USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 381 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+ -144:sc= 1.2 (180deg=0.398) USER MOD Single : A 5 GLN : amide:sc= -0.0245 K(o=-0.025,f=-0.9) USER MOD Single : A 8 THR OG1 : rot -58:sc= 1.24 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.185 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.17) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.0692 X(o=0.069,f=-0.0021) USER MOD Single : B 1 PHE N :NH3+ 149:sc= 0.209 (180deg=0.0113) USER MOD Single : B 3 ASN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HE2:sc= 0.944 K(o=0.94,f=-2.8!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HE2:sc= 1.06 K(o=1.1,f=-3.2!) 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 -140:sc= 0.444 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc=0.000783 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.569 10.326 -1.569 1.00 0.00 N ATOM 2 CA GLY A 1 -3.881 9.102 -2.336 1.00 0.00 C ATOM 3 C GLY A 1 -2.648 8.492 -2.984 1.00 0.00 C ATOM 4 O GLY A 1 -1.656 9.179 -3.228 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.171 10.368 -0.722 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.569 10.311 -1.283 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.747 11.162 -2.161 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.340 8.368 -1.673 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.614 9.337 -3.107 1.00 0.00 H new ATOM 10 N ILE A 2 -2.692 7.187 -3.278 1.00 0.00 N ATOM 11 CA ILE A 2 -1.526 6.405 -3.734 1.00 0.00 C ATOM 12 C ILE A 2 -1.020 6.834 -5.114 1.00 0.00 C ATOM 13 O ILE A 2 0.190 6.927 -5.294 1.00 0.00 O ATOM 14 CB ILE A 2 -1.802 4.882 -3.630 1.00 0.00 C ATOM 15 CG1 ILE A 2 -0.562 3.998 -3.909 1.00 0.00 C ATOM 16 CG2 ILE A 2 -2.950 4.411 -4.538 1.00 0.00 C ATOM 17 CD1 ILE A 2 0.645 4.268 -3.001 1.00 0.00 C ATOM 0 H ILE A 2 -3.546 6.634 -3.207 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.703 6.627 -3.055 1.00 0.00 H new ATOM 0 HB ILE A 2 -2.091 4.752 -2.587 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.849 2.952 -3.804 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.257 4.143 -4.946 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -3.092 3.337 -4.418 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.868 4.931 -4.264 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.705 4.631 -5.577 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.462 3.600 -3.274 1.00 0.00 H new ATOM 0 HD12 ILE A 2 0.966 5.303 -3.121 1.00 0.00 H new ATOM 0 HD13 ILE A 2 0.365 4.093 -1.962 1.00 0.00 H new ATOM 29 N VAL A 3 -1.903 7.182 -6.052 1.00 0.00 N ATOM 30 CA VAL A 3 -1.470 7.707 -7.363 1.00 0.00 C ATOM 31 C VAL A 3 -0.875 9.114 -7.234 1.00 0.00 C ATOM 32 O VAL A 3 0.121 9.386 -7.887 1.00 0.00 O ATOM 33 CB VAL A 3 -2.598 7.679 -8.412 1.00 0.00 C ATOM 34 CG1 VAL A 3 -2.185 8.305 -9.754 1.00 0.00 C ATOM 35 CG2 VAL A 3 -3.035 6.240 -8.702 1.00 0.00 C ATOM 0 H VAL A 3 -2.914 7.114 -5.937 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.687 7.038 -7.720 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.410 8.263 -7.979 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.021 8.255 -10.451 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.903 9.346 -9.598 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.337 7.757 -10.165 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.832 6.245 -9.445 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.187 5.672 -9.083 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.398 5.778 -7.784 1.00 0.00 H new ATOM 45 N GLU A 4 -1.416 9.993 -6.376 1.00 0.00 N ATOM 46 CA GLU A 4 -0.812 11.313 -6.129 1.00 0.00 C ATOM 47 C GLU A 4 0.633 11.156 -5.631 1.00 0.00 C ATOM 48 O GLU A 4 1.544 11.800 -6.155 1.00 0.00 O ATOM 49 CB GLU A 4 -1.602 12.116 -5.084 1.00 0.00 C ATOM 50 CG GLU A 4 -3.048 12.427 -5.474 1.00 0.00 C ATOM 51 CD GLU A 4 -3.754 13.144 -4.312 1.00 0.00 C ATOM 52 OE1 GLU A 4 -4.083 12.464 -3.312 1.00 0.00 O ATOM 53 OE2 GLU A 4 -3.949 14.381 -4.377 1.00 0.00 O ATOM 0 H GLU A 4 -2.267 9.815 -5.843 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.830 11.852 -7.076 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.605 11.561 -4.146 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.081 13.055 -4.897 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.068 13.053 -6.366 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.575 11.505 -5.719 1.00 0.00 H new ATOM 60 N GLN A 5 0.846 10.255 -4.665 1.00 0.00 N ATOM 61 CA GLN A 5 2.161 9.963 -4.092 1.00 0.00 C ATOM 62 C GLN A 5 3.101 9.363 -5.147 1.00 0.00 C ATOM 63 O GLN A 5 4.177 9.901 -5.388 1.00 0.00 O ATOM 64 CB GLN A 5 1.968 9.022 -2.884 1.00 0.00 C ATOM 65 CG GLN A 5 3.262 8.738 -2.099 1.00 0.00 C ATOM 66 CD GLN A 5 3.795 9.967 -1.356 1.00 0.00 C ATOM 67 OE1 GLN A 5 4.767 10.599 -1.747 1.00 0.00 O ATOM 68 NE2 GLN A 5 3.174 10.373 -0.270 1.00 0.00 N ATOM 0 H GLN A 5 0.095 9.700 -4.254 1.00 0.00 H new ATOM 0 HA GLN A 5 2.634 10.884 -3.752 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.234 9.461 -2.208 1.00 0.00 H new ATOM 0 HB3 GLN A 5 1.553 8.077 -3.235 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.077 7.939 -1.381 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.026 8.377 -2.788 1.00 0.00 H new ATOM 0 HE21 GLN A 5 2.361 9.862 0.074 1.00 0.00 H new ATOM 0 HE22 GLN A 5 3.505 11.199 0.228 1.00 0.00 H new ATOM 77 N CYS A 6 2.708 8.258 -5.787 1.00 0.00 N ATOM 78 CA CYS A 6 3.604 7.463 -6.638 1.00 0.00 C ATOM 79 C CYS A 6 3.825 8.032 -8.050 1.00 0.00 C ATOM 80 O CYS A 6 4.754 7.615 -8.748 1.00 0.00 O ATOM 81 CB CYS A 6 3.047 6.043 -6.701 1.00 0.00 C ATOM 82 SG CYS A 6 4.293 4.791 -7.084 1.00 0.00 S ATOM 0 H CYS A 6 1.759 7.887 -5.731 1.00 0.00 H new ATOM 0 HA CYS A 6 4.595 7.486 -6.185 1.00 0.00 H new ATOM 0 HB2 CYS A 6 2.584 5.801 -5.745 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.261 6.003 -7.455 1.00 0.00 H new ATOM 87 N CYS A 7 2.982 8.976 -8.481 1.00 0.00 N ATOM 88 CA CYS A 7 3.096 9.632 -9.793 1.00 0.00 C ATOM 89 C CYS A 7 3.912 10.941 -9.733 1.00 0.00 C ATOM 90 O CYS A 7 4.591 11.272 -10.712 1.00 0.00 O ATOM 91 CB CYS A 7 1.682 9.861 -10.344 1.00 0.00 C ATOM 92 SG CYS A 7 1.556 10.302 -12.094 1.00 0.00 S ATOM 0 H CYS A 7 2.194 9.311 -7.927 1.00 0.00 H new ATOM 0 HA CYS A 7 3.651 8.981 -10.468 1.00 0.00 H new ATOM 0 HB2 CYS A 7 1.101 8.954 -10.179 1.00 0.00 H new ATOM 0 HB3 CYS A 7 1.212 10.652 -9.759 1.00 0.00 H new ATOM 97 N THR A 8 3.877 11.666 -8.602 1.00 0.00 N ATOM 98 CA THR A 8 4.680 12.894 -8.376 1.00 0.00 C ATOM 99 C THR A 8 5.995 12.598 -7.654 1.00 0.00 C ATOM 100 O THR A 8 7.041 13.102 -8.062 1.00 0.00 O ATOM 101 CB THR A 8 3.886 13.981 -7.636 1.00 0.00 C ATOM 102 OG1 THR A 8 3.553 13.586 -6.325 1.00 0.00 O ATOM 103 CG2 THR A 8 2.609 14.371 -8.382 1.00 0.00 C ATOM 0 H THR A 8 3.287 11.419 -7.808 1.00 0.00 H new ATOM 0 HA THR A 8 4.924 13.280 -9.365 1.00 0.00 H new ATOM 0 HB THR A 8 4.543 14.850 -7.590 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.037 12.753 -6.355 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.081 15.142 -7.821 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.867 14.753 -9.370 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.968 13.496 -8.488 1.00 0.00 H new ATOM 111 N SER A 9 5.955 11.752 -6.629 1.00 0.00 N ATOM 112 CA SER A 9 7.111 11.135 -5.969 1.00 0.00 C ATOM 113 C SER A 9 7.159 9.636 -6.329 1.00 0.00 C ATOM 114 O SER A 9 6.908 9.281 -7.483 1.00 0.00 O ATOM 115 CB SER A 9 7.044 11.411 -4.452 1.00 0.00 C ATOM 116 OG SER A 9 7.079 12.805 -4.177 1.00 0.00 O ATOM 0 H SER A 9 5.071 11.460 -6.211 1.00 0.00 H new ATOM 0 HA SER A 9 8.047 11.571 -6.319 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.130 10.981 -4.042 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.879 10.919 -3.954 1.00 0.00 H new ATOM 0 HG SER A 9 7.033 12.949 -3.209 1.00 0.00 H new ATOM 122 N ILE A 10 7.503 8.743 -5.394 1.00 0.00 N ATOM 123 CA ILE A 10 7.690 7.296 -5.633 1.00 0.00 C ATOM 124 C ILE A 10 6.877 6.429 -4.659 1.00 0.00 C ATOM 125 O ILE A 10 6.471 6.883 -3.586 1.00 0.00 O ATOM 126 CB ILE A 10 9.194 6.919 -5.554 1.00 0.00 C ATOM 127 CG1 ILE A 10 9.841 7.354 -4.215 1.00 0.00 C ATOM 128 CG2 ILE A 10 9.940 7.505 -6.766 1.00 0.00 C ATOM 129 CD1 ILE A 10 11.213 6.726 -3.954 1.00 0.00 C ATOM 0 H ILE A 10 7.665 9.008 -4.422 1.00 0.00 H new ATOM 0 HA ILE A 10 7.318 7.092 -6.637 1.00 0.00 H new ATOM 0 HB ILE A 10 9.274 5.832 -5.585 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.942 8.439 -4.208 1.00 0.00 H new ATOM 0 HG13 ILE A 10 9.171 7.091 -3.397 1.00 0.00 H new ATOM 0 HG21 ILE A 10 10.995 7.239 -6.707 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.514 7.102 -7.685 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.839 8.590 -6.765 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.599 7.080 -2.998 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.117 5.641 -3.927 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.901 7.010 -4.751 1.00 0.00 H new ATOM 141 N CYS A 11 6.703 5.154 -5.007 1.00 0.00 N ATOM 142 CA CYS A 11 6.199 4.092 -4.125 1.00 0.00 C ATOM 143 C CYS A 11 6.866 2.747 -4.451 1.00 0.00 C ATOM 144 O CYS A 11 7.512 2.590 -5.488 1.00 0.00 O ATOM 145 CB CYS A 11 4.664 3.998 -4.183 1.00 0.00 C ATOM 146 SG CYS A 11 3.933 3.340 -5.708 1.00 0.00 S ATOM 0 H CYS A 11 6.916 4.816 -5.945 1.00 0.00 H new ATOM 0 HA CYS A 11 6.465 4.350 -3.100 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.332 3.375 -3.352 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.257 4.995 -4.016 1.00 0.00 H new ATOM 151 N SER A 12 6.729 1.772 -3.556 1.00 0.00 N ATOM 152 CA SER A 12 7.251 0.411 -3.724 1.00 0.00 C ATOM 153 C SER A 12 6.128 -0.621 -3.894 1.00 0.00 C ATOM 154 O SER A 12 4.971 -0.387 -3.531 1.00 0.00 O ATOM 155 CB SER A 12 8.119 0.053 -2.508 1.00 0.00 C ATOM 156 OG SER A 12 7.332 0.004 -1.329 1.00 0.00 O ATOM 0 H SER A 12 6.240 1.906 -2.671 1.00 0.00 H new ATOM 0 HA SER A 12 7.849 0.386 -4.635 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.601 -0.911 -2.670 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.913 0.791 -2.391 1.00 0.00 H new ATOM 0 HG SER A 12 7.901 -0.227 -0.565 1.00 0.00 H new ATOM 162 N LEU A 13 6.483 -1.819 -4.376 1.00 0.00 N ATOM 163 CA LEU A 13 5.578 -2.972 -4.410 1.00 0.00 C ATOM 164 C LEU A 13 5.096 -3.351 -3.001 1.00 0.00 C ATOM 165 O LEU A 13 3.953 -3.757 -2.808 1.00 0.00 O ATOM 166 CB LEU A 13 6.312 -4.151 -5.069 1.00 0.00 C ATOM 167 CG LEU A 13 6.844 -3.898 -6.501 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.471 -5.191 -7.048 1.00 0.00 C ATOM 169 CD2 LEU A 13 5.767 -3.399 -7.477 1.00 0.00 C ATOM 0 H LEU A 13 7.410 -2.015 -4.754 1.00 0.00 H new ATOM 0 HA LEU A 13 4.692 -2.714 -4.990 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.152 -4.432 -4.434 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.635 -5.005 -5.099 1.00 0.00 H new ATOM 0 HG LEU A 13 7.587 -3.105 -6.424 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.846 -5.015 -8.056 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.294 -5.497 -6.403 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.718 -5.978 -7.073 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.211 -3.243 -8.460 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.972 -4.141 -7.551 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.353 -2.459 -7.113 1.00 0.00 H new ATOM 181 N TYR A 14 5.945 -3.144 -1.995 1.00 0.00 N ATOM 182 CA TYR A 14 5.641 -3.352 -0.576 1.00 0.00 C ATOM 183 C TYR A 14 4.641 -2.322 -0.016 1.00 0.00 C ATOM 184 O TYR A 14 3.848 -2.652 0.866 1.00 0.00 O ATOM 185 CB TYR A 14 6.961 -3.346 0.210 1.00 0.00 C ATOM 186 CG TYR A 14 7.873 -4.523 -0.101 1.00 0.00 C ATOM 187 CD1 TYR A 14 8.645 -4.539 -1.284 1.00 0.00 C ATOM 188 CD2 TYR A 14 7.938 -5.617 0.780 1.00 0.00 C ATOM 189 CE1 TYR A 14 9.450 -5.647 -1.596 1.00 0.00 C ATOM 190 CE2 TYR A 14 8.759 -6.723 0.486 1.00 0.00 C ATOM 191 CZ TYR A 14 9.518 -6.740 -0.707 1.00 0.00 C ATOM 192 OH TYR A 14 10.323 -7.799 -1.006 1.00 0.00 O ATOM 0 H TYR A 14 6.898 -2.815 -2.149 1.00 0.00 H new ATOM 0 HA TYR A 14 5.146 -4.317 -0.466 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.495 -2.420 -0.004 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.737 -3.346 1.277 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.616 -3.692 -1.954 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.354 -5.609 1.689 1.00 0.00 H new ATOM 0 HE1 TYR A 14 10.016 -5.662 -2.516 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.809 -7.557 1.171 1.00 0.00 H new ATOM 0 HH TYR A 14 10.260 -8.469 -0.294 1.00 0.00 H new ATOM 202 N GLN A 15 4.613 -1.104 -0.566 1.00 0.00 N ATOM 203 CA GLN A 15 3.558 -0.123 -0.287 1.00 0.00 C ATOM 204 C GLN A 15 2.261 -0.476 -1.020 1.00 0.00 C ATOM 205 O GLN A 15 1.193 -0.376 -0.420 1.00 0.00 O ATOM 206 CB GLN A 15 4.020 1.302 -0.648 1.00 0.00 C ATOM 207 CG GLN A 15 5.032 1.879 0.356 1.00 0.00 C ATOM 208 CD GLN A 15 4.402 2.153 1.724 1.00 0.00 C ATOM 209 OE1 GLN A 15 4.474 1.347 2.642 1.00 0.00 O ATOM 210 NE2 GLN A 15 3.729 3.272 1.907 1.00 0.00 N ATOM 0 H GLN A 15 5.322 -0.769 -1.218 1.00 0.00 H new ATOM 0 HA GLN A 15 3.355 -0.153 0.783 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.468 1.292 -1.642 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.151 1.958 -0.697 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.861 1.182 0.474 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.448 2.805 -0.042 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.659 3.954 1.152 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.278 3.455 2.803 1.00 0.00 H new ATOM 219 N LEU A 16 2.319 -0.951 -2.275 1.00 0.00 N ATOM 220 CA LEU A 16 1.130 -1.460 -2.980 1.00 0.00 C ATOM 221 C LEU A 16 0.525 -2.683 -2.266 1.00 0.00 C ATOM 222 O LEU A 16 -0.696 -2.807 -2.197 1.00 0.00 O ATOM 223 CB LEU A 16 1.478 -1.772 -4.451 1.00 0.00 C ATOM 224 CG LEU A 16 1.893 -0.557 -5.313 1.00 0.00 C ATOM 225 CD1 LEU A 16 2.208 -1.035 -6.737 1.00 0.00 C ATOM 226 CD2 LEU A 16 0.820 0.541 -5.367 1.00 0.00 C ATOM 0 H LEU A 16 3.178 -0.993 -2.823 1.00 0.00 H new ATOM 0 HA LEU A 16 0.366 -0.683 -2.967 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.289 -2.500 -4.467 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.615 -2.247 -4.917 1.00 0.00 H new ATOM 0 HG LEU A 16 2.773 -0.115 -4.845 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.501 -0.183 -7.350 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.023 -1.758 -6.706 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.323 -1.504 -7.167 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.173 1.365 -5.987 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.097 0.133 -5.793 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.621 0.905 -4.359 1.00 0.00 H new ATOM 238 N GLU A 17 1.352 -3.538 -1.658 1.00 0.00 N ATOM 239 CA GLU A 17 0.909 -4.679 -0.846 1.00 0.00 C ATOM 240 C GLU A 17 0.076 -4.240 0.378 1.00 0.00 C ATOM 241 O GLU A 17 -0.839 -4.956 0.794 1.00 0.00 O ATOM 242 CB GLU A 17 2.134 -5.505 -0.426 1.00 0.00 C ATOM 243 CG GLU A 17 1.756 -6.871 0.158 1.00 0.00 C ATOM 244 CD GLU A 17 3.004 -7.692 0.498 1.00 0.00 C ATOM 245 OE1 GLU A 17 3.533 -7.554 1.625 1.00 0.00 O ATOM 246 OE2 GLU A 17 3.456 -8.493 -0.354 1.00 0.00 O ATOM 0 H GLU A 17 2.367 -3.457 -1.716 1.00 0.00 H new ATOM 0 HA GLU A 17 0.247 -5.298 -1.453 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.782 -5.651 -1.290 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.708 -4.945 0.312 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.153 -6.732 1.056 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.141 -7.418 -0.557 1.00 0.00 H new ATOM 253 N ASN A 18 0.333 -3.046 0.928 1.00 0.00 N ATOM 254 CA ASN A 18 -0.452 -2.473 2.031 1.00 0.00 C ATOM 255 C ASN A 18 -1.853 -1.989 1.584 1.00 0.00 C ATOM 256 O ASN A 18 -2.769 -1.919 2.406 1.00 0.00 O ATOM 257 CB ASN A 18 0.358 -1.338 2.679 1.00 0.00 C ATOM 258 CG ASN A 18 -0.253 -0.862 3.990 1.00 0.00 C ATOM 259 OD1 ASN A 18 -0.838 0.213 4.074 1.00 0.00 O ATOM 260 ND2 ASN A 18 -0.138 -1.639 5.058 1.00 0.00 N ATOM 0 H ASN A 18 1.097 -2.446 0.618 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.637 -3.258 2.764 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.377 -1.680 2.860 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.422 -0.499 1.986 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.536 -1.343 5.949 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.348 -2.533 4.988 1.00 0.00 H new ATOM 267 N TYR A 19 -2.044 -1.698 0.291 1.00 0.00 N ATOM 268 CA TYR A 19 -3.343 -1.366 -0.312 1.00 0.00 C ATOM 269 C TYR A 19 -4.167 -2.605 -0.738 1.00 0.00 C ATOM 270 O TYR A 19 -5.350 -2.464 -1.051 1.00 0.00 O ATOM 271 CB TYR A 19 -3.128 -0.389 -1.484 1.00 0.00 C ATOM 272 CG TYR A 19 -3.029 1.063 -1.053 1.00 0.00 C ATOM 273 CD1 TYR A 19 -1.816 1.583 -0.569 1.00 0.00 C ATOM 274 CD2 TYR A 19 -4.165 1.895 -1.112 1.00 0.00 C ATOM 275 CE1 TYR A 19 -1.733 2.921 -0.134 1.00 0.00 C ATOM 276 CE2 TYR A 19 -4.095 3.239 -0.690 1.00 0.00 C ATOM 277 CZ TYR A 19 -2.876 3.753 -0.191 1.00 0.00 C ATOM 278 OH TYR A 19 -2.794 5.052 0.218 1.00 0.00 O ATOM 0 H TYR A 19 -1.279 -1.686 -0.384 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.946 -0.884 0.457 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.216 -0.665 -2.014 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.952 -0.495 -2.190 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.940 0.952 -0.530 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.099 1.499 -1.484 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.799 3.311 0.242 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.968 3.872 -0.748 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.667 5.484 0.112 1.00 0.00 H new ATOM 288 N CYS A 20 -3.597 -3.814 -0.719 1.00 0.00 N ATOM 289 CA CYS A 20 -4.352 -5.057 -0.946 1.00 0.00 C ATOM 290 C CYS A 20 -5.379 -5.334 0.172 1.00 0.00 C ATOM 291 O CYS A 20 -5.163 -4.986 1.339 1.00 0.00 O ATOM 292 CB CYS A 20 -3.400 -6.246 -1.088 1.00 0.00 C ATOM 293 SG CYS A 20 -2.143 -6.093 -2.382 1.00 0.00 S ATOM 0 H CYS A 20 -2.603 -3.962 -0.547 1.00 0.00 H new ATOM 0 HA CYS A 20 -4.907 -4.924 -1.875 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -2.896 -6.401 -0.134 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -3.991 -7.140 -1.285 1.00 0.00 H new ATOM 298 N ASN A 21 -6.485 -5.993 -0.187 1.00 0.00 N ATOM 299 CA ASN A 21 -7.575 -6.393 0.716 1.00 0.00 C ATOM 300 C ASN A 21 -7.151 -7.520 1.681 1.00 0.00 C ATOM 301 O ASN A 21 -6.362 -8.404 1.275 1.00 0.00 O ATOM 302 CB ASN A 21 -8.799 -6.775 -0.151 1.00 0.00 C ATOM 303 CG ASN A 21 -10.152 -6.819 0.560 1.00 0.00 C ATOM 304 OD1 ASN A 21 -11.191 -6.571 -0.035 1.00 0.00 O ATOM 305 ND2 ASN A 21 -10.208 -7.123 1.835 1.00 0.00 N ATOM 306 OXT ASN A 21 -7.628 -7.514 2.837 1.00 0.00 O ATOM 0 H ASN A 21 -6.655 -6.275 -1.152 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.841 -5.559 1.365 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.869 -6.064 -0.974 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.613 -7.755 -0.591 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -11.108 -7.150 2.314 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.351 -7.333 2.347 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 13.897 -5.642 -2.327 1.00 0.00 N ATOM 315 CA PHE B 1 13.044 -4.424 -2.371 1.00 0.00 C ATOM 316 C PHE B 1 13.191 -3.695 -3.713 1.00 0.00 C ATOM 317 O PHE B 1 14.232 -3.817 -4.363 1.00 0.00 O ATOM 318 CB PHE B 1 13.346 -3.472 -1.194 1.00 0.00 C ATOM 319 CG PHE B 1 13.089 -4.077 0.179 1.00 0.00 C ATOM 320 CD1 PHE B 1 11.779 -4.135 0.693 1.00 0.00 C ATOM 321 CD2 PHE B 1 14.156 -4.601 0.938 1.00 0.00 C ATOM 322 CE1 PHE B 1 11.534 -4.724 1.946 1.00 0.00 C ATOM 323 CE2 PHE B 1 13.913 -5.182 2.196 1.00 0.00 C ATOM 324 CZ PHE B 1 12.601 -5.251 2.697 1.00 0.00 C ATOM 0 H1 PHE B 1 14.204 -5.816 -1.349 1.00 0.00 H new ATOM 0 H2 PHE B 1 13.353 -6.459 -2.670 1.00 0.00 H new ATOM 0 H3 PHE B 1 14.731 -5.503 -2.932 1.00 0.00 H new ATOM 0 HA PHE B 1 12.009 -4.751 -2.272 1.00 0.00 H new ATOM 0 HB2 PHE B 1 14.389 -3.160 -1.252 1.00 0.00 H new ATOM 0 HB3 PHE B 1 12.738 -2.574 -1.303 1.00 0.00 H new ATOM 0 HD1 PHE B 1 10.959 -3.725 0.122 1.00 0.00 H new ATOM 0 HD2 PHE B 1 15.164 -4.556 0.552 1.00 0.00 H new ATOM 0 HE1 PHE B 1 10.527 -4.772 2.332 1.00 0.00 H new ATOM 0 HE2 PHE B 1 14.734 -5.575 2.777 1.00 0.00 H new ATOM 0 HZ PHE B 1 12.412 -5.708 3.657 1.00 0.00 H new ATOM 336 N VAL B 2 12.185 -2.916 -4.132 1.00 0.00 N ATOM 337 CA VAL B 2 12.200 -2.091 -5.359 1.00 0.00 C ATOM 338 C VAL B 2 11.123 -0.998 -5.286 1.00 0.00 C ATOM 339 O VAL B 2 10.035 -1.228 -4.758 1.00 0.00 O ATOM 340 CB VAL B 2 12.081 -2.951 -6.650 1.00 0.00 C ATOM 341 CG1 VAL B 2 10.727 -3.668 -6.778 1.00 0.00 C ATOM 342 CG2 VAL B 2 12.349 -2.126 -7.919 1.00 0.00 C ATOM 0 H VAL B 2 11.310 -2.836 -3.615 1.00 0.00 H new ATOM 0 HA VAL B 2 13.171 -1.599 -5.418 1.00 0.00 H new ATOM 0 HB VAL B 2 12.853 -3.715 -6.553 1.00 0.00 H new ATOM 0 HG11 VAL B 2 10.709 -4.250 -7.699 1.00 0.00 H new ATOM 0 HG12 VAL B 2 10.585 -4.333 -5.926 1.00 0.00 H new ATOM 0 HG13 VAL B 2 9.925 -2.930 -6.800 1.00 0.00 H new ATOM 0 HG21 VAL B 2 12.255 -2.767 -8.796 1.00 0.00 H new ATOM 0 HG22 VAL B 2 11.626 -1.313 -7.984 1.00 0.00 H new ATOM 0 HG23 VAL B 2 13.357 -1.712 -7.878 1.00 0.00 H new ATOM 352 N ASN B 3 11.447 0.190 -5.799 1.00 0.00 N ATOM 353 CA ASN B 3 10.576 1.370 -5.837 1.00 0.00 C ATOM 354 C ASN B 3 10.624 2.069 -7.207 1.00 0.00 C ATOM 355 O ASN B 3 11.606 1.964 -7.946 1.00 0.00 O ATOM 356 CB ASN B 3 10.940 2.333 -4.694 1.00 0.00 C ATOM 357 CG ASN B 3 12.328 2.952 -4.862 1.00 0.00 C ATOM 358 OD1 ASN B 3 12.506 3.947 -5.551 1.00 0.00 O ATOM 359 ND2 ASN B 3 13.348 2.375 -4.253 1.00 0.00 N ATOM 0 H ASN B 3 12.361 0.365 -6.217 1.00 0.00 H new ATOM 0 HA ASN B 3 9.547 1.040 -5.692 1.00 0.00 H new ATOM 0 HB2 ASN B 3 10.196 3.128 -4.644 1.00 0.00 H new ATOM 0 HB3 ASN B 3 10.898 1.797 -3.746 1.00 0.00 H new ATOM 0 HD21 ASN B 3 14.287 2.759 -4.356 1.00 0.00 H new ATOM 0 HD22 ASN B 3 13.196 1.545 -3.679 1.00 0.00 H new ATOM 366 N GLN B 4 9.530 2.743 -7.561 1.00 0.00 N ATOM 367 CA GLN B 4 9.249 3.220 -8.917 1.00 0.00 C ATOM 368 C GLN B 4 8.397 4.497 -8.888 1.00 0.00 C ATOM 369 O GLN B 4 7.745 4.806 -7.889 1.00 0.00 O ATOM 370 CB GLN B 4 8.483 2.120 -9.687 1.00 0.00 C ATOM 371 CG GLN B 4 9.233 0.787 -9.865 1.00 0.00 C ATOM 372 CD GLN B 4 8.444 -0.201 -10.731 1.00 0.00 C ATOM 373 OE1 GLN B 4 7.842 -1.153 -10.249 1.00 0.00 O ATOM 374 NE2 GLN B 4 8.409 -0.016 -12.035 1.00 0.00 N ATOM 0 H GLN B 4 8.794 2.979 -6.895 1.00 0.00 H new ATOM 0 HA GLN B 4 10.195 3.446 -9.409 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.546 1.922 -9.166 1.00 0.00 H new ATOM 0 HB3 GLN B 4 8.224 2.505 -10.673 1.00 0.00 H new ATOM 0 HG2 GLN B 4 10.204 0.975 -10.322 1.00 0.00 H new ATOM 0 HG3 GLN B 4 9.421 0.343 -8.888 1.00 0.00 H new ATOM 0 HE21 GLN B 4 8.905 0.772 -12.452 1.00 0.00 H new ATOM 0 HE22 GLN B 4 7.886 -0.661 -12.628 1.00 0.00 H new ATOM 383 N HIS B 5 8.339 5.203 -10.020 1.00 0.00 N ATOM 384 CA HIS B 5 7.207 6.065 -10.358 1.00 0.00 C ATOM 385 C HIS B 5 6.139 5.212 -11.065 1.00 0.00 C ATOM 386 O HIS B 5 6.458 4.465 -11.996 1.00 0.00 O ATOM 387 CB HIS B 5 7.643 7.199 -11.295 1.00 0.00 C ATOM 388 CG HIS B 5 8.685 8.131 -10.741 1.00 0.00 C ATOM 389 ND1 HIS B 5 8.510 9.047 -9.734 1.00 0.00 N ATOM 390 CD2 HIS B 5 9.959 8.293 -11.211 1.00 0.00 C ATOM 391 CE1 HIS B 5 9.650 9.747 -9.599 1.00 0.00 C ATOM 392 NE2 HIS B 5 10.575 9.321 -10.482 1.00 0.00 N ATOM 0 H HIS B 5 9.075 5.192 -10.726 1.00 0.00 H new ATOM 0 HA HIS B 5 6.810 6.506 -9.444 1.00 0.00 H new ATOM 0 HB2 HIS B 5 8.026 6.759 -12.216 1.00 0.00 H new ATOM 0 HB3 HIS B 5 6.763 7.784 -11.563 1.00 0.00 H new ATOM 0 HD1 HIS B 5 7.661 9.175 -9.183 1.00 0.00 H new ATOM 0 HD2 HIS B 5 10.414 7.725 -12.009 1.00 0.00 H new ATOM 0 HE1 HIS B 5 9.803 10.540 -8.883 1.00 0.00 H new ATOM 400 N LEU B 6 4.874 5.331 -10.655 1.00 0.00 N ATOM 401 CA LEU B 6 3.732 4.593 -11.194 1.00 0.00 C ATOM 402 C LEU B 6 2.498 5.498 -11.155 1.00 0.00 C ATOM 403 O LEU B 6 2.320 6.271 -10.214 1.00 0.00 O ATOM 404 CB LEU B 6 3.480 3.314 -10.367 1.00 0.00 C ATOM 405 CG LEU B 6 4.560 2.216 -10.411 1.00 0.00 C ATOM 406 CD1 LEU B 6 4.258 1.148 -9.347 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.627 1.541 -11.789 1.00 0.00 C ATOM 0 H LEU B 6 4.608 5.971 -9.907 1.00 0.00 H new ATOM 0 HA LEU B 6 3.941 4.297 -12.222 1.00 0.00 H new ATOM 0 HB2 LEU B 6 3.341 3.608 -9.327 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.540 2.876 -10.703 1.00 0.00 H new ATOM 0 HG LEU B 6 5.521 2.690 -10.212 1.00 0.00 H new ATOM 0 HD11 LEU B 6 5.024 0.373 -9.381 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.253 1.609 -8.360 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.283 0.703 -9.545 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.400 0.773 -11.781 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.664 1.084 -12.018 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.864 2.286 -12.548 1.00 0.00 H new ATOM 419 N CYS B 7 1.635 5.405 -12.165 1.00 0.00 N ATOM 420 CA CYS B 7 0.496 6.315 -12.318 1.00 0.00 C ATOM 421 C CYS B 7 -0.709 5.643 -12.979 1.00 0.00 C ATOM 422 O CYS B 7 -0.564 4.731 -13.798 1.00 0.00 O ATOM 423 CB CYS B 7 0.952 7.541 -13.120 1.00 0.00 C ATOM 424 SG CYS B 7 0.070 9.083 -12.774 1.00 0.00 S ATOM 0 H CYS B 7 1.703 4.700 -12.899 1.00 0.00 H new ATOM 0 HA CYS B 7 0.162 6.619 -11.326 1.00 0.00 H new ATOM 0 HB2 CYS B 7 2.013 7.701 -12.930 1.00 0.00 H new ATOM 0 HB3 CYS B 7 0.849 7.316 -14.181 1.00 0.00 H new ATOM 429 N GLY B 8 -1.898 6.114 -12.605 1.00 0.00 N ATOM 430 CA GLY B 8 -3.201 5.741 -13.177 1.00 0.00 C ATOM 431 C GLY B 8 -3.383 4.240 -13.405 1.00 0.00 C ATOM 432 O GLY B 8 -3.194 3.417 -12.504 1.00 0.00 O ATOM 0 H GLY B 8 -1.988 6.801 -11.857 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -3.990 6.094 -12.513 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -3.329 6.259 -14.128 1.00 0.00 H new ATOM 436 N SER B 9 -3.731 3.877 -14.638 1.00 0.00 N ATOM 437 CA SER B 9 -3.991 2.493 -15.057 1.00 0.00 C ATOM 438 C SER B 9 -2.779 1.572 -14.870 1.00 0.00 C ATOM 439 O SER B 9 -2.944 0.392 -14.569 1.00 0.00 O ATOM 440 CB SER B 9 -4.422 2.474 -16.533 1.00 0.00 C ATOM 441 OG SER B 9 -5.524 3.347 -16.760 1.00 0.00 O ATOM 0 H SER B 9 -3.844 4.551 -15.395 1.00 0.00 H new ATOM 0 HA SER B 9 -4.787 2.112 -14.417 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.584 2.771 -17.163 1.00 0.00 H new ATOM 0 HB3 SER B 9 -4.694 1.459 -16.822 1.00 0.00 H new ATOM 0 HG SER B 9 -5.776 3.316 -17.707 1.00 0.00 H new ATOM 447 N HIS B 10 -1.550 2.087 -14.980 1.00 0.00 N ATOM 448 CA HIS B 10 -0.336 1.297 -14.746 1.00 0.00 C ATOM 449 C HIS B 10 -0.031 1.108 -13.250 1.00 0.00 C ATOM 450 O HIS B 10 0.506 0.065 -12.871 1.00 0.00 O ATOM 451 CB HIS B 10 0.834 1.930 -15.508 1.00 0.00 C ATOM 452 CG HIS B 10 0.719 1.740 -17.002 1.00 0.00 C ATOM 453 ND1 HIS B 10 0.620 0.539 -17.674 1.00 0.00 N ATOM 454 CD2 HIS B 10 0.671 2.731 -17.946 1.00 0.00 C ATOM 455 CE1 HIS B 10 0.515 0.806 -18.986 1.00 0.00 C ATOM 456 NE2 HIS B 10 0.541 2.132 -19.207 1.00 0.00 N ATOM 0 H HIS B 10 -1.369 3.058 -15.233 1.00 0.00 H new ATOM 0 HA HIS B 10 -0.499 0.290 -15.130 1.00 0.00 H new ATOM 0 HB2 HIS B 10 0.877 2.996 -15.282 1.00 0.00 H new ATOM 0 HB3 HIS B 10 1.770 1.493 -15.160 1.00 0.00 H new ATOM 0 HD1 HIS B 10 0.626 -0.388 -17.249 1.00 0.00 H new ATOM 0 HD2 HIS B 10 0.724 3.792 -17.752 1.00 0.00 H new ATOM 0 HE1 HIS B 10 0.422 0.057 -19.759 1.00 0.00 H new ATOM 464 N LEU B 11 -0.439 2.038 -12.370 1.00 0.00 N ATOM 465 CA LEU B 11 -0.453 1.778 -10.925 1.00 0.00 C ATOM 466 C LEU B 11 -1.516 0.736 -10.575 1.00 0.00 C ATOM 467 O LEU B 11 -1.209 -0.199 -9.845 1.00 0.00 O ATOM 468 CB LEU B 11 -0.623 3.085 -10.126 1.00 0.00 C ATOM 469 CG LEU B 11 -0.397 2.835 -8.613 1.00 0.00 C ATOM 470 CD1 LEU B 11 0.362 4.005 -7.980 1.00 0.00 C ATOM 471 CD2 LEU B 11 -1.702 2.609 -7.829 1.00 0.00 C ATOM 0 H LEU B 11 -0.761 2.969 -12.634 1.00 0.00 H new ATOM 0 HA LEU B 11 0.512 1.361 -10.638 1.00 0.00 H new ATOM 0 HB2 LEU B 11 0.085 3.832 -10.486 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.622 3.489 -10.288 1.00 0.00 H new ATOM 0 HG LEU B 11 0.190 1.918 -8.550 1.00 0.00 H new ATOM 0 HD11 LEU B 11 0.511 3.810 -6.918 1.00 0.00 H new ATOM 0 HD12 LEU B 11 1.331 4.117 -8.467 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -0.214 4.922 -8.104 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.470 2.440 -6.777 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -2.340 3.488 -7.923 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -2.221 1.739 -8.230 1.00 0.00 H new ATOM 483 N VAL B 12 -2.727 0.855 -11.124 1.00 0.00 N ATOM 484 CA VAL B 12 -3.806 -0.142 -10.952 1.00 0.00 C ATOM 485 C VAL B 12 -3.372 -1.540 -11.428 1.00 0.00 C ATOM 486 O VAL B 12 -3.639 -2.522 -10.743 1.00 0.00 O ATOM 487 CB VAL B 12 -5.115 0.293 -11.657 1.00 0.00 C ATOM 488 CG1 VAL B 12 -6.195 -0.805 -11.665 1.00 0.00 C ATOM 489 CG2 VAL B 12 -5.717 1.532 -10.979 1.00 0.00 C ATOM 0 H VAL B 12 -2.996 1.648 -11.706 1.00 0.00 H new ATOM 0 HA VAL B 12 -4.008 -0.199 -9.882 1.00 0.00 H new ATOM 0 HB VAL B 12 -4.828 0.509 -12.686 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -7.086 -0.436 -12.174 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -5.817 -1.684 -12.188 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -6.448 -1.074 -10.639 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -6.635 1.818 -11.492 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -5.940 1.304 -9.937 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -5.004 2.355 -11.026 1.00 0.00 H new ATOM 499 N GLU B 13 -2.664 -1.621 -12.556 1.00 0.00 N ATOM 500 CA GLU B 13 -2.068 -2.847 -13.094 1.00 0.00 C ATOM 501 C GLU B 13 -1.031 -3.437 -12.122 1.00 0.00 C ATOM 502 O GLU B 13 -1.123 -4.608 -11.761 1.00 0.00 O ATOM 503 CB GLU B 13 -1.427 -2.499 -14.449 1.00 0.00 C ATOM 504 CG GLU B 13 -0.701 -3.650 -15.151 1.00 0.00 C ATOM 505 CD GLU B 13 -0.211 -3.213 -16.546 1.00 0.00 C ATOM 506 OE1 GLU B 13 0.374 -2.109 -16.679 1.00 0.00 O ATOM 507 OE2 GLU B 13 -0.419 -3.975 -17.519 1.00 0.00 O ATOM 0 H GLU B 13 -2.483 -0.806 -13.142 1.00 0.00 H new ATOM 0 HA GLU B 13 -2.835 -3.610 -13.227 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -2.205 -2.125 -15.114 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -0.719 -1.685 -14.297 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.147 -3.974 -14.547 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -1.370 -4.505 -15.246 1.00 0.00 H new ATOM 514 N ALA B 14 -0.077 -2.624 -11.653 1.00 0.00 N ATOM 515 CA ALA B 14 0.957 -3.058 -10.707 1.00 0.00 C ATOM 516 C ALA B 14 0.343 -3.536 -9.378 1.00 0.00 C ATOM 517 O ALA B 14 0.685 -4.611 -8.880 1.00 0.00 O ATOM 518 CB ALA B 14 1.945 -1.903 -10.495 1.00 0.00 C ATOM 0 H ALA B 14 -0.001 -1.643 -11.920 1.00 0.00 H new ATOM 0 HA ALA B 14 1.490 -3.914 -11.120 1.00 0.00 H new ATOM 0 HB1 ALA B 14 2.720 -2.211 -9.793 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.403 -1.637 -11.448 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.415 -1.040 -10.093 1.00 0.00 H new ATOM 524 N LEU B 15 -0.599 -2.767 -8.825 1.00 0.00 N ATOM 525 CA LEU B 15 -1.345 -3.061 -7.606 1.00 0.00 C ATOM 526 C LEU B 15 -2.086 -4.397 -7.721 1.00 0.00 C ATOM 527 O LEU B 15 -1.848 -5.289 -6.915 1.00 0.00 O ATOM 528 CB LEU B 15 -2.270 -1.858 -7.352 1.00 0.00 C ATOM 529 CG LEU B 15 -3.192 -1.947 -6.128 1.00 0.00 C ATOM 530 CD1 LEU B 15 -2.436 -2.176 -4.814 1.00 0.00 C ATOM 531 CD2 LEU B 15 -3.983 -0.637 -6.042 1.00 0.00 C ATOM 0 H LEU B 15 -0.874 -1.877 -9.240 1.00 0.00 H new ATOM 0 HA LEU B 15 -0.685 -3.189 -6.748 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -1.650 -0.968 -7.248 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -2.891 -1.713 -8.236 1.00 0.00 H new ATOM 0 HG LEU B 15 -3.845 -2.810 -6.259 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -3.147 -2.229 -3.990 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.879 -3.111 -4.873 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.744 -1.351 -4.644 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -4.649 -0.670 -5.180 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -3.292 0.199 -5.935 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -4.572 -0.507 -6.950 1.00 0.00 H new ATOM 543 N TYR B 16 -2.894 -4.589 -8.766 1.00 0.00 N ATOM 544 CA TYR B 16 -3.561 -5.864 -9.055 1.00 0.00 C ATOM 545 C TYR B 16 -2.571 -7.046 -9.129 1.00 0.00 C ATOM 546 O TYR B 16 -2.832 -8.098 -8.549 1.00 0.00 O ATOM 547 CB TYR B 16 -4.329 -5.735 -10.380 1.00 0.00 C ATOM 548 CG TYR B 16 -4.897 -7.045 -10.894 1.00 0.00 C ATOM 549 CD1 TYR B 16 -5.916 -7.710 -10.182 1.00 0.00 C ATOM 550 CD2 TYR B 16 -4.369 -7.633 -12.064 1.00 0.00 C ATOM 551 CE1 TYR B 16 -6.405 -8.951 -10.627 1.00 0.00 C ATOM 552 CE2 TYR B 16 -4.861 -8.870 -12.519 1.00 0.00 C ATOM 553 CZ TYR B 16 -5.880 -9.535 -11.801 1.00 0.00 C ATOM 554 OH TYR B 16 -6.356 -10.736 -12.236 1.00 0.00 O ATOM 0 H TYR B 16 -3.107 -3.857 -9.444 1.00 0.00 H new ATOM 0 HA TYR B 16 -4.246 -6.079 -8.235 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -5.145 -5.024 -10.248 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -3.663 -5.318 -11.135 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -6.324 -7.263 -9.288 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -3.585 -7.131 -12.612 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -7.181 -9.457 -10.072 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -4.459 -9.312 -13.419 1.00 0.00 H new ATOM 0 HH TYR B 16 -5.888 -10.995 -13.057 1.00 0.00 H new ATOM 564 N LEU B 17 -1.422 -6.866 -9.791 1.00 0.00 N ATOM 565 CA LEU B 17 -0.385 -7.901 -9.937 1.00 0.00 C ATOM 566 C LEU B 17 0.351 -8.206 -8.622 1.00 0.00 C ATOM 567 O LEU B 17 0.665 -9.368 -8.368 1.00 0.00 O ATOM 568 CB LEU B 17 0.594 -7.497 -11.054 1.00 0.00 C ATOM 569 CG LEU B 17 -0.007 -7.572 -12.474 1.00 0.00 C ATOM 570 CD1 LEU B 17 0.957 -6.908 -13.467 1.00 0.00 C ATOM 571 CD2 LEU B 17 -0.281 -9.021 -12.914 1.00 0.00 C ATOM 0 H LEU B 17 -1.181 -5.986 -10.247 1.00 0.00 H new ATOM 0 HA LEU B 17 -0.882 -8.830 -10.214 1.00 0.00 H new ATOM 0 HB2 LEU B 17 0.939 -6.480 -10.870 1.00 0.00 H new ATOM 0 HB3 LEU B 17 1.470 -8.144 -11.007 1.00 0.00 H new ATOM 0 HG LEU B 17 -0.963 -7.048 -12.459 1.00 0.00 H new ATOM 0 HD11 LEU B 17 0.537 -6.959 -14.471 1.00 0.00 H new ATOM 0 HD12 LEU B 17 1.105 -5.865 -13.188 1.00 0.00 H new ATOM 0 HD13 LEU B 17 1.915 -7.428 -13.448 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -0.703 -9.022 -13.919 1.00 0.00 H new ATOM 0 HD22 LEU B 17 0.652 -9.585 -12.912 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -0.986 -9.484 -12.224 1.00 0.00 H new ATOM 583 N VAL B 18 0.569 -7.203 -7.771 1.00 0.00 N ATOM 584 CA VAL B 18 1.087 -7.372 -6.398 1.00 0.00 C ATOM 585 C VAL B 18 0.085 -8.145 -5.533 1.00 0.00 C ATOM 586 O VAL B 18 0.481 -9.059 -4.809 1.00 0.00 O ATOM 587 CB VAL B 18 1.430 -6.007 -5.748 1.00 0.00 C ATOM 588 CG1 VAL B 18 1.635 -6.074 -4.226 1.00 0.00 C ATOM 589 CG2 VAL B 18 2.722 -5.433 -6.359 1.00 0.00 C ATOM 0 H VAL B 18 0.389 -6.229 -8.014 1.00 0.00 H new ATOM 0 HA VAL B 18 2.009 -7.950 -6.462 1.00 0.00 H new ATOM 0 HB VAL B 18 0.566 -5.373 -5.948 1.00 0.00 H new ATOM 0 HG11 VAL B 18 1.871 -5.080 -3.847 1.00 0.00 H new ATOM 0 HG12 VAL B 18 0.723 -6.436 -3.752 1.00 0.00 H new ATOM 0 HG13 VAL B 18 2.456 -6.754 -3.999 1.00 0.00 H new ATOM 0 HG21 VAL B 18 2.950 -4.474 -5.893 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.545 -6.126 -6.186 1.00 0.00 H new ATOM 0 HG23 VAL B 18 2.586 -5.292 -7.431 1.00 0.00 H new ATOM 599 N CYS B 19 -1.204 -7.803 -5.613 1.00 0.00 N ATOM 600 CA CYS B 19 -2.249 -8.429 -4.791 1.00 0.00 C ATOM 601 C CYS B 19 -2.635 -9.845 -5.260 1.00 0.00 C ATOM 602 O CYS B 19 -3.026 -10.678 -4.439 1.00 0.00 O ATOM 603 CB CYS B 19 -3.478 -7.510 -4.743 1.00 0.00 C ATOM 604 SG CYS B 19 -3.177 -5.837 -4.112 1.00 0.00 S ATOM 0 H CYS B 19 -1.554 -7.086 -6.248 1.00 0.00 H new ATOM 0 HA CYS B 19 -1.840 -8.556 -3.789 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -3.891 -7.431 -5.749 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -4.239 -7.982 -4.122 1.00 0.00 H new ATOM 609 N GLY B 20 -2.501 -10.143 -6.558 1.00 0.00 N ATOM 610 CA GLY B 20 -2.742 -11.467 -7.138 1.00 0.00 C ATOM 611 C GLY B 20 -4.223 -11.842 -7.100 1.00 0.00 C ATOM 612 O GLY B 20 -5.049 -11.182 -7.729 1.00 0.00 O ATOM 0 H GLY B 20 -2.215 -9.451 -7.251 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -2.390 -11.482 -8.169 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -2.164 -12.213 -6.593 1.00 0.00 H new ATOM 616 N GLU B 21 -4.554 -12.899 -6.358 1.00 0.00 N ATOM 617 CA GLU B 21 -5.933 -13.330 -6.106 1.00 0.00 C ATOM 618 C GLU B 21 -6.695 -12.412 -5.125 1.00 0.00 C ATOM 619 O GLU B 21 -7.931 -12.410 -5.126 1.00 0.00 O ATOM 620 CB GLU B 21 -5.967 -14.794 -5.619 1.00 0.00 C ATOM 621 CG GLU B 21 -5.165 -15.117 -4.345 1.00 0.00 C ATOM 622 CD GLU B 21 -3.710 -15.502 -4.648 1.00 0.00 C ATOM 623 OE1 GLU B 21 -2.882 -14.590 -4.886 1.00 0.00 O ATOM 624 OE2 GLU B 21 -3.385 -16.713 -4.651 1.00 0.00 O ATOM 0 H GLU B 21 -3.859 -13.493 -5.906 1.00 0.00 H new ATOM 0 HA GLU B 21 -6.454 -13.256 -7.061 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -7.007 -15.071 -5.446 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -5.598 -15.429 -6.424 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -5.178 -14.252 -3.682 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -5.650 -15.934 -3.812 1.00 0.00 H new ATOM 631 N ARG B 22 -5.985 -11.620 -4.307 1.00 0.00 N ATOM 632 CA ARG B 22 -6.575 -10.609 -3.417 1.00 0.00 C ATOM 633 C ARG B 22 -7.041 -9.390 -4.228 1.00 0.00 C ATOM 634 O ARG B 22 -6.399 -8.999 -5.207 1.00 0.00 O ATOM 635 CB ARG B 22 -5.566 -10.153 -2.348 1.00 0.00 C ATOM 636 CG ARG B 22 -5.056 -11.282 -1.434 1.00 0.00 C ATOM 637 CD ARG B 22 -3.808 -10.864 -0.644 1.00 0.00 C ATOM 638 NE ARG B 22 -4.080 -9.768 0.297 1.00 0.00 N ATOM 639 CZ ARG B 22 -3.186 -9.083 0.997 1.00 0.00 C ATOM 640 NH1 ARG B 22 -1.891 -9.281 0.888 1.00 0.00 N ATOM 641 NH2 ARG B 22 -3.627 -8.168 1.824 1.00 0.00 N ATOM 0 H ARG B 22 -4.968 -11.665 -4.245 1.00 0.00 H new ATOM 0 HA ARG B 22 -7.430 -11.066 -2.919 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -4.713 -9.690 -2.844 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -6.031 -9.384 -1.731 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -5.845 -11.570 -0.739 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -4.826 -12.160 -2.037 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -3.425 -11.724 -0.095 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -3.027 -10.556 -1.340 1.00 0.00 H new ATOM 0 HE ARG B 22 -5.058 -9.507 0.425 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -1.536 -9.987 0.243 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -1.242 -8.729 1.448 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -4.629 -8.002 1.913 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -2.968 -7.622 2.379 1.00 0.00 H new ATOM 655 N GLY B 23 -8.121 -8.744 -3.776 1.00 0.00 N ATOM 656 CA GLY B 23 -8.542 -7.423 -4.268 1.00 0.00 C ATOM 657 C GLY B 23 -7.682 -6.297 -3.690 1.00 0.00 C ATOM 658 O GLY B 23 -6.702 -6.551 -2.984 1.00 0.00 O ATOM 0 H GLY B 23 -8.733 -9.123 -3.054 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -8.480 -7.405 -5.356 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -9.586 -7.254 -4.005 1.00 0.00 H new ATOM 662 N PHE B 24 -8.054 -5.045 -3.968 1.00 0.00 N ATOM 663 CA PHE B 24 -7.360 -3.849 -3.474 1.00 0.00 C ATOM 664 C PHE B 24 -8.288 -2.642 -3.259 1.00 0.00 C ATOM 665 O PHE B 24 -9.316 -2.491 -3.926 1.00 0.00 O ATOM 666 CB PHE B 24 -6.212 -3.501 -4.435 1.00 0.00 C ATOM 667 CG PHE B 24 -6.624 -3.305 -5.885 1.00 0.00 C ATOM 668 CD1 PHE B 24 -7.085 -2.052 -6.332 1.00 0.00 C ATOM 669 CD2 PHE B 24 -6.570 -4.387 -6.786 1.00 0.00 C ATOM 670 CE1 PHE B 24 -7.492 -1.879 -7.666 1.00 0.00 C ATOM 671 CE2 PHE B 24 -6.996 -4.218 -8.115 1.00 0.00 C ATOM 672 CZ PHE B 24 -7.451 -2.963 -8.557 1.00 0.00 C ATOM 0 H PHE B 24 -8.861 -4.828 -4.553 1.00 0.00 H new ATOM 0 HA PHE B 24 -6.964 -4.086 -2.486 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -5.729 -2.589 -4.084 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -5.467 -4.295 -4.389 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -7.126 -1.219 -5.646 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -6.201 -5.347 -6.455 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -7.836 -0.913 -8.005 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -6.974 -5.054 -8.798 1.00 0.00 H new ATOM 0 HZ PHE B 24 -7.769 -2.833 -9.581 1.00 0.00 H new ATOM 682 N PHE B 25 -7.875 -1.761 -2.345 1.00 0.00 N ATOM 683 CA PHE B 25 -8.319 -0.371 -2.247 1.00 0.00 C ATOM 684 C PHE B 25 -7.418 0.523 -3.119 1.00 0.00 C ATOM 685 O PHE B 25 -6.280 0.167 -3.417 1.00 0.00 O ATOM 686 CB PHE B 25 -8.288 0.053 -0.768 1.00 0.00 C ATOM 687 CG PHE B 25 -8.704 1.494 -0.519 1.00 0.00 C ATOM 688 CD1 PHE B 25 -10.018 1.912 -0.807 1.00 0.00 C ATOM 689 CD2 PHE B 25 -7.769 2.425 -0.026 1.00 0.00 C ATOM 690 CE1 PHE B 25 -10.387 3.257 -0.614 1.00 0.00 C ATOM 691 CE2 PHE B 25 -8.138 3.767 0.161 1.00 0.00 C ATOM 692 CZ PHE B 25 -9.449 4.183 -0.132 1.00 0.00 C ATOM 0 H PHE B 25 -7.195 -2.007 -1.625 1.00 0.00 H new ATOM 0 HA PHE B 25 -9.339 -0.265 -2.615 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -8.945 -0.605 -0.200 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.279 -0.093 -0.382 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -10.742 1.201 -1.176 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -6.764 2.106 0.209 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -11.394 3.577 -0.837 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -7.415 4.480 0.530 1.00 0.00 H new ATOM 0 HZ PHE B 25 -9.734 5.215 0.014 1.00 0.00 H new ATOM 702 N TYR B 26 -7.916 1.690 -3.534 1.00 0.00 N ATOM 703 CA TYR B 26 -7.256 2.564 -4.517 1.00 0.00 C ATOM 704 C TYR B 26 -7.710 4.031 -4.412 1.00 0.00 C ATOM 705 O TYR B 26 -8.884 4.308 -4.150 1.00 0.00 O ATOM 706 CB TYR B 26 -7.530 1.998 -5.920 1.00 0.00 C ATOM 707 CG TYR B 26 -7.141 2.900 -7.080 1.00 0.00 C ATOM 708 CD1 TYR B 26 -5.799 2.991 -7.491 1.00 0.00 C ATOM 709 CD2 TYR B 26 -8.134 3.640 -7.751 1.00 0.00 C ATOM 710 CE1 TYR B 26 -5.453 3.805 -8.587 1.00 0.00 C ATOM 711 CE2 TYR B 26 -7.795 4.454 -8.849 1.00 0.00 C ATOM 712 CZ TYR B 26 -6.450 4.529 -9.279 1.00 0.00 C ATOM 713 OH TYR B 26 -6.118 5.278 -10.370 1.00 0.00 O ATOM 0 H TYR B 26 -8.802 2.063 -3.194 1.00 0.00 H new ATOM 0 HA TYR B 26 -6.185 2.574 -4.312 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -6.995 1.054 -6.022 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -8.593 1.772 -6.000 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -5.034 2.437 -6.967 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -9.161 3.583 -7.422 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -4.422 3.876 -8.900 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -8.560 5.019 -9.361 1.00 0.00 H new ATOM 0 HH TYR B 26 -6.922 5.710 -10.727 1.00 0.00 H new ATOM 723 N THR B 27 -6.779 4.964 -4.661 1.00 0.00 N ATOM 724 CA THR B 27 -7.009 6.418 -4.702 1.00 0.00 C ATOM 725 C THR B 27 -6.255 7.048 -5.891 1.00 0.00 C ATOM 726 O THR B 27 -5.023 6.933 -5.943 1.00 0.00 O ATOM 727 CB THR B 27 -6.623 7.099 -3.380 1.00 0.00 C ATOM 728 OG1 THR B 27 -5.455 6.521 -2.835 1.00 0.00 O ATOM 729 CG2 THR B 27 -7.723 6.975 -2.327 1.00 0.00 C ATOM 0 H THR B 27 -5.807 4.718 -4.847 1.00 0.00 H new ATOM 0 HA THR B 27 -8.078 6.580 -4.842 1.00 0.00 H new ATOM 0 HB THR B 27 -6.461 8.149 -3.621 1.00 0.00 H new ATOM 0 HG1 THR B 27 -5.551 6.445 -1.863 1.00 0.00 H new ATOM 0 HG21 THR B 27 -7.406 7.471 -1.410 1.00 0.00 H new ATOM 0 HG22 THR B 27 -8.635 7.444 -2.696 1.00 0.00 H new ATOM 0 HG23 THR B 27 -7.914 5.921 -2.123 1.00 0.00 H new ATOM 737 N PRO B 28 -6.970 7.696 -6.839 1.00 0.00 N ATOM 738 CA PRO B 28 -6.408 8.245 -8.073 1.00 0.00 C ATOM 739 C PRO B 28 -5.702 9.591 -7.843 1.00 0.00 C ATOM 740 O PRO B 28 -5.630 10.098 -6.722 1.00 0.00 O ATOM 741 CB PRO B 28 -7.612 8.389 -9.020 1.00 0.00 C ATOM 742 CG PRO B 28 -8.748 8.741 -8.065 1.00 0.00 C ATOM 743 CD PRO B 28 -8.422 7.876 -6.850 1.00 0.00 C ATOM 0 HA PRO B 28 -5.635 7.596 -8.486 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -7.451 9.170 -9.764 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -7.812 7.466 -9.565 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -8.759 9.803 -7.819 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -9.724 8.501 -8.486 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -8.759 8.356 -5.931 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -8.931 6.914 -6.912 1.00 0.00 H new ATOM 751 N LYS B 29 -5.192 10.188 -8.928 1.00 0.00 N ATOM 752 CA LYS B 29 -4.516 11.493 -8.911 1.00 0.00 C ATOM 753 C LYS B 29 -5.470 12.682 -8.634 1.00 0.00 C ATOM 754 O LYS B 29 -5.014 13.789 -8.339 1.00 0.00 O ATOM 755 CB LYS B 29 -3.788 11.665 -10.263 1.00 0.00 C ATOM 756 CG LYS B 29 -2.506 12.504 -10.128 1.00 0.00 C ATOM 757 CD LYS B 29 -1.821 12.657 -11.491 1.00 0.00 C ATOM 758 CE LYS B 29 -0.535 13.483 -11.355 1.00 0.00 C ATOM 759 NZ LYS B 29 0.107 13.719 -12.678 1.00 0.00 N ATOM 0 H LYS B 29 -5.238 9.771 -9.858 1.00 0.00 H new ATOM 0 HA LYS B 29 -3.808 11.504 -8.082 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -3.538 10.684 -10.667 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -4.459 12.142 -10.977 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -2.748 13.487 -9.723 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -1.825 12.028 -9.423 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -1.588 11.674 -11.900 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -2.499 13.142 -12.193 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -0.764 14.440 -10.885 1.00 0.00 H new ATOM 0 HE3 LYS B 29 0.163 12.965 -10.698 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 0.973 14.280 -12.548 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 0.348 12.806 -13.115 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -0.551 14.236 -13.296 1.00 0.00 H new ATOM 773 N THR B 30 -6.785 12.461 -8.768 1.00 0.00 N ATOM 774 CA THR B 30 -7.876 13.454 -8.672 1.00 0.00 C ATOM 775 C THR B 30 -7.928 14.164 -7.316 1.00 0.00 C ATOM 776 O THR B 30 -7.895 15.415 -7.302 1.00 0.00 O ATOM 777 CB THR B 30 -9.227 12.786 -8.957 1.00 0.00 C ATOM 778 OG1 THR B 30 -9.117 11.993 -10.122 1.00 0.00 O ATOM 779 CG2 THR B 30 -10.341 13.810 -9.192 1.00 0.00 C ATOM 780 OXT THR B 30 -8.017 13.478 -6.272 1.00 0.00 O ATOM 0 H THR B 30 -7.143 11.525 -8.959 1.00 0.00 H new ATOM 0 HA THR B 30 -7.667 14.216 -9.423 1.00 0.00 H new ATOM 0 HB THR B 30 -9.482 12.186 -8.083 1.00 0.00 H new ATOM 0 HG1 THR B 30 -9.978 11.563 -10.307 1.00 0.00 H new ATOM 0 HG21 THR B 30 -11.278 13.289 -9.390 1.00 0.00 H new ATOM 0 HG22 THR B 30 -10.453 14.435 -8.306 1.00 0.00 H new ATOM 0 HG23 THR B 30 -10.086 14.435 -10.048 1.00 0.00 H new TER 788 THR B 30