 C ATOM 11 C ILE A 2 5.617 -2.581 -0.767 1.00 25.00 C ATOM 12 O ILE A 2 5.836 -3.565 -1.456 1.00 25.00 O ATOM 13 CB ILE A 2 7.406 -0.742 -0.430 1.00 25.00 C ATOM 14 CG1 ILE A 2 8.406 -1.906 -0.307 1.00 25.00 C ATOM 15 CG2 ILE A 2 7.059 -0.213 1.000 1.00 25.00 C ATOM 16 CD1 ILE A 2 9.696 -1.560 0.597 1.00 25.00 C ATOM 0 H ILE A 2 5.384 0.692 -0.642 1.00 25.00 H new ATOM 0 HA ILE A 2 6.345 -1.315 -2.287 1.00 25.00 H new ATOM 0 HB ILE A 2 7.858 0.070 -1.000 1.00 25.00 H new ATOM 0 HG12 ILE A 2 7.895 -2.769 0.120 1.00 25.00 H new ATOM 0 HG13 ILE A 2 8.739 -2.194 -1.304 1.00 25.00 H new ATOM 0 HG21 ILE A 2 7.975 0.083 1.511 1.00 25.00 H new ATOM 0 HG22 ILE A 2 6.395 0.648 0.918 1.00 25.00 H new ATOM 0 HG23 ILE A 2 6.564 -1.000 1.569 1.00 25.00 H new ATOM 0 HD11 ILE A 2 10.355 -2.427 0.638 1.00 25.00 H new ATOM 0 HD12 ILE A 2 10.232 -0.718 0.159 1.00 25.00 H new ATOM 0 HD13 ILE A 2 9.374 -1.301 1.606 1.00 25.00 H new ATOM 28 N VAL A 3 4.894 -2.647 0.358 1.00 25.00 N ATOM 29 CA VAL A 3 4.322 -3.918 0.818 1.00 25.00 C ATOM 30 C VAL A 3 3.405 -4.549 -0.242 1.00 25.00 C ATOM 31 O VAL A 3 3.621 -5.692 -0.616 1.00 25.00 O ATOM 32 CB VAL A 3 3.613 -3.766 2.182 1.00 25.00 C ATOM 33 CG1 VAL A 3 3.140 -5.109 2.758 1.00 25.00 C ATOM 34 CG2 VAL A 3 4.513 -3.060 3.143 1.00 25.00 C ATOM 0 H VAL A 3 4.693 -1.848 0.959 1.00 25.00 H new ATOM 0 HA VAL A 3 5.152 -4.608 0.968 1.00 25.00 H new ATOM 0 HB VAL A 3 2.715 -3.170 2.021 1.00 25.00 H new ATOM 0 HG11 VAL A 3 2.649 -4.941 3.717 1.00 25.00 H new ATOM 0 HG12 VAL A 3 2.437 -5.574 2.067 1.00 25.00 H new ATOM 0 HG13 VAL A 3 3.998 -5.766 2.900 1.00 25.00 H new ATOM 0 HG21 VAL A 3 4.009 -2.955 4.104 1.00 25.00 H new ATOM 0 HG22 VAL A 3 5.429 -3.637 3.275 1.00 25.00 H new ATOM 0 HG23 VAL A 3 4.759 -2.073 2.753 1.00 25.00 H new ATOM 44 N GLU A 4 2.418 -3.812 -0.771 1.00 25.00 N ATOM 45 CA GLU A 4 1.512 -4.391 -1.787 1.00 25.00 C ATOM 46 C GLU A 4 2.229 -4.764 -3.099 1.00 25.00 C ATOM 47 O GLU A 4 1.914 -5.790 -3.682 1.00 25.00 O ATOM 48 CB GLU A 4 0.367 -3.407 -2.106 1.00 25.00 C ATOM 49 CG GLU A 4 -0.536 -3.145 -0.879 1.00 25.00 C ATOM 50 CD GLU A 4 -1.891 -2.599 -1.261 1.00 25.00 C ATOM 51 OE1 GLU A 4 -2.052 -1.595 -1.874 1.00 25.00 O ATOM 52 OE2 GLU A 4 -2.867 -3.299 -0.792 1.00 25.00 O ATOM 0 H GLU A 4 2.225 -2.841 -0.525 1.00 25.00 H new ATOM 0 HA GLU A 4 1.120 -5.311 -1.353 1.00 25.00 H new ATOM 0 HB2 GLU A 4 0.787 -2.463 -2.454 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -0.237 -3.807 -2.921 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -0.666 -4.074 -0.323 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -0.040 -2.441 -0.211 1.00 25.00 H new ATOM 60 N GLN A 5 3.163 -3.941 -3.555 1.00 25.00 N ATOM 61 CA GLN A 5 3.986 -4.322 -4.738 1.00 25.00 C ATOM 62 C GLN A 5 4.778 -5.605 -4.516 1.00 25.00 C ATOM 63 O GLN A 5 4.959 -6.378 -5.442 1.00 25.00 O ATOM 64 CB GLN A 5 4.986 -3.223 -5.088 1.00 25.00 C ATOM 65 CG GLN A 5 4.368 -1.926 -5.607 1.00 25.00 C ATOM 66 CD GLN A 5 3.976 -2.042 -7.052 1.00 25.00 C ATOM 67 OE1 GLN A 5 2.954 -2.578 -7.379 1.00 25.00 O ATOM 68 NE2 GLN A 5 4.765 -1.520 -7.938 1.00 25.00 N ATOM 0 H GLN A 5 3.380 -3.029 -3.152 1.00 25.00 H new ATOM 0 HA GLN A 5 3.274 -4.475 -5.549 1.00 25.00 H new ATOM 0 HB2 GLN A 5 5.578 -2.996 -4.201 1.00 25.00 H new ATOM 0 HB3 GLN A 5 5.674 -3.606 -5.841 1.00 25.00 H new ATOM 0 HG2 GLN A 5 3.491 -1.675 -5.010 1.00 25.00 H new ATOM 0 HG3 GLN A 5 5.080 -1.109 -5.487 1.00 25.00 H new ATOM 0 HE21 GLN A 5 5.631 -1.067 -7.646 1.00 25.00 H new ATOM 0 HE22 GLN A 5 4.520 -1.562 -8.927 1.00 25.00 H new ATOM 77 N CYS A 6 5.332 -5.817 -3.312 1.00 25.00 N ATOM 78 CA CYS A 6 6.172 -7.018 -3.016 1.00 25.00 C ATOM 79 C CYS A 6 5.286 -8.189 -2.660 1.00 25.00 C ATOM 80 O CYS A 6 5.671 -9.357 -2.866 1.00 25.00 O ATOM 81 CB CYS A 6 7.126 -6.655 -1.847 1.00 25.00 C ATOM 82 SG CYS A 6 8.512 -7.784 -1.464 1.00 25.00 S ATOM 0 H CYS A 6 5.222 -5.182 -2.521 1.00 25.00 H new ATOM 0 HA CYS A 6 6.760 -7.307 -3.887 1.00 25.00 H new ATOM 0 HB2 CYS A 6 7.548 -5.672 -2.058 1.00 25.00 H new ATOM 0 HB3 CYS A 6 6.522 -6.556 -0.945 1.00 25.00 H new ATOM 87 N CYS A 7 4.063 -7.907 -2.179 1.00 25.00 N ATOM 88 CA CYS A 7 3.154 -8.961 -1.739 1.00 25.00 C ATOM 89 C CYS A 7 2.597 -9.669 -2.948 1.00 25.00 C ATOM 90 O CYS A 7 2.330 -10.885 -2.911 1.00 25.00 O ATOM 91 CB CYS A 7 1.977 -8.357 -0.942 1.00 25.00 C ATOM 92 SG CYS A 7 0.983 -9.584 -0.082 1.00 25.00 S ATOM 0 H CYS A 7 3.690 -6.962 -2.088 1.00 25.00 H new ATOM 0 HA CYS A 7 3.704 -9.656 -1.105 1.00 25.00 H new ATOM 0 HB2 CYS A 7 2.369 -7.645 -0.215 1.00 25.00 H new ATOM 0 HB3 CYS A 7 1.337 -7.797 -1.624 1.00 25.00 H new ATOM 97 N THR A 8 2.307 -8.920 -3.964 1.00 25.00 N ATOM 98 CA THR A 8 1.750 -9.469 -5.222 1.00 25.00 C ATOM 99 C THR A 8 2.902 -9.893 -6.067 1.00 25.00 C ATOM 100 O THR A 8 3.994 -9.356 -5.959 1.00 25.00 O ATOM 101 CB THR A 8 0.870 -8.441 -5.981 1.00 25.00 C ATOM 102 OG1 THR A 8 1.565 -7.243 -6.208 1.00 25.00 O ATOM 103 CG2 THR A 8 -0.406 -8.139 -5.221 1.00 25.00 C ATOM 0 H THR A 8 2.439 -7.909 -3.974 1.00 25.00 H new ATOM 0 HA THR A 8 1.097 -10.310 -4.990 1.00 25.00 H new ATOM 0 HB THR A 8 0.615 -8.892 -6.940 1.00 25.00 H new ATOM 0 HG1 THR A 8 1.634 -6.741 -5.369 1.00 25.00 H new ATOM 0 HG21 THR A 8 -1.000 -7.416 -5.780 1.00 25.00 H new ATOM 0 HG22 THR A 8 -0.979 -9.057 -5.093 1.00 25.00 H new ATOM 0 HG23 THR A 8 -0.158 -7.727 -4.243 1.00 25.00 H new ATOM 111 N SER A 9 2.647 -10.887 -6.890 1.00 25.00 N ATOM 112 CA SER A 9 3.662 -11.471 -7.775 1.00 25.00 C ATOM 113 C SER A 9 4.833 -11.988 -6.978 1.00 25.00 C ATOM 114 O SER A 9 4.795 -12.071 -5.760 1.00 25.00 O ATOM 115 CB SER A 9 4.061 -10.471 -8.857 1.00 25.00 C ATOM 116 OG SER A 9 4.999 -9.499 -8.392 1.00 25.00 O ATOM 0 H SER A 9 1.729 -11.323 -6.973 1.00 25.00 H new ATOM 0 HA SER A 9 3.241 -12.335 -8.289 1.00 25.00 H new ATOM 0 HB2 SER A 9 4.491 -11.009 -9.702 1.00 25.00 H new ATOM 0 HB3 SER A 9 3.169 -9.963 -9.223 1.00 25.00 H new ATOM 0 HG SER A 9 4.889 -9.374 -7.426 1.00 25.00 H new ATOM 122 N ILE A 10 5.882 -12.409 -7.654 1.00 25.00 N ATOM 123 CA ILE A 10 7.095 -12.824 -6.972 1.00 25.00 C ATOM 124 C ILE A 10 7.981 -11.559 -6.765 1.00 25.00 C ATOM 125 O ILE A 10 8.312 -10.886 -7.714 1.00 25.00 O ATOM 126 CB ILE A 10 7.875 -13.935 -7.788 1.00 25.00 C ATOM 127 CG1 ILE A 10 6.969 -15.164 -8.106 1.00 25.00 C ATOM 128 CG2 ILE A 10 9.135 -14.369 -7.002 1.00 25.00 C ATOM 129 CD1 ILE A 10 6.655 -16.122 -6.921 1.00 25.00 C ATOM 0 H ILE A 10 5.922 -12.474 -8.671 1.00 25.00 H new ATOM 0 HA ILE A 10 6.840 -13.271 -6.011 1.00 25.00 H new ATOM 0 HB ILE A 10 8.177 -13.507 -8.744 1.00 25.00 H new ATOM 0 HG12 ILE A 10 6.024 -14.796 -8.507 1.00 25.00 H new ATOM 0 HG13 ILE A 10 7.446 -15.744 -8.896 1.00 25.00 H new ATOM 0 HG21 ILE A 10 9.670 -15.133 -7.565 1.00 25.00 H new ATOM 0 HG22 ILE A 10 9.785 -13.507 -6.852 1.00 25.00 H new ATOM 0 HG23 ILE A 10 8.839 -14.773 -6.034 1.00 25.00 H new ATOM 0 HD11 ILE A 10 6.018 -16.935 -7.269 1.00 25.00 H new ATOM 0 HD12 ILE A 10 7.585 -16.533 -6.529 1.00 25.00 H new ATOM 0 HD13 ILE A 10 6.141 -15.570 -6.134 1.00 25.00 H new ATOM 141 N CYS A 11 8.381 -11.309 -5.530 1.00 25.00 N ATOM 142 CA CYS A 11 9.213 -10.158 -5.187 1.00 25.00 C ATOM 143 C CYS A 11 10.688 -10.585 -5.329 1.00 25.00 C ATOM 144 O CYS A 11 11.116 -11.542 -4.675 1.00 25.00 O ATOM 145 CB CYS A 11 8.861 -9.686 -3.770 1.00 25.00 C ATOM 146 SG CYS A 11 9.515 -8.066 -3.213 1.00 25.00 S ATOM 0 H CYS A 11 8.140 -11.897 -4.732 1.00 25.00 H new ATOM 0 HA CYS A 11 9.037 -9.313 -5.853 1.00 25.00 H new ATOM 0 HB2 CYS A 11 7.774 -9.653 -3.690 1.00 25.00 H new ATOM 0 HB3 CYS A 11 9.209 -10.445 -3.069 1.00 25.00 H new ATOM 151 N SER A 12 11.403 -9.953 -6.252 1.00 25.00 N ATOM 152 CA SER A 12 12.770 -10.324 -6.552 1.00 25.00 C ATOM 153 C SER A 12 13.721 -9.465 -5.747 1.00 25.00 C ATOM 154 O SER A 12 13.415 -8.307 -5.432 1.00 25.00 O ATOM 155 CB SER A 12 13.034 -10.079 -8.054 1.00 25.00 C ATOM 156 OG SER A 12 13.112 -8.715 -8.410 1.00 25.00 O ATOM 0 H SER A 12 11.049 -9.174 -6.808 1.00 25.00 H new ATOM 0 HA SER A 12 12.925 -11.374 -6.303 1.00 25.00 H new ATOM 0 HB2 SER A 12 13.966 -10.570 -8.333 1.00 25.00 H new ATOM 0 HB3 SER A 12 12.240 -10.550 -8.633 1.00 25.00 H new ATOM 0 HG SER A 12 13.282 -8.637 -9.372 1.00 25.00 H new ATOM 162 N LEU A 13 14.917 -9.979 -5.421 1.00 25.00 N ATOM 163 CA LEU A 13 15.854 -9.200 -4.622 1.00 25.00 C ATOM 164 C LEU A 13 16.396 -8.027 -5.481 1.00 25.00 C ATOM 165 O LEU A 13 16.812 -7.023 -4.949 1.00 25.00 O ATOM 166 CB LEU A 13 17.041 -10.106 -4.104 1.00 25.00 C ATOM 167 CG LEU A 13 18.016 -10.607 -5.159 1.00 25.00 C ATOM 168 CD1 LEU A 13 19.368 -9.824 -5.067 1.00 25.00 C ATOM 169 CD2 LEU A 13 18.268 -12.093 -4.915 1.00 25.00 C ATOM 0 H LEU A 13 15.245 -10.906 -5.693 1.00 25.00 H new ATOM 0 HA LEU A 13 15.338 -8.803 -3.748 1.00 25.00 H new ATOM 0 HB2 LEU A 13 17.603 -9.542 -3.360 1.00 25.00 H new ATOM 0 HB3 LEU A 13 16.615 -10.970 -3.594 1.00 25.00 H new ATOM 0 HG LEU A 13 17.594 -10.451 -6.152 1.00 25.00 H new ATOM 0 HD11 LEU A 13 20.055 -10.194 -5.828 1.00 25.00 H new ATOM 0 HD12 LEU A 13 19.185 -8.762 -5.229 1.00 25.00 H new ATOM 0 HD13 LEU A 13 19.807 -9.970 -4.080 1.00 25.00 H new ATOM 0 HD21 LEU A 13 18.966 -12.471 -5.662 1.00 25.00 H new ATOM 0 HD22 LEU A 13 18.691 -12.232 -3.920 1.00 25.00 H new ATOM 0 HD23 LEU A 13 17.327 -12.638 -4.988 1.00 25.00 H new ATOM 181 N TYR A 14 16.398 -8.164 -6.803 1.00 25.00 N ATOM 182 CA TYR A 14 16.774 -7.097 -7.706 1.00 25.00 C ATOM 183 C TYR A 14 15.828 -5.889 -7.521 1.00 25.00 C ATOM 184 O TYR A 14 16.273 -4.731 -7.474 1.00 25.00 O ATOM 185 CB TYR A 14 16.732 -7.582 -9.154 1.00 25.00 C ATOM 186 CG TYR A 14 17.379 -6.621 -10.105 1.00 25.00 C ATOM 187 CD1 TYR A 14 18.750 -6.365 -10.046 1.00 25.00 C ATOM 188 CD2 TYR A 14 16.614 -5.967 -11.087 1.00 25.00 C ATOM 189 CE1 TYR A 14 19.350 -5.405 -10.913 1.00 25.00 C ATOM 190 CE2 TYR A 14 17.205 -5.075 -12.003 1.00 25.00 C ATOM 191 CZ TYR A 14 18.561 -4.808 -11.912 1.00 25.00 C ATOM 192 OH TYR A 14 19.151 -3.902 -12.760 1.00 25.00 O ATOM 0 H TYR A 14 16.135 -9.029 -7.276 1.00 25.00 H new ATOM 0 HA TYR A 14 17.793 -6.788 -7.474 1.00 25.00 H new ATOM 0 HB2 TYR A 14 17.232 -8.548 -9.224 1.00 25.00 H new ATOM 0 HB3 TYR A 14 15.695 -7.738 -9.451 1.00 25.00 H new ATOM 0 HD1 TYR A 14 19.363 -6.900 -9.336 1.00 25.00 H new ATOM 0 HD2 TYR A 14 15.551 -6.152 -11.140 1.00 25.00 H new ATOM 0 HE1 TYR A 14 20.392 -5.141 -10.804 1.00 25.00 H new ATOM 0 HE2 TYR A 14 16.607 -4.604 -12.769 1.00 25.00 H new ATOM 0 HH TYR A 14 18.486 -3.572 -13.400 1.00 25.00 H new ATOM 202 N GLN A 15 14.527 -6.150 -7.354 1.00 25.00 N ATOM 203 CA GLN A 15 13.572 -5.064 -7.109 1.00 25.00 C ATOM 204 C GLN A 15 13.646 -4.583 -5.675 1.00 25.00 C ATOM 205 O GLN A 15 13.589 -3.357 -5.411 1.00 25.00 O ATOM 206 CB GLN A 15 12.168 -5.580 -7.342 1.00 25.00 C ATOM 207 CG GLN A 15 11.102 -4.507 -7.126 1.00 25.00 C ATOM 208 CD GLN A 15 9.746 -4.945 -7.551 1.00 25.00 C ATOM 209 OE1 GLN A 15 9.515 -6.122 -7.815 1.00 25.00 O ATOM 210 NE2 GLN A 15 8.834 -4.009 -7.686 1.00 25.00 N ATOM 0 H GLN A 15 14.117 -7.084 -7.383 1.00 25.00 H new ATOM 0 HA GLN A 15 13.817 -4.243 -7.782 1.00 25.00 H new ATOM 0 HB2 GLN A 15 12.091 -5.964 -8.359 1.00 25.00 H new ATOM 0 HB3 GLN A 15 11.977 -6.417 -6.670 1.00 25.00 H new ATOM 0 HG2 GLN A 15 11.076 -4.235 -6.071 1.00 25.00 H new ATOM 0 HG3 GLN A 15 11.379 -3.610 -7.680 1.00 25.00 H new ATOM 0 HE21 GLN A 15 9.059 -3.041 -7.458 1.00 25.00 H new ATOM 0 HE22 GLN A 15 7.901 -4.251 -8.019 1.00 25.00 H new ATOM 219 N LEU A 16 13.844 -5.515 -4.749 1.00 25.00 N ATOM 220 CA LEU A 16 13.948 -5.159 -3.339 1.00 25.00 C ATOM 221 C LEU A 16 15.158 -4.288 -3.007 1.00 25.00 C ATOM 222 O LEU A 16 15.072 -3.381 -2.179 1.00 25.00 O ATOM 223 CB LEU A 16 13.998 -6.426 -2.457 1.00 25.00 C ATOM 224 CG LEU A 16 13.646 -6.188 -0.977 1.00 25.00 C ATOM 225 CD1 LEU A 16 12.235 -5.681 -0.713 1.00 25.00 C ATOM 226 CD2 LEU A 16 13.873 -7.480 -0.204 1.00 25.00 C ATOM 0 H LEU A 16 13.935 -6.512 -4.946 1.00 25.00 H new ATOM 0 HA LEU A 16 13.054 -4.572 -3.127 1.00 25.00 H new ATOM 0 HB2 LEU A 16 13.310 -7.166 -2.867 1.00 25.00 H new ATOM 0 HB3 LEU A 16 14.999 -6.855 -2.515 1.00 25.00 H new ATOM 0 HG LEU A 16 14.303 -5.386 -0.642 1.00 25.00 H new ATOM 0 HD11 LEU A 16 12.091 -5.547 0.359 1.00 25.00 H new ATOM 0 HD12 LEU A 16 12.090 -4.727 -1.221 1.00 25.00 H new ATOM 0 HD13 LEU A 16 11.512 -6.405 -1.088 1.00 25.00 H new ATOM 0 HD21 LEU A 16 13.627 -7.324 0.846 1.00 25.00 H new ATOM 0 HD22 LEU A 16 13.237 -8.265 -0.613 1.00 25.00 H new ATOM 0 HD23 LEU A 16 14.918 -7.777 -0.291 1.00 25.00 H new ATOM 238 N GLU A 17 16.199 -4.448 -3.768 1.00 25.00 N ATOM 239 CA GLU A 17 17.406 -3.605 -3.637 1.00 25.00 C ATOM 240 C GLU A 17 17.146 -2.117 -3.951 1.00 25.00 C ATOM 241 O GLU A 17 17.807 -1.273 -3.411 1.00 25.00 O ATOM 242 CB GLU A 17 18.533 -4.102 -4.574 1.00 25.00 C ATOM 243 CG GLU A 17 19.411 -5.119 -3.931 1.00 25.00 C ATOM 244 CD GLU A 17 20.579 -4.489 -3.231 1.00 25.00 C ATOM 245 OE1 GLU A 17 21.694 -4.519 -3.661 1.00 25.00 O ATOM 246 OE2 GLU A 17 20.303 -3.938 -2.093 1.00 25.00 O ATOM 0 H GLU A 17 16.261 -5.155 -4.501 1.00 25.00 H new ATOM 0 HA GLU A 17 17.705 -3.690 -2.592 1.00 25.00 H new ATOM 0 HB2 GLU A 17 18.090 -4.528 -5.474 1.00 25.00 H new ATOM 0 HB3 GLU A 17 19.139 -3.252 -4.889 1.00 25.00 H new ATOM 0 HG2 GLU A 17 18.829 -5.700 -3.215 1.00 25.00 H new ATOM 0 HG3 GLU A 17 19.774 -5.815 -4.687 1.00 25.00 H new ATOM 254 N ASN A 18 16.121 -1.805 -4.732 1.00 25.00 N ATOM 255 CA ASN A 18 15.755 -0.428 -4.993 1.00 25.00 C ATOM 256 C ASN A 18 15.286 0.339 -3.776 1.00 25.00 C ATOM 257 O ASN A 18 15.304 1.567 -3.723 1.00 25.00 O ATOM 258 CB ASN A 18 14.645 -0.363 -6.023 1.00 25.00 C ATOM 259 CG ASN A 18 14.564 0.999 -6.677 1.00 25.00 C ATOM 260 OD1 ASN A 18 15.598 1.648 -6.809 1.00 25.00 O ATOM 261 ND2 ASN A 18 13.414 1.441 -7.102 1.00 25.00 N ATOM 0 H ASN A 18 15.528 -2.494 -5.196 1.00 25.00 H new ATOM 0 HA ASN A 18 16.674 0.038 -5.348 1.00 25.00 H new ATOM 0 HB2 ASN A 18 14.812 -1.123 -6.786 1.00 25.00 H new ATOM 0 HB3 ASN A 18 13.693 -0.594 -5.546 1.00 25.00 H new ATOM 0 HD21 ASN A 18 13.355 2.351 -7.560 1.00 25.00 H new ATOM 0 HD22 ASN A 18 12.573 0.877 -6.977 1.00 25.00 H new ATOM 268 N TYR A 19 14.818 -0.380 -2.777 1.00 25.00 N ATOM 269 CA TYR A 19 14.325 0.279 -1.597 1.00 25.00 C ATOM 270 C TYR A 19 15.475 0.474 -0.617 1.00 25.00 C ATOM 271 O TYR A 19 15.365 1.221 0.351 1.00 25.00 O ATOM 272 CB TYR A 19 13.187 -0.531 -0.961 1.00 25.00 C ATOM 273 CG TYR A 19 12.044 -0.756 -1.918 1.00 25.00 C ATOM 274 CD1 TYR A 19 11.087 0.251 -2.170 1.00 25.00 C ATOM 275 CD2 TYR A 19 11.908 -2.002 -2.557 1.00 25.00 C ATOM 276 CE1 TYR A 19 9.987 -0.021 -3.030 1.00 25.00 C ATOM 277 CE2 TYR A 19 10.828 -2.264 -3.453 1.00 25.00 C ATOM 278 CZ TYR A 19 9.875 -1.270 -3.646 1.00 25.00 C ATOM 279 OH TYR A 19 8.830 -1.577 -4.460 1.00 25.00 O ATOM 0 H TYR A 19 14.771 -1.399 -2.761 1.00 25.00 H new ATOM 0 HA TYR A 19 13.920 1.254 -1.867 1.00 25.00 H new ATOM 0 HB2 TYR A 19 13.572 -1.494 -0.625 1.00 25.00 H new ATOM 0 HB3 TYR A 19 12.821 -0.008 -0.077 1.00 25.00 H new ATOM 0 HD1 TYR A 19 11.190 1.224 -1.712 1.00 25.00 H new ATOM 0 HD2 TYR A 19 12.636 -2.777 -2.366 1.00 25.00 H new ATOM 0 HE1 TYR A 19 9.239 0.738 -3.207 1.00 25.00 H new ATOM 0 HE2 TYR A 19 10.753 -3.210 -3.968 1.00 25.00 H new ATOM 0 HH TYR A 19 8.933 -2.493 -4.793 1.00 25.00 H new ATOM 289 N CYS A 20 16.616 -0.146 -0.947 1.00 25.00 N ATOM 290 CA CYS A 20 17.878 0.033 -0.201 1.00 25.00 C ATOM 291 C CYS A 20 18.904 0.707 -1.087 1.00 25.00 C ATOM 292 O CYS A 20 20.106 0.406 -1.045 1.00 25.00 O ATOM 293 CB CYS A 20 18.420 -1.318 0.295 1.00 25.00 C ATOM 294 SG CYS A 20 17.529 -1.891 1.799 1.00 25.00 S ATOM 0 H CYS A 20 16.695 -0.786 -1.737 1.00 25.00 H new ATOM 0 HA CYS A 20 17.679 0.660 0.668 1.00 25.00 H new ATOM 0 HB2 CYS A 20 18.320 -2.063 -0.494 1.00 25.00 H new ATOM 0 HB3 CYS A 20 19.484 -1.226 0.514 1.00 25.00 H new ATOM 299 N ASN A 21 18.404 1.596 -1.972 1.00 25.00 N ATOM 300 CA ASN A 21 19.219 2.435 -2.880 1.00 25.00 C ATOM 301 C ASN A 21 19.074 3.934 -2.483 1.00 25.00 C ATOM 302 O ASN A 21 19.834 4.799 -2.784 1.00 25.00 O ATOM 303 CB ASN A 21 18.823 2.230 -4.349 1.00 25.00 C ATOM 304 CG ASN A 21 19.877 1.460 -5.103 1.00 25.00 C ATOM 305 OD1 ASN A 21 21.032 1.447 -4.809 1.00 25.00 O ATOM 306 ND2 ASN A 21 19.476 0.796 -6.210 1.00 25.00 N ATOM 307 OXT ASN A 21 18.022 4.215 -1.819 1.00 25.00 O ATOM 0 H ASN A 21 17.402 1.754 -2.078 1.00 25.00 H new ATOM 0 HA ASN A 21 20.261 2.132 -2.777 1.00 25.00 H new ATOM 0 HB2 ASN A 21 17.874 1.696 -4.400 1.00 25.00 H new ATOM 0 HB3 ASN A 21 18.669 3.199 -4.824 1.00 25.00 H new ATOM 0 HD21 ASN A 21 20.158 0.294 -6.779 1.00 25.00 H new ATOM 0 HD22 ASN A 21 18.491 0.797 -6.476 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 31 17.983 -14.696 1.532 1.00 25.00 N ATOM 317 CA PHE B 31 16.812 -14.175 0.780 1.00 25.00 C ATOM 318 C PHE B 31 16.187 -15.283 -0.008 1.00 25.00 C ATOM 319 O PHE B 31 16.854 -16.155 -0.528 1.00 25.00 O ATOM 320 CB PHE B 31 17.296 -13.115 -0.242 1.00 25.00 C ATOM 321 CG PHE B 31 16.163 -12.598 -1.084 1.00 25.00 C ATOM 322 CD1 PHE B 31 15.796 -13.190 -2.311 1.00 25.00 C ATOM 323 CD2 PHE B 31 15.479 -11.445 -0.670 1.00 25.00 C ATOM 324 CE1 PHE B 31 14.723 -12.667 -3.036 1.00 25.00 C ATOM 325 CE2 PHE B 31 14.448 -10.909 -1.417 1.00 25.00 C ATOM 326 CZ PHE B 31 14.054 -11.533 -2.599 1.00 25.00 C ATOM 0 HA PHE B 31 16.101 -13.751 1.489 1.00 25.00 H new ATOM 0 HB2 PHE B 31 17.764 -12.285 0.288 1.00 25.00 H new ATOM 0 HB3 PHE B 31 18.059 -13.552 -0.887 1.00 25.00 H new ATOM 0 HD1 PHE B 31 16.342 -14.043 -2.687 1.00 25.00 H new ATOM 0 HD2 PHE B 31 15.765 -10.965 0.254 1.00 25.00 H new ATOM 0 HE1 PHE B 31 14.410 -13.152 -3.949 1.00 25.00 H new ATOM 0 HE2 PHE B 31 13.949 -10.010 -1.086 1.00 25.00 H new ATOM 0 HZ PHE B 31 13.230 -11.135 -3.173 1.00 25.00 H new ATOM 337 N VAL B 32 14.885 -15.221 -0.209 1.00 25.00 N ATOM 338 CA VAL B 32 14.148 -16.180 -1.064 1.00 25.00 C ATOM 339 C VAL B 32 13.216 -15.389 -1.975 1.00 25.00 C ATOM 340 O VAL B 32 12.591 -14.423 -1.548 1.00 25.00 O ATOM 341 CB VAL B 32 13.255 -17.217 -0.285 1.00 25.00 C ATOM 342 CG1 VAL B 32 14.127 -18.315 0.386 1.00 25.00 C ATOM 343 CG2 VAL B 32 12.401 -16.524 0.778 1.00 25.00 C ATOM 0 H VAL B 32 14.290 -14.507 0.211 1.00 25.00 H new ATOM 0 HA VAL B 32 14.911 -16.749 -1.596 1.00 25.00 H new ATOM 0 HB VAL B 32 12.596 -17.686 -1.016 1.00 25.00 H new ATOM 0 HG11 VAL B 32 13.484 -19.017 0.917 1.00 25.00 H new ATOM 0 HG12 VAL B 32 14.693 -18.848 -0.378 1.00 25.00 H new ATOM 0 HG13 VAL B 32 14.817 -17.851 1.091 1.00 25.00 H new ATOM 0 HG21 VAL B 32 11.796 -17.266 1.299 1.00 25.00 H new ATOM 0 HG22 VAL B 32 13.050 -16.018 1.493 1.00 25.00 H new ATOM 0 HG23 VAL B 32 11.748 -15.793 0.301 1.00 25.00 H new ATOM 353 N ASN B 33 13.110 -15.814 -3.224 1.00 25.00 N ATOM 354 CA ASN B 33 12.179 -15.215 -4.186 1.00 25.00 C ATOM 355 C ASN B 33 10.789 -15.822 -3.903 1.00 25.00 C ATOM 356 O ASN B 33 10.507 -16.986 -4.269 1.00 25.00 O ATOM 357 CB ASN B 33 12.611 -15.552 -5.628 1.00 25.00 C ATOM 358 CG ASN B 33 13.883 -14.828 -6.051 1.00 25.00 C ATOM 359 OD1 ASN B 33 13.876 -13.645 -6.351 1.00 25.00 O ATOM 360 ND2 ASN B 33 15.000 -15.527 -5.995 1.00 25.00 N ATOM 0 H ASN B 33 13.663 -16.582 -3.606 1.00 25.00 H new ATOM 0 HA ASN B 33 12.164 -14.130 -4.084 1.00 25.00 H new ATOM 0 HB2 ASN B 33 12.766 -16.628 -5.713 1.00 25.00 H new ATOM 0 HB3 ASN B 33 11.805 -15.290 -6.314 1.00 25.00 H new ATOM 0 HD21 ASN B 33 15.892 -15.080 -6.206 1.00 25.00 H new ATOM 0 HD22 ASN B 33 14.972 -16.514 -5.741 1.00 25.00 H new ATOM 367 N GLN B 34 9.955 -15.068 -3.162 1.00 25.00 N ATOM 368 CA GLN B 34 8.656 -15.538 -2.713 1.00 25.00 C ATOM 369 C GLN B 34 7.687 -14.362 -2.587 1.00 25.00 C ATOM 370 O GLN B 34 8.083 -13.239 -2.900 1.00 25.00 O ATOM 371 CB GLN B 34 8.845 -16.229 -1.363 1.00 25.00 C ATOM 372 CG GLN B 34 8.190 -17.619 -1.296 1.00 25.00 C ATOM 373 CD GLN B 34 9.048 -18.724 -1.905 1.00 25.00 C ATOM 374 OE1 GLN B 34 10.125 -18.999 -1.442 1.00 25.00 O ATOM 375 NE2 GLN B 34 8.572 -19.339 -2.953 1.00 25.00 N ATOM 0 H GLN B 34 10.175 -14.117 -2.864 1.00 25.00 H new ATOM 0 HA GLN B 34 8.235 -16.240 -3.433 1.00 25.00 H new ATOM 0 HB2 GLN B 34 9.911 -16.327 -1.158 1.00 25.00 H new ATOM 0 HB3 GLN B 34 8.426 -15.599 -0.578 1.00 25.00 H new ATOM 0 HG2 GLN B 34 7.981 -17.864 -0.255 1.00 25.00 H new ATOM 0 HG3 GLN B 34 7.232 -17.586 -1.814 1.00 25.00 H new ATOM 0 HE21 GLN B 34 7.656 -19.084 -3.322 1.00 25.00 H new ATOM 0 HE22 GLN B 34 9.116 -20.075 -3.403 1.00 25.00 H new ATOM 384 N HIS B 35 6.450 -14.583 -2.142 1.00 25.00 N ATOM 385 CA HIS B 35 5.484 -13.461 -1.932 1.00 25.00 C ATOM 386 C HIS B 35 5.791 -12.894 -0.545 1.00 25.00 C ATOM 387 O HIS B 35 5.133 -13.174 0.446 1.00 25.00 O ATOM 388 CB HIS B 35 4.012 -13.946 -1.994 1.00 25.00 C ATOM 389 CG HIS B 35 3.699 -14.703 -3.228 1.00 25.00 C ATOM 390 ND1 HIS B 35 3.695 -14.158 -4.485 1.00 25.00 N ATOM 391 CD2 HIS B 35 3.411 -16.025 -3.419 1.00 25.00 C ATOM 392 CE1 HIS B 35 3.392 -15.090 -5.356 1.00 25.00 C ATOM 393 NE2 HIS B 35 3.171 -16.213 -4.735 1.00 25.00 N ATOM 0 H HIS B 35 6.080 -15.507 -1.918 1.00 25.00 H new ATOM 0 HA HIS B 35 5.595 -12.713 -2.717 1.00 25.00 H new ATOM 0 HB2 HIS B 35 3.807 -14.575 -1.128 1.00 25.00 H new ATOM 0 HB3 HIS B 35 3.349 -13.084 -1.926 1.00 25.00 H new ATOM 0 HD1 HIS B 35 3.896 -13.183 -4.708 1.00 25.00 H new ATOM 0 HD2 HIS B 35 3.381 -16.786 -2.653 1.00 25.00 H new ATOM 0 HE1 HIS B 35 3.335 -14.948 -6.425 1.00 25.00 H new ATOM 402 N LEU B 36 6.821 -12.061 -0.459 1.00 25.00 N ATOM 403 CA LEU B 36 7.230 -11.485 0.858 1.00 25.00 C ATOM 404 C LEU B 36 6.219 -10.383 1.200 1.00 25.00 C ATOM 405 O LEU B 36 5.978 -9.471 0.369 1.00 25.00 O ATOM 406 CB LEU B 36 8.676 -10.947 0.752 1.00 25.00 C ATOM 407 CG LEU B 36 9.764 -11.926 0.282 1.00 25.00 C ATOM 408 CD1 LEU B 36 11.001 -11.176 -0.181 1.00 25.00 C ATOM 409 CD2 LEU B 36 10.131 -12.945 1.377 1.00 25.00 C ATOM 0 H LEU B 36 7.389 -11.763 -1.252 1.00 25.00 H new ATOM 0 HA LEU B 36 7.227 -12.230 1.654 1.00 25.00 H new ATOM 0 HB2 LEU B 36 8.670 -10.098 0.069 1.00 25.00 H new ATOM 0 HB3 LEU B 36 8.966 -10.566 1.731 1.00 25.00 H new ATOM 0 HG LEU B 36 9.355 -12.482 -0.562 1.00 25.00 H new ATOM 0 HD11 LEU B 36 11.757 -11.889 -0.509 1.00 25.00 H new ATOM 0 HD12 LEU B 36 10.739 -10.518 -1.010 1.00 25.00 H new ATOM 0 HD13 LEU B 36 11.396 -10.582 0.643 1.00 25.00 H new ATOM 0 HD21 LEU B 36 10.903 -13.618 1.004 1.00 25.00 H new ATOM 0 HD22 LEU B 36 10.503 -12.417 2.255 1.00 25.00 H new ATOM 0 HD23 LEU B 36 9.247 -13.522 1.648 1.00 25.00 H new ATOM 421 N CYS B 37 5.505 -10.585 2.307 1.00 25.00 N ATOM 422 CA CYS B 37 4.344 -9.789 2.594 1.00 25.00 C ATOM 423 C CYS B 37 4.052 -9.813 4.103 1.00 25.00 C ATOM 424 O CYS B 37 3.061 -10.380 4.524 1.00 25.00 O ATOM 425 CB CYS B 37 3.144 -10.375 1.814 1.00 25.00 C ATOM 426 SG CYS B 37 1.616 -9.392 1.813 1.00 25.00 S ATOM 0 H CYS B 37 5.720 -11.294 3.008 1.00 25.00 H new ATOM 0 HA CYS B 37 4.516 -8.756 2.292 1.00 25.00 H new ATOM 0 HB2 CYS B 37 3.452 -10.527 0.779 1.00 25.00 H new ATOM 0 HB3 CYS B 37 2.917 -11.358 2.227 1.00 25.00 H new ATOM 431 N GLY B 38 4.951 -9.249 4.898 1.00 25.00 N ATOM 432 CA GLY B 38 4.807 -9.259 6.333 1.00 25.00 C ATOM 433 C GLY B 38 6.168 -9.083 6.966 1.00 25.00 C ATOM 434 O GLY B 38 7.021 -8.451 6.343 1.00 25.00 O ATOM 0 H GLY B 38 5.791 -8.777 4.563 1.00 25.00 H new ATOM 0 HA2 GLY B 38 4.138 -8.459 6.650 1.00 25.00 H new ATOM 0 HA3 GLY B 38 4.358 -10.197 6.660 1.00 25.00 H new ATOM 438 N SER B 39 6.432 -9.706 8.135 1.00 25.00 N ATOM 439 CA SER B 39 7.771 -9.558 8.757 1.00 25.00 C ATOM 440 C SER B 39 8.926 -10.040 7.859 1.00 25.00 C ATOM 441 O SER B 39 10.026 -9.457 7.867 1.00 25.00 O ATOM 442 CB SER B 39 7.800 -10.326 10.067 1.00 25.00 C ATOM 443 OG SER B 39 6.543 -10.274 10.717 1.00 25.00 O ATOM 0 H SER B 39 5.773 -10.290 8.649 1.00 25.00 H new ATOM 0 HA SER B 39 7.926 -8.491 8.919 1.00 25.00 H new ATOM 0 HB2 SER B 39 8.072 -11.364 9.877 1.00 25.00 H new ATOM 0 HB3 SER B 39 8.568 -9.909 10.719 1.00 25.00 H new ATOM 0 HG SER B 39 6.588 -10.777 11.557 1.00 25.00 H new ATOM 449 N HIS B 40 8.667 -11.006 6.987 1.00 25.00 N ATOM 450 CA HIS B 40 9.682 -11.488 6.043 1.00 25.00 C ATOM 451 C HIS B 40 10.145 -10.470 5.053 1.00 25.00 C ATOM 452 O HIS B 40 11.277 -10.529 4.601 1.00 25.00 O ATOM 453 CB HIS B 40 9.157 -12.712 5.285 1.00 25.00 C ATOM 454 CG HIS B 40 9.852 -13.972 5.635 1.00 25.00 C ATOM 455 ND1 HIS B 40 11.132 -14.315 5.173 1.00 25.00 N ATOM 456 CD2 HIS B 40 9.487 -14.987 6.432 1.00 25.00 C ATOM 457 CE1 HIS B 40 11.486 -15.472 5.738 1.00 25.00 C ATOM 458 NE2 HIS B 40 10.511 -15.893 6.481 1.00 25.00 N ATOM 0 H HIS B 40 7.764 -11.475 6.909 1.00 25.00 H new ATOM 0 HA HIS B 40 10.547 -11.740 6.657 1.00 25.00 H new ATOM 0 HB2 HIS B 40 8.092 -12.826 5.489 1.00 25.00 H new ATOM 0 HB3 HIS B 40 9.259 -12.536 4.214 1.00 25.00 H new ATOM 0 HD2 HIS B 40 8.543 -15.075 6.949 1.00 25.00 H new ATOM 0 HE1 HIS B 40 12.431 -15.975 5.598 1.00 25.00 H new ATOM 0 HE2 HIS B 40 10.508 -16.761 7.017 1.00 25.00 H new ATOM 467 N LEU B 41 9.259 -9.516 4.696 1.00 25.00 N ATOM 468 CA LEU B 41 9.634 -8.473 3.732 1.00 25.00 C ATOM 469 C LEU B 41 10.639 -7.555 4.386 1.00 25.00 C ATOM 470 O LEU B 41 11.709 -7.352 3.817 1.00 25.00 O ATOM 471 CB LEU B 41 8.377 -7.741 3.256 1.00 25.00 C ATOM 472 CG LEU B 41 8.475 -6.647 2.175 1.00 25.00 C ATOM 473 CD1 LEU B 41 7.034 -6.367 1.769 1.00 25.00 C ATOM 474 CD2 LEU B 41 9.170 -5.341 2.524 1.00 25.00 C ATOM 0 H LEU B 41 8.306 -9.450 5.052 1.00 25.00 H new ATOM 0 HA LEU B 41 10.102 -8.901 2.846 1.00 25.00 H new ATOM 0 HB2 LEU B 41 7.684 -8.497 2.888 1.00 25.00 H new ATOM 0 HB3 LEU B 41 7.917 -7.287 4.133 1.00 25.00 H new ATOM 0 HG LEU B 41 9.125 -7.039 1.393 1.00 25.00 H new ATOM 0 HD11 LEU B 41 7.016 -5.596 0.999 1.00 25.00 H new ATOM 0 HD12 LEU B 41 6.582 -7.279 1.379 1.00 25.00 H new ATOM 0 HD13 LEU B 41 6.471 -6.026 2.638 1.00 25.00 H new ATOM 0 HD21 LEU B 41 9.155 -4.678 1.659 1.00 25.00 H new ATOM 0 HD22 LEU B 41 8.651 -4.864 3.355 1.00 25.00 H new ATOM 0 HD23 LEU B 41 10.203 -5.543 2.809 1.00 25.00 H new ATOM 486 N VAL B 42 10.357 -7.015 5.562 1.00 25.00 N ATOM 487 CA VAL B 42 11.346 -6.101 6.196 1.00 25.00 C ATOM 488 C VAL B 42 12.616 -6.850 6.641 1.00 25.00 C ATOM 489 O VAL B 42 13.675 -6.278 6.670 1.00 25.00 O ATOM 490 CB VAL B 42 10.788 -5.248 7.429 1.00 25.00 C ATOM 491 CG1 VAL B 42 9.706 -4.273 6.936 1.00 25.00 C ATOM 492 CG2 VAL B 42 10.202 -6.166 8.535 1.00 25.00 C ATOM 0 H VAL B 42 9.499 -7.171 6.091 1.00 25.00 H new ATOM 0 HA VAL B 42 11.582 -5.391 5.403 1.00 25.00 H new ATOM 0 HB VAL B 42 11.620 -4.691 7.859 1.00 25.00 H new ATOM 0 HG11 VAL B 42 9.328 -3.693 7.778 1.00 25.00 H new ATOM 0 HG12 VAL B 42 10.134 -3.599 6.194 1.00 25.00 H new ATOM 0 HG13 VAL B 42 8.888 -4.835 6.486 1.00 25.00 H new ATOM 0 HG21 VAL B 42 9.832 -5.554 9.358 1.00 25.00 H new ATOM 0 HG22 VAL B 42 9.382 -6.754 8.123 1.00 25.00 H new ATOM 0 HG23 VAL B 42 10.980 -6.835 8.902 1.00 25.00 H new ATOM 502 N GLU B 43 12.538 -8.145 6.869 1.00 25.00 N ATOM 503 CA GLU B 43 13.717 -8.937 7.257 1.00 25.00 C ATOM 504 C GLU B 43 14.671 -9.106 6.070 1.00 25.00 C ATOM 505 O GLU B 43 15.892 -8.972 6.203 1.00 25.00 O ATOM 506 CB GLU B 43 13.262 -10.311 7.749 1.00 25.00 C ATOM 507 CG GLU B 43 14.340 -11.223 8.310 1.00 25.00 C ATOM 508 CD GLU B 43 13.802 -12.575 8.690 1.00 25.00 C ATOM 509 OE1 GLU B 43 12.649 -12.839 8.698 1.00 25.00 O ATOM 510 OE2 GLU B 43 14.730 -13.493 8.860 1.00 25.00 O ATOM 0 H GLU B 43 11.675 -8.684 6.796 1.00 25.00 H new ATOM 0 HA GLU B 43 14.246 -8.413 8.053 1.00 25.00 H new ATOM 0 HB2 GLU B 43 12.505 -10.164 8.520 1.00 25.00 H new ATOM 0 HB3 GLU B 43 12.777 -10.826 6.920 1.00 25.00 H new ATOM 0 HG2 GLU B 43 15.132 -11.344 7.571 1.00 25.00 H new ATOM 0 HG3 GLU B 43 14.790 -10.754 9.185 1.00 25.00 H new ATOM 518 N ALA B 44 14.083 -9.388 4.916 1.00 25.00 N ATOM 519 CA ALA B 44 14.799 -9.479 3.654 1.00 25.00 C ATOM 520 C ALA B 44 15.351 -8.102 3.348 1.00 25.00 C ATOM 521 O ALA B 44 16.485 -7.977 2.928 1.00 25.00 O ATOM 522 CB ALA B 44 13.804 -9.953 2.470 1.00 25.00 C ATOM 0 H ALA B 44 13.082 -9.562 4.830 1.00 25.00 H new ATOM 0 HA ALA B 44 15.602 -10.212 3.725 1.00 25.00 H new ATOM 0 HB1 ALA B 44 14.357 -10.015 1.533 1.00 25.00 H new ATOM 0 HB2 ALA B 44 13.390 -10.932 2.713 1.00 25.00 H new ATOM 0 HB3 ALA B 44 12.993 -9.232 2.365 1.00 25.00 H new ATOM 528 N LEU B 45 14.523 -7.087 3.491 1.00 25.00 N ATOM 529 CA LEU B 45 14.965 -5.708 3.226 1.00 25.00 C ATOM 530 C LEU B 45 16.144 -5.338 4.087 1.00 25.00 C ATOM 531 O LEU B 45 17.104 -4.783 3.580 1.00 25.00 O ATOM 532 CB LEU B 45 13.756 -4.757 3.387 1.00 25.00 C ATOM 533 CG LEU B 45 13.945 -3.287 2.964 1.00 25.00 C ATOM 534 CD1 LEU B 45 14.353 -3.147 1.510 1.00 25.00 C ATOM 535 CD2 LEU B 45 12.633 -2.502 3.188 1.00 25.00 C ATOM 0 H LEU B 45 13.550 -7.175 3.785 1.00 25.00 H new ATOM 0 HA LEU B 45 15.323 -5.617 2.201 1.00 25.00 H new ATOM 0 HB2 LEU B 45 12.926 -5.168 2.812 1.00 25.00 H new ATOM 0 HB3 LEU B 45 13.456 -4.769 4.435 1.00 25.00 H new ATOM 0 HG LEU B 45 14.748 -2.883 3.580 1.00 25.00 H new ATOM 0 HD11 LEU B 45 14.472 -2.091 1.266 1.00 25.00 H new ATOM 0 HD12 LEU B 45 15.297 -3.667 1.345 1.00 25.00 H new ATOM 0 HD13 LEU B 45 13.583 -3.582 0.873 1.00 25.00 H new ATOM 0 HD21 LEU B 45 12.774 -1.464 2.887 1.00 25.00 H new ATOM 0 HD22 LEU B 45 11.836 -2.947 2.592 1.00 25.00 H new ATOM 0 HD23 LEU B 45 12.362 -2.540 4.243 1.00 25.00 H new ATOM 547 N TYR B 46 16.112 -5.658 5.400 1.00 25.00 N ATOM 548 CA TYR B 46 17.262 -5.411 6.276 1.00 25.00 C ATOM 549 C TYR B 46 18.481 -6.165 5.754 1.00 25.00 C ATOM 550 O TYR B 46 19.545 -5.593 5.728 1.00 25.00 O ATOM 551 CB TYR B 46 16.976 -5.843 7.733 1.00 25.00 C ATOM 552 CG TYR B 46 18.226 -5.911 8.599 1.00 25.00 C ATOM 553 CD1 TYR B 46 18.669 -4.756 9.324 1.00 25.00 C ATOM 554 CD2 TYR B 46 18.961 -7.113 8.723 1.00 25.00 C ATOM 555 CE1 TYR B 46 19.876 -4.768 10.092 1.00 25.00 C ATOM 556 CE2 TYR B 46 20.107 -7.172 9.533 1.00 25.00 C ATOM 557 CZ TYR B 46 20.600 -5.979 10.211 1.00 25.00 C ATOM 558 OH TYR B 46 21.720 -5.978 10.961 1.00 25.00 O ATOM 0 H TYR B 46 15.309 -6.082 5.865 1.00 25.00 H new ATOM 0 HA TYR B 46 17.456 -4.338 6.273 1.00 25.00 H new ATOM 0 HB2 TYR B 46 16.271 -5.143 8.180 1.00 25.00 H new ATOM 0 HB3 TYR B 46 16.494 -6.820 7.726 1.00 25.00 H new ATOM 0 HD1 TYR B 46 18.076 -3.854 9.289 1.00 25.00 H new ATOM 0 HD2 TYR B 46 18.638 -7.995 8.189 1.00 25.00 H new ATOM 0 HE1 TYR B 46 20.229 -3.868 10.573 1.00 25.00 H new ATOM 0 HE2 TYR B 46 20.628 -8.110 9.655 1.00 25.00 H new ATOM 0 HH TYR B 46 22.117 -6.874 10.958 1.00 25.00 H new ATOM 568 N LEU B 47 18.321 -7.418 5.333 1.00 25.00 N ATOM 569 CA LEU B 47 19.462 -8.174 4.838 1.00 25.00 C ATOM 570 C LEU B 47 20.065 -7.556 3.606 1.00 25.00 C ATOM 571 O LEU B 47 21.275 -7.497 3.490 1.00 25.00 O ATOM 572 CB LEU B 47 19.095 -9.626 4.527 1.00 25.00 C ATOM 573 CG LEU B 47 18.808 -10.627 5.672 1.00 25.00 C ATOM 574 CD1 LEU B 47 18.036 -11.849 5.122 1.00 25.00 C ATOM 575 CD2 LEU B 47 20.094 -11.095 6.367 1.00 25.00 C ATOM 0 H LEU B 47 17.433 -7.919 5.325 1.00 25.00 H new ATOM 0 HA LEU B 47 20.197 -8.152 5.643 1.00 25.00 H new ATOM 0 HB2 LEU B 47 18.211 -9.605 3.889 1.00 25.00 H new ATOM 0 HB3 LEU B 47 19.908 -10.043 3.932 1.00 25.00 H new ATOM 0 HG LEU B 47 18.202 -10.109 6.415 1.00 25.00 H new ATOM 0 HD11 LEU B 47 17.838 -12.549 5.933 1.00 25.00 H new ATOM 0 HD12 LEU B 47 17.092 -11.518 4.689 1.00 25.00 H new ATOM 0 HD13 LEU B 47 18.634 -12.342 4.355 1.00 25.00 H new ATOM 0 HD21 LEU B 47 19.843 -11.796 7.163 1.00 25.00 H new ATOM 0 HD22 LEU B 47 20.741 -11.587 5.641 1.00 25.00 H new ATOM 0 HD23 LEU B 47 20.612 -10.235 6.791 1.00 25.00 H new ATOM 587 N VAL B 48 19.262 -7.089 2.654 1.00 25.00 N ATOM 588 CA VAL B 48 19.845 -6.481 1.457 1.00 25.00 C ATOM 589 C VAL B 48 20.375 -5.092 1.741 1.00 25.00 C ATOM 590 O VAL B 48 21.317 -4.652 1.090 1.00 25.00 O ATOM 591 CB VAL B 48 18.845 -6.496 0.219 1.00 25.00 C ATOM 592 CG1 VAL B 48 18.434 -7.933 -0.123 1.00 25.00 C ATOM 593 CG2 VAL B 48 17.606 -5.617 0.447 1.00 25.00 C ATOM 0 H VAL B 48 18.243 -7.116 2.681 1.00 25.00 H new ATOM 0 HA VAL B 48 20.695 -7.100 1.171 1.00 25.00 H new ATOM 0 HB VAL B 48 19.382 -6.068 -0.627 1.00 25.00 H new ATOM 0 HG11 VAL B 48 17.750 -7.924 -0.972 1.00 25.00 H new ATOM 0 HG12 VAL B 48 19.320 -8.514 -0.377 1.00 25.00 H new ATOM 0 HG13 VAL B 48 17.939 -8.384 0.737 1.00 25.00 H new ATOM 0 HG21 VAL B 48 16.959 -5.665 -0.429 1.00 25.00 H new ATOM 0 HG22 VAL B 48 17.061 -5.976 1.320 1.00 25.00 H new ATOM 0 HG23 VAL B 48 17.917 -4.585 0.612 1.00 25.00 H new ATOM 603 N CYS B 49 19.891 -4.413 2.787 1.00 25.00 N ATOM 604 CA CYS B 49 20.446 -3.117 3.155 1.00 25.00 C ATOM 605 C CYS B 49 21.788 -3.313 3.844 1.00 25.00 C ATOM 606 O CYS B 49 22.745 -2.571 3.597 1.00 25.00 O ATOM 607 CB CYS B 49 19.476 -2.369 4.072 1.00 25.00 C ATOM 608 SG CYS B 49 18.601 -1.009 3.275 1.00 25.00 S ATOM 0 H CYS B 49 19.128 -4.737 3.382 1.00 25.00 H new ATOM 0 HA CYS B 49 20.595 -2.521 2.255 1.00 25.00 H new ATOM 0 HB2 CYS B 49 18.745 -3.077 4.463 1.00 25.00 H new ATOM 0 HB3 CYS B 49 20.030 -1.979 4.926 1.00 25.00 H new ATOM 613 N GLY B 50 21.860 -4.314 4.713 1.00 25.00 N ATOM 614 CA GLY B 50 23.120 -4.620 5.420 1.00 25.00 C ATOM 615 C GLY B 50 23.134 -4.436 6.931 1.00 25.00 C ATOM 616 O GLY B 50 23.196 -5.440 7.629 1.00 25.00 O ATOM 0 H GLY B 50 21.079 -4.926 4.950 1.00 25.00 H new ATOM 0 HA2 GLY B 50 23.386 -5.655 5.204 1.00 25.00 H new ATOM 0 HA3 GLY B 50 23.905 -3.994 4.996 1.00 25.00 H new ATOM 620 N GLU B 51 23.205 -3.191 7.434 1.00 25.00 N ATOM 621 CA GLU B 51 23.494 -2.959 8.870 1.00 25.00 C ATOM 622 C GLU B 51 22.898 -1.734 9.495 1.00 25.00 C ATOM 623 O GLU B 51 23.082 -1.476 10.681 1.00 25.00 O ATOM 624 CB GLU B 51 25.014 -2.887 9.065 1.00 25.00 C ATOM 625 CG GLU B 51 25.654 -1.605 8.337 1.00 25.00 C ATOM 626 CD GLU B 51 27.125 -1.719 8.233 1.00 25.00 C ATOM 627 OE1 GLU B 51 27.876 -0.838 8.483 1.00 25.00 O ATOM 628 OE2 GLU B 51 27.564 -2.864 7.808 1.00 25.00 O ATOM 0 H GLU B 51 23.070 -2.342 6.885 1.00 25.00 H new ATOM 0 HA GLU B 51 23.020 -3.801 9.375 1.00 25.00 H new ATOM 0 HB2 GLU B 51 25.242 -2.850 10.130 1.00 25.00 H new ATOM 0 HB3 GLU B 51 25.473 -3.794 8.672 1.00 25.00 H new ATOM 0 HG2 GLU B 51 25.225 -1.499 7.341 1.00 25.00 H new ATOM 0 HG3 GLU B 51 25.396 -0.703 8.893 1.00 25.00 H new ATOM 636 N GLN B 52 22.130 -0.970 8.710 1.00 25.00 N ATOM 637 CA GLN B 52 21.503 0.273 9.186 1.00 25.00 C ATOM 638 C GLN B 52 20.497 0.028 10.289 1.00 25.00 C ATOM 639 O GLN B 52 20.325 0.876 11.152 1.00 25.00 O ATOM 640 CB GLN B 52 20.739 0.930 8.020 1.00 25.00 C ATOM 641 CG GLN B 52 21.570 1.716 7.071 1.00 25.00 C ATOM 642 CD GLN B 52 20.912 1.841 5.704 1.00 25.00 C ATOM 643 OE1 GLN B 52 20.964 0.925 4.937 1.00 25.00 O ATOM 644 NE2 GLN B 52 20.298 2.960 5.412 1.00 25.00 N ATOM 0 H GLN B 52 21.926 -1.191 7.735 1.00 25.00 H new ATOM 0 HA GLN B 52 22.304 0.906 9.569 1.00 25.00 H new ATOM 0 HB2 GLN B 52 20.222 0.149 7.462 1.00 25.00 H new ATOM 0 HB3 GLN B 52 19.973 1.586 8.434 1.00 25.00 H new ATOM 0 HG2 GLN B 52 21.746 2.711 7.481 1.00 25.00 H new ATOM 0 HG3 GLN B 52 22.544 1.240 6.962 1.00 25.00 H new ATOM 0 HE21 GLN B 52 20.274 3.721 6.091 1.00 25.00 H new ATOM 0 HE22 GLN B 52 19.844 3.071 4.505 1.00 25.00 H new ATOM 653 N GLY B 53 19.866 -1.117 10.262 1.00 25.00 N ATOM 654 CA GLY B 53 18.859 -1.425 11.288 1.00 25.00 C ATOM 655 C GLY B 53 17.481 -0.995 10.808 1.00 25.00 C ATOM 656 O GLY B 53 17.340 0.001 10.118 1.00 25.00 O ATOM 0 H GLY B 53 20.014 -1.847 9.565 1.00 25.00 H new ATOM 0 HA2 GLY B 53 18.861 -2.494 11.503 1.00 25.00 H new ATOM 0 HA3 GLY B 53 19.106 -0.912 12.218 1.00 25.00 H new ATOM 660 N PHE B 54 16.453 -1.792 11.108 1.00 25.00 N ATOM 661 CA PHE B 54 15.103 -1.451 10.679 1.00 25.00 C ATOM 662 C PHE B 54 14.056 -1.360 11.794 1.00 25.00 C ATOM 663 O PHE B 54 12.921 -0.914 11.585 1.00 25.00 O ATOM 664 CB PHE B 54 14.660 -2.401 9.619 1.00 25.00 C ATOM 665 CG PHE B 54 14.965 -1.970 8.233 1.00 25.00 C ATOM 666 CD1 PHE B 54 16.280 -1.975 7.766 1.00 25.00 C ATOM 667 CD2 PHE B 54 13.933 -1.578 7.362 1.00 25.00 C ATOM 668 CE1 PHE B 54 16.584 -1.548 6.414 1.00 25.00 C ATOM 669 CE2 PHE B 54 14.216 -1.171 6.048 1.00 25.00 C ATOM 670 CZ PHE B 54 15.547 -1.152 5.579 1.00 25.00 C ATOM 0 H PHE B 54 16.530 -2.661 11.636 1.00 25.00 H new ATOM 0 HA PHE B 54 15.170 -0.435 10.290 1.00 25.00 H new ATOM 0 HB2 PHE B 54 15.132 -3.368 9.796 1.00 25.00 H new ATOM 0 HB3 PHE B 54 13.584 -2.550 9.710 1.00 25.00 H new ATOM 0 HD1 PHE B 54 17.078 -2.300 8.417 1.00 25.00 H new ATOM 0 HD2 PHE B 54 12.910 -1.590 7.708 1.00 25.00 H new ATOM 0 HE1 PHE B 54 17.604 -1.538 6.061 1.00 25.00 H new ATOM 0 HE2 PHE B 54 13.411 -0.871 5.393 1.00 25.00 H new ATOM 0 HZ PHE B 54 15.759 -0.829 4.570 1.00 25.00 H new ATOM 680 N PHE B 55 14.466 -1.755 13.014 1.00 25.00 N ATOM 681 CA PHE B 55 13.583 -1.722 14.183 1.00 25.00 C ATOM 682 C PHE B 55 14.455 -1.192 15.324 1.00 25.00 C ATOM 683 O PHE B 55 15.670 -1.376 15.327 1.00 25.00 O ATOM 684 CB PHE B 55 13.076 -3.139 14.510 1.00 25.00 C ATOM 685 CG PHE B 55 11.769 -3.165 15.192 1.00 25.00 C ATOM 686 CD1 PHE B 55 11.668 -3.031 16.603 1.00 25.00 C ATOM 687 CD2 PHE B 55 10.572 -3.307 14.446 1.00 25.00 C ATOM 688 CE1 PHE B 55 10.418 -3.036 17.240 1.00 25.00 C ATOM 689 CE2 PHE B 55 9.313 -3.316 15.117 1.00 25.00 C ATOM 690 CZ PHE B 55 9.259 -3.182 16.493 1.00 25.00 C ATOM 0 H PHE B 55 15.405 -2.100 13.210 1.00 25.00 H new ATOM 0 HA PHE B 55 12.704 -1.100 14.016 1.00 25.00 H new ATOM 0 HB2 PHE B 55 13.003 -3.710 13.585 1.00 25.00 H new ATOM 0 HB3 PHE B 55 13.812 -3.641 15.138 1.00 25.00 H new ATOM 0 HD1 PHE B 55 12.566 -2.924 17.193 1.00 25.00 H new ATOM 0 HD2 PHE B 55 10.613 -3.408 13.372 1.00 25.00 H new ATOM 0 HE1 PHE B 55 10.358 -2.926 18.313 1.00 25.00 H new ATOM 0 HE2 PHE B 55 8.401 -3.428 14.550 1.00 25.00 H new ATOM 0 HZ PHE B 55 8.301 -3.191 16.992 1.00 25.00 H new ATOM 700 N TYR B 56 13.856 -0.641 16.368 1.00 25.00 N ATOM 701 CA TYR B 56 14.616 -0.224 17.560 1.00 25.00 C ATOM 702 C TYR B 56 13.977 -0.862 18.794 1.00 25.00 C ATOM 703 O TYR B 56 12.793 -0.619 19.105 1.00 25.00 O ATOM 704 CB TYR B 56 14.603 1.295 17.688 1.00 25.00 C ATOM 705 CG TYR B 56 14.975 1.759 19.069 1.00 25.00 C ATOM 706 CD1 TYR B 56 16.176 1.343 19.674 1.00 25.00 C ATOM 707 CD2 TYR B 56 14.115 2.593 19.805 1.00 25.00 C ATOM 708 CE1 TYR B 56 16.557 1.768 20.974 1.00 25.00 C ATOM 709 CE2 TYR B 56 14.462 3.007 21.122 1.00 25.00 C ATOM 710 CZ TYR B 56 15.692 2.599 21.678 1.00 25.00 C ATOM 711 OH TYR B 56 16.088 2.994 22.922 1.00 25.00 O ATOM 0 H TYR B 56 12.852 -0.468 16.425 1.00 25.00 H new ATOM 0 HA TYR B 56 15.652 -0.550 17.470 1.00 25.00 H new ATOM 0 HB2 TYR B 56 15.297 1.723 16.965 1.00 25.00 H new ATOM 0 HB3 TYR B 56 13.610 1.669 17.437 1.00 25.00 H new ATOM 0 HD1 TYR B 56 16.830 0.677 19.130 1.00 25.00 H new ATOM 0 HD2 TYR B 56 13.184 2.922 19.368 1.00 25.00 H new ATOM 0 HE1 TYR B 56 17.496 1.454 21.406 1.00 25.00 H new ATOM 0 HE2 TYR B 56 13.788 3.629 21.692 1.00 25.00 H new ATOM 0 HH TYR B 56 15.402 3.573 23.315 1.00 25.00 H new ATOM 721 N THR B 57 14.717 -1.714 19.483 1.00 25.00 N ATOM 722 CA THR B 57 14.222 -2.387 20.689 1.00 25.00 C ATOM 723 C THR B 57 15.268 -2.253 21.757 1.00 25.00 C ATOM 724 O THR B 57 16.275 -2.975 21.750 1.00 25.00 O ATOM 725 CB THR B 57 14.028 -3.897 20.443 1.00 25.00 C ATOM 726 OG1 THR B 57 13.260 -4.123 19.286 1.00 25.00 O ATOM 727 CG2 THR B 57 13.288 -4.567 21.644 1.00 25.00 C ATOM 0 H THR B 57 15.673 -1.963 19.231 1.00 25.00 H new ATOM 0 HA THR B 57 13.271 -1.936 20.972 1.00 25.00 H new ATOM 0 HB THR B 57 15.021 -4.330 20.325 1.00 25.00 H new ATOM 0 HG1 THR B 57 13.151 -5.087 19.149 1.00 25.00 H new ATOM 0 HG21 THR B 57 13.163 -5.632 21.446 1.00 25.00 H new ATOM 0 HG22 THR B 57 13.874 -4.433 22.553 1.00 25.00 H new ATOM 0 HG23 THR B 57 12.309 -4.105 21.772 1.00 25.00 H new ATOM 735 N PRO B 58 15.075 -1.338 22.745 1.00 25.00 N ATOM 736 CA PRO B 58 16.053 -1.297 23.842 1.00 25.00 C ATOM 737 C PRO B 58 15.924 -2.559 24.690 1.00 25.00 C ATOM 738 O PRO B 58 14.832 -3.097 24.882 1.00 25.00 O ATOM 739 CB PRO B 58 15.651 -0.040 24.626 1.00 25.00 C ATOM 740 CG PRO B 58 14.194 0.022 24.416 1.00 25.00 C ATOM 741 CD PRO B 58 13.993 -0.374 22.981 1.00 25.00 C ATOM 0 HA PRO B 58 17.092 -1.260 23.513 1.00 25.00 H new ATOM 0 HB2 PRO B 58 15.904 -0.124 25.683 1.00 25.00 H new ATOM 0 HB3 PRO B 58 16.153 0.851 24.248 1.00 25.00 H new ATOM 0 HG2 PRO B 58 13.669 -0.655 25.090 1.00 25.00 H new ATOM 0 HG3 PRO B 58 13.810 1.024 24.607 1.00 25.00 H new ATOM 0 HD2 PRO B 58 13.012 -0.822 22.820 1.00 25.00 H new ATOM 0 HD3 PRO B 58 14.065 0.484 22.313 1.00 25.00 H new ATOM 749 N LYS B 59 17.079 -3.054 25.215 1.00 25.00 N ATOM 750 CA LYS B 59 17.081 -4.277 26.007 1.00 25.00 C ATOM 751 C LYS B 59 17.917 -4.035 27.259 1.00 25.00 C ATOM 752 O LYS B 59 18.537 -4.944 27.775 1.00 25.00 O ATOM 753 CB LYS B 59 17.653 -5.429 25.164 1.00 25.00 C ATOM 754 CG LYS B 59 17.056 -6.850 25.540 1.00 25.00 C ATOM 755 CD LYS B 59 15.640 -7.006 25.079 1.00 25.00 C ATOM 756 CE LYS B 59 15.120 -8.349 25.472 1.00 25.00 C ATOM 757 NZ LYS B 59 13.688 -8.536 24.895 1.00 25.00 N ATOM 0 H LYS B 59 17.995 -2.621 25.097 1.00 25.00 H new ATOM 0 HA LYS B 59 16.069 -4.551 26.305 1.00 25.00 H new ATOM 0 HB2 LYS B 59 17.457 -5.229 24.111 1.00 25.00 H new ATOM 0 HB3 LYS B 59 18.736 -5.455 25.287 1.00 25.00 H new ATOM 0 HG2 LYS B 59 17.671 -7.631 25.092 1.00 25.00 H new ATOM 0 HG3 LYS B 59 17.102 -6.988 26.620 1.00 25.00 H new ATOM 0 HD2 LYS B 59 15.019 -6.224 25.516 1.00 25.00 H new ATOM 0 HD3 LYS B 59 15.586 -6.889 23.997 1.00 25.00 H new ATOM 0 HE2 LYS B 59 15.780 -9.131 25.097 1.00 25.00 H new ATOM 0 HE3 LYS B 59 15.102 -8.441 26.558 1.00 25.00 H new ATOM 0 HZ1 LYS B 59 13.323 -9.471 25.167 1.00 25.00 H new ATOM 0 HZ2 LYS B 59 13.062 -7.797 25.273 1.00 25.00 H new ATOM 0 HZ3 LYS B 59 13.720 -8.466 23.858 1.00 25.00 H new ATOM 771 N THR B 60 17.845 -2.797 27.685 1.00 25.00 N ATOM 772 CA THR B 60 18.585 -2.221 28.850 1.00 25.00 C ATOM 773 C THR B 60 20.120 -2.192 28.698 1.00 25.00 C ATOM 774 O THR B 60 20.722 -1.290 28.213 1.00 25.00 O ATOM 775 CB THR B 60 18.153 -2.804 30.182 1.00 25.00 C ATOM 776 OG1 THR B 60 16.716 -2.804 30.201 1.00 25.00 O ATOM 777 CG2 THR B 60 18.632 -2.000 31.390 1.00 25.00 C ATOM 778 OXT THR B 60 20.694 -3.336 28.884 1.00 25.00 O ATOM 0 H THR B 60 17.249 -2.108 27.227 1.00 25.00 H new ATOM 0 HA THR B 60 18.284 -1.173 28.849 1.00 25.00 H new ATOM 0 HB THR B 60 18.592 -3.799 30.263 1.00 25.00 H new ATOM 0 HG1 THR B 60 16.400 -3.177 31.050 1.00 25.00 H new ATOM 0 HG21 THR B 60 18.285 -2.478 32.306 1.00 25.00 H new ATOM 0 HG22 THR B 60 19.721 -1.960 31.392 1.00 25.00 H new ATOM 0 HG23 THR B 60 18.232 -0.987 31.335 1.00 25.00 H new TER 787 THR B 60