USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 445 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 CYS SG : rot -108:sc= 0.129 USER MOD Set 1.2: A 36 CYS SG : rot 145:sc= -6.27! USER MOD Set 1.3: A 56 CYS SG : rot -43:sc= -2.31! USER MOD Set 2.1: A 6 CYS SG : rot -119:sc= 2.32 USER MOD Set 2.2: A 9 CYS SG : rot -160:sc= -1.86! USER MOD Set 2.3: A 27 HIS : no HE2:sc= -1.57 K(o=-1.6,f=-2.5!) USER MOD Set 2.4: A 30 CYS SG : rot -168:sc= -0.45 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.633 K(o=-0.63,f=-2.6!) USER MOD Single : A 11 GLN : amide:sc= 0.378 X(o=0.38,f=0) USER MOD Single : A 12 ASN : amide:sc= -1.79! C(o=-1.8!,f=-2.8!) USER MOD Single : A 17 TYR OH : rot -123:sc= 0.843 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0.322 K(o=0.32,f=-1.3!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 150:sc= 1.23 (180deg=-0.116) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 0.707 K(o=0.71,f=-2!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 21 N LEU A 3 -15.965 -7.258 -8.201 1.00 0.00 N ATOM 22 CA LEU A 3 -14.964 -7.272 -7.148 1.00 0.00 C ATOM 23 C LEU A 3 -13.593 -6.971 -7.735 1.00 0.00 C ATOM 24 O LEU A 3 -13.398 -7.022 -8.952 1.00 0.00 O ATOM 25 CB LEU A 3 -14.939 -8.620 -6.430 1.00 0.00 C ATOM 26 CG LEU A 3 -16.308 -9.157 -6.009 1.00 0.00 C ATOM 27 CD1 LEU A 3 -16.310 -10.677 -6.008 1.00 0.00 C ATOM 28 CD2 LEU A 3 -16.689 -8.621 -4.637 1.00 0.00 C ATOM 0 HA LEU A 3 -15.224 -6.504 -6.419 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -14.464 -9.353 -7.082 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -14.313 -8.530 -5.542 1.00 0.00 H new ATOM 0 HG LEU A 3 -17.049 -8.815 -6.732 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -17.293 -11.039 -5.706 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -16.081 -11.042 -7.009 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -15.558 -11.041 -5.308 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -17.666 -9.012 -4.352 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -15.945 -8.934 -3.905 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -16.730 -7.532 -4.670 1.00 0.00 H new ATOM 40 N LEU A 4 -12.655 -6.629 -6.878 1.00 0.00 N ATOM 41 CA LEU A 4 -11.322 -6.270 -7.324 1.00 0.00 C ATOM 42 C LEU A 4 -10.341 -7.389 -7.032 1.00 0.00 C ATOM 43 O LEU A 4 -10.625 -8.285 -6.243 1.00 0.00 O ATOM 44 CB LEU A 4 -10.873 -4.975 -6.654 1.00 0.00 C ATOM 45 CG LEU A 4 -11.895 -3.841 -6.701 1.00 0.00 C ATOM 46 CD1 LEU A 4 -12.443 -3.558 -5.311 1.00 0.00 C ATOM 47 CD2 LEU A 4 -11.267 -2.595 -7.301 1.00 0.00 C ATOM 0 H LEU A 4 -12.789 -6.591 -5.868 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.348 -6.113 -8.402 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.633 -5.186 -5.612 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.953 -4.636 -7.130 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.728 -4.145 -7.335 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -13.170 -2.747 -5.364 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.927 -4.454 -4.921 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -11.626 -3.270 -4.649 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.005 -1.793 -7.329 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.418 -2.286 -6.691 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.926 -2.811 -8.314 1.00 0.00 H new ATOM 59 N THR A 5 -9.194 -7.345 -7.678 1.00 0.00 N ATOM 60 CA THR A 5 -8.184 -8.367 -7.487 1.00 0.00 C ATOM 61 C THR A 5 -6.873 -7.752 -7.040 1.00 0.00 C ATOM 62 O THR A 5 -6.366 -6.817 -7.661 1.00 0.00 O ATOM 63 CB THR A 5 -7.950 -9.174 -8.769 1.00 0.00 C ATOM 64 OG1 THR A 5 -8.332 -8.397 -9.915 1.00 0.00 O ATOM 65 CG2 THR A 5 -8.745 -10.466 -8.731 1.00 0.00 C ATOM 0 H THR A 5 -8.937 -6.613 -8.340 1.00 0.00 H new ATOM 0 HA THR A 5 -8.553 -9.039 -6.713 1.00 0.00 H new ATOM 0 HB THR A 5 -6.890 -9.417 -8.840 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.178 -8.919 -10.730 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.569 -11.029 -9.648 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.431 -11.061 -7.874 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.807 -10.237 -8.644 1.00 0.00 H new ATOM 73 N CYS A 6 -6.344 -8.272 -5.949 1.00 0.00 N ATOM 74 CA CYS A 6 -5.105 -7.778 -5.397 1.00 0.00 C ATOM 75 C CYS A 6 -3.927 -8.404 -6.126 1.00 0.00 C ATOM 76 O CYS A 6 -3.958 -9.587 -6.470 1.00 0.00 O ATOM 77 CB CYS A 6 -5.060 -8.069 -3.893 1.00 0.00 C ATOM 78 SG CYS A 6 -3.537 -8.859 -3.287 1.00 0.00 S ATOM 0 H CYS A 6 -6.760 -9.043 -5.426 1.00 0.00 H new ATOM 0 HA CYS A 6 -5.043 -6.698 -5.534 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -5.199 -7.131 -3.356 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.905 -8.709 -3.640 1.00 0.00 H new ATOM 0 HG CYS A 6 -3.826 -10.012 -2.760 1.00 0.00 H new ATOM 83 N GLY A 7 -2.936 -7.588 -6.438 1.00 0.00 N ATOM 84 CA GLY A 7 -1.792 -8.063 -7.186 1.00 0.00 C ATOM 85 C GLY A 7 -0.761 -8.729 -6.301 1.00 0.00 C ATOM 86 O GLY A 7 0.341 -9.040 -6.751 1.00 0.00 O ATOM 0 H GLY A 7 -2.902 -6.600 -6.186 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.126 -8.770 -7.946 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.331 -7.226 -7.710 1.00 0.00 H new ATOM 90 N GLY A 8 -1.100 -8.902 -5.032 1.00 0.00 N ATOM 91 CA GLY A 8 -0.181 -9.500 -4.089 1.00 0.00 C ATOM 92 C GLY A 8 -0.443 -10.975 -3.881 1.00 0.00 C ATOM 93 O GLY A 8 0.487 -11.782 -3.892 1.00 0.00 O ATOM 0 H GLY A 8 -2.002 -8.636 -4.638 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.840 -9.362 -4.445 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.258 -8.982 -3.133 1.00 0.00 H new ATOM 97 N CYS A 9 -1.704 -11.331 -3.683 1.00 0.00 N ATOM 98 CA CYS A 9 -2.069 -12.723 -3.466 1.00 0.00 C ATOM 99 C CYS A 9 -3.013 -13.217 -4.561 1.00 0.00 C ATOM 100 O CYS A 9 -3.095 -14.419 -4.825 1.00 0.00 O ATOM 101 CB CYS A 9 -2.701 -12.901 -2.085 1.00 0.00 C ATOM 102 SG CYS A 9 -4.363 -12.180 -1.910 1.00 0.00 S ATOM 0 H CYS A 9 -2.488 -10.679 -3.668 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.161 -13.324 -3.509 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.757 -13.966 -1.861 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.045 -12.452 -1.340 1.00 0.00 H new ATOM 0 HG CYS A 9 -4.630 -12.005 -0.650 1.00 0.00 H new ATOM 107 N GLN A 10 -3.679 -12.268 -5.220 1.00 0.00 N ATOM 108 CA GLN A 10 -4.572 -12.555 -6.342 1.00 0.00 C ATOM 109 C GLN A 10 -5.752 -13.437 -5.935 1.00 0.00 C ATOM 110 O GLN A 10 -6.335 -14.125 -6.772 1.00 0.00 O ATOM 111 CB GLN A 10 -3.799 -13.213 -7.485 1.00 0.00 C ATOM 112 CG GLN A 10 -3.198 -12.219 -8.463 1.00 0.00 C ATOM 113 CD GLN A 10 -1.725 -11.972 -8.213 1.00 0.00 C ATOM 114 OE1 GLN A 10 -1.076 -12.692 -7.452 1.00 0.00 O ATOM 115 NE2 GLN A 10 -1.186 -10.948 -8.849 1.00 0.00 N ATOM 0 H GLN A 10 -3.614 -11.276 -4.990 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.977 -11.601 -6.678 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.001 -13.827 -7.067 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.467 -13.884 -8.026 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.333 -12.589 -9.480 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.738 -11.275 -8.393 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -1.757 -10.376 -9.471 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.198 -10.729 -8.719 1.00 0.00 H new ATOM 124 N GLN A 11 -6.117 -13.403 -4.659 1.00 0.00 N ATOM 125 CA GLN A 11 -7.226 -14.212 -4.168 1.00 0.00 C ATOM 126 C GLN A 11 -8.546 -13.438 -4.225 1.00 0.00 C ATOM 127 O GLN A 11 -9.542 -13.859 -3.636 1.00 0.00 O ATOM 128 CB GLN A 11 -6.937 -14.699 -2.742 1.00 0.00 C ATOM 129 CG GLN A 11 -7.270 -13.694 -1.647 1.00 0.00 C ATOM 130 CD GLN A 11 -8.201 -14.268 -0.597 1.00 0.00 C ATOM 131 OE1 GLN A 11 -7.760 -14.873 0.381 1.00 0.00 O ATOM 132 NE2 GLN A 11 -9.493 -14.087 -0.796 1.00 0.00 N ATOM 0 H GLN A 11 -5.664 -12.827 -3.949 1.00 0.00 H new ATOM 0 HA GLN A 11 -7.328 -15.081 -4.818 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -7.504 -15.613 -2.563 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.881 -14.960 -2.668 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.348 -13.363 -1.169 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.731 -12.813 -2.094 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -9.816 -13.580 -1.620 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -10.169 -14.454 -0.126 1.00 0.00 H new ATOM 141 N ASN A 12 -8.539 -12.310 -4.946 1.00 0.00 N ATOM 142 CA ASN A 12 -9.721 -11.454 -5.093 1.00 0.00 C ATOM 143 C ASN A 12 -10.025 -10.718 -3.790 1.00 0.00 C ATOM 144 O ASN A 12 -10.117 -11.322 -2.719 1.00 0.00 O ATOM 145 CB ASN A 12 -10.946 -12.264 -5.546 1.00 0.00 C ATOM 146 CG ASN A 12 -12.179 -11.402 -5.750 1.00 0.00 C ATOM 147 OD1 ASN A 12 -12.310 -10.719 -6.762 1.00 0.00 O ATOM 148 ND2 ASN A 12 -13.092 -11.433 -4.793 1.00 0.00 N ATOM 0 H ASN A 12 -7.717 -11.967 -5.442 1.00 0.00 H new ATOM 0 HA ASN A 12 -9.498 -10.717 -5.865 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -10.711 -12.780 -6.477 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -11.164 -13.031 -4.803 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -13.942 -10.876 -4.881 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -12.946 -12.014 -3.967 1.00 0.00 H new ATOM 155 N ILE A 13 -10.182 -9.410 -3.885 1.00 0.00 N ATOM 156 CA ILE A 13 -10.488 -8.590 -2.727 1.00 0.00 C ATOM 157 C ILE A 13 -11.981 -8.630 -2.422 1.00 0.00 C ATOM 158 O ILE A 13 -12.787 -8.007 -3.110 1.00 0.00 O ATOM 159 CB ILE A 13 -10.038 -7.130 -2.926 1.00 0.00 C ATOM 160 CG1 ILE A 13 -8.619 -7.081 -3.494 1.00 0.00 C ATOM 161 CG2 ILE A 13 -10.105 -6.370 -1.610 1.00 0.00 C ATOM 162 CD1 ILE A 13 -8.353 -5.877 -4.370 1.00 0.00 C ATOM 0 H ILE A 13 -10.102 -8.890 -4.759 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.935 -9.004 -1.884 1.00 0.00 H new ATOM 0 HB ILE A 13 -10.714 -6.655 -3.637 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.907 -7.082 -2.669 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.438 -7.987 -4.073 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -9.784 -5.340 -1.768 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.129 -6.378 -1.237 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -9.450 -6.847 -0.881 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.327 -5.912 -4.735 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -9.040 -5.884 -5.216 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.501 -4.966 -3.791 1.00 0.00 H new ATOM 174 N GLY A 14 -12.333 -9.388 -1.397 1.00 0.00 N ATOM 175 CA GLY A 14 -13.715 -9.504 -0.992 1.00 0.00 C ATOM 176 C GLY A 14 -13.959 -8.805 0.324 1.00 0.00 C ATOM 177 O GLY A 14 -15.001 -8.983 0.955 1.00 0.00 O ATOM 0 H GLY A 14 -11.678 -9.930 -0.833 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -14.359 -9.075 -1.760 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -13.983 -10.557 -0.903 1.00 0.00 H new ATOM 181 N ASP A 15 -12.980 -8.011 0.735 1.00 0.00 N ATOM 182 CA ASP A 15 -13.056 -7.259 1.985 1.00 0.00 C ATOM 183 C ASP A 15 -14.037 -6.104 1.855 1.00 0.00 C ATOM 184 O ASP A 15 -14.709 -5.953 0.834 1.00 0.00 O ATOM 185 CB ASP A 15 -11.681 -6.707 2.371 1.00 0.00 C ATOM 186 CG ASP A 15 -10.851 -7.691 3.169 1.00 0.00 C ATOM 187 OD1 ASP A 15 -10.506 -8.765 2.631 1.00 0.00 O ATOM 188 OD2 ASP A 15 -10.549 -7.401 4.344 1.00 0.00 O ATOM 0 H ASP A 15 -12.114 -7.869 0.216 1.00 0.00 H new ATOM 0 HA ASP A 15 -13.400 -7.941 2.762 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.139 -6.433 1.466 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -11.812 -5.795 2.953 1.00 0.00 H new ATOM 193 N ARG A 16 -14.084 -5.258 2.867 1.00 0.00 N ATOM 194 CA ARG A 16 -14.920 -4.070 2.811 1.00 0.00 C ATOM 195 C ARG A 16 -14.089 -2.871 2.363 1.00 0.00 C ATOM 196 O ARG A 16 -14.613 -1.906 1.806 1.00 0.00 O ATOM 197 CB ARG A 16 -15.578 -3.792 4.169 1.00 0.00 C ATOM 198 CG ARG A 16 -14.596 -3.394 5.255 1.00 0.00 C ATOM 199 CD ARG A 16 -14.591 -1.889 5.475 1.00 0.00 C ATOM 200 NE ARG A 16 -14.293 -1.527 6.859 1.00 0.00 N ATOM 201 CZ ARG A 16 -13.885 -0.315 7.235 1.00 0.00 C ATOM 202 NH1 ARG A 16 -13.680 0.630 6.324 1.00 0.00 N ATOM 203 NH2 ARG A 16 -13.676 -0.051 8.517 1.00 0.00 N ATOM 0 H ARG A 16 -13.557 -5.369 3.733 1.00 0.00 H new ATOM 0 HA ARG A 16 -15.715 -4.242 2.086 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -16.315 -2.998 4.049 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -16.119 -4.683 4.489 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -14.856 -3.898 6.186 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -13.595 -3.727 4.982 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -13.853 -1.431 4.816 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -15.563 -1.481 5.197 1.00 0.00 H new ATOM 0 HE ARG A 16 -14.403 -2.242 7.578 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -13.835 0.428 5.336 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.368 1.557 6.612 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -13.827 -0.776 9.218 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -13.364 0.877 8.802 1.00 0.00 H new ATOM 217 N TYR A 17 -12.788 -2.948 2.604 1.00 0.00 N ATOM 218 CA TYR A 17 -11.870 -1.875 2.265 1.00 0.00 C ATOM 219 C TYR A 17 -10.565 -2.468 1.759 1.00 0.00 C ATOM 220 O TYR A 17 -10.233 -3.604 2.096 1.00 0.00 O ATOM 221 CB TYR A 17 -11.611 -1.015 3.502 1.00 0.00 C ATOM 222 CG TYR A 17 -11.571 0.465 3.224 1.00 0.00 C ATOM 223 CD1 TYR A 17 -12.731 1.163 2.934 1.00 0.00 C ATOM 224 CD2 TYR A 17 -10.376 1.166 3.255 1.00 0.00 C ATOM 225 CE1 TYR A 17 -12.701 2.518 2.682 1.00 0.00 C ATOM 226 CE2 TYR A 17 -10.340 2.525 3.006 1.00 0.00 C ATOM 227 CZ TYR A 17 -11.507 3.192 2.718 1.00 0.00 C ATOM 228 OH TYR A 17 -11.484 4.543 2.465 1.00 0.00 O ATOM 0 H TYR A 17 -12.342 -3.755 3.039 1.00 0.00 H new ATOM 0 HA TYR A 17 -12.306 -1.252 1.484 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -12.388 -1.215 4.239 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -10.663 -1.316 3.949 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -13.674 0.638 2.905 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -9.458 0.642 3.477 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -13.615 3.047 2.457 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.402 3.059 3.037 1.00 0.00 H new ATOM 0 HH TYR A 17 -10.881 4.725 1.714 1.00 0.00 H new ATOM 238 N PHE A 18 -9.842 -1.723 0.937 1.00 0.00 N ATOM 239 CA PHE A 18 -8.589 -2.215 0.387 1.00 0.00 C ATOM 240 C PHE A 18 -7.666 -1.074 -0.010 1.00 0.00 C ATOM 241 O PHE A 18 -8.034 0.098 0.054 1.00 0.00 O ATOM 242 CB PHE A 18 -8.851 -3.135 -0.814 1.00 0.00 C ATOM 243 CG PHE A 18 -9.241 -2.426 -2.084 1.00 0.00 C ATOM 244 CD1 PHE A 18 -10.440 -1.737 -2.183 1.00 0.00 C ATOM 245 CD2 PHE A 18 -8.410 -2.468 -3.191 1.00 0.00 C ATOM 246 CE1 PHE A 18 -10.795 -1.104 -3.355 1.00 0.00 C ATOM 247 CE2 PHE A 18 -8.762 -1.837 -4.365 1.00 0.00 C ATOM 248 CZ PHE A 18 -9.955 -1.153 -4.448 1.00 0.00 C ATOM 0 H PHE A 18 -10.099 -0.782 0.638 1.00 0.00 H new ATOM 0 HA PHE A 18 -8.090 -2.790 1.167 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -7.953 -3.723 -1.005 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -9.642 -3.837 -0.550 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -11.104 -1.696 -1.332 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.473 -3.002 -3.134 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -11.731 -0.569 -3.417 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -8.103 -1.879 -5.219 1.00 0.00 H new ATOM 0 HZ PHE A 18 -10.232 -0.657 -5.366 1.00 0.00 H new ATOM 258 N LEU A 19 -6.484 -1.440 -0.469 1.00 0.00 N ATOM 259 CA LEU A 19 -5.495 -0.483 -0.934 1.00 0.00 C ATOM 260 C LEU A 19 -5.253 -0.698 -2.421 1.00 0.00 C ATOM 261 O LEU A 19 -5.311 -1.823 -2.889 1.00 0.00 O ATOM 262 CB LEU A 19 -4.179 -0.679 -0.172 1.00 0.00 C ATOM 263 CG LEU A 19 -3.926 0.278 0.995 1.00 0.00 C ATOM 264 CD1 LEU A 19 -2.893 -0.307 1.945 1.00 0.00 C ATOM 265 CD2 LEU A 19 -3.465 1.633 0.476 1.00 0.00 C ATOM 0 H LEU A 19 -6.181 -2.412 -0.530 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.862 0.528 -0.760 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.153 -1.700 0.210 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.356 -0.582 -0.880 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.859 0.415 1.542 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.724 0.385 2.770 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.256 -1.257 2.337 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.957 -0.469 1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.289 2.304 1.317 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.542 1.511 -0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.234 2.056 -0.170 1.00 0.00 H new ATOM 277 N LYS A 20 -4.975 0.364 -3.159 1.00 0.00 N ATOM 278 CA LYS A 20 -4.677 0.241 -4.582 1.00 0.00 C ATOM 279 C LYS A 20 -3.978 1.507 -5.064 1.00 0.00 C ATOM 280 O LYS A 20 -4.290 2.594 -4.567 1.00 0.00 O ATOM 281 CB LYS A 20 -5.969 -0.038 -5.379 1.00 0.00 C ATOM 282 CG LYS A 20 -6.250 0.916 -6.534 1.00 0.00 C ATOM 283 CD LYS A 20 -7.241 1.999 -6.140 1.00 0.00 C ATOM 284 CE LYS A 20 -8.673 1.570 -6.410 1.00 0.00 C ATOM 285 NZ LYS A 20 -9.134 1.975 -7.764 1.00 0.00 N ATOM 0 H LYS A 20 -4.949 1.319 -2.801 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.007 -0.603 -4.746 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.919 -1.053 -5.774 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.813 -0.005 -4.691 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.318 1.377 -6.860 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.642 0.355 -7.382 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.124 2.233 -5.082 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.023 2.912 -6.694 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.751 0.487 -6.310 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.330 2.008 -5.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.116 1.662 -7.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.085 3.010 -7.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.524 1.537 -8.484 1.00 0.00 H new ATOM 299 N ALA A 21 -3.052 1.371 -6.028 1.00 0.00 N ATOM 300 CA ALA A 21 -2.339 2.529 -6.589 1.00 0.00 C ATOM 301 C ALA A 21 -1.189 2.105 -7.488 1.00 0.00 C ATOM 302 O ALA A 21 -0.959 2.714 -8.531 1.00 0.00 O ATOM 303 CB ALA A 21 -1.787 3.426 -5.491 1.00 0.00 C ATOM 0 H ALA A 21 -2.781 0.475 -6.433 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.072 3.079 -7.180 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.266 4.272 -5.940 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.607 3.791 -4.873 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.092 2.858 -4.873 1.00 0.00 H new ATOM 309 N ILE A 22 -0.379 1.170 -6.985 1.00 0.00 N ATOM 310 CA ILE A 22 0.870 0.766 -7.634 1.00 0.00 C ATOM 311 C ILE A 22 0.708 0.578 -9.139 1.00 0.00 C ATOM 312 O ILE A 22 1.504 1.087 -9.927 1.00 0.00 O ATOM 313 CB ILE A 22 1.409 -0.540 -7.009 1.00 0.00 C ATOM 314 CG1 ILE A 22 1.949 -0.262 -5.601 1.00 0.00 C ATOM 315 CG2 ILE A 22 2.485 -1.154 -7.888 1.00 0.00 C ATOM 316 CD1 ILE A 22 2.701 -1.423 -4.986 1.00 0.00 C ATOM 0 H ILE A 22 -0.571 0.672 -6.116 1.00 0.00 H new ATOM 0 HA ILE A 22 1.582 1.575 -7.472 1.00 0.00 H new ATOM 0 HB ILE A 22 0.590 -1.256 -6.934 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.610 0.604 -5.642 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.116 0.003 -4.950 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.850 -2.072 -7.428 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.068 -1.380 -8.869 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.310 -0.450 -7.998 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.050 -1.145 -3.991 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.039 -2.286 -4.910 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.556 -1.675 -5.613 1.00 0.00 H new ATOM 328 N ASP A 23 -0.354 -0.114 -9.515 1.00 0.00 N ATOM 329 CA ASP A 23 -0.664 -0.383 -10.913 1.00 0.00 C ATOM 330 C ASP A 23 -1.923 -1.214 -10.975 1.00 0.00 C ATOM 331 O ASP A 23 -2.657 -1.215 -11.958 1.00 0.00 O ATOM 332 CB ASP A 23 0.487 -1.136 -11.586 1.00 0.00 C ATOM 333 CG ASP A 23 0.237 -1.404 -13.054 1.00 0.00 C ATOM 334 OD1 ASP A 23 -0.066 -0.447 -13.794 1.00 0.00 O ATOM 335 OD2 ASP A 23 0.359 -2.573 -13.479 1.00 0.00 O ATOM 0 H ASP A 23 -1.029 -0.507 -8.859 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.808 0.560 -11.440 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.405 -0.558 -11.479 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.645 -2.083 -11.071 1.00 0.00 H new ATOM 340 N GLN A 24 -2.183 -1.880 -9.869 1.00 0.00 N ATOM 341 CA GLN A 24 -3.351 -2.715 -9.729 1.00 0.00 C ATOM 342 C GLN A 24 -3.975 -2.484 -8.368 1.00 0.00 C ATOM 343 O GLN A 24 -3.534 -1.610 -7.614 1.00 0.00 O ATOM 344 CB GLN A 24 -2.968 -4.186 -9.897 1.00 0.00 C ATOM 345 CG GLN A 24 -1.768 -4.608 -9.061 1.00 0.00 C ATOM 346 CD GLN A 24 -0.532 -4.859 -9.903 1.00 0.00 C ATOM 347 OE1 GLN A 24 -0.628 -5.294 -11.050 1.00 0.00 O ATOM 348 NE2 GLN A 24 0.637 -4.594 -9.341 1.00 0.00 N ATOM 0 H GLN A 24 -1.587 -1.855 -9.042 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.075 -2.457 -10.502 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.823 -4.807 -9.628 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -2.752 -4.378 -10.948 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -1.551 -3.833 -8.326 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.016 -5.513 -8.507 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.675 -4.234 -8.387 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.500 -4.750 -9.862 1.00 0.00 H new ATOM 357 N TYR A 25 -4.927 -3.327 -8.020 1.00 0.00 N ATOM 358 CA TYR A 25 -5.548 -3.269 -6.715 1.00 0.00 C ATOM 359 C TYR A 25 -4.808 -4.194 -5.765 1.00 0.00 C ATOM 360 O TYR A 25 -4.025 -5.038 -6.203 1.00 0.00 O ATOM 361 CB TYR A 25 -7.024 -3.656 -6.808 1.00 0.00 C ATOM 362 CG TYR A 25 -7.697 -3.170 -8.070 1.00 0.00 C ATOM 363 CD1 TYR A 25 -7.648 -1.829 -8.434 1.00 0.00 C ATOM 364 CD2 TYR A 25 -8.376 -4.052 -8.896 1.00 0.00 C ATOM 365 CE1 TYR A 25 -8.258 -1.383 -9.589 1.00 0.00 C ATOM 366 CE2 TYR A 25 -8.989 -3.614 -10.054 1.00 0.00 C ATOM 367 CZ TYR A 25 -8.928 -2.278 -10.395 1.00 0.00 C ATOM 368 OH TYR A 25 -9.536 -1.836 -11.547 1.00 0.00 O ATOM 0 H TYR A 25 -5.288 -4.063 -8.627 1.00 0.00 H new ATOM 0 HA TYR A 25 -5.493 -2.249 -6.334 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -7.111 -4.741 -6.754 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.552 -3.251 -5.945 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.125 -1.126 -7.803 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -8.427 -5.098 -8.630 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.211 -0.339 -9.860 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.513 -4.313 -10.689 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.964 -2.591 -12.002 1.00 0.00 H new ATOM 378 N TRP A 26 -4.955 -3.949 -4.478 1.00 0.00 N ATOM 379 CA TRP A 26 -4.225 -4.697 -3.473 1.00 0.00 C ATOM 380 C TRP A 26 -5.117 -5.017 -2.290 1.00 0.00 C ATOM 381 O TRP A 26 -6.286 -4.634 -2.248 1.00 0.00 O ATOM 382 CB TRP A 26 -3.012 -3.895 -2.982 1.00 0.00 C ATOM 383 CG TRP A 26 -2.011 -3.592 -4.050 1.00 0.00 C ATOM 384 CD1 TRP A 26 -1.946 -2.468 -4.822 1.00 0.00 C ATOM 385 CD2 TRP A 26 -0.925 -4.423 -4.457 1.00 0.00 C ATOM 386 NE1 TRP A 26 -0.885 -2.554 -5.690 1.00 0.00 N ATOM 387 CE2 TRP A 26 -0.242 -3.747 -5.486 1.00 0.00 C ATOM 388 CE3 TRP A 26 -0.464 -5.675 -4.052 1.00 0.00 C ATOM 389 CZ2 TRP A 26 0.876 -4.285 -6.111 1.00 0.00 C ATOM 390 CZ3 TRP A 26 0.648 -6.207 -4.673 1.00 0.00 C ATOM 391 CH2 TRP A 26 1.307 -5.514 -5.695 1.00 0.00 C ATOM 0 H TRP A 26 -5.577 -3.234 -4.102 1.00 0.00 H new ATOM 0 HA TRP A 26 -3.886 -5.626 -3.931 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -3.360 -2.958 -2.548 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -2.520 -4.452 -2.184 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -2.629 -1.634 -4.759 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -0.619 -1.846 -6.374 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -0.968 -6.219 -3.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 1.387 -3.751 -6.898 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 1.016 -7.175 -4.365 1.00 0.00 H new ATOM 0 HH2 TRP A 26 2.172 -5.959 -6.164 1.00 0.00 H new ATOM 402 N HIS A 27 -4.506 -5.570 -1.266 1.00 0.00 N ATOM 403 CA HIS A 27 -5.179 -5.796 -0.004 1.00 0.00 C ATOM 404 C HIS A 27 -4.561 -4.876 1.037 1.00 0.00 C ATOM 405 O HIS A 27 -3.413 -4.457 0.883 1.00 0.00 O ATOM 406 CB HIS A 27 -5.028 -7.251 0.443 1.00 0.00 C ATOM 407 CG HIS A 27 -6.133 -8.152 0.004 1.00 0.00 C ATOM 408 ND1 HIS A 27 -5.891 -9.289 -0.728 1.00 0.00 N ATOM 409 CD2 HIS A 27 -7.465 -8.061 0.240 1.00 0.00 C ATOM 410 CE1 HIS A 27 -7.062 -9.862 -0.921 1.00 0.00 C ATOM 411 NE2 HIS A 27 -8.054 -9.155 -0.350 1.00 0.00 N ATOM 0 H HIS A 27 -3.533 -5.875 -1.283 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.243 -5.588 -0.119 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.085 -7.640 0.058 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.964 -7.279 1.531 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -4.985 -9.623 -1.057 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.968 -7.278 0.788 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -7.207 -10.782 -1.468 1.00 0.00 H new ATOM 419 N GLU A 28 -5.291 -4.606 2.104 1.00 0.00 N ATOM 420 CA GLU A 28 -4.799 -3.768 3.174 1.00 0.00 C ATOM 421 C GLU A 28 -3.519 -4.343 3.781 1.00 0.00 C ATOM 422 O GLU A 28 -2.529 -3.636 3.956 1.00 0.00 O ATOM 423 CB GLU A 28 -5.869 -3.664 4.250 1.00 0.00 C ATOM 424 CG GLU A 28 -7.229 -3.244 3.727 1.00 0.00 C ATOM 425 CD GLU A 28 -7.764 -2.033 4.454 1.00 0.00 C ATOM 426 OE1 GLU A 28 -7.083 -0.991 4.449 1.00 0.00 O ATOM 427 OE2 GLU A 28 -8.855 -2.122 5.059 1.00 0.00 O ATOM 0 H GLU A 28 -6.236 -4.961 2.250 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.569 -2.782 2.769 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.964 -4.629 4.748 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.544 -2.947 5.004 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.156 -3.025 2.662 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.931 -4.071 3.835 1.00 0.00 H new ATOM 434 N ASP A 29 -3.557 -5.626 4.118 1.00 0.00 N ATOM 435 CA ASP A 29 -2.425 -6.279 4.766 1.00 0.00 C ATOM 436 C ASP A 29 -1.591 -7.079 3.776 1.00 0.00 C ATOM 437 O ASP A 29 -0.647 -7.767 4.162 1.00 0.00 O ATOM 438 CB ASP A 29 -2.908 -7.197 5.887 1.00 0.00 C ATOM 439 CG ASP A 29 -2.140 -6.990 7.178 1.00 0.00 C ATOM 440 OD1 ASP A 29 -1.030 -7.545 7.317 1.00 0.00 O ATOM 441 OD2 ASP A 29 -2.649 -6.276 8.069 1.00 0.00 O ATOM 0 H ASP A 29 -4.358 -6.235 3.954 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.795 -5.493 5.183 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.968 -7.019 6.066 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.808 -8.235 5.571 1.00 0.00 H new ATOM 446 N CYS A 30 -1.895 -6.931 2.497 1.00 0.00 N ATOM 447 CA CYS A 30 -1.109 -7.576 1.454 1.00 0.00 C ATOM 448 C CYS A 30 0.005 -6.652 0.996 1.00 0.00 C ATOM 449 O CYS A 30 1.108 -7.098 0.673 1.00 0.00 O ATOM 450 CB CYS A 30 -1.986 -7.952 0.269 1.00 0.00 C ATOM 451 SG CYS A 30 -2.468 -9.712 0.233 1.00 0.00 S ATOM 0 H CYS A 30 -2.677 -6.372 2.155 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.676 -8.487 1.867 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.887 -7.339 0.288 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.456 -7.712 -0.653 1.00 0.00 H new ATOM 0 HG CYS A 30 -2.994 -9.994 -0.922 1.00 0.00 H new ATOM 456 N LEU A 31 -0.294 -5.368 0.981 1.00 0.00 N ATOM 457 CA LEU A 31 0.677 -4.353 0.605 1.00 0.00 C ATOM 458 C LEU A 31 1.705 -4.150 1.719 1.00 0.00 C ATOM 459 O LEU A 31 1.735 -3.110 2.380 1.00 0.00 O ATOM 460 CB LEU A 31 -0.036 -3.034 0.283 1.00 0.00 C ATOM 461 CG LEU A 31 0.689 -2.124 -0.713 1.00 0.00 C ATOM 462 CD1 LEU A 31 1.175 -2.922 -1.911 1.00 0.00 C ATOM 463 CD2 LEU A 31 -0.224 -0.991 -1.159 1.00 0.00 C ATOM 0 H LEU A 31 -1.212 -4.998 1.227 1.00 0.00 H new ATOM 0 HA LEU A 31 1.205 -4.691 -0.286 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.026 -3.262 -0.113 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.183 -2.483 1.212 1.00 0.00 H new ATOM 0 HG LEU A 31 1.557 -1.692 -0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.687 -2.258 -2.607 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.864 -3.698 -1.576 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.323 -3.384 -2.410 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.306 -0.353 -1.866 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.111 -1.406 -1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.522 -0.401 -0.292 1.00 0.00 H new ATOM 475 N SER A 32 2.560 -5.142 1.905 1.00 0.00 N ATOM 476 CA SER A 32 3.609 -5.075 2.906 1.00 0.00 C ATOM 477 C SER A 32 4.972 -5.248 2.251 1.00 0.00 C ATOM 478 O SER A 32 5.064 -5.731 1.118 1.00 0.00 O ATOM 479 CB SER A 32 3.395 -6.150 3.972 1.00 0.00 C ATOM 480 OG SER A 32 2.052 -6.605 3.975 1.00 0.00 O ATOM 0 H SER A 32 2.546 -6.010 1.370 1.00 0.00 H new ATOM 0 HA SER A 32 3.572 -4.097 3.385 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.066 -6.989 3.787 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.649 -5.749 4.953 1.00 0.00 H new ATOM 0 HG SER A 32 1.941 -7.293 4.664 1.00 0.00 H new ATOM 486 N CYS A 33 6.009 -4.784 2.939 1.00 0.00 N ATOM 487 CA CYS A 33 7.372 -4.825 2.443 1.00 0.00 C ATOM 488 C CYS A 33 7.804 -6.236 2.044 1.00 0.00 C ATOM 489 O CYS A 33 7.213 -7.229 2.472 1.00 0.00 O ATOM 490 CB CYS A 33 8.297 -4.302 3.532 1.00 0.00 C ATOM 491 SG CYS A 33 8.597 -2.515 3.468 1.00 0.00 S ATOM 0 H CYS A 33 5.922 -4.366 3.865 1.00 0.00 H new ATOM 0 HA CYS A 33 7.427 -4.206 1.548 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.871 -4.552 4.504 1.00 0.00 H new ATOM 0 HB3 CYS A 33 9.253 -4.821 3.460 1.00 0.00 H new ATOM 0 HG CYS A 33 9.812 -2.293 3.061 1.00 0.00 H new ATOM 496 N ASP A 34 8.888 -6.311 1.286 1.00 0.00 N ATOM 497 CA ASP A 34 9.438 -7.591 0.867 1.00 0.00 C ATOM 498 C ASP A 34 10.375 -8.147 1.928 1.00 0.00 C ATOM 499 O ASP A 34 10.168 -9.246 2.439 1.00 0.00 O ATOM 500 CB ASP A 34 10.177 -7.453 -0.464 1.00 0.00 C ATOM 501 CG ASP A 34 9.973 -8.658 -1.357 1.00 0.00 C ATOM 502 OD1 ASP A 34 8.828 -8.899 -1.786 1.00 0.00 O ATOM 503 OD2 ASP A 34 10.958 -9.373 -1.632 1.00 0.00 O ATOM 0 H ASP A 34 9.405 -5.499 0.948 1.00 0.00 H new ATOM 0 HA ASP A 34 8.609 -8.286 0.735 1.00 0.00 H new ATOM 0 HB2 ASP A 34 9.830 -6.558 -0.980 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.242 -7.319 -0.274 1.00 0.00 H new ATOM 508 N LEU A 35 11.397 -7.380 2.267 1.00 0.00 N ATOM 509 CA LEU A 35 12.358 -7.801 3.276 1.00 0.00 C ATOM 510 C LEU A 35 11.837 -7.499 4.679 1.00 0.00 C ATOM 511 O LEU A 35 11.668 -8.409 5.496 1.00 0.00 O ATOM 512 CB LEU A 35 13.703 -7.112 3.050 1.00 0.00 C ATOM 513 CG LEU A 35 14.806 -7.513 4.024 1.00 0.00 C ATOM 514 CD1 LEU A 35 15.681 -8.595 3.414 1.00 0.00 C ATOM 515 CD2 LEU A 35 15.645 -6.305 4.409 1.00 0.00 C ATOM 0 H LEU A 35 11.584 -6.464 1.860 1.00 0.00 H new ATOM 0 HA LEU A 35 12.497 -8.878 3.187 1.00 0.00 H new ATOM 0 HB2 LEU A 35 14.039 -7.328 2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.557 -6.034 3.114 1.00 0.00 H new ATOM 0 HG LEU A 35 14.342 -7.909 4.927 1.00 0.00 H new ATOM 0 HD11 LEU A 35 16.464 -8.871 4.120 1.00 0.00 H new ATOM 0 HD12 LEU A 35 15.072 -9.470 3.187 1.00 0.00 H new ATOM 0 HD13 LEU A 35 16.136 -8.221 2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 35 16.426 -6.611 5.104 1.00 0.00 H new ATOM 0 HD22 LEU A 35 16.101 -5.879 3.515 1.00 0.00 H new ATOM 0 HD23 LEU A 35 15.010 -5.557 4.884 1.00 0.00 H new ATOM 527 N CYS A 36 11.591 -6.220 4.950 1.00 0.00 N ATOM 528 CA CYS A 36 11.082 -5.781 6.245 1.00 0.00 C ATOM 529 C CYS A 36 9.812 -6.539 6.622 1.00 0.00 C ATOM 530 O CYS A 36 9.770 -7.250 7.628 1.00 0.00 O ATOM 531 CB CYS A 36 10.810 -4.278 6.192 1.00 0.00 C ATOM 532 SG CYS A 36 12.015 -3.361 5.181 1.00 0.00 S ATOM 0 H CYS A 36 11.738 -5.463 4.282 1.00 0.00 H new ATOM 0 HA CYS A 36 11.830 -5.991 7.009 1.00 0.00 H new ATOM 0 HB2 CYS A 36 9.810 -4.111 5.792 1.00 0.00 H new ATOM 0 HB3 CYS A 36 10.819 -3.879 7.206 1.00 0.00 H new ATOM 0 HG CYS A 36 11.417 -2.375 4.581 1.00 0.00 H new ATOM 537 N GLY A 37 8.820 -6.457 5.756 1.00 0.00 N ATOM 538 CA GLY A 37 7.597 -7.205 5.956 1.00 0.00 C ATOM 539 C GLY A 37 6.613 -6.494 6.859 1.00 0.00 C ATOM 540 O GLY A 37 5.657 -7.099 7.336 1.00 0.00 O ATOM 0 H GLY A 37 8.838 -5.883 4.913 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.128 -7.390 4.990 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.838 -8.178 6.384 1.00 0.00 H new ATOM 710 N TYR A 48 6.646 3.967 -3.219 1.00 0.00 N ATOM 711 CA TYR A 48 7.526 3.461 -4.258 1.00 0.00 C ATOM 712 C TYR A 48 7.486 1.936 -4.256 1.00 0.00 C ATOM 713 O TYR A 48 7.011 1.331 -3.296 1.00 0.00 O ATOM 714 CB TYR A 48 8.961 3.963 -4.047 1.00 0.00 C ATOM 715 CG TYR A 48 9.305 4.212 -2.597 1.00 0.00 C ATOM 716 CD1 TYR A 48 8.954 3.292 -1.628 1.00 0.00 C ATOM 717 CD2 TYR A 48 9.967 5.366 -2.201 1.00 0.00 C ATOM 718 CE1 TYR A 48 9.247 3.503 -0.299 1.00 0.00 C ATOM 719 CE2 TYR A 48 10.269 5.586 -0.872 1.00 0.00 C ATOM 720 CZ TYR A 48 9.905 4.649 0.074 1.00 0.00 C ATOM 721 OH TYR A 48 10.209 4.855 1.398 1.00 0.00 O ATOM 0 HA TYR A 48 7.183 3.828 -5.225 1.00 0.00 H new ATOM 0 HB2 TYR A 48 9.657 3.232 -4.457 1.00 0.00 H new ATOM 0 HB3 TYR A 48 9.101 4.886 -4.609 1.00 0.00 H new ATOM 0 HD1 TYR A 48 8.439 2.388 -1.919 1.00 0.00 H new ATOM 0 HD2 TYR A 48 10.249 6.100 -2.941 1.00 0.00 H new ATOM 0 HE1 TYR A 48 8.962 2.773 0.444 1.00 0.00 H new ATOM 0 HE2 TYR A 48 10.787 6.486 -0.574 1.00 0.00 H new ATOM 0 HH TYR A 48 10.675 5.711 1.497 1.00 0.00 H new ATOM 731 N TYR A 49 7.933 1.318 -5.337 1.00 0.00 N ATOM 732 CA TYR A 49 7.923 -0.133 -5.435 1.00 0.00 C ATOM 733 C TYR A 49 8.960 -0.606 -6.449 1.00 0.00 C ATOM 734 O TYR A 49 9.497 0.192 -7.222 1.00 0.00 O ATOM 735 CB TYR A 49 6.516 -0.638 -5.796 1.00 0.00 C ATOM 736 CG TYR A 49 6.199 -0.634 -7.274 1.00 0.00 C ATOM 737 CD1 TYR A 49 6.106 0.555 -7.987 1.00 0.00 C ATOM 738 CD2 TYR A 49 5.981 -1.824 -7.952 1.00 0.00 C ATOM 739 CE1 TYR A 49 5.804 0.555 -9.335 1.00 0.00 C ATOM 740 CE2 TYR A 49 5.682 -1.832 -9.301 1.00 0.00 C ATOM 741 CZ TYR A 49 5.593 -0.640 -9.987 1.00 0.00 C ATOM 742 OH TYR A 49 5.290 -0.642 -11.331 1.00 0.00 O ATOM 0 H TYR A 49 8.306 1.796 -6.157 1.00 0.00 H new ATOM 0 HA TYR A 49 8.189 -0.552 -4.465 1.00 0.00 H new ATOM 0 HB2 TYR A 49 6.402 -1.654 -5.417 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.781 -0.021 -5.280 1.00 0.00 H new ATOM 0 HD1 TYR A 49 6.272 1.494 -7.479 1.00 0.00 H new ATOM 0 HD2 TYR A 49 6.046 -2.760 -7.417 1.00 0.00 H new ATOM 0 HE1 TYR A 49 5.734 1.488 -9.875 1.00 0.00 H new ATOM 0 HE2 TYR A 49 5.519 -2.768 -9.815 1.00 0.00 H new ATOM 0 HH TYR A 49 5.172 -1.565 -11.638 1.00 0.00 H new ATOM 752 N LYS A 50 9.260 -1.894 -6.421 1.00 0.00 N ATOM 753 CA LYS A 50 10.253 -2.472 -7.317 1.00 0.00 C ATOM 754 C LYS A 50 9.590 -3.060 -8.557 1.00 0.00 C ATOM 755 O LYS A 50 8.392 -3.309 -8.555 1.00 0.00 O ATOM 756 CB LYS A 50 11.049 -3.556 -6.594 1.00 0.00 C ATOM 757 CG LYS A 50 12.498 -3.180 -6.349 1.00 0.00 C ATOM 758 CD LYS A 50 13.435 -4.004 -7.211 1.00 0.00 C ATOM 759 CE LYS A 50 14.667 -3.210 -7.603 1.00 0.00 C ATOM 760 NZ LYS A 50 15.872 -4.072 -7.723 1.00 0.00 N ATOM 0 H LYS A 50 8.828 -2.564 -5.784 1.00 0.00 H new ATOM 0 HA LYS A 50 10.930 -1.677 -7.630 1.00 0.00 H new ATOM 0 HB2 LYS A 50 10.571 -3.770 -5.638 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.014 -4.474 -7.181 1.00 0.00 H new ATOM 0 HG2 LYS A 50 12.642 -2.121 -6.562 1.00 0.00 H new ATOM 0 HG3 LYS A 50 12.742 -3.330 -5.297 1.00 0.00 H new ATOM 0 HD2 LYS A 50 13.735 -4.901 -6.670 1.00 0.00 H new ATOM 0 HD3 LYS A 50 12.911 -4.333 -8.109 1.00 0.00 H new ATOM 0 HE2 LYS A 50 14.486 -2.706 -8.552 1.00 0.00 H new ATOM 0 HE3 LYS A 50 14.849 -2.434 -6.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 16.690 -3.489 -7.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 16.061 -4.534 -6.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 15.709 -4.797 -8.450 1.00 0.00 H new ATOM 774 N LEU A 51 10.393 -3.250 -9.607 1.00 0.00 N ATOM 775 CA LEU A 51 9.943 -3.763 -10.913 1.00 0.00 C ATOM 776 C LEU A 51 8.771 -4.744 -10.809 1.00 0.00 C ATOM 777 O LEU A 51 7.773 -4.609 -11.515 1.00 0.00 O ATOM 778 CB LEU A 51 11.114 -4.440 -11.631 1.00 0.00 C ATOM 779 CG LEU A 51 12.352 -4.679 -10.765 1.00 0.00 C ATOM 780 CD1 LEU A 51 12.258 -6.023 -10.056 1.00 0.00 C ATOM 781 CD2 LEU A 51 13.612 -4.603 -11.609 1.00 0.00 C ATOM 0 H LEU A 51 11.393 -3.049 -9.578 1.00 0.00 H new ATOM 0 HA LEU A 51 9.586 -2.904 -11.481 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.774 -5.398 -12.025 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.400 -3.827 -12.486 1.00 0.00 H new ATOM 0 HG LEU A 51 12.400 -3.897 -10.007 1.00 0.00 H new ATOM 0 HD11 LEU A 51 13.148 -6.175 -9.445 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.374 -6.037 -9.419 1.00 0.00 H new ATOM 0 HD13 LEU A 51 12.185 -6.820 -10.796 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.484 -4.775 -10.978 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.573 -5.363 -12.390 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.685 -3.616 -12.066 1.00 0.00 H new ATOM 793 N GLY A 52 8.897 -5.725 -9.926 1.00 0.00 N ATOM 794 CA GLY A 52 7.825 -6.677 -9.728 1.00 0.00 C ATOM 795 C GLY A 52 7.624 -7.002 -8.266 1.00 0.00 C ATOM 796 O GLY A 52 7.164 -8.091 -7.920 1.00 0.00 O ATOM 0 H GLY A 52 9.721 -5.878 -9.345 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.900 -6.274 -10.141 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.046 -7.593 -10.276 1.00 0.00 H new ATOM 800 N ARG A 53 7.997 -6.070 -7.402 1.00 0.00 N ATOM 801 CA ARG A 53 7.875 -6.263 -5.966 1.00 0.00 C ATOM 802 C ARG A 53 7.294 -5.023 -5.315 1.00 0.00 C ATOM 803 O ARG A 53 7.608 -3.903 -5.709 1.00 0.00 O ATOM 804 CB ARG A 53 9.239 -6.568 -5.340 1.00 0.00 C ATOM 805 CG ARG A 53 10.003 -7.678 -6.034 1.00 0.00 C ATOM 806 CD ARG A 53 10.648 -8.623 -5.031 1.00 0.00 C ATOM 807 NE ARG A 53 11.715 -9.414 -5.640 1.00 0.00 N ATOM 808 CZ ARG A 53 12.519 -10.232 -4.966 1.00 0.00 C ATOM 809 NH1 ARG A 53 12.375 -10.394 -3.655 1.00 0.00 N ATOM 810 NH2 ARG A 53 13.479 -10.885 -5.607 1.00 0.00 N ATOM 0 H ARG A 53 8.389 -5.168 -7.673 1.00 0.00 H new ATOM 0 HA ARG A 53 7.209 -7.109 -5.798 1.00 0.00 H new ATOM 0 HB2 ARG A 53 9.844 -5.661 -5.353 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.095 -6.839 -4.294 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.327 -8.238 -6.680 1.00 0.00 H new ATOM 0 HG3 ARG A 53 10.772 -7.246 -6.675 1.00 0.00 H new ATOM 0 HD2 ARG A 53 11.052 -8.048 -4.198 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.890 -9.290 -4.620 1.00 0.00 H new ATOM 0 HE ARG A 53 11.852 -9.334 -6.648 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.643 -9.889 -3.156 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.997 -11.024 -3.148 1.00 0.00 H new ATOM 0 HH21 ARG A 53 13.598 -10.759 -6.612 1.00 0.00 H new ATOM 0 HH22 ARG A 53 14.098 -11.513 -5.095 1.00 0.00 H new ATOM 824 N LYS A 54 6.554 -5.219 -4.243 1.00 0.00 N ATOM 825 CA LYS A 54 6.037 -4.102 -3.473 1.00 0.00 C ATOM 826 C LYS A 54 6.783 -4.008 -2.151 1.00 0.00 C ATOM 827 O LYS A 54 6.674 -4.895 -1.304 1.00 0.00 O ATOM 828 CB LYS A 54 4.529 -4.245 -3.226 1.00 0.00 C ATOM 829 CG LYS A 54 4.011 -5.671 -3.327 1.00 0.00 C ATOM 830 CD LYS A 54 3.464 -6.163 -1.995 1.00 0.00 C ATOM 831 CE LYS A 54 3.806 -7.625 -1.760 1.00 0.00 C ATOM 832 NZ LYS A 54 4.701 -7.807 -0.587 1.00 0.00 N ATOM 0 H LYS A 54 6.296 -6.138 -3.884 1.00 0.00 H new ATOM 0 HA LYS A 54 6.192 -3.187 -4.044 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.297 -3.856 -2.235 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.994 -3.625 -3.945 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.228 -5.722 -4.084 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.816 -6.329 -3.656 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.873 -5.558 -1.186 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.382 -6.033 -1.974 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.888 -8.192 -1.606 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.287 -8.032 -2.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.518 -8.733 -0.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.693 -7.760 -0.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.519 -7.055 0.108 1.00 0.00 H new ATOM 846 N LEU A 55 7.632 -2.999 -2.036 1.00 0.00 N ATOM 847 CA LEU A 55 8.490 -2.839 -0.868 1.00 0.00 C ATOM 848 C LEU A 55 8.898 -1.379 -0.708 1.00 0.00 C ATOM 849 O LEU A 55 8.661 -0.571 -1.608 1.00 0.00 O ATOM 850 CB LEU A 55 9.727 -3.745 -1.000 1.00 0.00 C ATOM 851 CG LEU A 55 10.876 -3.226 -1.883 1.00 0.00 C ATOM 852 CD1 LEU A 55 11.936 -4.300 -2.038 1.00 0.00 C ATOM 853 CD2 LEU A 55 10.389 -2.792 -3.257 1.00 0.00 C ATOM 0 H LEU A 55 7.747 -2.272 -2.742 1.00 0.00 H new ATOM 0 HA LEU A 55 7.939 -3.135 0.024 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.122 -3.928 -0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.403 -4.707 -1.396 1.00 0.00 H new ATOM 0 HG LEU A 55 11.299 -2.353 -1.387 1.00 0.00 H new ATOM 0 HD11 LEU A 55 12.745 -3.925 -2.664 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.330 -4.567 -1.057 1.00 0.00 H new ATOM 0 HD13 LEU A 55 11.496 -5.181 -2.504 1.00 0.00 H new ATOM 0 HD21 LEU A 55 11.233 -2.433 -3.846 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.927 -3.639 -3.764 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.657 -1.992 -3.148 1.00 0.00 H new ATOM 865 N CYS A 56 9.545 -1.043 0.404 1.00 0.00 N ATOM 866 CA CYS A 56 10.006 0.320 0.608 1.00 0.00 C ATOM 867 C CYS A 56 11.294 0.572 -0.147 1.00 0.00 C ATOM 868 O CYS A 56 11.790 -0.283 -0.872 1.00 0.00 O ATOM 869 CB CYS A 56 10.214 0.650 2.089 1.00 0.00 C ATOM 870 SG CYS A 56 11.615 -0.208 2.879 1.00 0.00 S ATOM 0 H CYS A 56 9.758 -1.687 1.166 1.00 0.00 H new ATOM 0 HA CYS A 56 9.221 0.972 0.224 1.00 0.00 H new ATOM 0 HB2 CYS A 56 10.363 1.725 2.189 1.00 0.00 H new ATOM 0 HB3 CYS A 56 9.302 0.402 2.633 1.00 0.00 H new ATOM 0 HG CYS A 56 11.626 -1.454 2.507 1.00 0.00 H new ATOM 875 N ARG A 57 11.842 1.748 0.059 1.00 0.00 N ATOM 876 CA ARG A 57 13.076 2.137 -0.595 1.00 0.00 C ATOM 877 C ARG A 57 14.282 1.735 0.241 1.00 0.00 C ATOM 878 O ARG A 57 15.424 1.849 -0.203 1.00 0.00 O ATOM 879 CB ARG A 57 13.087 3.644 -0.839 1.00 0.00 C ATOM 880 CG ARG A 57 14.142 4.086 -1.830 1.00 0.00 C ATOM 881 CD ARG A 57 13.544 4.345 -3.198 1.00 0.00 C ATOM 882 NE ARG A 57 14.014 5.608 -3.749 1.00 0.00 N ATOM 883 CZ ARG A 57 14.621 5.729 -4.924 1.00 0.00 C ATOM 884 NH1 ARG A 57 14.659 4.709 -5.772 1.00 0.00 N ATOM 885 NH2 ARG A 57 15.146 6.893 -5.269 1.00 0.00 N ATOM 0 H ARG A 57 11.451 2.458 0.678 1.00 0.00 H new ATOM 0 HA ARG A 57 13.134 1.619 -1.552 1.00 0.00 H new ATOM 0 HB2 ARG A 57 12.107 3.953 -1.202 1.00 0.00 H new ATOM 0 HB3 ARG A 57 13.252 4.157 0.109 1.00 0.00 H new ATOM 0 HG2 ARG A 57 14.628 4.992 -1.467 1.00 0.00 H new ATOM 0 HG3 ARG A 57 14.913 3.320 -1.908 1.00 0.00 H new ATOM 0 HD2 ARG A 57 13.808 3.531 -3.873 1.00 0.00 H new ATOM 0 HD3 ARG A 57 12.457 4.359 -3.125 1.00 0.00 H new ATOM 0 HE ARG A 57 13.868 6.454 -3.198 1.00 0.00 H new ATOM 0 HH11 ARG A 57 14.220 3.823 -5.524 1.00 0.00 H new ATOM 0 HH12 ARG A 57 15.128 4.811 -6.672 1.00 0.00 H new ATOM 0 HH21 ARG A 57 15.083 7.689 -4.634 1.00 0.00 H new ATOM 0 HH22 ARG A 57 15.614 6.995 -6.170 1.00 0.00 H new ATOM 899 N ARG A 58 14.039 1.260 1.451 1.00 0.00 N ATOM 900 CA ARG A 58 15.132 0.881 2.329 1.00 0.00 C ATOM 901 C ARG A 58 15.488 -0.577 2.125 1.00 0.00 C ATOM 902 O ARG A 58 16.637 -0.912 1.830 1.00 0.00 O ATOM 903 CB ARG A 58 14.805 1.148 3.811 1.00 0.00 C ATOM 904 CG ARG A 58 13.573 2.010 4.062 1.00 0.00 C ATOM 905 CD ARG A 58 13.744 3.433 3.547 1.00 0.00 C ATOM 906 NE ARG A 58 13.014 4.417 4.350 1.00 0.00 N ATOM 907 CZ ARG A 58 11.684 4.436 4.517 1.00 0.00 C ATOM 908 NH1 ARG A 58 10.911 3.489 3.989 1.00 0.00 N ATOM 909 NH2 ARG A 58 11.124 5.405 5.224 1.00 0.00 N ATOM 0 H ARG A 58 13.107 1.129 1.844 1.00 0.00 H new ATOM 0 HA ARG A 58 15.989 1.502 2.068 1.00 0.00 H new ATOM 0 HB2 ARG A 58 14.667 0.191 4.313 1.00 0.00 H new ATOM 0 HB3 ARG A 58 15.666 1.630 4.275 1.00 0.00 H new ATOM 0 HG2 ARG A 58 12.709 1.553 3.579 1.00 0.00 H new ATOM 0 HG3 ARG A 58 13.363 2.036 5.131 1.00 0.00 H new ATOM 0 HD2 ARG A 58 14.804 3.688 3.542 1.00 0.00 H new ATOM 0 HD3 ARG A 58 13.399 3.485 2.514 1.00 0.00 H new ATOM 0 HE ARG A 58 13.559 5.142 4.817 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.329 2.733 3.447 1.00 0.00 H new ATOM 0 HH12 ARG A 58 9.901 3.520 4.127 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.704 6.134 5.639 1.00 0.00 H new ATOM 0 HH22 ARG A 58 10.112 5.423 5.353 1.00 0.00 H new ATOM 923 N ASP A 59 14.483 -1.436 2.192 1.00 0.00 N ATOM 924 CA ASP A 59 14.696 -2.860 1.974 1.00 0.00 C ATOM 925 C ASP A 59 14.835 -3.163 0.487 1.00 0.00 C ATOM 926 O ASP A 59 15.374 -4.201 0.104 1.00 0.00 O ATOM 927 CB ASP A 59 13.591 -3.690 2.650 1.00 0.00 C ATOM 928 CG ASP A 59 12.390 -4.030 1.776 1.00 0.00 C ATOM 929 OD1 ASP A 59 12.454 -5.067 1.068 1.00 0.00 O ATOM 930 OD2 ASP A 59 11.361 -3.305 1.808 1.00 0.00 O ATOM 0 H ASP A 59 13.518 -1.176 2.394 1.00 0.00 H new ATOM 0 HA ASP A 59 15.636 -3.151 2.444 1.00 0.00 H new ATOM 0 HB2 ASP A 59 14.030 -4.621 3.010 1.00 0.00 H new ATOM 0 HB3 ASP A 59 13.237 -3.145 3.525 1.00 0.00 H new ATOM 935 N TYR A 60 14.571 -2.149 -0.331 1.00 0.00 N ATOM 936 CA TYR A 60 14.861 -2.221 -1.756 1.00 0.00 C ATOM 937 C TYR A 60 16.362 -2.054 -1.992 1.00 0.00 C ATOM 938 O TYR A 60 16.952 -2.737 -2.834 1.00 0.00 O ATOM 939 CB TYR A 60 14.067 -1.143 -2.518 1.00 0.00 C ATOM 940 CG TYR A 60 14.863 -0.376 -3.555 1.00 0.00 C ATOM 941 CD1 TYR A 60 15.004 -0.864 -4.844 1.00 0.00 C ATOM 942 CD2 TYR A 60 15.485 0.829 -3.238 1.00 0.00 C ATOM 943 CE1 TYR A 60 15.745 -0.181 -5.789 1.00 0.00 C ATOM 944 CE2 TYR A 60 16.222 1.520 -4.178 1.00 0.00 C ATOM 945 CZ TYR A 60 16.350 1.011 -5.451 1.00 0.00 C ATOM 946 OH TYR A 60 17.096 1.691 -6.386 1.00 0.00 O ATOM 0 H TYR A 60 14.156 -1.267 -0.029 1.00 0.00 H new ATOM 0 HA TYR A 60 14.557 -3.198 -2.131 1.00 0.00 H new ATOM 0 HB2 TYR A 60 13.219 -1.618 -3.011 1.00 0.00 H new ATOM 0 HB3 TYR A 60 13.660 -0.434 -1.796 1.00 0.00 H new ATOM 0 HD1 TYR A 60 14.527 -1.794 -5.115 1.00 0.00 H new ATOM 0 HD2 TYR A 60 15.389 1.229 -2.240 1.00 0.00 H new ATOM 0 HE1 TYR A 60 15.850 -0.579 -6.788 1.00 0.00 H new ATOM 0 HE2 TYR A 60 16.696 2.455 -3.917 1.00 0.00 H new ATOM 0 HH TYR A 60 17.452 2.512 -5.986 1.00 0.00 H new ATOM 1420 N LEU A 96 1.627 7.678 -4.846 1.00 0.00 N ATOM 1421 CA LEU A 96 0.653 7.693 -3.761 1.00 0.00 C ATOM 1422 C LEU A 96 -0.004 6.329 -3.577 1.00 0.00 C ATOM 1423 O LEU A 96 0.357 5.355 -4.241 1.00 0.00 O ATOM 1424 CB LEU A 96 -0.424 8.745 -4.034 1.00 0.00 C ATOM 1425 CG LEU A 96 0.094 10.108 -4.494 1.00 0.00 C ATOM 1426 CD1 LEU A 96 -0.877 10.738 -5.479 1.00 0.00 C ATOM 1427 CD2 LEU A 96 0.313 11.021 -3.300 1.00 0.00 C ATOM 0 HA LEU A 96 1.187 7.941 -2.844 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.102 8.357 -4.794 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.010 8.885 -3.126 1.00 0.00 H new ATOM 0 HG LEU A 96 1.050 9.966 -4.997 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.494 11.708 -5.797 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.987 10.088 -6.347 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.847 10.870 -5.000 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.682 11.987 -3.644 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.630 11.160 -2.770 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.044 10.572 -2.628 1.00 0.00 H new ATOM 1439 N ILE A 97 -1.019 6.292 -2.719 1.00 0.00 N ATOM 1440 CA ILE A 97 -1.820 5.098 -2.493 1.00 0.00 C ATOM 1441 C ILE A 97 -3.223 5.512 -2.118 1.00 0.00 C ATOM 1442 O ILE A 97 -3.408 6.477 -1.377 1.00 0.00 O ATOM 1443 CB ILE A 97 -1.280 4.186 -1.369 1.00 0.00 C ATOM 1444 CG1 ILE A 97 -0.021 4.774 -0.727 1.00 0.00 C ATOM 1445 CG2 ILE A 97 -1.015 2.789 -1.911 1.00 0.00 C ATOM 1446 CD1 ILE A 97 -0.256 5.356 0.650 1.00 0.00 C ATOM 0 H ILE A 97 -1.309 7.094 -2.159 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.787 4.528 -3.421 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.039 4.120 -0.590 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.739 3.995 -0.658 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.378 5.552 -1.377 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -0.635 2.154 -1.111 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -1.942 2.367 -2.299 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -0.278 2.843 -2.712 1.00 0.00 H new ATOM 0 HD11 ILE A 97 0.680 5.754 1.042 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.992 6.158 0.585 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.626 4.577 1.316 1.00 0.00 H new ATOM 1458 N THR A 98 -4.204 4.799 -2.618 1.00 0.00 N ATOM 1459 CA THR A 98 -5.568 5.114 -2.326 1.00 0.00 C ATOM 1460 C THR A 98 -6.218 3.944 -1.594 1.00 0.00 C ATOM 1461 O THR A 98 -6.135 2.791 -2.033 1.00 0.00 O ATOM 1462 CB THR A 98 -6.320 5.465 -3.631 1.00 0.00 C ATOM 1463 OG1 THR A 98 -6.495 6.881 -3.734 1.00 0.00 O ATOM 1464 CG2 THR A 98 -7.664 4.774 -3.712 1.00 0.00 C ATOM 0 H THR A 98 -4.074 3.994 -3.231 1.00 0.00 H new ATOM 0 HA THR A 98 -5.616 5.986 -1.674 1.00 0.00 H new ATOM 0 HB THR A 98 -5.713 5.110 -4.463 1.00 0.00 H new ATOM 0 HG1 THR A 98 -6.971 7.092 -4.564 1.00 0.00 H new ATOM 0 HG21 THR A 98 -8.158 5.048 -4.644 1.00 0.00 H new ATOM 0 HG22 THR A 98 -7.520 3.694 -3.681 1.00 0.00 H new ATOM 0 HG23 THR A 98 -8.283 5.082 -2.869 1.00 0.00 H new ATOM 1472 N ARG A 99 -6.817 4.237 -0.456 1.00 0.00 N ATOM 1473 CA ARG A 99 -7.511 3.231 0.314 1.00 0.00 C ATOM 1474 C ARG A 99 -8.989 3.302 -0.016 1.00 0.00 C ATOM 1475 O ARG A 99 -9.669 4.266 0.341 1.00 0.00 O ATOM 1476 CB ARG A 99 -7.265 3.421 1.811 1.00 0.00 C ATOM 1477 CG ARG A 99 -6.113 2.579 2.322 1.00 0.00 C ATOM 1478 CD ARG A 99 -6.001 2.604 3.834 1.00 0.00 C ATOM 1479 NE ARG A 99 -6.871 1.614 4.462 1.00 0.00 N ATOM 1480 CZ ARG A 99 -7.795 1.897 5.373 1.00 0.00 C ATOM 1481 NH1 ARG A 99 -7.967 3.141 5.802 1.00 0.00 N ATOM 1482 NH2 ARG A 99 -8.540 0.915 5.865 1.00 0.00 N ATOM 0 H ARG A 99 -6.835 5.170 -0.045 1.00 0.00 H new ATOM 0 HA ARG A 99 -7.131 2.243 0.054 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -7.059 4.472 2.011 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -8.171 3.163 2.360 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -6.243 1.550 1.988 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -5.182 2.940 1.886 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -4.968 2.415 4.124 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -6.258 3.598 4.200 1.00 0.00 H new ATOM 0 HE ARG A 99 -6.762 0.639 4.182 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -7.386 3.893 5.432 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -8.680 3.345 6.502 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -8.399 -0.043 5.543 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -9.253 1.118 6.565 1.00 0.00 H new ATOM 1496 N LEU A 100 -9.423 2.387 -0.860 1.00 0.00 N ATOM 1497 CA LEU A 100 -10.770 2.427 -1.403 1.00 0.00 C ATOM 1498 C LEU A 100 -11.673 1.430 -0.709 1.00 0.00 C ATOM 1499 O LEU A 100 -11.214 0.568 0.041 1.00 0.00 O ATOM 1500 CB LEU A 100 -10.736 2.122 -2.898 1.00 0.00 C ATOM 1501 CG LEU A 100 -11.802 2.819 -3.744 1.00 0.00 C ATOM 1502 CD1 LEU A 100 -11.196 3.986 -4.504 1.00 0.00 C ATOM 1503 CD2 LEU A 100 -12.438 1.834 -4.712 1.00 0.00 C ATOM 0 H LEU A 100 -8.860 1.602 -1.187 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.169 3.428 -1.237 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -9.755 2.399 -3.284 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.839 1.045 -3.032 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.575 3.202 -3.078 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -11.968 4.471 -5.101 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -10.779 4.704 -3.797 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.405 3.622 -5.160 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -13.195 2.346 -5.307 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.672 1.426 -5.372 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -12.904 1.023 -4.152 1.00 0.00 H new ATOM 1515 N GLU A 101 -12.937 1.474 -1.073 1.00 0.00 N ATOM 1516 CA GLU A 101 -13.910 0.514 -0.586 1.00 0.00 C ATOM 1517 C GLU A 101 -14.201 -0.513 -1.664 1.00 0.00 C ATOM 1518 O GLU A 101 -14.404 -0.156 -2.825 1.00 0.00 O ATOM 1519 CB GLU A 101 -15.218 1.201 -0.195 1.00 0.00 C ATOM 1520 CG GLU A 101 -15.050 2.625 0.303 1.00 0.00 C ATOM 1521 CD GLU A 101 -15.783 2.863 1.605 1.00 0.00 C ATOM 1522 OE1 GLU A 101 -16.199 1.876 2.251 1.00 0.00 O ATOM 1523 OE2 GLU A 101 -15.951 4.038 1.992 1.00 0.00 O ATOM 0 H GLU A 101 -13.320 2.172 -1.711 1.00 0.00 H new ATOM 0 HA GLU A 101 -13.489 0.030 0.295 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -15.884 1.206 -1.058 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -15.706 0.612 0.581 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -13.990 2.838 0.440 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -15.419 3.319 -0.452 1.00 0.00 H new ATOM 1530 N ASN A 102 -14.353 -1.760 -1.259 1.00 0.00 N ATOM 1531 CA ASN A 102 -14.792 -2.790 -2.185 1.00 0.00 C ATOM 1532 C ASN A 102 -16.306 -2.727 -2.306 1.00 0.00 C ATOM 1533 O ASN A 102 -16.864 -2.888 -3.387 1.00 0.00 O ATOM 1534 CB ASN A 102 -14.345 -4.177 -1.714 1.00 0.00 C ATOM 1535 CG ASN A 102 -14.956 -5.300 -2.537 1.00 0.00 C ATOM 1536 OD1 ASN A 102 -14.916 -5.285 -3.767 1.00 0.00 O ATOM 1537 ND2 ASN A 102 -15.518 -6.289 -1.858 1.00 0.00 N ATOM 0 H ASN A 102 -14.182 -2.083 -0.307 1.00 0.00 H new ATOM 0 HA ASN A 102 -14.339 -2.615 -3.161 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -13.258 -4.242 -1.768 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -14.621 -4.307 -0.667 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -15.938 -7.075 -2.355 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -15.531 -6.265 -0.838 1.00 0.00 H new ATOM 1544 N THR A 103 -16.956 -2.374 -1.209 1.00 0.00 N ATOM 1545 CA THR A 103 -18.392 -2.180 -1.203 1.00 0.00 C ATOM 1546 C THR A 103 -18.730 -0.718 -0.910 1.00 0.00 C ATOM 1547 O THR A 103 -18.491 0.161 -1.737 1.00 0.00 O ATOM 1548 CB THR A 103 -19.051 -3.092 -0.155 1.00 0.00 C ATOM 1549 OG1 THR A 103 -18.061 -3.565 0.768 1.00 0.00 O ATOM 1550 CG2 THR A 103 -19.736 -4.267 -0.815 1.00 0.00 C ATOM 0 H THR A 103 -16.506 -2.216 -0.307 1.00 0.00 H new ATOM 0 HA THR A 103 -18.779 -2.440 -2.188 1.00 0.00 H new ATOM 0 HB THR A 103 -19.803 -2.512 0.380 1.00 0.00 H new ATOM 0 HG1 THR A 103 -18.486 -4.144 1.435 1.00 0.00 H new ATOM 0 HG21 THR A 103 -20.194 -4.897 -0.052 1.00 0.00 H new ATOM 0 HG22 THR A 103 -20.506 -3.904 -1.496 1.00 0.00 H new ATOM 0 HG23 THR A 103 -19.003 -4.849 -1.373 1.00 0.00 H new