USER MOD reduce.3.24.130724 H: found=0, std=0, add=365, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 364 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=-0.00591 (180deg=-0.00591) USER MOD Single : A 5 GLN : amide:sc= -0.818 K(o=-0.82,f=-2.8!) USER MOD Single : A 8 THR OG1 : rot -18:sc= 0.991 USER MOD Single : A 9 SER OG : rot 180:sc= 0.119 USER MOD Single : A 12 SER OG : rot 180:sc= -0.573! USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 18 ASN : amide:sc= -0.222 K(o=-0.22,f=-2.8!) USER MOD Single : A 19 TYR OH : rot 165:sc= -1.81! USER MOD Single : A 21 ASN : amide:sc= -2.44! C(o=-2.4!,f=-4!) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.0576 X(o=-0.058,f=-0.058) USER MOD Single : B 4 GLN : amide:sc= -0.643 K(o=-0.64,f=-1.2) USER MOD Single : B 5 HIS : no HE2:sc= -0.286 K(o=-0.29,f=-1.9) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.881 7.461 0.502 1.00 0.00 N ATOM 2 CA GLY A 1 -12.422 7.925 -0.879 1.00 0.00 C ATOM 3 C GLY A 1 -12.476 6.977 -2.028 1.00 0.00 C ATOM 4 O GLY A 1 -12.318 7.359 -3.170 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.778 8.241 1.182 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.879 7.171 0.457 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.300 6.655 0.808 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.020 8.796 -1.146 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.390 8.264 -0.783 1.00 0.00 H new ATOM 10 N GLY A 2 -12.700 5.718 -1.762 1.00 0.00 N ATOM 11 CA GLY A 2 -12.766 4.723 -2.870 1.00 0.00 C ATOM 12 C GLY A 2 -11.478 3.901 -2.899 1.00 0.00 C ATOM 13 O GLY A 2 -10.455 4.348 -3.381 1.00 0.00 O ATOM 0 H GLY A 2 -12.840 5.336 -0.826 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -13.625 4.067 -2.732 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -12.905 5.234 -3.823 1.00 0.00 H new ATOM 17 N GLY A 3 -11.516 2.701 -2.389 1.00 0.00 N ATOM 18 CA GLY A 3 -10.291 1.852 -2.389 1.00 0.00 C ATOM 19 C GLY A 3 -9.247 2.457 -1.450 1.00 0.00 C ATOM 20 O GLY A 3 -9.416 2.475 -0.247 1.00 0.00 O ATOM 0 H GLY A 3 -12.342 2.271 -1.972 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -10.538 0.839 -2.070 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -9.887 1.779 -3.399 1.00 0.00 H new ATOM 24 N GLU A 4 -8.168 2.953 -1.991 1.00 0.00 N ATOM 25 CA GLU A 4 -7.111 3.559 -1.130 1.00 0.00 C ATOM 26 C GLU A 4 -6.583 2.507 -0.152 1.00 0.00 C ATOM 27 O GLU A 4 -7.317 1.970 0.655 1.00 0.00 O ATOM 28 CB GLU A 4 -7.699 4.738 -0.351 1.00 0.00 C ATOM 29 CG GLU A 4 -6.737 5.149 0.766 1.00 0.00 C ATOM 30 CD GLU A 4 -7.239 6.434 1.427 1.00 0.00 C ATOM 31 OE1 GLU A 4 -7.098 7.483 0.820 1.00 0.00 O ATOM 32 OE2 GLU A 4 -7.756 6.347 2.529 1.00 0.00 O ATOM 0 H GLU A 4 -7.972 2.965 -2.992 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.292 3.913 -1.756 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.873 5.579 -1.022 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -8.665 4.462 0.071 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.661 4.353 1.506 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.737 5.303 0.360 1.00 0.00 H new ATOM 39 N GLN A 5 -5.312 2.214 -0.214 1.00 0.00 N ATOM 40 CA GLN A 5 -4.730 1.202 0.714 1.00 0.00 C ATOM 41 C GLN A 5 -3.265 1.539 0.974 1.00 0.00 C ATOM 42 O GLN A 5 -2.794 1.504 2.093 1.00 0.00 O ATOM 43 CB GLN A 5 -4.828 -0.191 0.084 1.00 0.00 C ATOM 44 CG GLN A 5 -4.371 -1.244 1.097 1.00 0.00 C ATOM 45 CD GLN A 5 -4.423 -2.633 0.453 1.00 0.00 C ATOM 46 OE1 GLN A 5 -3.413 -3.154 0.023 1.00 0.00 O ATOM 47 NE2 GLN A 5 -5.565 -3.258 0.372 1.00 0.00 N ATOM 0 H GLN A 5 -4.651 2.632 -0.868 1.00 0.00 H new ATOM 0 HA GLN A 5 -5.281 1.213 1.654 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.854 -0.390 -0.226 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.209 -0.241 -0.812 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.357 -1.025 1.432 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -5.011 -1.217 1.979 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -6.413 -2.820 0.733 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -5.610 -4.184 -0.052 1.00 0.00 H new ATOM 56 N CYS A 6 -2.545 1.864 -0.057 1.00 0.00 N ATOM 57 CA CYS A 6 -1.105 2.206 0.108 1.00 0.00 C ATOM 58 C CYS A 6 -0.637 3.031 -1.093 1.00 0.00 C ATOM 59 O CYS A 6 0.463 2.866 -1.583 1.00 0.00 O ATOM 60 CB CYS A 6 -0.283 0.919 0.192 1.00 0.00 C ATOM 61 SG CYS A 6 -0.365 0.258 1.874 1.00 0.00 S ATOM 0 H CYS A 6 -2.892 1.909 -1.015 1.00 0.00 H new ATOM 0 HA CYS A 6 -0.971 2.784 1.022 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -0.664 0.185 -0.518 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.753 1.118 -0.081 1.00 0.00 H new ATOM 66 N CYS A 7 -1.468 3.916 -1.574 1.00 0.00 N ATOM 67 CA CYS A 7 -1.073 4.748 -2.744 1.00 0.00 C ATOM 68 C CYS A 7 -0.498 6.078 -2.255 1.00 0.00 C ATOM 69 O CYS A 7 0.370 6.655 -2.881 1.00 0.00 O ATOM 70 CB CYS A 7 -2.303 5.009 -3.617 1.00 0.00 C ATOM 71 SG CYS A 7 -1.791 5.814 -5.155 1.00 0.00 S ATOM 0 H CYS A 7 -2.402 4.098 -1.207 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.317 4.223 -3.328 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.812 4.071 -3.837 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.014 5.640 -3.083 1.00 0.00 H new ATOM 76 N THR A 8 -0.970 6.570 -1.143 1.00 0.00 N ATOM 77 CA THR A 8 -0.445 7.864 -0.620 1.00 0.00 C ATOM 78 C THR A 8 0.441 7.602 0.602 1.00 0.00 C ATOM 79 O THR A 8 0.887 8.519 1.263 1.00 0.00 O ATOM 80 CB THR A 8 -1.612 8.766 -0.217 1.00 0.00 C ATOM 81 OG1 THR A 8 -1.105 9.953 0.378 1.00 0.00 O ATOM 82 CG2 THR A 8 -2.506 8.032 0.784 1.00 0.00 C ATOM 0 H THR A 8 -1.695 6.133 -0.574 1.00 0.00 H new ATOM 0 HA THR A 8 0.142 8.355 -1.397 1.00 0.00 H new ATOM 0 HB THR A 8 -2.197 9.022 -1.101 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.175 9.811 0.651 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.337 8.676 1.070 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.893 7.122 0.327 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.925 7.774 1.670 1.00 0.00 H new ATOM 90 N SER A 9 0.698 6.360 0.907 1.00 0.00 N ATOM 91 CA SER A 9 1.555 6.047 2.087 1.00 0.00 C ATOM 92 C SER A 9 2.764 5.223 1.637 1.00 0.00 C ATOM 93 O SER A 9 3.260 5.380 0.539 1.00 0.00 O ATOM 94 CB SER A 9 0.744 5.251 3.110 1.00 0.00 C ATOM 95 OG SER A 9 1.352 5.375 4.389 1.00 0.00 O ATOM 0 H SER A 9 0.353 5.550 0.392 1.00 0.00 H new ATOM 0 HA SER A 9 1.900 6.976 2.542 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.281 5.619 3.145 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.696 4.202 2.817 1.00 0.00 H new ATOM 0 HG SER A 9 0.834 4.867 5.048 1.00 0.00 H new ATOM 101 N ILE A 10 3.245 4.345 2.476 1.00 0.00 N ATOM 102 CA ILE A 10 4.423 3.515 2.091 1.00 0.00 C ATOM 103 C ILE A 10 4.111 2.037 2.332 1.00 0.00 C ATOM 104 O ILE A 10 4.078 1.244 1.413 1.00 0.00 O ATOM 105 CB ILE A 10 5.632 3.925 2.933 1.00 0.00 C ATOM 106 CG1 ILE A 10 5.590 5.433 3.186 1.00 0.00 C ATOM 107 CG2 ILE A 10 6.918 3.572 2.182 1.00 0.00 C ATOM 108 CD1 ILE A 10 5.687 6.177 1.853 1.00 0.00 C ATOM 0 H ILE A 10 2.874 4.167 3.409 1.00 0.00 H new ATOM 0 HA ILE A 10 4.645 3.670 1.035 1.00 0.00 H new ATOM 0 HB ILE A 10 5.608 3.395 3.885 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.666 5.701 3.698 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.412 5.726 3.839 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.781 3.864 2.781 1.00 0.00 H new ATOM 0 HG22 ILE A 10 6.949 2.498 1.999 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.941 4.103 1.230 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.657 7.252 2.033 1.00 0.00 H new ATOM 0 HD12 ILE A 10 6.623 5.918 1.359 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.850 5.892 1.216 1.00 0.00 H new ATOM 120 N CYS A 11 3.883 1.657 3.560 1.00 0.00 N ATOM 121 CA CYS A 11 3.576 0.228 3.849 1.00 0.00 C ATOM 122 C CYS A 11 4.814 -0.624 3.555 1.00 0.00 C ATOM 123 O CYS A 11 5.836 -0.119 3.134 1.00 0.00 O ATOM 124 CB CYS A 11 2.413 -0.231 2.965 1.00 0.00 C ATOM 125 SG CYS A 11 1.204 1.109 2.817 1.00 0.00 S ATOM 0 H CYS A 11 3.896 2.273 4.373 1.00 0.00 H new ATOM 0 HA CYS A 11 3.299 0.116 4.897 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.781 -0.514 1.979 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.942 -1.115 3.395 1.00 0.00 H new ATOM 130 N SER A 12 4.735 -1.910 3.769 1.00 0.00 N ATOM 131 CA SER A 12 5.911 -2.779 3.496 1.00 0.00 C ATOM 132 C SER A 12 5.453 -4.227 3.340 1.00 0.00 C ATOM 133 O SER A 12 4.277 -4.529 3.415 1.00 0.00 O ATOM 134 CB SER A 12 6.902 -2.688 4.653 1.00 0.00 C ATOM 135 OG SER A 12 7.804 -3.784 4.587 1.00 0.00 O ATOM 0 H SER A 12 3.908 -2.393 4.120 1.00 0.00 H new ATOM 0 HA SER A 12 6.394 -2.446 2.577 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.451 -1.747 4.604 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.370 -2.697 5.604 1.00 0.00 H new ATOM 0 HG SER A 12 8.443 -3.727 5.328 1.00 0.00 H new ATOM 141 N LEU A 13 6.374 -5.122 3.125 1.00 0.00 N ATOM 142 CA LEU A 13 5.998 -6.554 2.959 1.00 0.00 C ATOM 143 C LEU A 13 5.163 -7.003 4.148 1.00 0.00 C ATOM 144 O LEU A 13 4.394 -7.939 4.064 1.00 0.00 O ATOM 145 CB LEU A 13 7.260 -7.417 2.859 1.00 0.00 C ATOM 146 CG LEU A 13 8.326 -6.691 2.034 1.00 0.00 C ATOM 147 CD1 LEU A 13 9.405 -7.688 1.608 1.00 0.00 C ATOM 148 CD2 LEU A 13 7.686 -6.077 0.787 1.00 0.00 C ATOM 0 H LEU A 13 7.372 -4.925 3.057 1.00 0.00 H new ATOM 0 HA LEU A 13 5.416 -6.667 2.044 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.644 -7.632 3.856 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.020 -8.375 2.397 1.00 0.00 H new ATOM 0 HG LEU A 13 8.772 -5.901 2.638 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.165 -7.173 1.020 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.866 -8.126 2.493 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.954 -8.477 1.006 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.448 -5.561 0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.237 -6.865 0.183 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.916 -5.366 1.086 1.00 0.00 H new ATOM 160 N TYR A 14 5.297 -6.335 5.250 1.00 0.00 N ATOM 161 CA TYR A 14 4.503 -6.714 6.443 1.00 0.00 C ATOM 162 C TYR A 14 3.051 -6.332 6.204 1.00 0.00 C ATOM 163 O TYR A 14 2.164 -7.163 6.207 1.00 0.00 O ATOM 164 CB TYR A 14 5.039 -5.966 7.655 1.00 0.00 C ATOM 165 CG TYR A 14 6.059 -6.831 8.351 1.00 0.00 C ATOM 166 CD1 TYR A 14 7.267 -7.138 7.711 1.00 0.00 C ATOM 167 CD2 TYR A 14 5.796 -7.330 9.631 1.00 0.00 C ATOM 168 CE1 TYR A 14 8.214 -7.946 8.355 1.00 0.00 C ATOM 169 CE2 TYR A 14 6.742 -8.137 10.276 1.00 0.00 C ATOM 170 CZ TYR A 14 7.951 -8.445 9.638 1.00 0.00 C ATOM 171 OH TYR A 14 8.884 -9.241 10.273 1.00 0.00 O ATOM 0 H TYR A 14 5.923 -5.540 5.378 1.00 0.00 H new ATOM 0 HA TYR A 14 4.575 -7.787 6.621 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.492 -5.024 7.346 1.00 0.00 H new ATOM 0 HB3 TYR A 14 4.225 -5.720 8.337 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.468 -6.752 6.722 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.864 -7.093 10.122 1.00 0.00 H new ATOM 0 HE1 TYR A 14 9.146 -8.184 7.863 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.540 -8.522 11.265 1.00 0.00 H new ATOM 0 HH TYR A 14 8.546 -9.501 11.155 1.00 0.00 H new ATOM 181 N GLN A 15 2.809 -5.079 5.982 1.00 0.00 N ATOM 182 CA GLN A 15 1.417 -4.630 5.721 1.00 0.00 C ATOM 183 C GLN A 15 0.832 -5.507 4.622 1.00 0.00 C ATOM 184 O GLN A 15 -0.340 -5.829 4.621 1.00 0.00 O ATOM 185 CB GLN A 15 1.422 -3.169 5.276 1.00 0.00 C ATOM 186 CG GLN A 15 2.130 -2.327 6.336 1.00 0.00 C ATOM 187 CD GLN A 15 1.100 -1.789 7.331 1.00 0.00 C ATOM 188 OE1 GLN A 15 0.411 -2.551 7.981 1.00 0.00 O ATOM 189 NE2 GLN A 15 0.965 -0.501 7.480 1.00 0.00 N ATOM 0 H GLN A 15 3.514 -4.342 5.969 1.00 0.00 H new ATOM 0 HA GLN A 15 0.816 -4.715 6.626 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.929 -3.070 4.316 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.401 -2.815 5.135 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.874 -2.929 6.857 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.662 -1.501 5.864 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.543 0.139 6.935 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.282 -0.133 8.142 1.00 0.00 H new ATOM 198 N LEU A 16 1.656 -5.918 3.703 1.00 0.00 N ATOM 199 CA LEU A 16 1.170 -6.806 2.614 1.00 0.00 C ATOM 200 C LEU A 16 0.961 -8.195 3.205 1.00 0.00 C ATOM 201 O LEU A 16 0.106 -8.946 2.778 1.00 0.00 O ATOM 202 CB LEU A 16 2.213 -6.877 1.496 1.00 0.00 C ATOM 203 CG LEU A 16 2.499 -5.471 0.969 1.00 0.00 C ATOM 204 CD1 LEU A 16 3.727 -5.511 0.059 1.00 0.00 C ATOM 205 CD2 LEU A 16 1.291 -4.973 0.172 1.00 0.00 C ATOM 0 H LEU A 16 2.646 -5.677 3.658 1.00 0.00 H new ATOM 0 HA LEU A 16 0.239 -6.421 2.198 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.131 -7.329 1.870 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.851 -7.512 0.688 1.00 0.00 H new ATOM 0 HG LEU A 16 2.687 -4.798 1.805 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.933 -4.509 -0.318 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.587 -5.870 0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.537 -6.182 -0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.492 -3.970 -0.205 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.106 -5.645 -0.666 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.414 -4.948 0.818 1.00 0.00 H new ATOM 217 N GLU A 17 1.730 -8.533 4.204 1.00 0.00 N ATOM 218 CA GLU A 17 1.573 -9.862 4.849 1.00 0.00 C ATOM 219 C GLU A 17 0.361 -9.804 5.773 1.00 0.00 C ATOM 220 O GLU A 17 -0.223 -10.810 6.121 1.00 0.00 O ATOM 221 CB GLU A 17 2.828 -10.193 5.660 1.00 0.00 C ATOM 222 CG GLU A 17 3.576 -11.351 4.995 1.00 0.00 C ATOM 223 CD GLU A 17 3.169 -12.668 5.657 1.00 0.00 C ATOM 224 OE1 GLU A 17 2.020 -13.052 5.513 1.00 0.00 O ATOM 225 OE2 GLU A 17 4.015 -13.272 6.298 1.00 0.00 O ATOM 0 H GLU A 17 2.461 -7.943 4.600 1.00 0.00 H new ATOM 0 HA GLU A 17 1.432 -10.634 4.093 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.474 -9.317 5.723 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.554 -10.461 6.680 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.348 -11.381 3.930 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.652 -11.203 5.086 1.00 0.00 H new ATOM 232 N ASN A 18 -0.024 -8.620 6.163 1.00 0.00 N ATOM 233 CA ASN A 18 -1.204 -8.477 7.055 1.00 0.00 C ATOM 234 C ASN A 18 -2.485 -8.590 6.224 1.00 0.00 C ATOM 235 O ASN A 18 -3.581 -8.518 6.742 1.00 0.00 O ATOM 236 CB ASN A 18 -1.162 -7.108 7.734 1.00 0.00 C ATOM 237 CG ASN A 18 -1.884 -7.180 9.080 1.00 0.00 C ATOM 238 OD1 ASN A 18 -2.033 -8.246 9.645 1.00 0.00 O ATOM 239 ND2 ASN A 18 -2.341 -6.085 9.622 1.00 0.00 N ATOM 0 H ASN A 18 0.430 -7.745 5.901 1.00 0.00 H new ATOM 0 HA ASN A 18 -1.188 -9.262 7.811 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.128 -6.795 7.881 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.634 -6.360 7.097 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.823 -6.123 10.520 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.216 -5.191 9.148 1.00 0.00 H new ATOM 246 N TYR A 19 -2.355 -8.763 4.936 1.00 0.00 N ATOM 247 CA TYR A 19 -3.567 -8.874 4.075 1.00 0.00 C ATOM 248 C TYR A 19 -3.847 -10.344 3.762 1.00 0.00 C ATOM 249 O TYR A 19 -4.961 -10.720 3.452 1.00 0.00 O ATOM 250 CB TYR A 19 -3.339 -8.108 2.770 1.00 0.00 C ATOM 251 CG TYR A 19 -3.661 -6.648 2.981 1.00 0.00 C ATOM 252 CD1 TYR A 19 -4.948 -6.266 3.382 1.00 0.00 C ATOM 253 CD2 TYR A 19 -2.674 -5.674 2.777 1.00 0.00 C ATOM 254 CE1 TYR A 19 -5.248 -4.911 3.580 1.00 0.00 C ATOM 255 CE2 TYR A 19 -2.973 -4.320 2.974 1.00 0.00 C ATOM 256 CZ TYR A 19 -4.261 -3.938 3.375 1.00 0.00 C ATOM 257 OH TYR A 19 -4.555 -2.604 3.569 1.00 0.00 O ATOM 0 H TYR A 19 -1.464 -8.832 4.444 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.422 -8.450 4.602 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.304 -8.220 2.446 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.967 -8.519 1.980 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.709 -7.016 3.539 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.682 -5.968 2.468 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.240 -4.617 3.891 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.212 -3.570 2.817 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.722 -2.090 3.621 1.00 0.00 H new ATOM 267 N CYS A 20 -2.850 -11.179 3.842 1.00 0.00 N ATOM 268 CA CYS A 20 -3.068 -12.625 3.551 1.00 0.00 C ATOM 269 C CYS A 20 -3.204 -13.395 4.865 1.00 0.00 C ATOM 270 O CYS A 20 -3.279 -12.818 5.931 1.00 0.00 O ATOM 271 CB CYS A 20 -1.881 -13.190 2.767 1.00 0.00 C ATOM 272 SG CYS A 20 -1.215 -11.927 1.656 1.00 0.00 S ATOM 0 H CYS A 20 -1.895 -10.925 4.096 1.00 0.00 H new ATOM 0 HA CYS A 20 -3.977 -12.731 2.959 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -1.106 -13.525 3.456 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -2.196 -14.062 2.193 1.00 0.00 H new ATOM 277 N ASN A 21 -3.235 -14.697 4.793 1.00 0.00 N ATOM 278 CA ASN A 21 -3.363 -15.509 6.037 1.00 0.00 C ATOM 279 C ASN A 21 -4.553 -14.988 6.855 1.00 0.00 C ATOM 280 O ASN A 21 -4.785 -15.518 7.928 1.00 0.00 O ATOM 281 CB ASN A 21 -2.042 -15.416 6.837 1.00 0.00 C ATOM 282 CG ASN A 21 -2.292 -14.991 8.291 1.00 0.00 C ATOM 283 OD1 ASN A 21 -2.905 -13.972 8.541 1.00 0.00 O ATOM 284 ND2 ASN A 21 -1.837 -15.733 9.263 1.00 0.00 N ATOM 285 OXT ASN A 21 -5.208 -14.069 6.391 1.00 0.00 O ATOM 0 H ASN A 21 -3.177 -15.234 3.928 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.546 -16.557 5.798 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.537 -16.382 6.821 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.375 -14.700 6.357 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.996 -15.458 10.232 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.322 -16.588 9.054 1.00 0.00 H new TER 292 ASN A 21 ATOM 293 N PHE B 1 14.964 -3.442 -3.646 1.00 0.00 N ATOM 294 CA PHE B 1 13.877 -2.794 -2.860 1.00 0.00 C ATOM 295 C PHE B 1 13.834 -1.299 -3.184 1.00 0.00 C ATOM 296 O PHE B 1 14.623 -0.523 -2.683 1.00 0.00 O ATOM 297 CB PHE B 1 14.144 -2.983 -1.366 1.00 0.00 C ATOM 298 CG PHE B 1 13.443 -4.230 -0.881 1.00 0.00 C ATOM 299 CD1 PHE B 1 14.101 -5.467 -0.925 1.00 0.00 C ATOM 300 CD2 PHE B 1 12.134 -4.151 -0.388 1.00 0.00 C ATOM 301 CE1 PHE B 1 13.450 -6.623 -0.477 1.00 0.00 C ATOM 302 CE2 PHE B 1 11.484 -5.307 0.062 1.00 0.00 C ATOM 303 CZ PHE B 1 12.141 -6.543 0.018 1.00 0.00 C ATOM 0 H1 PHE B 1 14.993 -4.458 -3.426 1.00 0.00 H new ATOM 0 H2 PHE B 1 14.782 -3.313 -4.662 1.00 0.00 H new ATOM 0 H3 PHE B 1 15.877 -3.008 -3.400 1.00 0.00 H new ATOM 0 HA PHE B 1 12.922 -3.250 -3.119 1.00 0.00 H new ATOM 0 HB2 PHE B 1 15.216 -3.062 -1.185 1.00 0.00 H new ATOM 0 HB3 PHE B 1 13.790 -2.115 -0.810 1.00 0.00 H new ATOM 0 HD1 PHE B 1 15.110 -5.528 -1.305 1.00 0.00 H new ATOM 0 HD2 PHE B 1 11.626 -3.198 -0.355 1.00 0.00 H new ATOM 0 HE1 PHE B 1 13.956 -7.576 -0.513 1.00 0.00 H new ATOM 0 HE2 PHE B 1 10.475 -5.245 0.443 1.00 0.00 H new ATOM 0 HZ PHE B 1 11.639 -7.434 0.365 1.00 0.00 H new ATOM 315 N VAL B 2 12.915 -0.889 -4.017 1.00 0.00 N ATOM 316 CA VAL B 2 12.820 0.556 -4.369 1.00 0.00 C ATOM 317 C VAL B 2 11.699 1.202 -3.557 1.00 0.00 C ATOM 318 O VAL B 2 11.284 0.699 -2.532 1.00 0.00 O ATOM 319 CB VAL B 2 12.542 0.698 -5.877 1.00 0.00 C ATOM 320 CG1 VAL B 2 11.034 0.685 -6.157 1.00 0.00 C ATOM 321 CG2 VAL B 2 13.144 2.012 -6.385 1.00 0.00 C ATOM 0 H VAL B 2 12.227 -1.492 -4.468 1.00 0.00 H new ATOM 0 HA VAL B 2 13.759 1.058 -4.136 1.00 0.00 H new ATOM 0 HB VAL B 2 12.998 -0.145 -6.395 1.00 0.00 H new ATOM 0 HG11 VAL B 2 10.862 0.787 -7.229 1.00 0.00 H new ATOM 0 HG12 VAL B 2 10.607 -0.256 -5.809 1.00 0.00 H new ATOM 0 HG13 VAL B 2 10.559 1.515 -5.633 1.00 0.00 H new ATOM 0 HG21 VAL B 2 12.948 2.113 -7.452 1.00 0.00 H new ATOM 0 HG22 VAL B 2 12.693 2.849 -5.852 1.00 0.00 H new ATOM 0 HG23 VAL B 2 14.220 2.010 -6.213 1.00 0.00 H new ATOM 331 N ASN B 3 11.212 2.312 -4.015 1.00 0.00 N ATOM 332 CA ASN B 3 10.114 3.007 -3.286 1.00 0.00 C ATOM 333 C ASN B 3 8.953 2.034 -3.069 1.00 0.00 C ATOM 334 O ASN B 3 8.713 1.151 -3.870 1.00 0.00 O ATOM 335 CB ASN B 3 9.634 4.204 -4.108 1.00 0.00 C ATOM 336 CG ASN B 3 10.814 5.136 -4.388 1.00 0.00 C ATOM 337 OD1 ASN B 3 11.139 5.400 -5.530 1.00 0.00 O ATOM 338 ND2 ASN B 3 11.476 5.649 -3.388 1.00 0.00 N ATOM 0 H ASN B 3 11.526 2.775 -4.868 1.00 0.00 H new ATOM 0 HA ASN B 3 10.480 3.356 -2.320 1.00 0.00 H new ATOM 0 HB2 ASN B 3 9.196 3.863 -5.046 1.00 0.00 H new ATOM 0 HB3 ASN B 3 8.853 4.740 -3.568 1.00 0.00 H new ATOM 0 HD21 ASN B 3 12.265 6.271 -3.564 1.00 0.00 H new ATOM 0 HD22 ASN B 3 11.204 5.428 -2.430 1.00 0.00 H new ATOM 345 N GLN B 4 8.232 2.184 -1.991 1.00 0.00 N ATOM 346 CA GLN B 4 7.090 1.263 -1.725 1.00 0.00 C ATOM 347 C GLN B 4 5.771 1.985 -2.002 1.00 0.00 C ATOM 348 O GLN B 4 4.886 2.020 -1.172 1.00 0.00 O ATOM 349 CB GLN B 4 7.128 0.815 -0.263 1.00 0.00 C ATOM 350 CG GLN B 4 7.836 -0.537 -0.160 1.00 0.00 C ATOM 351 CD GLN B 4 9.346 -0.313 -0.069 1.00 0.00 C ATOM 352 OE1 GLN B 4 10.104 -0.885 -0.826 1.00 0.00 O ATOM 353 NE2 GLN B 4 9.818 0.503 0.834 1.00 0.00 N ATOM 0 H GLN B 4 8.384 2.903 -1.284 1.00 0.00 H new ATOM 0 HA GLN B 4 7.169 0.392 -2.376 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.649 1.557 0.342 1.00 0.00 H new ATOM 0 HB3 GLN B 4 6.115 0.737 0.131 1.00 0.00 H new ATOM 0 HG2 GLN B 4 7.484 -1.079 0.718 1.00 0.00 H new ATOM 0 HG3 GLN B 4 7.600 -1.151 -1.029 1.00 0.00 H new ATOM 0 HE21 GLN B 4 9.181 0.983 1.470 1.00 0.00 H new ATOM 0 HE22 GLN B 4 10.823 0.660 0.904 1.00 0.00 H new ATOM 362 N HIS B 5 5.630 2.556 -3.166 1.00 0.00 N ATOM 363 CA HIS B 5 4.366 3.270 -3.496 1.00 0.00 C ATOM 364 C HIS B 5 3.559 2.436 -4.491 1.00 0.00 C ATOM 365 O HIS B 5 3.940 2.273 -5.633 1.00 0.00 O ATOM 366 CB HIS B 5 4.694 4.632 -4.112 1.00 0.00 C ATOM 367 CG HIS B 5 4.986 5.619 -3.015 1.00 0.00 C ATOM 368 ND1 HIS B 5 4.423 6.877 -3.010 1.00 0.00 N ATOM 369 CD2 HIS B 5 5.779 5.520 -1.904 1.00 0.00 C ATOM 370 CE1 HIS B 5 4.881 7.498 -1.913 1.00 0.00 C ATOM 371 NE2 HIS B 5 5.714 6.706 -1.205 1.00 0.00 N ATOM 0 H HIS B 5 6.336 2.559 -3.903 1.00 0.00 H new ATOM 0 HA HIS B 5 3.781 3.418 -2.588 1.00 0.00 H new ATOM 0 HB2 HIS B 5 5.554 4.545 -4.777 1.00 0.00 H new ATOM 0 HB3 HIS B 5 3.857 4.981 -4.717 1.00 0.00 H new ATOM 0 HD1 HIS B 5 3.783 7.261 -3.705 1.00 0.00 H new ATOM 0 HD2 HIS B 5 6.360 4.655 -1.621 1.00 0.00 H new ATOM 0 HE1 HIS B 5 4.616 8.506 -1.631 1.00 0.00 H new ATOM 379 N LEU B 6 2.447 1.902 -4.067 1.00 0.00 N ATOM 380 CA LEU B 6 1.622 1.077 -4.991 1.00 0.00 C ATOM 381 C LEU B 6 0.162 1.527 -4.912 1.00 0.00 C ATOM 382 O LEU B 6 -0.322 1.915 -3.868 1.00 0.00 O ATOM 383 CB LEU B 6 1.728 -0.396 -4.590 1.00 0.00 C ATOM 384 CG LEU B 6 3.203 -0.781 -4.458 1.00 0.00 C ATOM 385 CD1 LEU B 6 3.749 -0.257 -3.128 1.00 0.00 C ATOM 386 CD2 LEU B 6 3.338 -2.305 -4.500 1.00 0.00 C ATOM 0 H LEU B 6 2.075 2.001 -3.122 1.00 0.00 H new ATOM 0 HA LEU B 6 1.983 1.202 -6.012 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.210 -0.566 -3.646 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.242 -1.024 -5.337 1.00 0.00 H new ATOM 0 HG LEU B 6 3.768 -0.343 -5.281 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.800 -0.531 -3.033 1.00 0.00 H new ATOM 0 HD12 LEU B 6 3.653 0.828 -3.097 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.184 -0.695 -2.305 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.389 -2.580 -4.406 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.773 -2.743 -3.677 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.948 -2.679 -5.447 1.00 0.00 H new ATOM 398 N CYS B 7 -0.541 1.481 -6.010 1.00 0.00 N ATOM 399 CA CYS B 7 -1.969 1.910 -6.000 1.00 0.00 C ATOM 400 C CYS B 7 -2.822 0.857 -6.709 1.00 0.00 C ATOM 401 O CYS B 7 -3.040 0.922 -7.902 1.00 0.00 O ATOM 402 CB CYS B 7 -2.103 3.248 -6.727 1.00 0.00 C ATOM 403 SG CYS B 7 -0.801 4.372 -6.165 1.00 0.00 S ATOM 0 H CYS B 7 -0.189 1.165 -6.914 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.309 2.020 -4.970 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -2.029 3.098 -7.804 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -3.083 3.683 -6.532 1.00 0.00 H new ATOM 408 N GLY B 8 -3.310 -0.112 -5.983 1.00 0.00 N ATOM 409 CA GLY B 8 -4.151 -1.169 -6.614 1.00 0.00 C ATOM 410 C GLY B 8 -3.303 -1.992 -7.585 1.00 0.00 C ATOM 411 O GLY B 8 -2.860 -3.080 -7.270 1.00 0.00 O ATOM 0 H GLY B 8 -3.162 -0.217 -4.979 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.574 -1.817 -5.846 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -4.988 -0.713 -7.143 1.00 0.00 H new ATOM 415 N SER B 9 -3.075 -1.485 -8.765 1.00 0.00 N ATOM 416 CA SER B 9 -2.260 -2.238 -9.759 1.00 0.00 C ATOM 417 C SER B 9 -0.997 -2.781 -9.086 1.00 0.00 C ATOM 418 O SER B 9 -0.887 -3.959 -8.807 1.00 0.00 O ATOM 419 CB SER B 9 -1.864 -1.305 -10.902 1.00 0.00 C ATOM 420 OG SER B 9 -2.672 -1.586 -12.038 1.00 0.00 O ATOM 0 H SER B 9 -3.419 -0.579 -9.084 1.00 0.00 H new ATOM 0 HA SER B 9 -2.846 -3.069 -10.151 1.00 0.00 H new ATOM 0 HB2 SER B 9 -1.991 -0.266 -10.599 1.00 0.00 H new ATOM 0 HB3 SER B 9 -0.811 -1.439 -11.148 1.00 0.00 H new ATOM 0 HG SER B 9 -2.422 -0.988 -12.773 1.00 0.00 H new ATOM 426 N ASP B 10 -0.040 -1.932 -8.830 1.00 0.00 N ATOM 427 CA ASP B 10 1.219 -2.396 -8.182 1.00 0.00 C ATOM 428 C ASP B 10 0.918 -2.909 -6.773 1.00 0.00 C ATOM 429 O ASP B 10 1.756 -3.515 -6.133 1.00 0.00 O ATOM 430 CB ASP B 10 2.209 -1.232 -8.100 1.00 0.00 C ATOM 431 CG ASP B 10 2.347 -0.580 -9.477 1.00 0.00 C ATOM 432 OD1 ASP B 10 1.590 -0.946 -10.362 1.00 0.00 O ATOM 433 OD2 ASP B 10 3.207 0.272 -9.625 1.00 0.00 O ATOM 0 H ASP B 10 -0.076 -0.935 -9.042 1.00 0.00 H new ATOM 0 HA ASP B 10 1.651 -3.203 -8.774 1.00 0.00 H new ATOM 0 HB2 ASP B 10 1.864 -0.498 -7.372 1.00 0.00 H new ATOM 0 HB3 ASP B 10 3.180 -1.590 -7.757 1.00 0.00 H new ATOM 438 N LEU B 11 -0.267 -2.674 -6.280 1.00 0.00 N ATOM 439 CA LEU B 11 -0.607 -3.154 -4.909 1.00 0.00 C ATOM 440 C LEU B 11 -0.894 -4.651 -4.950 1.00 0.00 C ATOM 441 O LEU B 11 -0.432 -5.406 -4.120 1.00 0.00 O ATOM 442 CB LEU B 11 -1.838 -2.409 -4.390 1.00 0.00 C ATOM 443 CG LEU B 11 -1.406 -1.384 -3.341 1.00 0.00 C ATOM 444 CD1 LEU B 11 -2.644 -0.731 -2.722 1.00 0.00 C ATOM 445 CD2 LEU B 11 -0.601 -2.086 -2.246 1.00 0.00 C ATOM 0 H LEU B 11 -1.012 -2.173 -6.764 1.00 0.00 H new ATOM 0 HA LEU B 11 0.234 -2.964 -4.242 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.349 -1.910 -5.213 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.547 -3.114 -3.956 1.00 0.00 H new ATOM 0 HG LEU B 11 -0.790 -0.619 -3.814 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -2.335 -0.001 -1.974 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -3.220 -0.231 -3.501 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -3.261 -1.495 -2.249 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -0.292 -1.357 -1.497 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.218 -2.851 -1.775 1.00 0.00 H new ATOM 0 HD23 LEU B 11 0.282 -2.551 -2.685 1.00 0.00 H new ATOM 457 N VAL B 12 -1.646 -5.086 -5.915 1.00 0.00 N ATOM 458 CA VAL B 12 -1.954 -6.538 -6.014 1.00 0.00 C ATOM 459 C VAL B 12 -0.697 -7.274 -6.450 1.00 0.00 C ATOM 460 O VAL B 12 -0.402 -8.355 -5.982 1.00 0.00 O ATOM 461 CB VAL B 12 -3.077 -6.764 -7.031 1.00 0.00 C ATOM 462 CG1 VAL B 12 -2.669 -6.186 -8.388 1.00 0.00 C ATOM 463 CG2 VAL B 12 -3.340 -8.264 -7.177 1.00 0.00 C ATOM 0 H VAL B 12 -2.062 -4.502 -6.640 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.283 -6.915 -5.046 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.982 -6.266 -6.683 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.470 -6.349 -9.109 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.483 -5.117 -8.287 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -1.762 -6.680 -8.736 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.139 -8.425 -7.901 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.433 -8.761 -7.522 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.636 -8.677 -6.213 1.00 0.00 H new ATOM 473 N GLU B 13 0.060 -6.684 -7.322 1.00 0.00 N ATOM 474 CA GLU B 13 1.316 -7.336 -7.764 1.00 0.00 C ATOM 475 C GLU B 13 2.229 -7.457 -6.548 1.00 0.00 C ATOM 476 O GLU B 13 3.077 -8.324 -6.470 1.00 0.00 O ATOM 477 CB GLU B 13 1.994 -6.482 -8.836 1.00 0.00 C ATOM 478 CG GLU B 13 2.909 -7.365 -9.685 1.00 0.00 C ATOM 479 CD GLU B 13 2.423 -7.359 -11.134 1.00 0.00 C ATOM 480 OE1 GLU B 13 1.222 -7.289 -11.335 1.00 0.00 O ATOM 481 OE2 GLU B 13 3.260 -7.427 -12.020 1.00 0.00 O ATOM 0 H GLU B 13 -0.136 -5.778 -7.749 1.00 0.00 H new ATOM 0 HA GLU B 13 1.108 -8.319 -8.186 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.243 -6.006 -9.466 1.00 0.00 H new ATOM 0 HB3 GLU B 13 2.571 -5.684 -8.369 1.00 0.00 H new ATOM 0 HG2 GLU B 13 3.935 -7.000 -9.633 1.00 0.00 H new ATOM 0 HG3 GLU B 13 2.913 -8.383 -9.296 1.00 0.00 H new ATOM 488 N ALA B 14 2.044 -6.590 -5.588 1.00 0.00 N ATOM 489 CA ALA B 14 2.881 -6.645 -4.362 1.00 0.00 C ATOM 490 C ALA B 14 2.192 -7.532 -3.326 1.00 0.00 C ATOM 491 O ALA B 14 2.820 -8.053 -2.425 1.00 0.00 O ATOM 492 CB ALA B 14 3.059 -5.233 -3.799 1.00 0.00 C ATOM 0 H ALA B 14 1.347 -5.846 -5.604 1.00 0.00 H new ATOM 0 HA ALA B 14 3.860 -7.058 -4.603 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.673 -5.275 -2.900 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.547 -4.604 -4.543 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.083 -4.814 -3.553 1.00 0.00 H new ATOM 498 N LEU B 15 0.905 -7.727 -3.454 1.00 0.00 N ATOM 499 CA LEU B 15 0.191 -8.599 -2.482 1.00 0.00 C ATOM 500 C LEU B 15 0.256 -10.032 -2.998 1.00 0.00 C ATOM 501 O LEU B 15 0.336 -10.984 -2.247 1.00 0.00 O ATOM 502 CB LEU B 15 -1.269 -8.158 -2.366 1.00 0.00 C ATOM 503 CG LEU B 15 -1.398 -7.105 -1.265 1.00 0.00 C ATOM 504 CD1 LEU B 15 -2.718 -6.351 -1.430 1.00 0.00 C ATOM 505 CD2 LEU B 15 -1.376 -7.792 0.102 1.00 0.00 C ATOM 0 H LEU B 15 0.322 -7.321 -4.186 1.00 0.00 H new ATOM 0 HA LEU B 15 0.655 -8.528 -1.498 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -1.613 -7.750 -3.316 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -1.902 -9.016 -2.139 1.00 0.00 H new ATOM 0 HG LEU B 15 -0.566 -6.404 -1.336 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.809 -5.601 -0.645 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.738 -5.862 -2.404 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -3.549 -7.053 -1.359 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -1.468 -7.042 0.888 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -2.208 -8.493 0.170 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -0.436 -8.331 0.223 1.00 0.00 H new ATOM 517 N TYR B 16 0.240 -10.172 -4.289 1.00 0.00 N ATOM 518 CA TYR B 16 0.318 -11.521 -4.911 1.00 0.00 C ATOM 519 C TYR B 16 1.771 -11.996 -4.868 1.00 0.00 C ATOM 520 O TYR B 16 2.055 -13.176 -4.945 1.00 0.00 O ATOM 521 CB TYR B 16 -0.164 -11.417 -6.362 1.00 0.00 C ATOM 522 CG TYR B 16 0.334 -12.597 -7.168 1.00 0.00 C ATOM 523 CD1 TYR B 16 0.100 -13.905 -6.722 1.00 0.00 C ATOM 524 CD2 TYR B 16 1.033 -12.380 -8.363 1.00 0.00 C ATOM 525 CE1 TYR B 16 0.563 -14.995 -7.472 1.00 0.00 C ATOM 526 CE2 TYR B 16 1.496 -13.470 -9.113 1.00 0.00 C ATOM 527 CZ TYR B 16 1.261 -14.776 -8.668 1.00 0.00 C ATOM 528 OH TYR B 16 1.718 -15.849 -9.407 1.00 0.00 O ATOM 0 H TYR B 16 0.175 -9.399 -4.951 1.00 0.00 H new ATOM 0 HA TYR B 16 -0.308 -12.234 -4.374 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -1.253 -11.384 -6.389 1.00 0.00 H new ATOM 0 HB3 TYR B 16 0.194 -10.488 -6.805 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -0.437 -14.073 -5.800 1.00 0.00 H new ATOM 0 HD2 TYR B 16 1.215 -11.372 -8.706 1.00 0.00 H new ATOM 0 HE1 TYR B 16 0.382 -16.003 -7.129 1.00 0.00 H new ATOM 0 HE2 TYR B 16 2.034 -13.302 -10.034 1.00 0.00 H new ATOM 0 HH TYR B 16 2.180 -15.522 -10.207 1.00 0.00 H new ATOM 538 N LEU B 17 2.694 -11.081 -4.744 1.00 0.00 N ATOM 539 CA LEU B 17 4.131 -11.470 -4.692 1.00 0.00 C ATOM 540 C LEU B 17 4.554 -11.656 -3.236 1.00 0.00 C ATOM 541 O LEU B 17 5.417 -12.451 -2.924 1.00 0.00 O ATOM 542 CB LEU B 17 4.978 -10.372 -5.340 1.00 0.00 C ATOM 543 CG LEU B 17 6.441 -10.811 -5.389 1.00 0.00 C ATOM 544 CD1 LEU B 17 6.655 -11.745 -6.581 1.00 0.00 C ATOM 545 CD2 LEU B 17 7.334 -9.577 -5.544 1.00 0.00 C ATOM 0 H LEU B 17 2.514 -10.079 -4.676 1.00 0.00 H new ATOM 0 HA LEU B 17 4.278 -12.405 -5.232 1.00 0.00 H new ATOM 0 HB2 LEU B 17 4.616 -10.167 -6.347 1.00 0.00 H new ATOM 0 HB3 LEU B 17 4.885 -9.446 -4.773 1.00 0.00 H new ATOM 0 HG LEU B 17 6.695 -11.335 -4.468 1.00 0.00 H new ATOM 0 HD11 LEU B 17 7.699 -12.058 -6.615 1.00 0.00 H new ATOM 0 HD12 LEU B 17 6.017 -12.622 -6.475 1.00 0.00 H new ATOM 0 HD13 LEU B 17 6.402 -11.222 -7.503 1.00 0.00 H new ATOM 0 HD21 LEU B 17 8.379 -9.886 -5.579 1.00 0.00 H new ATOM 0 HD22 LEU B 17 7.078 -9.056 -6.467 1.00 0.00 H new ATOM 0 HD23 LEU B 17 7.182 -8.909 -4.696 1.00 0.00 H new ATOM 557 N VAL B 18 3.942 -10.933 -2.342 1.00 0.00 N ATOM 558 CA VAL B 18 4.298 -11.072 -0.902 1.00 0.00 C ATOM 559 C VAL B 18 3.862 -12.451 -0.420 1.00 0.00 C ATOM 560 O VAL B 18 4.640 -13.215 0.114 1.00 0.00 O ATOM 561 CB VAL B 18 3.584 -9.991 -0.084 1.00 0.00 C ATOM 562 CG1 VAL B 18 3.633 -10.351 1.402 1.00 0.00 C ATOM 563 CG2 VAL B 18 4.280 -8.646 -0.299 1.00 0.00 C ATOM 0 H VAL B 18 3.211 -10.252 -2.545 1.00 0.00 H new ATOM 0 HA VAL B 18 5.375 -10.957 -0.775 1.00 0.00 H new ATOM 0 HB VAL B 18 2.545 -9.924 -0.408 1.00 0.00 H new ATOM 0 HG11 VAL B 18 3.124 -9.580 1.980 1.00 0.00 H new ATOM 0 HG12 VAL B 18 3.138 -11.309 1.561 1.00 0.00 H new ATOM 0 HG13 VAL B 18 4.672 -10.421 1.725 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.772 -7.877 0.283 1.00 0.00 H new ATOM 0 HG22 VAL B 18 5.319 -8.718 0.023 1.00 0.00 H new ATOM 0 HG23 VAL B 18 4.245 -8.383 -1.356 1.00 0.00 H new ATOM 573 N CYS B 19 2.620 -12.771 -0.613 1.00 0.00 N ATOM 574 CA CYS B 19 2.114 -14.101 -0.178 1.00 0.00 C ATOM 575 C CYS B 19 2.015 -15.017 -1.400 1.00 0.00 C ATOM 576 O CYS B 19 2.729 -15.993 -1.517 1.00 0.00 O ATOM 577 CB CYS B 19 0.736 -13.934 0.475 1.00 0.00 C ATOM 578 SG CYS B 19 0.734 -12.422 1.475 1.00 0.00 S ATOM 0 H CYS B 19 1.927 -12.168 -1.056 1.00 0.00 H new ATOM 0 HA CYS B 19 2.795 -14.543 0.549 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -0.039 -13.880 -0.290 1.00 0.00 H new ATOM 0 HB3 CYS B 19 0.508 -14.798 1.099 1.00 0.00 H new ATOM 583 N GLY B 20 1.141 -14.704 -2.318 1.00 0.00 N ATOM 584 CA GLY B 20 1.001 -15.547 -3.542 1.00 0.00 C ATOM 585 C GLY B 20 0.803 -17.015 -3.154 1.00 0.00 C ATOM 586 O GLY B 20 0.980 -17.900 -3.964 1.00 0.00 O ATOM 0 H GLY B 20 0.516 -13.899 -2.274 1.00 0.00 H new ATOM 0 HA2 GLY B 20 0.153 -15.203 -4.135 1.00 0.00 H new ATOM 0 HA3 GLY B 20 1.889 -15.445 -4.166 1.00 0.00 H new ATOM 590 N GLU B 21 0.427 -17.269 -1.927 1.00 0.00 N ATOM 591 CA GLU B 21 0.201 -18.671 -1.461 1.00 0.00 C ATOM 592 C GLU B 21 0.353 -18.711 0.062 1.00 0.00 C ATOM 593 O GLU B 21 1.103 -19.491 0.613 1.00 0.00 O ATOM 594 CB GLU B 21 1.211 -19.631 -2.098 1.00 0.00 C ATOM 595 CG GLU B 21 1.106 -20.990 -1.407 1.00 0.00 C ATOM 596 CD GLU B 21 0.976 -22.093 -2.458 1.00 0.00 C ATOM 597 OE1 GLU B 21 1.468 -21.898 -3.557 1.00 0.00 O ATOM 598 OE2 GLU B 21 0.385 -23.113 -2.146 1.00 0.00 O ATOM 0 H GLU B 21 0.265 -16.554 -1.218 1.00 0.00 H new ATOM 0 HA GLU B 21 -0.800 -18.985 -1.755 1.00 0.00 H new ATOM 0 HB2 GLU B 21 1.012 -19.734 -3.165 1.00 0.00 H new ATOM 0 HB3 GLU B 21 2.222 -19.235 -1.999 1.00 0.00 H new ATOM 0 HG2 GLU B 21 1.987 -21.164 -0.790 1.00 0.00 H new ATOM 0 HG3 GLU B 21 0.243 -21.005 -0.741 1.00 0.00 H new ATOM 605 N ARG B 22 -0.357 -17.865 0.744 1.00 0.00 N ATOM 606 CA ARG B 22 -0.269 -17.836 2.231 1.00 0.00 C ATOM 607 C ARG B 22 -1.634 -17.457 2.807 1.00 0.00 C ATOM 608 O ARG B 22 -1.762 -17.126 3.969 1.00 0.00 O ATOM 609 CB ARG B 22 0.772 -16.800 2.663 1.00 0.00 C ATOM 610 CG ARG B 22 1.822 -17.472 3.549 1.00 0.00 C ATOM 611 CD ARG B 22 3.154 -17.537 2.801 1.00 0.00 C ATOM 612 NE ARG B 22 3.980 -18.647 3.353 1.00 0.00 N ATOM 613 CZ ARG B 22 4.844 -19.260 2.591 1.00 0.00 C ATOM 614 NH1 ARG B 22 5.403 -18.625 1.596 1.00 0.00 N ATOM 615 NH2 ARG B 22 5.152 -20.508 2.825 1.00 0.00 N ATOM 0 H ARG B 22 -1.000 -17.186 0.336 1.00 0.00 H new ATOM 0 HA ARG B 22 0.026 -18.819 2.599 1.00 0.00 H new ATOM 0 HB2 ARG B 22 1.248 -16.360 1.787 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.289 -15.987 3.206 1.00 0.00 H new ATOM 0 HG2 ARG B 22 1.941 -16.914 4.478 1.00 0.00 H new ATOM 0 HG3 ARG B 22 1.496 -18.476 3.820 1.00 0.00 H new ATOM 0 HD2 ARG B 22 2.978 -17.695 1.737 1.00 0.00 H new ATOM 0 HD3 ARG B 22 3.685 -16.590 2.900 1.00 0.00 H new ATOM 0 HE ARG B 22 3.870 -18.928 4.327 1.00 0.00 H new ATOM 0 HH11 ARG B 22 5.164 -17.650 1.415 1.00 0.00 H new ATOM 0 HH12 ARG B 22 6.078 -19.104 1.000 1.00 0.00 H new ATOM 0 HH21 ARG B 22 4.717 -21.003 3.603 1.00 0.00 H new ATOM 0 HH22 ARG B 22 5.827 -20.987 2.229 1.00 0.00 H new ATOM 629 N GLY B 23 -2.653 -17.491 1.995 1.00 0.00 N ATOM 630 CA GLY B 23 -4.014 -17.124 2.478 1.00 0.00 C ATOM 631 C GLY B 23 -4.365 -15.737 1.942 1.00 0.00 C ATOM 632 O GLY B 23 -5.239 -15.063 2.448 1.00 0.00 O ATOM 0 H GLY B 23 -2.602 -17.759 1.012 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -4.746 -17.857 2.139 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -4.042 -17.127 3.568 1.00 0.00 H new ATOM 636 N PHE B 24 -3.677 -15.307 0.920 1.00 0.00 N ATOM 637 CA PHE B 24 -3.949 -13.965 0.341 1.00 0.00 C ATOM 638 C PHE B 24 -5.319 -13.966 -0.343 1.00 0.00 C ATOM 639 O PHE B 24 -5.728 -14.946 -0.934 1.00 0.00 O ATOM 640 CB PHE B 24 -2.865 -13.639 -0.690 1.00 0.00 C ATOM 641 CG PHE B 24 -3.251 -12.404 -1.468 1.00 0.00 C ATOM 642 CD1 PHE B 24 -3.531 -11.209 -0.794 1.00 0.00 C ATOM 643 CD2 PHE B 24 -3.323 -12.454 -2.868 1.00 0.00 C ATOM 644 CE1 PHE B 24 -3.883 -10.062 -1.519 1.00 0.00 C ATOM 645 CE2 PHE B 24 -3.674 -11.307 -3.592 1.00 0.00 C ATOM 646 CZ PHE B 24 -3.955 -10.112 -2.918 1.00 0.00 C ATOM 0 H PHE B 24 -2.934 -15.833 0.460 1.00 0.00 H new ATOM 0 HA PHE B 24 -3.945 -13.216 1.133 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -1.910 -13.480 -0.189 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -2.732 -14.481 -1.370 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -3.476 -11.171 0.284 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -3.108 -13.376 -3.387 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -4.099 -9.140 -1.000 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -3.728 -11.344 -4.670 1.00 0.00 H new ATOM 0 HZ PHE B 24 -4.227 -9.229 -3.476 1.00 0.00 H new ATOM 656 N PHE B 25 -6.028 -12.871 -0.277 1.00 0.00 N ATOM 657 CA PHE B 25 -7.366 -12.807 -0.931 1.00 0.00 C ATOM 658 C PHE B 25 -7.627 -11.372 -1.404 1.00 0.00 C ATOM 659 O PHE B 25 -7.718 -10.453 -0.614 1.00 0.00 O ATOM 660 CB PHE B 25 -8.451 -13.261 0.060 1.00 0.00 C ATOM 661 CG PHE B 25 -8.906 -12.107 0.929 1.00 0.00 C ATOM 662 CD1 PHE B 25 -9.960 -11.285 0.502 1.00 0.00 C ATOM 663 CD2 PHE B 25 -8.280 -11.862 2.158 1.00 0.00 C ATOM 664 CE1 PHE B 25 -10.387 -10.219 1.306 1.00 0.00 C ATOM 665 CE2 PHE B 25 -8.707 -10.795 2.961 1.00 0.00 C ATOM 666 CZ PHE B 25 -9.760 -9.974 2.535 1.00 0.00 C ATOM 0 H PHE B 25 -5.738 -12.018 0.202 1.00 0.00 H new ATOM 0 HA PHE B 25 -7.390 -13.473 -1.794 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -9.302 -13.667 -0.487 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -8.063 -14.063 0.688 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -10.442 -11.474 -0.446 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -7.469 -12.495 2.487 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -11.199 -9.587 0.978 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -8.224 -10.606 3.908 1.00 0.00 H new ATOM 0 HZ PHE B 25 -10.088 -9.152 3.154 1.00 0.00 H new ATOM 676 N TYR B 26 -7.732 -11.173 -2.689 1.00 0.00 N ATOM 677 CA TYR B 26 -7.973 -9.800 -3.212 1.00 0.00 C ATOM 678 C TYR B 26 -8.715 -9.884 -4.549 1.00 0.00 C ATOM 679 O TYR B 26 -8.347 -10.637 -5.428 1.00 0.00 O ATOM 680 CB TYR B 26 -6.627 -9.095 -3.409 1.00 0.00 C ATOM 681 CG TYR B 26 -6.855 -7.640 -3.735 1.00 0.00 C ATOM 682 CD1 TYR B 26 -7.814 -6.905 -3.026 1.00 0.00 C ATOM 683 CD2 TYR B 26 -6.104 -7.020 -4.744 1.00 0.00 C ATOM 684 CE1 TYR B 26 -8.024 -5.554 -3.326 1.00 0.00 C ATOM 685 CE2 TYR B 26 -6.313 -5.668 -5.043 1.00 0.00 C ATOM 686 CZ TYR B 26 -7.275 -4.935 -4.335 1.00 0.00 C ATOM 687 OH TYR B 26 -7.482 -3.603 -4.629 1.00 0.00 O ATOM 0 H TYR B 26 -7.661 -11.902 -3.399 1.00 0.00 H new ATOM 0 HA TYR B 26 -8.579 -9.236 -2.503 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -6.024 -9.184 -2.506 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -6.069 -9.574 -4.214 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -8.392 -7.381 -2.247 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -5.364 -7.586 -5.291 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -8.764 -4.988 -2.779 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -5.733 -5.190 -5.819 1.00 0.00 H new ATOM 0 HH TYR B 26 -6.880 -3.330 -5.353 1.00 0.00 H new ATOM 697 N THR B 27 -9.762 -9.119 -4.705 1.00 0.00 N ATOM 698 CA THR B 27 -10.531 -9.158 -5.981 1.00 0.00 C ATOM 699 C THR B 27 -9.820 -8.307 -7.034 1.00 0.00 C ATOM 700 O THR B 27 -9.168 -7.331 -6.721 1.00 0.00 O ATOM 701 CB THR B 27 -11.938 -8.605 -5.744 1.00 0.00 C ATOM 702 OG1 THR B 27 -12.592 -9.385 -4.752 1.00 0.00 O ATOM 703 CG2 THR B 27 -12.737 -8.660 -7.046 1.00 0.00 C ATOM 0 H THR B 27 -10.117 -8.469 -4.004 1.00 0.00 H new ATOM 0 HA THR B 27 -10.598 -10.188 -6.333 1.00 0.00 H new ATOM 0 HB THR B 27 -11.869 -7.571 -5.407 1.00 0.00 H new ATOM 0 HG1 THR B 27 -13.493 -9.030 -4.598 1.00 0.00 H new ATOM 0 HG21 THR B 27 -13.739 -8.266 -6.875 1.00 0.00 H new ATOM 0 HG22 THR B 27 -12.236 -8.061 -7.806 1.00 0.00 H new ATOM 0 HG23 THR B 27 -12.807 -9.693 -7.387 1.00 0.00 H new ATOM 711 N LYS B 28 -9.941 -8.669 -8.282 1.00 0.00 N ATOM 712 CA LYS B 28 -9.272 -7.879 -9.355 1.00 0.00 C ATOM 713 C LYS B 28 -10.341 -7.244 -10.256 1.00 0.00 C ATOM 714 O LYS B 28 -11.196 -7.937 -10.774 1.00 0.00 O ATOM 715 CB LYS B 28 -8.388 -8.811 -10.190 1.00 0.00 C ATOM 716 CG LYS B 28 -7.567 -7.987 -11.184 1.00 0.00 C ATOM 717 CD LYS B 28 -6.079 -8.291 -10.996 1.00 0.00 C ATOM 718 CE LYS B 28 -5.412 -8.443 -12.364 1.00 0.00 C ATOM 719 NZ LYS B 28 -3.930 -8.459 -12.198 1.00 0.00 N ATOM 0 H LYS B 28 -10.474 -9.477 -8.605 1.00 0.00 H new ATOM 0 HA LYS B 28 -8.658 -7.096 -8.910 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -7.725 -9.380 -9.538 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -9.006 -9.533 -10.724 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -7.870 -8.221 -12.204 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -7.753 -6.924 -11.032 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -5.601 -7.489 -10.434 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -5.954 -9.205 -10.415 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -5.745 -9.364 -12.842 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -5.706 -7.621 -13.017 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -3.478 -8.562 -13.129 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -3.620 -7.568 -11.759 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -3.657 -9.257 -11.590 1.00 0.00 H new ATOM 733 N PRO B 29 -10.265 -5.945 -10.422 1.00 0.00 N ATOM 734 CA PRO B 29 -11.222 -5.199 -11.259 1.00 0.00 C ATOM 735 C PRO B 29 -10.908 -5.400 -12.741 1.00 0.00 C ATOM 736 O PRO B 29 -11.503 -6.222 -13.409 1.00 0.00 O ATOM 737 CB PRO B 29 -11.005 -3.740 -10.843 1.00 0.00 C ATOM 738 CG PRO B 29 -9.589 -3.668 -10.226 1.00 0.00 C ATOM 739 CD PRO B 29 -9.224 -5.101 -9.796 1.00 0.00 C ATOM 0 HA PRO B 29 -12.253 -5.524 -11.124 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -11.088 -3.075 -11.702 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -11.759 -3.425 -10.122 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -8.870 -3.286 -10.950 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -9.572 -2.991 -9.372 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -8.227 -5.378 -10.139 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -9.227 -5.204 -8.711 1.00 0.00 H new ATOM 747 N THR B 30 -9.977 -4.653 -13.255 1.00 0.00 N ATOM 748 CA THR B 30 -9.616 -4.792 -14.694 1.00 0.00 C ATOM 749 C THR B 30 -8.169 -5.273 -14.812 1.00 0.00 C ATOM 750 O THR B 30 -7.291 -4.429 -14.888 1.00 0.00 O ATOM 751 CB THR B 30 -9.763 -3.435 -15.387 1.00 0.00 C ATOM 752 OG1 THR B 30 -11.093 -2.961 -15.219 1.00 0.00 O ATOM 753 CG2 THR B 30 -9.457 -3.585 -16.879 1.00 0.00 C ATOM 754 OXT THR B 30 -7.963 -6.476 -14.823 1.00 0.00 O ATOM 0 H THR B 30 -9.447 -3.949 -12.741 1.00 0.00 H new ATOM 0 HA THR B 30 -10.278 -5.516 -15.169 1.00 0.00 H new ATOM 0 HB THR B 30 -9.065 -2.724 -14.946 1.00 0.00 H new ATOM 0 HG1 THR B 30 -11.189 -2.091 -15.661 1.00 0.00 H new ATOM 0 HG21 THR B 30 -9.562 -2.618 -17.371 1.00 0.00 H new ATOM 0 HG22 THR B 30 -8.437 -3.948 -17.007 1.00 0.00 H new ATOM 0 HG23 THR B 30 -10.153 -4.296 -17.324 1.00 0.00 H new TER 762 THR B 30