USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=13 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+ 149:sc= 1.03 (180deg=0.537) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 8 THR OG1 : rot -74:sc= 0.162 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0573 X(o=-0.057,f=-0.057) 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 X(o=0,f=0) USER MOD Single : B 1 PHE N :NH3+ -110:sc= 0.0859 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.254 X(o=-0.25,f=-0.54) USER MOD Single : B 4 GLN : amide:sc=-0.00591 K(o=-0.0059,f=-1.1) USER MOD Single : B 5 HIS : no HE2:sc= 0.653 K(o=0.65,f=-2.2!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc=-0.00743 X(o=-0.0074,f=-0.0074) 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 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.00938 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.831 11.441 -2.924 1.00 0.00 N ATOM 2 CA GLY A 1 -3.792 10.010 -2.561 1.00 0.00 C ATOM 3 C GLY A 1 -2.746 9.252 -3.370 1.00 0.00 C ATOM 4 O GLY A 1 -2.055 9.835 -4.204 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.798 11.804 -2.801 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.181 11.973 -2.310 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.542 11.555 -3.916 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.573 9.910 -1.498 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.773 9.565 -2.727 1.00 0.00 H new ATOM 10 N ILE A 2 -2.630 7.937 -3.147 1.00 0.00 N ATOM 11 CA ILE A 2 -1.583 7.060 -3.725 1.00 0.00 C ATOM 12 C ILE A 2 -1.501 7.112 -5.256 1.00 0.00 C ATOM 13 O ILE A 2 -0.391 7.114 -5.784 1.00 0.00 O ATOM 14 CB ILE A 2 -1.694 5.619 -3.148 1.00 0.00 C ATOM 15 CG1 ILE A 2 -0.621 4.640 -3.680 1.00 0.00 C ATOM 16 CG2 ILE A 2 -3.111 5.024 -3.272 1.00 0.00 C ATOM 17 CD1 ILE A 2 -1.001 3.829 -4.929 1.00 0.00 C ATOM 0 H ILE A 2 -3.277 7.431 -2.543 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.620 7.460 -3.409 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.488 5.743 -2.085 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.282 5.209 -3.903 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.369 3.942 -2.882 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -3.121 4.018 -2.852 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.818 5.652 -2.729 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.397 4.981 -4.323 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.171 3.179 -5.207 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.881 3.222 -4.715 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.221 4.509 -5.752 1.00 0.00 H new ATOM 29 N VAL A 3 -2.628 7.248 -5.969 1.00 0.00 N ATOM 30 CA VAL A 3 -2.617 7.350 -7.452 1.00 0.00 C ATOM 31 C VAL A 3 -1.863 8.589 -7.963 1.00 0.00 C ATOM 32 O VAL A 3 -1.185 8.506 -8.988 1.00 0.00 O ATOM 33 CB VAL A 3 -4.044 7.291 -8.046 1.00 0.00 C ATOM 34 CG1 VAL A 3 -4.114 7.581 -9.558 1.00 0.00 C ATOM 35 CG2 VAL A 3 -4.659 5.904 -7.804 1.00 0.00 C ATOM 0 H VAL A 3 -3.559 7.291 -5.554 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.068 6.477 -7.804 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.599 8.078 -7.535 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.149 7.519 -9.893 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.728 8.581 -9.755 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.514 6.848 -10.097 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.664 5.873 -8.226 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.041 5.144 -8.282 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.709 5.710 -6.733 1.00 0.00 H new ATOM 45 N GLU A 4 -1.925 9.712 -7.235 1.00 0.00 N ATOM 46 CA GLU A 4 -1.068 10.867 -7.517 1.00 0.00 C ATOM 47 C GLU A 4 0.353 10.611 -6.994 1.00 0.00 C ATOM 48 O GLU A 4 1.312 10.759 -7.747 1.00 0.00 O ATOM 49 CB GLU A 4 -1.674 12.144 -6.918 1.00 0.00 C ATOM 50 CG GLU A 4 -0.857 13.396 -7.268 1.00 0.00 C ATOM 51 CD GLU A 4 -1.547 14.672 -6.771 1.00 0.00 C ATOM 52 OE1 GLU A 4 -1.546 14.918 -5.543 1.00 0.00 O ATOM 53 OE2 GLU A 4 -2.084 15.440 -7.603 1.00 0.00 O ATOM 0 H GLU A 4 -2.560 9.843 -6.447 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.005 11.011 -8.596 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.694 12.265 -7.282 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.732 12.042 -5.834 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.135 13.321 -6.823 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.719 13.452 -8.348 1.00 0.00 H new ATOM 60 N GLN A 5 0.496 10.201 -5.728 1.00 0.00 N ATOM 61 CA GLN A 5 1.786 10.132 -5.038 1.00 0.00 C ATOM 62 C GLN A 5 2.782 9.168 -5.698 1.00 0.00 C ATOM 63 O GLN A 5 3.955 9.511 -5.824 1.00 0.00 O ATOM 64 CB GLN A 5 1.539 9.760 -3.566 1.00 0.00 C ATOM 65 CG GLN A 5 2.800 9.922 -2.696 1.00 0.00 C ATOM 66 CD GLN A 5 2.564 9.619 -1.214 1.00 0.00 C ATOM 67 OE1 GLN A 5 1.537 9.094 -0.795 1.00 0.00 O ATOM 68 NE2 GLN A 5 3.507 9.935 -0.350 1.00 0.00 N ATOM 0 H GLN A 5 -0.290 9.905 -5.149 1.00 0.00 H new ATOM 0 HA GLN A 5 2.255 11.114 -5.105 1.00 0.00 H new ATOM 0 HB2 GLN A 5 0.742 10.387 -3.165 1.00 0.00 H new ATOM 0 HB3 GLN A 5 1.192 8.728 -3.509 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.580 9.261 -3.074 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.171 10.942 -2.795 1.00 0.00 H new ATOM 0 HE21 GLN A 5 4.370 10.372 -0.674 1.00 0.00 H new ATOM 0 HE22 GLN A 5 3.374 9.742 0.643 1.00 0.00 H new ATOM 77 N CYS A 6 2.338 7.996 -6.168 1.00 0.00 N ATOM 78 CA CYS A 6 3.194 7.064 -6.921 1.00 0.00 C ATOM 79 C CYS A 6 3.667 7.618 -8.273 1.00 0.00 C ATOM 80 O CYS A 6 4.677 7.159 -8.810 1.00 0.00 O ATOM 81 CB CYS A 6 2.425 5.762 -7.170 1.00 0.00 C ATOM 82 SG CYS A 6 2.472 4.539 -5.838 1.00 0.00 S ATOM 0 H CYS A 6 1.381 7.666 -6.039 1.00 0.00 H new ATOM 0 HA CYS A 6 4.083 6.899 -6.312 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.383 6.012 -7.369 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.819 5.299 -8.074 1.00 0.00 H new ATOM 87 N CYS A 7 2.935 8.584 -8.832 1.00 0.00 N ATOM 88 CA CYS A 7 3.221 9.179 -10.137 1.00 0.00 C ATOM 89 C CYS A 7 4.073 10.461 -10.036 1.00 0.00 C ATOM 90 O CYS A 7 4.979 10.649 -10.855 1.00 0.00 O ATOM 91 CB CYS A 7 1.881 9.421 -10.843 1.00 0.00 C ATOM 92 SG CYS A 7 2.009 9.881 -12.590 1.00 0.00 S ATOM 0 H CYS A 7 2.111 8.981 -8.381 1.00 0.00 H new ATOM 0 HA CYS A 7 3.831 8.492 -10.724 1.00 0.00 H new ATOM 0 HB2 CYS A 7 1.277 8.517 -10.764 1.00 0.00 H new ATOM 0 HB3 CYS A 7 1.346 10.209 -10.314 1.00 0.00 H new ATOM 97 N THR A 8 3.814 11.323 -9.040 1.00 0.00 N ATOM 98 CA THR A 8 4.550 12.579 -8.799 1.00 0.00 C ATOM 99 C THR A 8 5.808 12.369 -7.964 1.00 0.00 C ATOM 100 O THR A 8 6.847 12.954 -8.263 1.00 0.00 O ATOM 101 CB THR A 8 3.657 13.630 -8.131 1.00 0.00 C ATOM 102 OG1 THR A 8 3.148 13.132 -6.908 1.00 0.00 O ATOM 103 CG2 THR A 8 2.484 14.019 -9.031 1.00 0.00 C ATOM 0 H THR A 8 3.069 11.164 -8.362 1.00 0.00 H new ATOM 0 HA THR A 8 4.857 12.942 -9.780 1.00 0.00 H new ATOM 0 HB THR A 8 4.270 14.513 -7.950 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.446 12.473 -7.090 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.871 14.766 -8.527 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.864 14.432 -9.966 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.880 13.137 -9.243 1.00 0.00 H new ATOM 111 N SER A 9 5.733 11.525 -6.940 1.00 0.00 N ATOM 112 CA SER A 9 6.869 11.042 -6.146 1.00 0.00 C ATOM 113 C SER A 9 7.197 9.579 -6.521 1.00 0.00 C ATOM 114 O SER A 9 6.694 9.051 -7.516 1.00 0.00 O ATOM 115 CB SER A 9 6.553 11.188 -4.642 1.00 0.00 C ATOM 116 OG SER A 9 6.260 12.535 -4.292 1.00 0.00 O ATOM 0 H SER A 9 4.843 11.140 -6.623 1.00 0.00 H new ATOM 0 HA SER A 9 7.751 11.644 -6.365 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.705 10.553 -4.386 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.403 10.837 -4.056 1.00 0.00 H new ATOM 0 HG SER A 9 6.063 12.589 -3.333 1.00 0.00 H new ATOM 122 N ILE A 10 8.072 8.914 -5.760 1.00 0.00 N ATOM 123 CA ILE A 10 8.430 7.493 -5.928 1.00 0.00 C ATOM 124 C ILE A 10 7.730 6.642 -4.852 1.00 0.00 C ATOM 125 O ILE A 10 7.524 7.121 -3.732 1.00 0.00 O ATOM 126 CB ILE A 10 9.977 7.380 -5.936 1.00 0.00 C ATOM 127 CG1 ILE A 10 10.427 6.097 -6.660 1.00 0.00 C ATOM 128 CG2 ILE A 10 10.597 7.501 -4.531 1.00 0.00 C ATOM 129 CD1 ILE A 10 11.926 6.050 -6.974 1.00 0.00 C ATOM 0 H ILE A 10 8.567 9.358 -4.987 1.00 0.00 H new ATOM 0 HA ILE A 10 8.076 7.095 -6.879 1.00 0.00 H new ATOM 0 HB ILE A 10 10.356 8.234 -6.497 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.168 5.235 -6.045 1.00 0.00 H new ATOM 0 HG13 ILE A 10 9.868 6.003 -7.591 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.681 7.414 -4.603 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.338 8.469 -4.101 1.00 0.00 H new ATOM 0 HG23 ILE A 10 10.211 6.706 -3.893 1.00 0.00 H new ATOM 0 HD11 ILE A 10 12.162 5.116 -7.483 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.190 6.890 -7.616 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.494 6.111 -6.046 1.00 0.00 H new ATOM 141 N CYS A 11 7.351 5.396 -5.161 1.00 0.00 N ATOM 142 CA CYS A 11 6.641 4.508 -4.218 1.00 0.00 C ATOM 143 C CYS A 11 7.078 3.039 -4.309 1.00 0.00 C ATOM 144 O CYS A 11 7.702 2.607 -5.280 1.00 0.00 O ATOM 145 CB CYS A 11 5.119 4.672 -4.382 1.00 0.00 C ATOM 146 SG CYS A 11 4.401 3.881 -5.848 1.00 0.00 S ATOM 0 H CYS A 11 7.526 4.970 -6.071 1.00 0.00 H new ATOM 0 HA CYS A 11 6.920 4.820 -3.212 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.630 4.267 -3.496 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.887 5.737 -4.415 1.00 0.00 H new ATOM 151 N SER A 12 6.771 2.259 -3.271 1.00 0.00 N ATOM 152 CA SER A 12 7.278 0.891 -3.081 1.00 0.00 C ATOM 153 C SER A 12 6.162 -0.156 -3.192 1.00 0.00 C ATOM 154 O SER A 12 5.026 0.099 -2.794 1.00 0.00 O ATOM 155 CB SER A 12 7.935 0.769 -1.695 1.00 0.00 C ATOM 156 OG SER A 12 8.926 1.765 -1.493 1.00 0.00 O ATOM 0 H SER A 12 6.150 2.563 -2.521 1.00 0.00 H new ATOM 0 HA SER A 12 8.006 0.701 -3.870 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.171 0.854 -0.922 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.385 -0.218 -1.592 1.00 0.00 H new ATOM 0 HG SER A 12 9.320 1.658 -0.602 1.00 0.00 H new ATOM 162 N LEU A 13 6.483 -1.375 -3.644 1.00 0.00 N ATOM 163 CA LEU A 13 5.509 -2.476 -3.742 1.00 0.00 C ATOM 164 C LEU A 13 4.923 -2.846 -2.369 1.00 0.00 C ATOM 165 O LEU A 13 3.740 -3.159 -2.243 1.00 0.00 O ATOM 166 CB LEU A 13 6.191 -3.695 -4.384 1.00 0.00 C ATOM 167 CG LEU A 13 6.801 -3.487 -5.789 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.173 -4.861 -6.361 1.00 0.00 C ATOM 169 CD2 LEU A 13 5.867 -2.772 -6.780 1.00 0.00 C ATOM 0 H LEU A 13 7.422 -1.628 -3.952 1.00 0.00 H new ATOM 0 HA LEU A 13 4.677 -2.147 -4.365 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.983 -4.034 -3.716 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.460 -4.501 -4.446 1.00 0.00 H new ATOM 0 HG LEU A 13 7.670 -2.840 -5.665 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.606 -4.737 -7.354 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.899 -5.343 -5.706 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.279 -5.481 -6.430 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.370 -2.665 -7.741 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.957 -3.358 -6.909 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.612 -1.786 -6.392 1.00 0.00 H new ATOM 181 N TYR A 14 5.733 -2.720 -1.317 1.00 0.00 N ATOM 182 CA TYR A 14 5.315 -2.885 0.078 1.00 0.00 C ATOM 183 C TYR A 14 4.250 -1.860 0.515 1.00 0.00 C ATOM 184 O TYR A 14 3.375 -2.168 1.325 1.00 0.00 O ATOM 185 CB TYR A 14 6.568 -2.757 0.957 1.00 0.00 C ATOM 186 CG TYR A 14 7.696 -3.697 0.568 1.00 0.00 C ATOM 187 CD1 TYR A 14 7.565 -5.083 0.775 1.00 0.00 C ATOM 188 CD2 TYR A 14 8.855 -3.191 -0.059 1.00 0.00 C ATOM 189 CE1 TYR A 14 8.580 -5.965 0.354 1.00 0.00 C ATOM 190 CE2 TYR A 14 9.871 -4.069 -0.490 1.00 0.00 C ATOM 191 CZ TYR A 14 9.734 -5.462 -0.291 1.00 0.00 C ATOM 192 OH TYR A 14 10.711 -6.313 -0.721 1.00 0.00 O ATOM 0 H TYR A 14 6.723 -2.495 -1.413 1.00 0.00 H new ATOM 0 HA TYR A 14 4.849 -3.864 0.187 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.931 -1.730 0.907 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.292 -2.947 1.994 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.682 -5.473 1.259 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.964 -2.127 -0.209 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.477 -7.027 0.524 1.00 0.00 H new ATOM 0 HE2 TYR A 14 10.754 -3.677 -0.972 1.00 0.00 H new ATOM 0 HH TYR A 14 11.431 -5.799 -1.143 1.00 0.00 H new ATOM 202 N GLN A 15 4.301 -0.652 -0.055 1.00 0.00 N ATOM 203 CA GLN A 15 3.299 0.402 0.144 1.00 0.00 C ATOM 204 C GLN A 15 2.072 0.197 -0.759 1.00 0.00 C ATOM 205 O GLN A 15 0.965 0.512 -0.325 1.00 0.00 O ATOM 206 CB GLN A 15 3.922 1.792 -0.092 1.00 0.00 C ATOM 207 CG GLN A 15 5.022 2.159 0.923 1.00 0.00 C ATOM 208 CD GLN A 15 4.491 2.264 2.356 1.00 0.00 C ATOM 209 OE1 GLN A 15 4.676 1.378 3.182 1.00 0.00 O ATOM 210 NE2 GLN A 15 3.790 3.326 2.702 1.00 0.00 N ATOM 0 H GLN A 15 5.056 -0.373 -0.681 1.00 0.00 H new ATOM 0 HA GLN A 15 2.958 0.343 1.178 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.342 1.826 -1.097 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.135 2.545 -0.049 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.811 1.407 0.886 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.473 3.109 0.636 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.627 4.072 2.026 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.411 3.401 3.646 1.00 0.00 H new ATOM 219 N LEU A 16 2.221 -0.385 -1.960 1.00 0.00 N ATOM 220 CA LEU A 16 1.078 -0.837 -2.768 1.00 0.00 C ATOM 221 C LEU A 16 0.276 -1.931 -2.043 1.00 0.00 C ATOM 222 O LEU A 16 -0.952 -1.912 -2.090 1.00 0.00 O ATOM 223 CB LEU A 16 1.531 -1.346 -4.155 1.00 0.00 C ATOM 224 CG LEU A 16 2.262 -0.341 -5.062 1.00 0.00 C ATOM 225 CD1 LEU A 16 2.484 -0.979 -6.441 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.487 0.969 -5.236 1.00 0.00 C ATOM 0 H LEU A 16 3.128 -0.554 -2.394 1.00 0.00 H new ATOM 0 HA LEU A 16 0.431 0.028 -2.913 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.185 -2.205 -4.004 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.651 -1.706 -4.688 1.00 0.00 H new ATOM 0 HG LEU A 16 3.211 -0.099 -4.583 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.002 -0.272 -7.090 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.087 -1.881 -6.332 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.521 -1.238 -6.882 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.049 1.641 -5.885 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.515 0.760 -5.684 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.345 1.439 -4.263 1.00 0.00 H new ATOM 238 N GLU A 17 0.947 -2.854 -1.342 1.00 0.00 N ATOM 239 CA GLU A 17 0.283 -3.952 -0.621 1.00 0.00 C ATOM 240 C GLU A 17 -0.677 -3.468 0.485 1.00 0.00 C ATOM 241 O GLU A 17 -1.669 -4.138 0.786 1.00 0.00 O ATOM 242 CB GLU A 17 1.325 -4.945 -0.079 1.00 0.00 C ATOM 243 CG GLU A 17 0.658 -6.218 0.472 1.00 0.00 C ATOM 244 CD GLU A 17 1.611 -7.415 0.603 1.00 0.00 C ATOM 245 OE1 GLU A 17 2.797 -7.244 0.969 1.00 0.00 O ATOM 246 OE2 GLU A 17 1.150 -8.559 0.373 1.00 0.00 O ATOM 0 H GLU A 17 1.963 -2.862 -1.258 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.348 -4.469 -1.344 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.022 -5.213 -0.873 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.908 -4.468 0.709 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.231 -5.998 1.450 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.169 -6.495 -0.182 1.00 0.00 H new ATOM 253 N ASN A 18 -0.451 -2.274 1.047 1.00 0.00 N ATOM 254 CA ASN A 18 -1.375 -1.643 1.999 1.00 0.00 C ATOM 255 C ASN A 18 -2.790 -1.391 1.415 1.00 0.00 C ATOM 256 O ASN A 18 -3.763 -1.303 2.168 1.00 0.00 O ATOM 257 CB ASN A 18 -0.742 -0.329 2.490 1.00 0.00 C ATOM 258 CG ASN A 18 -1.510 0.295 3.652 1.00 0.00 C ATOM 259 OD1 ASN A 18 -2.198 1.298 3.504 1.00 0.00 O ATOM 260 ND2 ASN A 18 -1.418 -0.275 4.843 1.00 0.00 N ATOM 0 H ASN A 18 0.381 -1.716 0.854 1.00 0.00 H new ATOM 0 HA ASN A 18 -1.526 -2.333 2.829 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.286 -0.519 2.799 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.701 0.381 1.664 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.920 0.121 5.638 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.845 -1.110 4.966 1.00 0.00 H new ATOM 267 N TYR A 19 -2.917 -1.305 0.085 1.00 0.00 N ATOM 268 CA TYR A 19 -4.173 -1.080 -0.641 1.00 0.00 C ATOM 269 C TYR A 19 -4.826 -2.371 -1.184 1.00 0.00 C ATOM 270 O TYR A 19 -5.887 -2.305 -1.810 1.00 0.00 O ATOM 271 CB TYR A 19 -3.893 -0.066 -1.756 1.00 0.00 C ATOM 272 CG TYR A 19 -3.485 1.293 -1.218 1.00 0.00 C ATOM 273 CD1 TYR A 19 -4.464 2.191 -0.748 1.00 0.00 C ATOM 274 CD2 TYR A 19 -2.123 1.628 -1.119 1.00 0.00 C ATOM 275 CE1 TYR A 19 -4.081 3.418 -0.175 1.00 0.00 C ATOM 276 CE2 TYR A 19 -1.733 2.848 -0.531 1.00 0.00 C ATOM 277 CZ TYR A 19 -2.712 3.749 -0.057 1.00 0.00 C ATOM 278 OH TYR A 19 -2.340 4.933 0.504 1.00 0.00 O ATOM 0 H TYR A 19 -2.116 -1.394 -0.540 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.911 -0.688 0.059 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -3.103 -0.450 -2.401 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -4.784 0.044 -2.374 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.511 1.937 -0.828 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.373 0.948 -1.495 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.835 4.108 0.175 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.685 3.094 -0.443 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.362 5.000 0.508 1.00 0.00 H new ATOM 288 N CYS A 20 -4.238 -3.548 -0.941 1.00 0.00 N ATOM 289 CA CYS A 20 -4.902 -4.838 -1.196 1.00 0.00 C ATOM 290 C CYS A 20 -6.106 -5.063 -0.257 1.00 0.00 C ATOM 291 O CYS A 20 -6.153 -4.532 0.857 1.00 0.00 O ATOM 292 CB CYS A 20 -3.908 -6.000 -1.069 1.00 0.00 C ATOM 293 SG CYS A 20 -2.429 -5.889 -2.106 1.00 0.00 S ATOM 0 H CYS A 20 -3.294 -3.637 -0.564 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.279 -4.806 -2.218 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -3.594 -6.072 -0.028 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.429 -6.927 -1.310 1.00 0.00 H new ATOM 298 N ASN A 21 -7.078 -5.863 -0.707 1.00 0.00 N ATOM 299 CA ASN A 21 -8.284 -6.229 0.056 1.00 0.00 C ATOM 300 C ASN A 21 -7.973 -7.157 1.253 1.00 0.00 C ATOM 301 O ASN A 21 -7.187 -8.121 1.083 1.00 0.00 O ATOM 302 CB ASN A 21 -9.304 -6.853 -0.919 1.00 0.00 C ATOM 303 CG ASN A 21 -10.619 -7.226 -0.245 1.00 0.00 C ATOM 304 OD1 ASN A 21 -10.930 -8.386 -0.009 1.00 0.00 O ATOM 305 ND2 ASN A 21 -11.439 -6.251 0.087 1.00 0.00 N ATOM 306 OXT ASN A 21 -8.527 -6.923 2.350 1.00 0.00 O ATOM 0 H ASN A 21 -7.051 -6.286 -1.635 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.710 -5.330 0.502 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.503 -6.150 -1.728 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.868 -7.744 -1.371 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.328 -6.464 0.539 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.185 -5.282 -0.107 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 11.740 -6.472 -4.682 1.00 0.00 N ATOM 315 CA PHE B 1 11.986 -5.645 -5.893 1.00 0.00 C ATOM 316 C PHE B 1 12.078 -4.153 -5.529 1.00 0.00 C ATOM 317 O PHE B 1 11.656 -3.758 -4.442 1.00 0.00 O ATOM 318 CB PHE B 1 10.919 -5.912 -6.974 1.00 0.00 C ATOM 319 CG PHE B 1 11.180 -5.244 -8.316 1.00 0.00 C ATOM 320 CD1 PHE B 1 12.173 -5.751 -9.176 1.00 0.00 C ATOM 321 CD2 PHE B 1 10.456 -4.097 -8.696 1.00 0.00 C ATOM 322 CE1 PHE B 1 12.441 -5.115 -10.403 1.00 0.00 C ATOM 323 CE2 PHE B 1 10.724 -3.463 -9.922 1.00 0.00 C ATOM 324 CZ PHE B 1 11.718 -3.971 -10.776 1.00 0.00 C ATOM 0 H1 PHE B 1 12.591 -7.029 -4.463 1.00 0.00 H new ATOM 0 H2 PHE B 1 11.515 -5.852 -3.878 1.00 0.00 H new ATOM 0 H3 PHE B 1 10.941 -7.115 -4.857 1.00 0.00 H new ATOM 0 HA PHE B 1 12.948 -5.935 -6.315 1.00 0.00 H new ATOM 0 HB2 PHE B 1 10.843 -6.988 -7.130 1.00 0.00 H new ATOM 0 HB3 PHE B 1 9.952 -5.575 -6.600 1.00 0.00 H new ATOM 0 HD1 PHE B 1 12.731 -6.631 -8.893 1.00 0.00 H new ATOM 0 HD2 PHE B 1 9.692 -3.703 -8.043 1.00 0.00 H new ATOM 0 HE1 PHE B 1 13.204 -5.508 -11.058 1.00 0.00 H new ATOM 0 HE2 PHE B 1 10.165 -2.584 -10.208 1.00 0.00 H new ATOM 0 HZ PHE B 1 11.925 -3.483 -11.717 1.00 0.00 H new ATOM 336 N VAL B 2 12.638 -3.317 -6.414 1.00 0.00 N ATOM 337 CA VAL B 2 12.896 -1.883 -6.165 1.00 0.00 C ATOM 338 C VAL B 2 11.627 -1.018 -6.202 1.00 0.00 C ATOM 339 O VAL B 2 10.635 -1.346 -6.852 1.00 0.00 O ATOM 340 CB VAL B 2 13.967 -1.292 -7.122 1.00 0.00 C ATOM 341 CG1 VAL B 2 15.336 -1.948 -6.879 1.00 0.00 C ATOM 342 CG2 VAL B 2 13.590 -1.408 -8.605 1.00 0.00 C ATOM 0 H VAL B 2 12.932 -3.620 -7.343 1.00 0.00 H new ATOM 0 HA VAL B 2 13.287 -1.850 -5.148 1.00 0.00 H new ATOM 0 HB VAL B 2 14.021 -0.228 -6.890 1.00 0.00 H new ATOM 0 HG11 VAL B 2 16.071 -1.519 -7.560 1.00 0.00 H new ATOM 0 HG12 VAL B 2 15.647 -1.770 -5.850 1.00 0.00 H new ATOM 0 HG13 VAL B 2 15.262 -3.021 -7.055 1.00 0.00 H new ATOM 0 HG21 VAL B 2 14.382 -0.976 -9.217 1.00 0.00 H new ATOM 0 HG22 VAL B 2 13.462 -2.458 -8.867 1.00 0.00 H new ATOM 0 HG23 VAL B 2 12.658 -0.872 -8.787 1.00 0.00 H new ATOM 352 N ASN B 3 11.693 0.125 -5.514 1.00 0.00 N ATOM 353 CA ASN B 3 10.711 1.214 -5.553 1.00 0.00 C ATOM 354 C ASN B 3 10.826 2.039 -6.849 1.00 0.00 C ATOM 355 O ASN B 3 11.909 2.145 -7.435 1.00 0.00 O ATOM 356 CB ASN B 3 10.859 2.075 -4.284 1.00 0.00 C ATOM 357 CG ASN B 3 12.242 2.699 -4.117 1.00 0.00 C ATOM 358 OD1 ASN B 3 12.546 3.746 -4.675 1.00 0.00 O ATOM 359 ND2 ASN B 3 13.124 2.075 -3.351 1.00 0.00 N ATOM 0 H ASN B 3 12.470 0.327 -4.884 1.00 0.00 H new ATOM 0 HA ASN B 3 9.706 0.793 -5.564 1.00 0.00 H new ATOM 0 HB2 ASN B 3 10.113 2.870 -4.307 1.00 0.00 H new ATOM 0 HB3 ASN B 3 10.642 1.459 -3.412 1.00 0.00 H new ATOM 0 HD21 ASN B 3 14.058 2.466 -3.225 1.00 0.00 H new ATOM 0 HD22 ASN B 3 12.870 1.203 -2.887 1.00 0.00 H new ATOM 366 N GLN B 4 9.705 2.578 -7.337 1.00 0.00 N ATOM 367 CA GLN B 4 9.552 3.061 -8.712 1.00 0.00 C ATOM 368 C GLN B 4 8.534 4.208 -8.818 1.00 0.00 C ATOM 369 O GLN B 4 7.702 4.416 -7.935 1.00 0.00 O ATOM 370 CB GLN B 4 9.103 1.883 -9.608 1.00 0.00 C ATOM 371 CG GLN B 4 10.215 0.869 -9.951 1.00 0.00 C ATOM 372 CD GLN B 4 11.295 1.416 -10.891 1.00 0.00 C ATOM 373 OE1 GLN B 4 11.301 2.573 -11.297 1.00 0.00 O ATOM 374 NE2 GLN B 4 12.245 0.598 -11.301 1.00 0.00 N ATOM 0 H GLN B 4 8.861 2.693 -6.775 1.00 0.00 H new ATOM 0 HA GLN B 4 10.514 3.453 -9.041 1.00 0.00 H new ATOM 0 HB2 GLN B 4 8.291 1.355 -9.109 1.00 0.00 H new ATOM 0 HB3 GLN B 4 8.699 2.285 -10.537 1.00 0.00 H new ATOM 0 HG2 GLN B 4 10.688 0.538 -9.026 1.00 0.00 H new ATOM 0 HG3 GLN B 4 9.761 -0.010 -10.409 1.00 0.00 H new ATOM 0 HE21 GLN B 4 12.260 -0.369 -10.977 1.00 0.00 H new ATOM 0 HE22 GLN B 4 12.964 0.932 -11.942 1.00 0.00 H new ATOM 383 N HIS B 5 8.589 4.953 -9.925 1.00 0.00 N ATOM 384 CA HIS B 5 7.515 5.852 -10.351 1.00 0.00 C ATOM 385 C HIS B 5 6.487 5.053 -11.171 1.00 0.00 C ATOM 386 O HIS B 5 6.853 4.329 -12.105 1.00 0.00 O ATOM 387 CB HIS B 5 8.087 7.005 -11.189 1.00 0.00 C ATOM 388 CG HIS B 5 9.010 7.922 -10.430 1.00 0.00 C ATOM 389 ND1 HIS B 5 8.638 8.878 -9.516 1.00 0.00 N ATOM 390 CD2 HIS B 5 10.369 8.013 -10.567 1.00 0.00 C ATOM 391 CE1 HIS B 5 9.736 9.539 -9.122 1.00 0.00 C ATOM 392 NE2 HIS B 5 10.829 9.044 -9.733 1.00 0.00 N ATOM 0 H HIS B 5 9.389 4.948 -10.557 1.00 0.00 H new ATOM 0 HA HIS B 5 7.027 6.278 -9.474 1.00 0.00 H new ATOM 0 HB2 HIS B 5 8.626 6.588 -12.040 1.00 0.00 H new ATOM 0 HB3 HIS B 5 7.261 7.591 -11.591 1.00 0.00 H new ATOM 0 HD1 HIS B 5 7.687 9.055 -9.192 1.00 0.00 H new ATOM 0 HD2 HIS B 5 10.983 7.397 -11.207 1.00 0.00 H new ATOM 0 HE1 HIS B 5 9.743 10.354 -8.414 1.00 0.00 H new ATOM 400 N LEU B 6 5.203 5.182 -10.829 1.00 0.00 N ATOM 401 CA LEU B 6 4.100 4.386 -11.375 1.00 0.00 C ATOM 402 C LEU B 6 2.859 5.276 -11.538 1.00 0.00 C ATOM 403 O LEU B 6 2.438 5.939 -10.592 1.00 0.00 O ATOM 404 CB LEU B 6 3.821 3.212 -10.410 1.00 0.00 C ATOM 405 CG LEU B 6 4.898 2.112 -10.324 1.00 0.00 C ATOM 406 CD1 LEU B 6 4.553 1.158 -9.171 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.994 1.305 -11.630 1.00 0.00 C ATOM 0 H LEU B 6 4.891 5.867 -10.141 1.00 0.00 H new ATOM 0 HA LEU B 6 4.360 3.987 -12.355 1.00 0.00 H new ATOM 0 HB2 LEU B 6 3.673 3.621 -9.411 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.881 2.745 -10.706 1.00 0.00 H new ATOM 0 HG LEU B 6 5.860 2.595 -10.152 1.00 0.00 H new ATOM 0 HD11 LEU B 6 5.311 0.378 -9.105 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.523 1.715 -8.234 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.579 0.703 -9.354 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.764 0.540 -11.529 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.035 0.830 -11.835 1.00 0.00 H new ATOM 0 HD23 LEU B 6 5.251 1.973 -12.452 1.00 0.00 H new ATOM 419 N CYS B 7 2.253 5.274 -12.727 1.00 0.00 N ATOM 420 CA CYS B 7 1.106 6.118 -13.088 1.00 0.00 C ATOM 421 C CYS B 7 -0.002 5.288 -13.752 1.00 0.00 C ATOM 422 O CYS B 7 0.279 4.371 -14.531 1.00 0.00 O ATOM 423 CB CYS B 7 1.577 7.214 -14.061 1.00 0.00 C ATOM 424 SG CYS B 7 2.927 8.293 -13.487 1.00 0.00 S ATOM 0 H CYS B 7 2.554 4.668 -13.490 1.00 0.00 H new ATOM 0 HA CYS B 7 0.701 6.565 -12.180 1.00 0.00 H new ATOM 0 HB2 CYS B 7 1.895 6.734 -14.986 1.00 0.00 H new ATOM 0 HB3 CYS B 7 0.721 7.842 -14.306 1.00 0.00 H new ATOM 429 N GLY B 8 -1.263 5.622 -13.468 1.00 0.00 N ATOM 430 CA GLY B 8 -2.446 5.167 -14.223 1.00 0.00 C ATOM 431 C GLY B 8 -2.559 3.646 -14.364 1.00 0.00 C ATOM 432 O GLY B 8 -2.498 2.907 -13.379 1.00 0.00 O ATOM 0 H GLY B 8 -1.502 6.233 -12.687 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -3.343 5.542 -13.730 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -2.420 5.611 -15.218 1.00 0.00 H new ATOM 436 N SER B 9 -2.718 3.166 -15.595 1.00 0.00 N ATOM 437 CA SER B 9 -2.891 1.740 -15.909 1.00 0.00 C ATOM 438 C SER B 9 -1.682 0.899 -15.475 1.00 0.00 C ATOM 439 O SER B 9 -1.845 -0.228 -15.010 1.00 0.00 O ATOM 440 CB SER B 9 -3.123 1.568 -17.418 1.00 0.00 C ATOM 441 OG SER B 9 -4.211 2.372 -17.863 1.00 0.00 O ATOM 0 H SER B 9 -2.731 3.764 -16.421 1.00 0.00 H new ATOM 0 HA SER B 9 -3.757 1.384 -15.351 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.219 1.841 -17.962 1.00 0.00 H new ATOM 0 HB3 SER B 9 -3.325 0.520 -17.641 1.00 0.00 H new ATOM 0 HG SER B 9 -4.338 2.247 -18.827 1.00 0.00 H new ATOM 447 N HIS B 10 -0.469 1.455 -15.541 1.00 0.00 N ATOM 448 CA HIS B 10 0.760 0.780 -15.115 1.00 0.00 C ATOM 449 C HIS B 10 0.822 0.640 -13.579 1.00 0.00 C ATOM 450 O HIS B 10 1.227 -0.405 -13.068 1.00 0.00 O ATOM 451 CB HIS B 10 1.958 1.579 -15.650 1.00 0.00 C ATOM 452 CG HIS B 10 1.919 1.824 -17.142 1.00 0.00 C ATOM 453 ND1 HIS B 10 2.092 3.036 -17.770 1.00 0.00 N ATOM 454 CD2 HIS B 10 1.668 0.897 -18.120 1.00 0.00 C ATOM 455 CE1 HIS B 10 1.948 2.845 -19.094 1.00 0.00 C ATOM 456 NE2 HIS B 10 1.685 1.552 -19.358 1.00 0.00 N ATOM 0 H HIS B 10 -0.311 2.398 -15.896 1.00 0.00 H new ATOM 0 HA HIS B 10 0.781 -0.232 -15.520 1.00 0.00 H new ATOM 0 HB2 HIS B 10 2.000 2.539 -15.136 1.00 0.00 H new ATOM 0 HB3 HIS B 10 2.876 1.046 -15.404 1.00 0.00 H new ATOM 0 HD2 HIS B 10 1.488 -0.156 -17.963 1.00 0.00 H new ATOM 0 HE1 HIS B 10 2.032 3.621 -19.841 1.00 0.00 H new ATOM 0 HE2 HIS B 10 1.529 1.133 -20.275 1.00 0.00 H new ATOM 464 N LEU B 11 0.351 1.655 -12.841 1.00 0.00 N ATOM 465 CA LEU B 11 0.177 1.591 -11.387 1.00 0.00 C ATOM 466 C LEU B 11 -0.911 0.585 -10.994 1.00 0.00 C ATOM 467 O LEU B 11 -0.688 -0.229 -10.101 1.00 0.00 O ATOM 468 CB LEU B 11 -0.139 3.004 -10.862 1.00 0.00 C ATOM 469 CG LEU B 11 -0.453 3.084 -9.359 1.00 0.00 C ATOM 470 CD1 LEU B 11 0.683 2.568 -8.470 1.00 0.00 C ATOM 471 CD2 LEU B 11 -0.755 4.542 -9.007 1.00 0.00 C ATOM 0 H LEU B 11 0.078 2.552 -13.243 1.00 0.00 H new ATOM 0 HA LEU B 11 1.101 1.237 -10.929 1.00 0.00 H new ATOM 0 HB2 LEU B 11 0.710 3.653 -11.075 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -0.990 3.400 -11.417 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.310 2.438 -9.168 1.00 0.00 H new ATOM 0 HD11 LEU B 11 0.393 2.654 -7.423 1.00 0.00 H new ATOM 0 HD12 LEU B 11 0.884 1.523 -8.706 1.00 0.00 H new ATOM 0 HD13 LEU B 11 1.581 3.159 -8.648 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -0.981 4.620 -7.943 1.00 0.00 H new ATOM 0 HD22 LEU B 11 0.112 5.160 -9.240 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -1.612 4.886 -9.586 1.00 0.00 H new ATOM 483 N VAL B 12 -2.060 0.612 -11.669 1.00 0.00 N ATOM 484 CA VAL B 12 -3.161 -0.338 -11.424 1.00 0.00 C ATOM 485 C VAL B 12 -2.737 -1.784 -11.736 1.00 0.00 C ATOM 486 O VAL B 12 -3.100 -2.693 -10.994 1.00 0.00 O ATOM 487 CB VAL B 12 -4.437 0.074 -12.197 1.00 0.00 C ATOM 488 CG1 VAL B 12 -5.549 -0.988 -12.154 1.00 0.00 C ATOM 489 CG2 VAL B 12 -5.013 1.372 -11.602 1.00 0.00 C ATOM 0 H VAL B 12 -2.260 1.291 -12.403 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.403 -0.302 -10.362 1.00 0.00 H new ATOM 0 HB VAL B 12 -4.128 0.203 -13.234 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -6.413 -0.633 -12.716 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -5.184 -1.915 -12.597 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -5.839 -1.170 -11.119 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -5.911 1.657 -12.151 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -5.264 1.212 -10.553 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.273 2.168 -11.680 1.00 0.00 H new ATOM 499 N GLU B 13 -1.915 -1.995 -12.770 1.00 0.00 N ATOM 500 CA GLU B 13 -1.305 -3.292 -13.079 1.00 0.00 C ATOM 501 C GLU B 13 -0.309 -3.734 -11.995 1.00 0.00 C ATOM 502 O GLU B 13 -0.380 -4.869 -11.528 1.00 0.00 O ATOM 503 CB GLU B 13 -0.626 -3.223 -14.454 1.00 0.00 C ATOM 504 CG GLU B 13 -0.149 -4.596 -14.936 1.00 0.00 C ATOM 505 CD GLU B 13 0.384 -4.515 -16.373 1.00 0.00 C ATOM 506 OE1 GLU B 13 1.566 -4.146 -16.565 1.00 0.00 O ATOM 507 OE2 GLU B 13 -0.378 -4.822 -17.321 1.00 0.00 O ATOM 0 H GLU B 13 -1.651 -1.259 -13.425 1.00 0.00 H new ATOM 0 HA GLU B 13 -2.094 -4.043 -13.103 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -1.324 -2.807 -15.181 1.00 0.00 H new ATOM 0 HB3 GLU B 13 0.224 -2.543 -14.403 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.633 -4.967 -14.274 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -0.972 -5.309 -14.888 1.00 0.00 H new ATOM 514 N ALA B 14 0.595 -2.853 -11.557 1.00 0.00 N ATOM 515 CA ALA B 14 1.550 -3.148 -10.482 1.00 0.00 C ATOM 516 C ALA B 14 0.836 -3.515 -9.170 1.00 0.00 C ATOM 517 O ALA B 14 1.159 -4.533 -8.553 1.00 0.00 O ATOM 518 CB ALA B 14 2.487 -1.947 -10.313 1.00 0.00 C ATOM 0 H ALA B 14 0.686 -1.911 -11.939 1.00 0.00 H new ATOM 0 HA ALA B 14 2.141 -4.023 -10.753 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.202 -2.153 -9.517 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.023 -1.770 -11.245 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.903 -1.063 -10.056 1.00 0.00 H new ATOM 524 N LEU B 15 -0.181 -2.741 -8.781 1.00 0.00 N ATOM 525 CA LEU B 15 -1.037 -3.004 -7.623 1.00 0.00 C ATOM 526 C LEU B 15 -1.728 -4.366 -7.749 1.00 0.00 C ATOM 527 O LEU B 15 -1.618 -5.191 -6.847 1.00 0.00 O ATOM 528 CB LEU B 15 -2.029 -1.833 -7.492 1.00 0.00 C ATOM 529 CG LEU B 15 -3.029 -1.937 -6.324 1.00 0.00 C ATOM 530 CD1 LEU B 15 -2.352 -2.082 -4.957 1.00 0.00 C ATOM 531 CD2 LEU B 15 -3.907 -0.678 -6.313 1.00 0.00 C ATOM 0 H LEU B 15 -0.438 -1.889 -9.279 1.00 0.00 H new ATOM 0 HA LEU B 15 -0.446 -3.063 -6.709 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -1.461 -0.910 -7.380 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -2.591 -1.750 -8.422 1.00 0.00 H new ATOM 0 HG LEU B 15 -3.619 -2.839 -6.485 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -3.113 -2.150 -4.180 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.742 -2.985 -4.947 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.719 -1.214 -4.770 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -4.620 -0.739 -5.491 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -3.278 0.203 -6.184 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -4.447 -0.603 -7.257 1.00 0.00 H new ATOM 543 N TYR B 16 -2.362 -4.649 -8.891 1.00 0.00 N ATOM 544 CA TYR B 16 -2.956 -5.963 -9.176 1.00 0.00 C ATOM 545 C TYR B 16 -1.946 -7.120 -9.064 1.00 0.00 C ATOM 546 O TYR B 16 -2.271 -8.164 -8.503 1.00 0.00 O ATOM 547 CB TYR B 16 -3.611 -5.950 -10.566 1.00 0.00 C ATOM 548 CG TYR B 16 -4.121 -7.312 -11.007 1.00 0.00 C ATOM 549 CD1 TYR B 16 -5.158 -7.950 -10.296 1.00 0.00 C ATOM 550 CD2 TYR B 16 -3.519 -7.969 -12.100 1.00 0.00 C ATOM 551 CE1 TYR B 16 -5.589 -9.236 -10.666 1.00 0.00 C ATOM 552 CE2 TYR B 16 -3.949 -9.254 -12.483 1.00 0.00 C ATOM 553 CZ TYR B 16 -4.982 -9.895 -11.763 1.00 0.00 C ATOM 554 OH TYR B 16 -5.398 -11.142 -12.120 1.00 0.00 O ATOM 0 H TYR B 16 -2.479 -3.974 -9.646 1.00 0.00 H new ATOM 0 HA TYR B 16 -3.714 -6.144 -8.413 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -4.441 -5.244 -10.561 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -2.888 -5.587 -11.297 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -5.624 -7.447 -9.462 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -2.724 -7.484 -12.646 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -6.381 -9.720 -10.115 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -3.490 -9.749 -13.326 1.00 0.00 H new ATOM 0 HH TYR B 16 -4.880 -11.451 -12.893 1.00 0.00 H new ATOM 564 N LEU B 17 -0.713 -6.940 -9.550 1.00 0.00 N ATOM 565 CA LEU B 17 0.350 -7.956 -9.489 1.00 0.00 C ATOM 566 C LEU B 17 0.908 -8.149 -8.073 1.00 0.00 C ATOM 567 O LEU B 17 1.204 -9.278 -7.685 1.00 0.00 O ATOM 568 CB LEU B 17 1.463 -7.596 -10.494 1.00 0.00 C ATOM 569 CG LEU B 17 1.077 -7.794 -11.977 1.00 0.00 C ATOM 570 CD1 LEU B 17 2.167 -7.188 -12.870 1.00 0.00 C ATOM 571 CD2 LEU B 17 0.895 -9.279 -12.336 1.00 0.00 C ATOM 0 H LEU B 17 -0.419 -6.075 -10.003 1.00 0.00 H new ATOM 0 HA LEU B 17 -0.087 -8.916 -9.765 1.00 0.00 H new ATOM 0 HB2 LEU B 17 1.749 -6.555 -10.342 1.00 0.00 H new ATOM 0 HB3 LEU B 17 2.342 -8.203 -10.276 1.00 0.00 H new ATOM 0 HG LEU B 17 0.123 -7.293 -12.140 1.00 0.00 H new ATOM 0 HD11 LEU B 17 1.898 -7.326 -13.917 1.00 0.00 H new ATOM 0 HD12 LEU B 17 2.262 -6.123 -12.657 1.00 0.00 H new ATOM 0 HD13 LEU B 17 3.117 -7.684 -12.671 1.00 0.00 H new ATOM 0 HD21 LEU B 17 0.624 -9.368 -13.388 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.827 -9.814 -12.154 1.00 0.00 H new ATOM 0 HD23 LEU B 17 0.104 -9.708 -11.720 1.00 0.00 H new ATOM 583 N VAL B 18 1.000 -7.076 -7.285 1.00 0.00 N ATOM 584 CA VAL B 18 1.341 -7.138 -5.849 1.00 0.00 C ATOM 585 C VAL B 18 0.261 -7.894 -5.064 1.00 0.00 C ATOM 586 O VAL B 18 0.577 -8.771 -4.259 1.00 0.00 O ATOM 587 CB VAL B 18 1.562 -5.722 -5.257 1.00 0.00 C ATOM 588 CG1 VAL B 18 1.575 -5.691 -3.718 1.00 0.00 C ATOM 589 CG2 VAL B 18 2.903 -5.151 -5.747 1.00 0.00 C ATOM 0 H VAL B 18 0.840 -6.127 -7.622 1.00 0.00 H new ATOM 0 HA VAL B 18 2.279 -7.685 -5.756 1.00 0.00 H new ATOM 0 HB VAL B 18 0.717 -5.125 -5.600 1.00 0.00 H new ATOM 0 HG11 VAL B 18 1.734 -4.668 -3.376 1.00 0.00 H new ATOM 0 HG12 VAL B 18 0.621 -6.056 -3.339 1.00 0.00 H new ATOM 0 HG13 VAL B 18 2.380 -6.327 -3.348 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.050 -4.156 -5.326 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.715 -5.804 -5.427 1.00 0.00 H new ATOM 0 HG23 VAL B 18 2.896 -5.087 -6.835 1.00 0.00 H new ATOM 599 N CYS B 19 -1.017 -7.584 -5.309 1.00 0.00 N ATOM 600 CA CYS B 19 -2.140 -8.167 -4.563 1.00 0.00 C ATOM 601 C CYS B 19 -2.495 -9.590 -5.009 1.00 0.00 C ATOM 602 O CYS B 19 -2.954 -10.388 -4.189 1.00 0.00 O ATOM 603 CB CYS B 19 -3.362 -7.249 -4.668 1.00 0.00 C ATOM 604 SG CYS B 19 -3.096 -5.584 -4.000 1.00 0.00 S ATOM 0 H CYS B 19 -1.303 -6.922 -6.030 1.00 0.00 H new ATOM 0 HA CYS B 19 -1.823 -8.248 -3.523 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -3.652 -7.167 -5.715 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -4.197 -7.711 -4.141 1.00 0.00 H new ATOM 609 N GLY B 20 -2.291 -9.925 -6.283 1.00 0.00 N ATOM 610 CA GLY B 20 -2.685 -11.211 -6.861 1.00 0.00 C ATOM 611 C GLY B 20 -4.205 -11.392 -6.838 1.00 0.00 C ATOM 612 O GLY B 20 -4.959 -10.454 -7.112 1.00 0.00 O ATOM 0 H GLY B 20 -1.841 -9.302 -6.953 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -2.325 -11.276 -7.888 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -2.212 -12.021 -6.306 1.00 0.00 H new ATOM 616 N GLU B 21 -4.657 -12.596 -6.485 1.00 0.00 N ATOM 617 CA GLU B 21 -6.078 -12.968 -6.434 1.00 0.00 C ATOM 618 C GLU B 21 -6.875 -12.246 -5.324 1.00 0.00 C ATOM 619 O GLU B 21 -8.107 -12.214 -5.375 1.00 0.00 O ATOM 620 CB GLU B 21 -6.173 -14.499 -6.300 1.00 0.00 C ATOM 621 CG GLU B 21 -7.568 -15.054 -6.623 1.00 0.00 C ATOM 622 CD GLU B 21 -7.539 -16.586 -6.727 1.00 0.00 C ATOM 623 OE1 GLU B 21 -7.651 -17.271 -5.681 1.00 0.00 O ATOM 624 OE2 GLU B 21 -7.413 -17.121 -7.854 1.00 0.00 O ATOM 0 H GLU B 21 -4.034 -13.359 -6.220 1.00 0.00 H new ATOM 0 HA GLU B 21 -6.547 -12.638 -7.361 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -5.443 -14.961 -6.965 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -5.903 -14.785 -5.283 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -8.272 -14.752 -5.848 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -7.924 -14.629 -7.561 1.00 0.00 H new ATOM 631 N ARG B 22 -6.192 -11.624 -4.346 1.00 0.00 N ATOM 632 CA ARG B 22 -6.822 -10.872 -3.248 1.00 0.00 C ATOM 633 C ARG B 22 -7.721 -9.733 -3.753 1.00 0.00 C ATOM 634 O ARG B 22 -8.801 -9.521 -3.197 1.00 0.00 O ATOM 635 CB ARG B 22 -5.751 -10.290 -2.307 1.00 0.00 C ATOM 636 CG ARG B 22 -4.981 -11.375 -1.536 1.00 0.00 C ATOM 637 CD ARG B 22 -3.909 -10.772 -0.620 1.00 0.00 C ATOM 638 NE ARG B 22 -2.705 -10.358 -1.357 1.00 0.00 N ATOM 639 CZ ARG B 22 -1.590 -9.901 -0.802 1.00 0.00 C ATOM 640 NH1 ARG B 22 -1.516 -9.567 0.468 1.00 0.00 N ATOM 641 NH2 ARG B 22 -0.489 -9.774 -1.501 1.00 0.00 N ATOM 0 H ARG B 22 -5.173 -11.630 -4.296 1.00 0.00 H new ATOM 0 HA ARG B 22 -7.449 -11.581 -2.708 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -5.047 -9.696 -2.889 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -6.227 -9.614 -1.596 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -5.680 -11.962 -0.940 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -4.512 -12.059 -2.243 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -4.325 -9.911 -0.097 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -3.632 -11.503 0.140 1.00 0.00 H new ATOM 0 HE ARG B 22 -2.729 -10.428 -2.374 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -2.337 -9.655 1.067 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -0.638 -9.220 0.854 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -0.480 -10.028 -2.489 1.00 0.00 H new ATOM 0 HH22 ARG B 22 0.359 -9.421 -1.057 1.00 0.00 H new ATOM 655 N GLY B 23 -7.284 -9.000 -4.786 1.00 0.00 N ATOM 656 CA GLY B 23 -7.905 -7.740 -5.226 1.00 0.00 C ATOM 657 C GLY B 23 -7.445 -6.546 -4.384 1.00 0.00 C ATOM 658 O GLY B 23 -6.609 -6.684 -3.490 1.00 0.00 O ATOM 0 H GLY B 23 -6.477 -9.269 -5.349 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -7.659 -7.561 -6.273 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -8.990 -7.830 -5.165 1.00 0.00 H new ATOM 662 N PHE B 24 -7.982 -5.361 -4.685 1.00 0.00 N ATOM 663 CA PHE B 24 -7.476 -4.079 -4.181 1.00 0.00 C ATOM 664 C PHE B 24 -8.506 -2.937 -4.246 1.00 0.00 C ATOM 665 O PHE B 24 -9.527 -3.031 -4.935 1.00 0.00 O ATOM 666 CB PHE B 24 -6.214 -3.704 -4.983 1.00 0.00 C ATOM 667 CG PHE B 24 -6.445 -3.520 -6.474 1.00 0.00 C ATOM 668 CD1 PHE B 24 -6.851 -2.269 -6.978 1.00 0.00 C ATOM 669 CD2 PHE B 24 -6.275 -4.605 -7.353 1.00 0.00 C ATOM 670 CE1 PHE B 24 -7.095 -2.107 -8.353 1.00 0.00 C ATOM 671 CE2 PHE B 24 -6.539 -4.446 -8.725 1.00 0.00 C ATOM 672 CZ PHE B 24 -6.944 -3.199 -9.227 1.00 0.00 C ATOM 0 H PHE B 24 -8.793 -5.262 -5.295 1.00 0.00 H new ATOM 0 HA PHE B 24 -7.248 -4.209 -3.123 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -5.801 -2.781 -4.576 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -5.463 -4.480 -4.838 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -6.975 -1.432 -6.307 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -5.942 -5.560 -6.974 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -7.398 -1.145 -8.738 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -6.430 -5.286 -9.395 1.00 0.00 H new ATOM 0 HZ PHE B 24 -7.139 -3.078 -10.282 1.00 0.00 H new ATOM 682 N PHE B 25 -8.181 -1.830 -3.569 1.00 0.00 N ATOM 683 CA PHE B 25 -8.834 -0.523 -3.685 1.00 0.00 C ATOM 684 C PHE B 25 -7.846 0.590 -3.287 1.00 0.00 C ATOM 685 O PHE B 25 -7.471 0.723 -2.122 1.00 0.00 O ATOM 686 CB PHE B 25 -10.109 -0.487 -2.825 1.00 0.00 C ATOM 687 CG PHE B 25 -10.855 0.829 -2.911 1.00 0.00 C ATOM 688 CD1 PHE B 25 -11.703 1.090 -4.005 1.00 0.00 C ATOM 689 CD2 PHE B 25 -10.700 1.799 -1.902 1.00 0.00 C ATOM 690 CE1 PHE B 25 -12.391 2.315 -4.090 1.00 0.00 C ATOM 691 CE2 PHE B 25 -11.384 3.026 -1.991 1.00 0.00 C ATOM 692 CZ PHE B 25 -12.230 3.284 -3.084 1.00 0.00 C ATOM 0 H PHE B 25 -7.418 -1.822 -2.892 1.00 0.00 H new ATOM 0 HA PHE B 25 -9.132 -0.355 -4.720 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -10.772 -1.293 -3.138 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -9.843 -0.678 -1.785 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -11.826 0.348 -4.780 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -10.055 1.601 -1.058 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -13.043 2.511 -4.928 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -11.259 3.770 -1.219 1.00 0.00 H new ATOM 0 HZ PHE B 25 -12.755 4.225 -3.151 1.00 0.00 H new ATOM 702 N TYR B 26 -7.417 1.387 -4.268 1.00 0.00 N ATOM 703 CA TYR B 26 -6.524 2.536 -4.094 1.00 0.00 C ATOM 704 C TYR B 26 -7.258 3.822 -3.644 1.00 0.00 C ATOM 705 O TYR B 26 -8.463 3.972 -3.861 1.00 0.00 O ATOM 706 CB TYR B 26 -5.782 2.761 -5.423 1.00 0.00 C ATOM 707 CG TYR B 26 -6.665 2.921 -6.656 1.00 0.00 C ATOM 708 CD1 TYR B 26 -7.352 4.129 -6.898 1.00 0.00 C ATOM 709 CD2 TYR B 26 -6.799 1.855 -7.565 1.00 0.00 C ATOM 710 CE1 TYR B 26 -8.165 4.272 -8.038 1.00 0.00 C ATOM 711 CE2 TYR B 26 -7.609 1.990 -8.710 1.00 0.00 C ATOM 712 CZ TYR B 26 -8.297 3.204 -8.951 1.00 0.00 C ATOM 713 OH TYR B 26 -9.079 3.341 -10.059 1.00 0.00 O ATOM 0 H TYR B 26 -7.691 1.245 -5.240 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.824 2.311 -3.289 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -5.162 3.652 -5.325 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -5.108 1.920 -5.588 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -7.253 4.950 -6.203 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -6.277 0.927 -7.384 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -8.688 5.200 -8.214 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -7.705 1.168 -9.404 1.00 0.00 H new ATOM 0 HH TYR B 26 -9.057 2.511 -10.580 1.00 0.00 H new ATOM 723 N THR B 27 -6.507 4.792 -3.097 1.00 0.00 N ATOM 724 CA THR B 27 -6.955 6.188 -2.919 1.00 0.00 C ATOM 725 C THR B 27 -6.547 6.995 -4.164 1.00 0.00 C ATOM 726 O THR B 27 -5.360 6.976 -4.517 1.00 0.00 O ATOM 727 CB THR B 27 -6.394 6.813 -1.636 1.00 0.00 C ATOM 728 OG1 THR B 27 -6.704 5.962 -0.554 1.00 0.00 O ATOM 729 CG2 THR B 27 -7.020 8.179 -1.345 1.00 0.00 C ATOM 0 H THR B 27 -5.558 4.629 -2.761 1.00 0.00 H new ATOM 0 HA THR B 27 -8.040 6.203 -2.811 1.00 0.00 H new ATOM 0 HB THR B 27 -5.319 6.941 -1.766 1.00 0.00 H new ATOM 0 HG1 THR B 27 -6.351 6.346 0.276 1.00 0.00 H new ATOM 0 HG21 THR B 27 -6.595 8.586 -0.428 1.00 0.00 H new ATOM 0 HG22 THR B 27 -6.814 8.857 -2.173 1.00 0.00 H new ATOM 0 HG23 THR B 27 -8.098 8.068 -1.227 1.00 0.00 H new ATOM 737 N PRO B 28 -7.487 7.683 -4.848 1.00 0.00 N ATOM 738 CA PRO B 28 -7.233 8.352 -6.124 1.00 0.00 C ATOM 739 C PRO B 28 -6.438 9.662 -5.946 1.00 0.00 C ATOM 740 O PRO B 28 -5.838 9.914 -4.901 1.00 0.00 O ATOM 741 CB PRO B 28 -8.627 8.543 -6.749 1.00 0.00 C ATOM 742 CG PRO B 28 -9.529 8.720 -5.535 1.00 0.00 C ATOM 743 CD PRO B 28 -8.907 7.768 -4.516 1.00 0.00 C ATOM 0 HA PRO B 28 -6.593 7.766 -6.784 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -8.659 9.413 -7.405 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -8.922 7.681 -7.348 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -9.531 9.750 -5.179 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -10.563 8.457 -5.757 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -9.047 8.139 -3.501 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -9.377 6.786 -4.564 1.00 0.00 H new ATOM 751 N LYS B 29 -6.429 10.512 -6.976 1.00 0.00 N ATOM 752 CA LYS B 29 -5.723 11.805 -7.003 1.00 0.00 C ATOM 753 C LYS B 29 -6.334 12.922 -6.111 1.00 0.00 C ATOM 754 O LYS B 29 -5.952 14.090 -6.232 1.00 0.00 O ATOM 755 CB LYS B 29 -5.545 12.231 -8.477 1.00 0.00 C ATOM 756 CG LYS B 29 -6.862 12.545 -9.202 1.00 0.00 C ATOM 757 CD LYS B 29 -6.590 12.988 -10.646 1.00 0.00 C ATOM 758 CE LYS B 29 -7.878 13.247 -11.444 1.00 0.00 C ATOM 759 NZ LYS B 29 -8.619 14.449 -10.971 1.00 0.00 N ATOM 0 H LYS B 29 -6.928 10.317 -7.844 1.00 0.00 H new ATOM 0 HA LYS B 29 -4.749 11.655 -6.537 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -4.903 13.111 -8.515 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -5.028 11.436 -9.014 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -7.503 11.664 -9.201 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -7.398 13.330 -8.670 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -5.987 13.896 -10.635 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -6.003 12.221 -11.152 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -7.628 13.371 -12.498 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -8.527 12.374 -11.371 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -9.478 14.575 -11.544 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -8.884 14.323 -9.973 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -8.013 15.289 -11.065 1.00 0.00 H new ATOM 773 N THR B 30 -7.283 12.577 -5.235 1.00 0.00 N ATOM 774 CA THR B 30 -7.916 13.464 -4.233 1.00 0.00 C ATOM 775 C THR B 30 -6.951 13.945 -3.138 1.00 0.00 C ATOM 776 O THR B 30 -5.963 13.238 -2.827 1.00 0.00 O ATOM 777 CB THR B 30 -9.128 12.784 -3.583 1.00 0.00 C ATOM 778 OG1 THR B 30 -8.802 11.475 -3.161 1.00 0.00 O ATOM 779 CG2 THR B 30 -10.299 12.691 -4.564 1.00 0.00 C ATOM 780 OXT THR B 30 -7.173 15.058 -2.608 1.00 0.00 O ATOM 0 H THR B 30 -7.654 11.628 -5.197 1.00 0.00 H new ATOM 0 HA THR B 30 -8.237 14.345 -4.788 1.00 0.00 H new ATOM 0 HB THR B 30 -9.414 13.393 -2.725 1.00 0.00 H new ATOM 0 HG1 THR B 30 -9.587 11.059 -2.748 1.00 0.00 H new ATOM 0 HG21 THR B 30 -11.144 12.205 -4.077 1.00 0.00 H new ATOM 0 HG22 THR B 30 -10.589 13.693 -4.880 1.00 0.00 H new ATOM 0 HG23 THR B 30 -9.999 12.109 -5.435 1.00 0.00 H new TER 788 THR B 30