Browse entries in the PDBbind-CN Database
HEADER 4XEK_COMPLEX COMPND 4XEK_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 137 HIS MET ALA ASN LEU ASP ARG THR ASP ASP LEU VAL TYR SEQRES 2 A 137 LEU ASN VAL MET GLU LEU VAL ARG ALA VAL LEU GLU LEU SEQRES 3 A 137 LYS ASN GLU LEU SER GLN LEU PRO PRO GLU GLY TYR VAL SEQRES 4 A 137 VAL VAL VAL LYS ASN VAL GLY LEU THR LEU ARG LYS LEU SEQRES 5 A 137 ILE GLY SER VAL ASP ASP LEU LEU PRO SER LEU PRO SER SEQRES 6 A 137 SER SER ARG THR GLU ILE GLU GLY THR GLN LYS LEU LEU SEQRES 7 A 137 ASN LYS ASP LEU ALA GLU LEU ILE ASN LYS MET ARG LEU SEQRES 8 A 137 ALA GLN GLN ASN ALA VAL THR SER LEU SER GLU GLU ALA SEQRES 9 A 137 LYS ARG GLN MET LEU THR ALA SER HIS THR LEU ALA VAL SEQRES 10 A 137 ASP ALA LYS ASN LEU LEU ASP ALA VAL ASP GLN ALA LYS SEQRES 11 A 137 VAL LEU ALA ASN LEU ALA HIS HET LYS A 205 223 ATOM 1 N HIS A 869 -45.180 2.220 -30.946 1.00 68.73 N ATOM 2 CA HIS A 869 -45.167 1.185 -29.915 1.00 65.84 C ATOM 3 C HIS A 869 -43.743 0.882 -29.449 1.00 63.39 C ATOM 4 O HIS A 869 -43.545 0.200 -28.445 1.00 61.73 O ATOM 5 CB HIS A 869 -45.834 -0.095 -30.429 1.00 71.36 C ATOM 6 CG HIS A 869 -45.087 -0.753 -31.546 1.00 73.12 C ATOM 7 ND1 HIS A 869 -44.132 -1.722 -31.332 1.00 72.15 N ATOM 8 CD2 HIS A 869 -45.142 -0.564 -32.886 1.00 79.36 C ATOM 9 CE1 HIS A 869 -43.634 -2.110 -32.494 1.00 77.78 C ATOM 10 NE2 HIS A 869 -44.230 -1.424 -33.451 1.00 82.21 N ATOM 11 HN3 HIS A 869 -44.625 1.899 -31.765 1.00 0.00 H ATOM 12 HN2 HIS A 869 -44.764 3.093 -30.564 1.00 0.00 H ATOM 13 HN1 HIS A 869 -46.161 2.402 -31.240 1.00 0.00 H ATOM 14 N MET A 870 -42.756 1.384 -30.188 1.00 79.58 N ATOM 15 CA MET A 870 -41.354 1.232 -29.805 1.00 82.13 C ATOM 16 C MET A 870 -40.773 2.529 -29.247 1.00 77.94 C ATOM 17 O MET A 870 -39.552 2.673 -29.127 1.00 79.86 O ATOM 18 CB MET A 870 -40.514 0.762 -30.993 1.00 91.52 C ATOM 19 CG MET A 870 -40.205 -0.720 -30.966 1.00 95.52 C ATOM 20 SD MET A 870 -39.320 -1.253 -29.481 1.00102.72 S ATOM 21 CE MET A 870 -37.646 -0.739 -29.874 1.00102.86 C ATOM 22 H MET A 870 -42.989 1.898 -31.061 1.00 0.00 H ATOM 23 N ALA A 871 -41.652 3.466 -28.903 1.00 57.57 N ATOM 24 CA ALA A 871 -41.229 4.749 -28.342 1.00 54.84 C ATOM 25 C ALA A 871 -40.663 4.585 -26.931 1.00 51.60 C ATOM 26 O ALA A 871 -41.059 3.672 -26.198 1.00 51.49 O ATOM 27 CB ALA A 871 -42.395 5.729 -28.328 1.00 55.40 C ATOM 28 H ALA A 871 -42.667 3.282 -29.036 1.00 0.00 H ATOM 29 N ASN A 872 -39.745 5.476 -26.556 1.00 49.70 N ATOM 30 CA ASN A 872 -39.234 5.535 -25.184 1.00 47.59 C ATOM 31 C ASN A 872 -40.355 5.557 -24.158 1.00 45.36 C ATOM 32 O ASN A 872 -41.445 6.079 -24.429 1.00 46.68 O ATOM 33 CB ASN A 872 -38.360 6.777 -24.980 1.00 43.47 C ATOM 34 CG ASN A 872 -37.133 6.783 -25.865 1.00 47.33 C ATOM 35 OD1 ASN A 872 -36.073 6.273 -25.486 1.00 46.94 O ATOM 36 ND2 ASN A 872 -37.257 7.393 -27.044 1.00 45.53 N ATOM 37 HD22 ASN A 872 -38.169 7.808 -27.321 1.00 0.00 H ATOM 38 HD21 ASN A 872 -36.441 7.454 -27.686 1.00 0.00 H ATOM 39 H ASN A 872 -39.380 6.150 -27.259 1.00 0.00 H ATOM 40 N LEU A 873 -40.094 4.999 -22.977 1.00 43.52 N ATOM 41 CA LEU A 873 -41.085 5.013 -21.902 1.00 42.89 C ATOM 42 C LEU A 873 -41.209 6.420 -21.310 1.00 40.89 C ATOM 43 O LEU A 873 -40.226 7.168 -21.273 1.00 39.49 O ATOM 44 CB LEU A 873 -40.715 4.000 -20.811 1.00 41.95 C ATOM 45 CG LEU A 873 -40.558 2.538 -21.250 1.00 47.87 C ATOM 46 CD1 LEU A 873 -40.162 1.678 -20.062 1.00 45.83 C ATOM 47 CD2 LEU A 873 -41.843 2.010 -21.882 1.00 57.13 C ATOM 48 H LEU A 873 -39.171 4.547 -22.817 1.00 0.00 H ATOM 49 N ASP A 874 -42.413 6.784 -20.868 1.00 41.49 N ATOM 50 CA ASP A 874 -42.624 8.054 -20.174 1.00 45.75 C ATOM 51 C ASP A 874 -41.904 8.024 -18.827 1.00 37.63 C ATOM 52 O ASP A 874 -42.220 7.200 -17.977 1.00 36.52 O ATOM 53 CB ASP A 874 -44.118 8.331 -19.970 1.00 43.98 C ATOM 54 CG ASP A 874 -44.403 9.777 -19.571 1.00 52.18 C ATOM 55 OD1 ASP A 874 -43.820 10.270 -18.580 1.00 45.57 O ATOM 56 OD2 ASP A 874 -45.214 10.433 -20.261 1.00 58.15 O ATOM 57 H ASP A 874 -43.222 6.149 -21.021 1.00 0.00 H ATOM 58 N ARG A 875 -40.956 8.932 -18.627 1.00 34.43 N ATOM 59 CA ARG A 875 -40.132 8.891 -17.423 1.00 31.74 C ATOM 60 C ARG A 875 -40.580 9.854 -16.325 1.00 32.56 C ATOM 61 O ARG A 875 -39.892 9.998 -15.315 1.00 30.22 O ATOM 62 CB ARG A 875 -38.676 9.184 -17.784 1.00 30.25 C ATOM 63 CG ARG A 875 -38.110 8.260 -18.847 1.00 31.92 C ATOM 64 CD ARG A 875 -38.168 6.803 -18.421 1.00 32.66 C ATOM 65 NE ARG A 875 -37.297 5.962 -19.247 1.00 34.40 N ATOM 66 CZ ARG A 875 -37.113 4.657 -19.054 1.00 34.47 C ATOM 67 NH1 ARG A 875 -37.734 4.033 -18.059 1.00 34.23 N ATOM 68 NH2 ARG A 875 -36.302 3.975 -19.855 1.00 36.47 N ATOM 69 HE ARG A 875 -36.790 6.413 -20.035 1.00 0.00 H ATOM 70 HH12 ARG A 875 -37.587 3.014 -17.912 1.00 0.00 H ATOM 71 HH11 ARG A 875 -38.367 4.564 -17.427 1.00 0.00 H ATOM 72 HH22 ARG A 875 -36.158 2.956 -19.704 1.00 0.00 H ATOM 73 HH21 ARG A 875 -35.811 4.460 -20.633 1.00 0.00 H ATOM 74 H ARG A 875 -40.799 9.678 -19.334 1.00 0.00 H ATOM 75 N THR A 876 -41.731 10.497 -16.507 1.00 46.24 N ATOM 76 CA THR A 876 -42.140 11.599 -15.624 1.00 54.52 C ATOM 77 C THR A 876 -42.118 11.280 -14.128 1.00 50.29 C ATOM 78 O THR A 876 -41.561 12.049 -13.336 1.00 52.85 O ATOM 79 CB THR A 876 -43.558 12.099 -15.960 1.00 55.94 C ATOM 80 OG1 THR A 876 -43.653 12.356 -17.365 1.00 57.99 O ATOM 81 CG2 THR A 876 -43.844 13.376 -15.195 1.00 56.83 C ATOM 82 HG1 THR A 876 -43.470 11.522 -17.865 1.00 0.00 H ATOM 83 H THR A 876 -42.354 10.214 -17.290 1.00 0.00 H ATOM 84 N ASP A 877 -42.728 10.166 -13.737 1.00 50.52 N ATOM 85 CA ASP A 877 -42.745 9.783 -12.325 1.00 51.62 C ATOM 86 C ASP A 877 -41.855 8.570 -12.042 1.00 44.05 C ATOM 87 O ASP A 877 -42.063 7.846 -11.067 1.00 43.17 O ATOM 88 CB ASP A 877 -44.175 9.486 -11.870 1.00 58.67 C ATOM 89 CG ASP A 877 -45.059 10.721 -11.868 1.00 68.79 C ATOM 90 OD1 ASP A 877 -45.795 10.935 -12.854 1.00 72.55 O ATOM 91 OD2 ASP A 877 -45.021 11.477 -10.874 1.00 71.43 O ATOM 92 H ASP A 877 -43.197 9.561 -14.441 1.00 0.00 H ATOM 93 N ASP A 878 -40.861 8.356 -12.892 1.00 35.79 N ATOM 94 CA ASP A 878 -40.062 7.135 -12.829 1.00 34.42 C ATOM 95 C ASP A 878 -38.841 7.307 -11.919 1.00 28.84 C ATOM 96 O ASP A 878 -37.775 7.752 -12.360 1.00 24.89 O ATOM 97 CB ASP A 878 -39.631 6.729 -14.241 1.00 36.25 C ATOM 98 CG ASP A 878 -39.051 5.318 -14.304 1.00 38.15 C ATOM 99 OD1 ASP A 878 -38.539 4.827 -13.270 1.00 34.98 O ATOM 100 OD2 ASP A 878 -39.084 4.716 -15.402 1.00 36.45 O ATOM 101 H ASP A 878 -40.646 9.070 -13.617 1.00 0.00 H ATOM 102 N LEU A 879 -38.999 6.929 -10.654 1.00 27.60 N ATOM 103 CA LEU A 879 -37.933 7.090 -9.658 1.00 25.65 C ATOM 104 C LEU A 879 -36.676 6.254 -9.940 1.00 21.83 C ATOM 105 O LEU A 879 -35.565 6.706 -9.703 1.00 21.52 O ATOM 106 CB LEU A 879 -38.467 6.736 -8.270 1.00 28.85 C ATOM 107 CG LEU A 879 -37.582 7.099 -7.081 1.00 32.07 C ATOM 108 CD1 LEU A 879 -37.237 8.583 -7.116 1.00 31.96 C ATOM 109 CD2 LEU A 879 -38.291 6.723 -5.766 1.00 33.37 C ATOM 110 H LEU A 879 -39.904 6.507 -10.362 1.00 0.00 H ATOM 111 N VAL A 880 -36.863 5.030 -10.416 1.00 21.43 N ATOM 112 CA VAL A 880 -35.724 4.166 -10.733 1.00 18.58 C ATOM 113 C VAL A 880 -34.909 4.803 -11.840 1.00 17.46 C ATOM 114 O VAL A 880 -33.702 4.919 -11.742 1.00 17.25 O ATOM 115 CB VAL A 880 -36.194 2.747 -11.128 1.00 15.83 C ATOM 116 CG1 VAL A 880 -35.058 1.939 -11.767 1.00 17.04 C ATOM 117 CG2 VAL A 880 -36.758 2.030 -9.902 1.00 23.19 C ATOM 118 H VAL A 880 -37.831 4.680 -10.566 1.00 0.00 H ATOM 119 N TYR A 881 -35.590 5.273 -12.875 1.00 17.85 N ATOM 120 CA TYR A 881 -34.922 5.949 -13.986 1.00 17.43 C ATOM 121 C TYR A 881 -34.178 7.201 -13.541 1.00 21.34 C ATOM 122 O TYR A 881 -33.028 7.421 -13.942 1.00 17.30 O ATOM 123 CB TYR A 881 -35.942 6.321 -15.069 1.00 19.03 C ATOM 124 CG TYR A 881 -35.379 7.161 -16.184 1.00 24.57 C ATOM 125 CD1 TYR A 881 -34.773 6.559 -17.293 1.00 23.60 C ATOM 126 CD2 TYR A 881 -35.443 8.553 -16.137 1.00 29.65 C ATOM 127 CE1 TYR A 881 -34.270 7.320 -18.330 1.00 24.44 C ATOM 128 CE2 TYR A 881 -34.922 9.324 -17.169 1.00 34.42 C ATOM 129 CZ TYR A 881 -34.344 8.700 -18.259 1.00 31.99 C ATOM 130 OH TYR A 881 -33.846 9.469 -19.282 1.00 36.06 O ATOM 131 HH TYR A 881 -33.136 10.063 -18.931 1.00 0.00 H ATOM 132 H TYR A 881 -36.623 5.158 -12.898 1.00 0.00 H ATOM 133 N LEU A 882 -34.836 8.037 -12.740 1.00 18.66 N ATOM 134 CA LEU A 882 -34.189 9.222 -12.192 1.00 22.06 C ATOM 135 C LEU A 882 -32.897 8.846 -11.463 1.00 22.66 C ATOM 136 O LEU A 882 -31.859 9.458 -11.674 1.00 21.48 O ATOM 137 CB LEU A 882 -35.134 9.968 -11.233 1.00 25.42 C ATOM 138 CG LEU A 882 -34.707 11.336 -10.645 1.00 40.26 C ATOM 139 CD1 LEU A 882 -35.934 12.075 -10.100 1.00 39.84 C ATOM 140 CD2 LEU A 882 -33.628 11.254 -9.546 1.00 41.50 C ATOM 141 H LEU A 882 -35.829 7.841 -12.501 1.00 0.00 H ATOM 142 N ASN A 883 -32.982 7.857 -10.586 1.00 21.52 N ATOM 143 CA ASN A 883 -31.811 7.467 -9.796 1.00 17.27 C ATOM 144 C ASN A 883 -30.719 6.793 -10.639 1.00 16.82 C ATOM 145 O ASN A 883 -29.540 6.960 -10.364 1.00 16.87 O ATOM 146 CB ASN A 883 -32.239 6.545 -8.658 1.00 19.84 C ATOM 147 CG ASN A 883 -32.911 7.320 -7.525 1.00 32.20 C ATOM 148 OD1 ASN A 883 -32.482 8.428 -7.184 1.00 37.80 O ATOM 149 ND2 ASN A 883 -33.949 6.750 -6.948 1.00 24.79 N ATOM 150 HD22 ASN A 883 -34.274 5.816 -7.269 1.00 0.00 H ATOM 151 HD21 ASN A 883 -34.443 7.234 -6.171 1.00 0.00 H ATOM 152 H ASN A 883 -33.884 7.355 -10.458 1.00 0.00 H ATOM 153 N VAL A 884 -31.111 6.043 -11.658 1.00 17.78 N ATOM 154 CA VAL A 884 -30.077 5.455 -12.534 1.00 15.95 C ATOM 155 C VAL A 884 -29.324 6.574 -13.233 1.00 20.63 C ATOM 156 O VAL A 884 -28.096 6.570 -13.301 1.00 18.35 O ATOM 157 CB VAL A 884 -30.644 4.483 -13.587 1.00 14.55 C ATOM 158 CG1 VAL A 884 -29.551 4.158 -14.668 1.00 16.79 C ATOM 159 CG2 VAL A 884 -31.146 3.201 -12.919 1.00 14.25 C ATOM 160 H VAL A 884 -32.121 5.872 -11.837 1.00 0.00 H ATOM 161 N MET A 885 -30.052 7.558 -13.746 1.00 20.21 N ATOM 162 CA MET A 885 -29.378 8.618 -14.499 1.00 23.00 C ATOM 163 C MET A 885 -28.534 9.488 -13.579 1.00 23.49 C ATOM 164 O MET A 885 -27.463 9.946 -13.979 1.00 26.04 O ATOM 165 CB MET A 885 -30.403 9.461 -15.288 1.00 22.65 C ATOM 166 CG MET A 885 -31.036 8.692 -16.475 1.00 25.50 C ATOM 167 SD MET A 885 -29.905 7.586 -17.393 1.00 32.27 S ATOM 168 CE MET A 885 -28.661 8.754 -17.957 1.00 32.23 C ATOM 169 H MET A 885 -31.084 7.576 -13.615 1.00 0.00 H ATOM 170 N GLU A 886 -28.970 9.670 -12.335 1.00 20.99 N ATOM 171 CA GLU A 886 -28.169 10.396 -11.345 1.00 23.41 C ATOM 172 C GLU A 886 -26.864 9.649 -11.027 1.00 20.51 C ATOM 173 O GLU A 886 -25.785 10.249 -10.920 1.00 24.73 O ATOM 174 CB GLU A 886 -28.977 10.609 -10.066 1.00 29.93 C ATOM 175 CG GLU A 886 -28.194 11.212 -8.915 1.00 42.77 C ATOM 176 CD GLU A 886 -29.096 11.742 -7.803 1.00 50.94 C ATOM 177 OE1 GLU A 886 -30.303 11.964 -8.057 1.00 51.69 O ATOM 178 OE2 GLU A 886 -28.591 11.944 -6.681 1.00 51.55 O ATOM 179 H GLU A 886 -29.898 9.289 -12.060 1.00 0.00 H ATOM 180 N LEU A 887 -26.972 8.337 -10.873 1.00 21.47 N ATOM 181 CA LEU A 887 -25.785 7.503 -10.652 1.00 19.96 C ATOM 182 C LEU A 887 -24.812 7.596 -11.828 1.00 17.87 C ATOM 183 O LEU A 887 -23.609 7.755 -11.618 1.00 18.84 O ATOM 184 CB LEU A 887 -26.193 6.044 -10.407 1.00 17.18 C ATOM 185 CG LEU A 887 -25.073 5.009 -10.180 1.00 17.43 C ATOM 186 CD1 LEU A 887 -24.136 5.467 -9.130 1.00 20.81 C ATOM 187 CD2 LEU A 887 -25.693 3.673 -9.749 1.00 18.10 C ATOM 188 H LEU A 887 -27.911 7.892 -10.909 1.00 0.00 H ATOM 189 N VAL A 888 -25.317 7.485 -13.066 1.00 17.54 N ATOM 190 CA VAL A 888 -24.438 7.582 -14.234 1.00 18.20 C ATOM 191 C VAL A 888 -23.770 8.966 -14.246 1.00 24.37 C ATOM 192 O VAL A 888 -22.561 9.088 -14.464 1.00 25.89 O ATOM 193 CB VAL A 888 -25.186 7.339 -15.575 1.00 21.28 C ATOM 194 CG1 VAL A 888 -24.254 7.601 -16.754 1.00 22.24 C ATOM 195 CG2 VAL A 888 -25.692 5.916 -15.654 1.00 15.20 C ATOM 196 H VAL A 888 -26.337 7.329 -13.197 1.00 0.00 H ATOM 197 N ARG A 889 -24.549 10.013 -13.987 1.00 19.81 N ATOM 198 CA ARG A 889 -23.975 11.368 -13.924 1.00 30.68 C ATOM 199 C ARG A 889 -22.898 11.521 -12.845 1.00 27.68 C ATOM 200 O ARG A 889 -21.876 12.173 -13.071 1.00 34.30 O ATOM 201 CB ARG A 889 -25.087 12.400 -13.700 1.00 32.48 C ATOM 202 CG ARG A 889 -26.164 12.381 -14.778 1.00 38.64 C ATOM 203 CD ARG A 889 -25.978 13.428 -15.848 1.00 54.20 C ATOM 204 NE ARG A 889 -26.136 14.778 -15.316 1.00 57.55 N ATOM 205 CZ ARG A 889 -27.305 15.369 -15.087 1.00 60.51 C ATOM 206 NH1 ARG A 889 -28.446 14.731 -15.328 1.00 58.60 N ATOM 207 NH2 ARG A 889 -27.326 16.604 -14.602 1.00 57.00 N ATOM 208 HE ARG A 889 -25.273 15.316 -15.101 1.00 0.00 H ATOM 209 HH12 ARG A 889 -29.354 15.203 -15.145 1.00 0.00 H ATOM 210 HH11 ARG A 889 -28.430 13.760 -15.699 1.00 0.00 H ATOM 211 HH22 ARG A 889 -28.235 17.076 -14.419 1.00 0.00 H ATOM 212 HH21 ARG A 889 -26.434 17.100 -14.405 1.00 0.00 H ATOM 213 H ARG A 889 -25.567 9.874 -13.828 1.00 0.00 H ATOM 214 N ALA A 890 -23.124 10.932 -11.674 1.00 25.56 N ATOM 215 CA ALA A 890 -22.128 10.943 -10.606 1.00 27.07 C ATOM 216 C ALA A 890 -20.827 10.252 -11.041 1.00 26.25 C ATOM 217 O ALA A 890 -19.720 10.721 -10.732 1.00 27.06 O ATOM 218 CB ALA A 890 -22.692 10.286 -9.342 1.00 26.65 C ATOM 219 H ALA A 890 -24.033 10.452 -11.515 1.00 0.00 H ATOM 220 N VAL A 891 -20.951 9.148 -11.771 1.00 23.03 N ATOM 221 CA VAL A 891 -19.763 8.480 -12.311 1.00 25.13 C ATOM 222 C VAL A 891 -19.041 9.380 -13.316 1.00 30.74 C ATOM 223 O VAL A 891 -17.805 9.458 -13.325 1.00 26.56 O ATOM 224 CB VAL A 891 -20.127 7.136 -12.972 1.00 20.63 C ATOM 225 CG1 VAL A 891 -19.024 6.655 -13.910 1.00 19.38 C ATOM 226 CG2 VAL A 891 -20.415 6.090 -11.904 1.00 19.45 C ATOM 227 H VAL A 891 -21.896 8.756 -11.960 1.00 0.00 H ATOM 228 N LEU A 892 -19.811 10.067 -14.157 1.00 24.62 N ATOM 229 CA LEU A 892 -19.226 11.002 -15.113 1.00 31.08 C ATOM 230 C LEU A 892 -18.462 12.123 -14.404 1.00 31.28 C ATOM 231 O LEU A 892 -17.400 12.547 -14.871 1.00 38.85 O ATOM 232 CB LEU A 892 -20.312 11.592 -16.021 1.00 33.67 C ATOM 233 CG LEU A 892 -20.916 10.604 -17.019 1.00 32.25 C ATOM 234 CD1 LEU A 892 -21.900 11.301 -17.964 1.00 38.51 C ATOM 235 CD2 LEU A 892 -19.829 9.886 -17.796 1.00 34.61 C ATOM 236 H LEU A 892 -20.842 9.936 -14.133 1.00 0.00 H ATOM 237 N GLU A 893 -18.996 12.588 -13.279 1.00 31.56 N ATOM 238 CA GLU A 893 -18.351 13.647 -12.502 1.00 41.81 C ATOM 239 C GLU A 893 -17.011 13.169 -11.932 1.00 41.47 C ATOM 240 O GLU A 893 -15.990 13.857 -12.044 1.00 39.97 O ATOM 241 CB GLU A 893 -19.274 14.120 -11.378 1.00 40.90 C ATOM 242 CG GLU A 893 -18.688 15.219 -10.509 1.00 54.85 C ATOM 243 CD GLU A 893 -19.739 15.947 -9.688 1.00 66.44 C ATOM 244 OE1 GLU A 893 -20.186 15.397 -8.658 1.00 68.61 O ATOM 245 OE2 GLU A 893 -20.120 17.075 -10.073 1.00 73.77 O ATOM 246 H GLU A 893 -19.895 12.189 -12.942 1.00 0.00 H ATOM 247 N LEU A 894 -17.026 11.986 -11.325 1.00 34.86 N ATOM 248 CA LEU A 894 -15.802 11.341 -10.854 1.00 37.06 C ATOM 249 C LEU A 894 -14.778 11.209 -11.976 1.00 38.89 C ATOM 250 O LEU A 894 -13.606 11.577 -11.809 1.00 40.93 O ATOM 251 CB LEU A 894 -16.122 9.963 -10.258 1.00 33.07 C ATOM 252 CG LEU A 894 -14.991 9.135 -9.633 1.00 30.60 C ATOM 253 CD1 LEU A 894 -15.569 8.185 -8.580 1.00 30.77 C ATOM 254 CD2 LEU A 894 -14.206 8.345 -10.677 1.00 31.11 C ATOM 255 H LEU A 894 -17.937 11.505 -11.181 1.00 0.00 H ATOM 256 N LYS A 895 -15.208 10.668 -13.114 1.00 38.89 N ATOM 257 CA LYS A 895 -14.301 10.483 -14.249 1.00 41.53 C ATOM 258 C LYS A 895 -13.702 11.800 -14.731 1.00 51.55 C ATOM 259 O LYS A 895 -12.522 11.863 -15.087 1.00 49.56 O ATOM 260 CB LYS A 895 -15.016 9.796 -15.417 1.00 42.16 C ATOM 261 CG LYS A 895 -15.219 8.293 -15.240 1.00 41.66 C ATOM 262 CD LYS A 895 -15.973 7.677 -16.417 1.00 45.13 C ATOM 263 CE LYS A 895 -15.043 6.912 -17.356 1.00 46.04 C ATOM 264 NZ LYS A 895 -15.811 6.218 -18.434 1.00 43.78 N ATOM 265 HZ1 LYS A 895 -16.477 5.544 -18.005 1.00 0.00 H ATOM 266 HZ2 LYS A 895 -16.338 6.921 -18.990 1.00 0.00 H ATOM 267 HZ3 LYS A 895 -15.151 5.708 -19.055 1.00 0.00 H ATOM 268 H LYS A 895 -16.202 10.373 -13.198 1.00 0.00 H ATOM 269 N ASN A 896 -14.517 12.848 -14.741 1.00 38.13 N ATOM 270 CA ASN A 896 -14.071 14.146 -15.241 1.00 51.13 C ATOM 271 C ASN A 896 -13.056 14.842 -14.347 1.00 53.03 C ATOM 272 O ASN A 896 -12.103 15.443 -14.835 1.00 56.20 O ATOM 273 CB ASN A 896 -15.272 15.074 -15.456 1.00 50.05 C ATOM 274 CG ASN A 896 -16.016 14.769 -16.740 1.00 53.12 C ATOM 275 OD1 ASN A 896 -15.456 14.190 -17.671 1.00 58.18 O ATOM 276 ND2 ASN A 896 -17.281 15.161 -16.799 1.00 55.55 N ATOM 277 HD22 ASN A 896 -17.713 15.647 -15.988 1.00 0.00 H ATOM 278 HD21 ASN A 896 -17.841 14.982 -17.657 1.00 0.00 H ATOM 279 H ASN A 896 -15.489 12.743 -14.387 1.00 0.00 H ATOM 280 N GLU A 897 -13.257 14.773 -13.038 1.00 52.66 N ATOM 281 CA GLU A 897 -12.409 15.545 -12.141 1.00 61.29 C ATOM 282 C GLU A 897 -11.469 14.695 -11.288 1.00 62.25 C ATOM 283 O GLU A 897 -10.974 15.157 -10.256 1.00 68.07 O ATOM 284 CB GLU A 897 -13.272 16.434 -11.235 1.00 65.98 C ATOM 285 CG GLU A 897 -14.116 15.702 -10.212 1.00 61.81 C ATOM 286 CD GLU A 897 -14.984 16.649 -9.400 1.00 75.19 C ATOM 287 OE1 GLU A 897 -15.521 17.615 -9.987 1.00 77.93 O ATOM 288 OE2 GLU A 897 -15.125 16.436 -8.176 1.00 78.11 O ATOM 289 H GLU A 897 -14.015 14.172 -12.655 1.00 0.00 H ATOM 290 N LEU A 898 -11.189 13.471 -11.721 1.00 52.78 N ATOM 291 CA LEU A 898 -10.303 12.619 -10.936 1.00 51.45 C ATOM 292 C LEU A 898 -8.841 13.023 -11.103 1.00 60.14 C ATOM 293 O LEU A 898 -8.073 12.983 -10.142 1.00 61.24 O ATOM 294 CB LEU A 898 -10.469 11.145 -11.302 1.00 47.24 C ATOM 295 CG LEU A 898 -9.640 10.222 -10.396 1.00 40.00 C ATOM 296 CD1 LEU A 898 -9.942 10.499 -8.936 1.00 43.67 C ATOM 297 CD2 LEU A 898 -9.859 8.758 -10.714 1.00 35.61 C ATOM 298 H LEU A 898 -11.598 13.123 -12.612 1.00 0.00 H ATOM 299 N SER A 899 -8.461 13.409 -12.318 1.00 58.72 N ATOM 300 CA SER A 899 -7.070 13.750 -12.615 1.00 62.72 C ATOM 301 C SER A 899 -6.574 14.947 -11.806 1.00 70.14 C ATOM 302 O SER A 899 -5.412 14.987 -11.404 1.00 74.29 O ATOM 303 CB SER A 899 -6.898 14.037 -14.107 1.00 64.89 C ATOM 304 OG SER A 899 -7.599 15.210 -14.478 1.00 71.72 O ATOM 305 HG SER A 899 -7.474 15.376 -15.446 1.00 0.00 H ATOM 306 H SER A 899 -9.171 13.470 -13.076 1.00 0.00 H ATOM 307 N GLN A 900 -7.455 15.914 -11.566 1.00 58.71 N ATOM 308 CA GLN A 900 -7.070 17.145 -10.880 1.00 60.65 C ATOM 309 C GLN A 900 -7.383 17.113 -9.386 1.00 62.88 C ATOM 310 O GLN A 900 -7.062 18.052 -8.659 1.00 65.92 O ATOM 311 CB GLN A 900 -7.762 18.348 -11.528 1.00 60.11 C ATOM 312 H GLN A 900 -8.441 15.791 -11.874 1.00 0.00 H ATOM 313 N LEU A 901 -7.999 16.028 -8.927 1.00 56.76 N ATOM 314 CA LEU A 901 -8.441 15.929 -7.539 1.00 57.63 C ATOM 315 C LEU A 901 -7.306 15.590 -6.566 1.00 62.08 C ATOM 316 O LEU A 901 -6.549 14.644 -6.790 1.00 61.59 O ATOM 317 CB LEU A 901 -9.556 14.883 -7.414 1.00 56.75 C ATOM 318 H LEU A 901 -8.170 15.230 -9.572 1.00 0.00 H ATOM 319 N PRO A 902 -7.193 16.367 -5.476 1.00 73.75 N ATOM 320 CA PRO A 902 -6.280 16.062 -4.366 1.00 76.26 C ATOM 321 C PRO A 902 -6.694 14.786 -3.632 1.00 73.45 C ATOM 322 O PRO A 902 -7.876 14.447 -3.635 1.00 73.09 O ATOM 323 CB PRO A 902 -6.407 17.290 -3.453 1.00 77.33 C ATOM 324 CG PRO A 902 -7.724 17.894 -3.802 1.00 79.46 C ATOM 325 CD PRO A 902 -7.907 17.640 -5.269 1.00 73.89 C ATOM 326 N PRO A 903 -5.729 14.090 -3.011 1.00 72.45 N ATOM 327 CA PRO A 903 -5.949 12.799 -2.343 1.00 68.93 C ATOM 328 C PRO A 903 -7.100 12.790 -1.334 1.00 70.26 C ATOM 329 O PRO A 903 -7.821 11.794 -1.243 1.00 64.94 O ATOM 330 CB PRO A 903 -4.615 12.550 -1.634 1.00 74.75 C ATOM 331 CG PRO A 903 -3.617 13.248 -2.483 1.00 75.58 C ATOM 332 CD PRO A 903 -4.310 14.488 -2.976 1.00 77.06 C ATOM 333 N GLU A 904 -7.272 13.879 -0.591 1.00 72.41 N ATOM 334 CA GLU A 904 -8.305 13.938 0.438 1.00 73.65 C ATOM 335 C GLU A 904 -9.708 13.984 -0.162 1.00 66.93 C ATOM 336 O GLU A 904 -10.695 13.782 0.542 1.00 69.07 O ATOM 337 CB GLU A 904 -8.085 15.151 1.346 1.00 79.84 C ATOM 338 H GLU A 904 -6.659 14.704 -0.746 1.00 0.00 H ATOM 339 N GLY A 905 -9.790 14.245 -1.464 1.00 79.96 N ATOM 340 CA GLY A 905 -11.068 14.348 -2.146 1.00 74.49 C ATOM 341 C GLY A 905 -11.552 13.056 -2.786 1.00 68.79 C ATOM 342 O GLY A 905 -12.657 13.011 -3.329 1.00 67.75 O ATOM 343 H GLY A 905 -8.914 14.379 -2.009 1.00 0.00 H ATOM 344 N TYR A 906 -10.732 12.008 -2.723 1.00 63.98 N ATOM 345 CA TYR A 906 -11.091 10.710 -3.297 1.00 56.85 C ATOM 346 C TYR A 906 -12.345 10.148 -2.642 1.00 53.83 C ATOM 347 O TYR A 906 -13.250 9.667 -3.327 1.00 50.15 O ATOM 348 CB TYR A 906 -9.945 9.702 -3.148 1.00 55.00 C ATOM 349 CG TYR A 906 -8.720 9.996 -3.987 1.00 57.74 C ATOM 350 CD1 TYR A 906 -7.481 9.460 -3.647 1.00 61.40 C ATOM 351 CD2 TYR A 906 -8.798 10.801 -5.117 1.00 61.43 C ATOM 352 CE1 TYR A 906 -6.351 9.724 -4.404 1.00 61.82 C ATOM 353 CE2 TYR A 906 -7.671 11.069 -5.884 1.00 64.60 C ATOM 354 CZ TYR A 906 -6.451 10.529 -5.520 1.00 68.00 C ATOM 355 OH TYR A 906 -5.326 10.789 -6.274 1.00 67.08 O ATOM 356 HH TYR A 906 -4.547 10.327 -5.873 1.00 0.00 H ATOM 357 H TYR A 906 -9.811 12.115 -2.253 1.00 0.00 H ATOM 358 N VAL A 907 -12.392 10.214 -1.315 1.00 50.80 N ATOM 359 CA VAL A 907 -13.524 9.697 -0.554 1.00 52.82 C ATOM 360 C VAL A 907 -14.807 10.450 -0.903 1.00 51.38 C ATOM 361 O VAL A 907 -15.903 9.893 -0.830 1.00 50.84 O ATOM 362 CB VAL A 907 -13.263 9.782 0.970 1.00 54.66 C ATOM 363 CG1 VAL A 907 -13.119 11.230 1.412 1.00 60.95 C ATOM 364 CG2 VAL A 907 -14.365 9.085 1.755 1.00 54.10 C ATOM 365 H VAL A 907 -11.597 10.648 -0.804 1.00 0.00 H ATOM 366 N VAL A 908 -14.666 11.703 -1.321 1.00 53.53 N ATOM 367 CA VAL A 908 -15.825 12.551 -1.564 1.00 55.75 C ATOM 368 C VAL A 908 -16.582 12.150 -2.831 1.00 51.07 C ATOM 369 O VAL A 908 -17.810 12.029 -2.809 1.00 50.06 O ATOM 370 CB VAL A 908 -15.415 14.034 -1.654 1.00 61.94 C ATOM 371 CG1 VAL A 908 -16.625 14.908 -1.942 1.00 59.80 C ATOM 372 CG2 VAL A 908 -14.736 14.469 -0.359 1.00 62.16 C ATOM 373 H VAL A 908 -13.711 12.085 -1.477 1.00 0.00 H ATOM 374 N VAL A 909 -15.856 11.941 -3.926 1.00 54.96 N ATOM 375 CA VAL A 909 -16.491 11.576 -5.187 1.00 51.48 C ATOM 376 C VAL A 909 -17.023 10.150 -5.140 1.00 47.62 C ATOM 377 O VAL A 909 -18.023 9.833 -5.790 1.00 43.52 O ATOM 378 CB VAL A 909 -15.534 11.713 -6.391 1.00 49.09 C ATOM 379 CG1 VAL A 909 -15.265 13.172 -6.696 1.00 58.55 C ATOM 380 CG2 VAL A 909 -14.231 10.960 -6.147 1.00 45.99 C ATOM 381 H VAL A 909 -14.822 12.039 -3.882 1.00 0.00 H ATOM 382 N VAL A 910 -16.369 9.294 -4.364 1.00 38.71 N ATOM 383 CA VAL A 910 -16.800 7.911 -4.268 1.00 38.53 C ATOM 384 C VAL A 910 -18.014 7.801 -3.353 1.00 38.10 C ATOM 385 O VAL A 910 -18.953 7.089 -3.672 1.00 29.08 O ATOM 386 CB VAL A 910 -15.683 6.988 -3.764 1.00 38.16 C ATOM 387 CG1 VAL A 910 -16.242 5.604 -3.450 1.00 33.50 C ATOM 388 CG2 VAL A 910 -14.560 6.894 -4.815 1.00 37.47 C ATOM 389 H VAL A 910 -15.542 9.616 -3.821 1.00 0.00 H ATOM 390 N LYS A 911 -18.002 8.516 -2.228 1.00 37.68 N ATOM 391 CA LYS A 911 -19.142 8.501 -1.325 1.00 36.62 C ATOM 392 C LYS A 911 -20.378 9.017 -2.059 1.00 38.06 C ATOM 393 O LYS A 911 -21.472 8.487 -1.880 1.00 33.60 O ATOM 394 CB LYS A 911 -18.873 9.332 -0.064 1.00 45.42 C ATOM 395 CG LYS A 911 -19.918 9.132 1.027 1.00 48.31 C ATOM 396 CD LYS A 911 -19.584 9.869 2.326 1.00 59.53 C ATOM 397 CE LYS A 911 -20.664 9.607 3.374 1.00 61.66 C ATOM 398 NZ LYS A 911 -20.494 10.397 4.628 1.00 63.49 N ATOM 399 HZ1 LYS A 911 -19.579 10.162 5.063 1.00 0.00 H ATOM 400 HZ2 LYS A 911 -20.522 11.412 4.403 1.00 0.00 H ATOM 401 HZ3 LYS A 911 -21.263 10.166 5.289 1.00 0.00 H ATOM 402 H LYS A 911 -17.168 9.091 -1.993 1.00 0.00 H ATOM 403 N ASN A 912 -20.190 10.022 -2.911 1.00 34.60 N ATOM 404 CA ASN A 912 -21.281 10.577 -3.702 1.00 39.04 C ATOM 405 C ASN A 912 -21.853 9.583 -4.721 1.00 35.53 C ATOM 406 O ASN A 912 -23.057 9.552 -4.957 1.00 27.04 O ATOM 407 CB ASN A 912 -20.810 11.841 -4.422 1.00 43.88 C ATOM 408 CG ASN A 912 -21.945 12.580 -5.110 1.00 52.48 C ATOM 409 OD1 ASN A 912 -22.989 12.861 -4.504 1.00 53.90 O ATOM 410 ND2 ASN A 912 -21.753 12.893 -6.387 1.00 53.15 N ATOM 411 HD22 ASN A 912 -20.861 12.638 -6.857 1.00 0.00 H ATOM 412 HD21 ASN A 912 -22.495 13.393 -6.917 1.00 0.00 H ATOM 413 H ASN A 912 -19.236 10.423 -3.015 1.00 0.00 H ATOM 414 N VAL A 913 -20.986 8.788 -5.343 1.00 31.03 N ATOM 415 CA VAL A 913 -21.465 7.708 -6.193 1.00 23.62 C ATOM 416 C VAL A 913 -22.249 6.717 -5.341 1.00 24.70 C ATOM 417 O VAL A 913 -23.347 6.284 -5.717 1.00 24.65 O ATOM 418 CB VAL A 913 -20.306 6.982 -6.913 1.00 24.85 C ATOM 419 CG1 VAL A 913 -20.804 5.711 -7.549 1.00 19.82 C ATOM 420 CG2 VAL A 913 -19.654 7.901 -7.965 1.00 22.86 C ATOM 421 H VAL A 913 -19.964 8.939 -5.222 1.00 0.00 H ATOM 422 N GLY A 914 -21.696 6.384 -4.172 1.00 22.03 N ATOM 423 CA GLY A 914 -22.322 5.442 -3.267 1.00 22.21 C ATOM 424 C GLY A 914 -23.667 5.932 -2.760 1.00 24.13 C ATOM 425 O GLY A 914 -24.590 5.148 -2.622 1.00 22.27 O ATOM 426 H GLY A 914 -20.788 6.814 -3.903 1.00 0.00 H ATOM 427 N LEU A 915 -23.768 7.232 -2.500 1.00 25.35 N ATOM 428 CA LEU A 915 -25.025 7.840 -2.040 1.00 29.77 C ATOM 429 C LEU A 915 -26.122 7.680 -3.080 1.00 24.44 C ATOM 430 O LEU A 915 -27.293 7.435 -2.744 1.00 21.59 O ATOM 431 CB LEU A 915 -24.843 9.333 -1.753 1.00 33.81 C ATOM 432 CG LEU A 915 -23.848 9.801 -0.693 1.00 41.14 C ATOM 433 CD1 LEU A 915 -24.074 11.262 -0.338 1.00 50.77 C ATOM 434 CD2 LEU A 915 -23.894 8.917 0.540 1.00 44.00 C ATOM 435 H LEU A 915 -22.932 7.838 -2.626 1.00 0.00 H ATOM 436 N THR A 916 -25.756 7.856 -4.344 1.00 25.20 N ATOM 437 CA THR A 916 -26.745 7.754 -5.405 1.00 26.15 C ATOM 438 C THR A 916 -27.127 6.300 -5.591 1.00 22.66 C ATOM 439 O THR A 916 -28.289 6.013 -5.827 1.00 20.16 O ATOM 440 CB THR A 916 -26.258 8.347 -6.730 1.00 26.26 C ATOM 441 OG1 THR A 916 -25.149 7.585 -7.228 1.00 35.72 O ATOM 442 CG2 THR A 916 -25.826 9.789 -6.529 1.00 31.41 C ATOM 443 HG1 THR A 916 -24.411 7.609 -6.568 1.00 0.00 H ATOM 444 H THR A 916 -24.764 8.066 -4.575 1.00 0.00 H ATOM 445 N LEU A 917 -26.172 5.377 -5.449 1.00 20.66 N ATOM 446 CA LEU A 917 -26.526 3.956 -5.499 1.00 21.14 C ATOM 447 C LEU A 917 -27.498 3.594 -4.366 1.00 20.45 C ATOM 448 O LEU A 917 -28.421 2.807 -4.567 1.00 20.50 O ATOM 449 CB LEU A 917 -25.282 3.066 -5.423 1.00 18.78 C ATOM 450 CG LEU A 917 -25.535 1.551 -5.463 1.00 19.12 C ATOM 451 CD1 LEU A 917 -26.346 1.126 -6.718 1.00 18.47 C ATOM 452 CD2 LEU A 917 -24.201 0.767 -5.399 1.00 16.60 C ATOM 453 H LEU A 917 -25.183 5.665 -5.304 1.00 0.00 H ATOM 454 N ARG A 918 -27.297 4.170 -3.184 1.00 19.99 N ATOM 455 CA ARG A 918 -28.178 3.859 -2.048 1.00 21.73 C ATOM 456 C ARG A 918 -29.621 4.216 -2.392 1.00 21.25 C ATOM 457 O ARG A 918 -30.561 3.457 -2.092 1.00 23.85 O ATOM 458 CB ARG A 918 -27.713 4.587 -0.766 1.00 25.35 C ATOM 459 CG ARG A 918 -28.660 4.411 0.437 1.00 31.12 C ATOM 460 CD ARG A 918 -27.977 4.802 1.764 1.00 41.74 C ATOM 461 NE ARG A 918 -28.835 5.624 2.625 1.00 53.80 N ATOM 462 CZ ARG A 918 -29.722 5.139 3.493 1.00 58.43 C ATOM 463 NH1 ARG A 918 -29.881 3.827 3.625 1.00 64.42 N ATOM 464 NH2 ARG A 918 -30.458 5.964 4.230 1.00 56.69 N ATOM 465 HE ARG A 918 -28.744 6.658 2.553 1.00 0.00 H ATOM 466 HH12 ARG A 918 -30.575 3.453 4.304 1.00 0.00 H ATOM 467 HH11 ARG A 918 -29.312 3.174 3.050 1.00 0.00 H ATOM 468 HH22 ARG A 918 -31.149 5.581 4.906 1.00 0.00 H ATOM 469 HH21 ARG A 918 -30.343 6.993 4.131 1.00 0.00 H ATOM 470 H ARG A 918 -26.514 4.843 -3.063 1.00 0.00 H ATOM 471 N LYS A 919 -29.807 5.354 -3.045 1.00 22.96 N ATOM 472 CA LYS A 919 -31.159 5.752 -3.419 1.00 24.14 C ATOM 473 C LYS A 919 -31.730 4.844 -4.500 1.00 21.86 C ATOM 474 O LYS A 919 -32.894 4.465 -4.434 1.00 24.44 O ATOM 475 CB LYS A 919 -31.187 7.213 -3.864 1.00 26.12 C ATOM 476 CG LYS A 919 -31.088 8.175 -2.690 1.00 32.92 C ATOM 477 CD LYS A 919 -30.321 9.418 -3.056 1.00 40.87 C ATOM 478 CE LYS A 919 -31.003 10.164 -4.161 1.00 41.13 C ATOM 479 NZ LYS A 919 -30.316 11.456 -4.459 1.00 47.67 N ATOM 480 HZ1 LYS A 919 -30.320 12.054 -3.608 1.00 0.00 H ATOM 481 HZ2 LYS A 919 -29.335 11.267 -4.747 1.00 0.00 H ATOM 482 HZ3 LYS A 919 -30.817 11.944 -5.229 1.00 0.00 H ATOM 483 H LYS A 919 -28.996 5.958 -3.289 1.00 0.00 H ATOM 484 N LEU A 920 -30.920 4.496 -5.496 1.00 20.23 N ATOM 485 CA LEU A 920 -31.345 3.550 -6.522 1.00 18.28 C ATOM 486 C LEU A 920 -31.782 2.212 -5.923 1.00 18.83 C ATOM 487 O LEU A 920 -32.854 1.699 -6.261 1.00 20.99 O ATOM 488 CB LEU A 920 -30.214 3.322 -7.538 1.00 17.56 C ATOM 489 CG LEU A 920 -30.460 2.287 -8.630 1.00 13.44 C ATOM 490 CD1 LEU A 920 -31.716 2.665 -9.408 1.00 14.93 C ATOM 491 CD2 LEU A 920 -29.230 2.236 -9.574 1.00 13.19 C ATOM 492 H LEU A 920 -29.965 4.906 -5.544 1.00 0.00 H ATOM 493 N ILE A 921 -30.971 1.649 -5.033 1.00 18.46 N ATOM 494 CA ILE A 921 -31.349 0.400 -4.360 1.00 23.20 C ATOM 495 C ILE A 921 -32.674 0.582 -3.623 1.00 23.70 C ATOM 496 O ILE A 921 -33.549 -0.287 -3.661 1.00 28.09 O ATOM 497 CB ILE A 921 -30.255 -0.071 -3.356 1.00 25.26 C ATOM 498 CG1 ILE A 921 -28.963 -0.377 -4.115 1.00 25.89 C ATOM 499 CG2 ILE A 921 -30.705 -1.307 -2.604 1.00 26.91 C ATOM 500 CD1 ILE A 921 -29.140 -1.398 -5.220 1.00 27.76 C ATOM 501 H ILE A 921 -30.059 2.098 -4.811 1.00 0.00 H ATOM 502 N GLY A 922 -32.837 1.731 -2.986 1.00 20.72 N ATOM 503 CA GLY A 922 -34.088 2.023 -2.296 1.00 26.39 C ATOM 504 C GLY A 922 -35.293 2.062 -3.230 1.00 28.23 C ATOM 505 O GLY A 922 -36.331 1.459 -2.954 1.00 29.74 O ATOM 506 H GLY A 922 -32.067 2.430 -2.978 1.00 0.00 H ATOM 507 N SER A 923 -35.153 2.770 -4.342 1.00 24.84 N ATOM 508 CA SER A 923 -36.252 2.927 -5.295 1.00 27.21 C ATOM 509 C SER A 923 -36.615 1.603 -5.965 1.00 25.58 C ATOM 510 O SER A 923 -37.771 1.354 -6.251 1.00 28.18 O ATOM 511 CB SER A 923 -35.903 3.977 -6.355 1.00 26.56 C ATOM 512 OG SER A 923 -34.836 3.535 -7.183 1.00 24.91 O ATOM 513 HG SER A 923 -34.035 3.369 -6.626 1.00 0.00 H ATOM 514 H SER A 923 -34.239 3.225 -4.542 1.00 0.00 H ATOM 515 N VAL A 924 -35.630 0.756 -6.226 1.00 20.10 N ATOM 516 CA VAL A 924 -35.916 -0.555 -6.785 1.00 20.89 C ATOM 517 C VAL A 924 -36.595 -1.442 -5.729 1.00 28.50 C ATOM 518 O VAL A 924 -37.502 -2.222 -6.049 1.00 27.92 O ATOM 519 CB VAL A 924 -34.633 -1.231 -7.307 1.00 20.25 C ATOM 520 CG1 VAL A 924 -34.879 -2.691 -7.661 1.00 22.99 C ATOM 521 CG2 VAL A 924 -34.082 -0.454 -8.524 1.00 21.36 C ATOM 522 H VAL A 924 -34.646 1.031 -6.030 1.00 0.00 H ATOM 523 N ASP A 925 -36.164 -1.307 -4.473 1.00 23.65 N ATOM 524 CA ASP A 925 -36.731 -2.107 -3.378 1.00 29.40 C ATOM 525 C ASP A 925 -38.216 -1.834 -3.240 1.00 25.09 C ATOM 526 O ASP A 925 -39.015 -2.751 -3.089 1.00 35.91 O ATOM 527 CB ASP A 925 -36.017 -1.817 -2.050 1.00 29.38 C ATOM 528 CG ASP A 925 -34.721 -2.575 -1.916 1.00 29.60 C ATOM 529 OD1 ASP A 925 -33.938 -2.262 -0.992 1.00 32.03 O ATOM 530 OD2 ASP A 925 -34.483 -3.488 -2.739 1.00 32.45 O ATOM 531 H ASP A 925 -35.411 -0.621 -4.265 1.00 0.00 H ATOM 532 N ASP A 926 -38.583 -0.567 -3.317 1.00 30.23 N ATOM 533 CA ASP A 926 -39.999 -0.176 -3.230 1.00 35.06 C ATOM 534 C ASP A 926 -40.861 -0.693 -4.384 1.00 39.55 C ATOM 535 O ASP A 926 -42.068 -0.978 -4.231 1.00 31.42 O ATOM 536 CB ASP A 926 -40.090 1.343 -3.170 1.00 38.12 C ATOM 537 CG ASP A 926 -39.545 1.897 -1.876 1.00 45.08 C ATOM 538 OD1 ASP A 926 -39.601 1.173 -0.857 1.00 52.28 O ATOM 539 OD2 ASP A 926 -39.061 3.046 -1.876 1.00 46.99 O ATOM 540 H ASP A 926 -37.858 0.168 -3.441 1.00 0.00 H ATOM 541 N LEU A 927 -40.247 -0.786 -5.555 1.00 30.14 N ATOM 542 CA LEU A 927 -40.957 -1.183 -6.759 1.00 31.34 C ATOM 543 C LEU A 927 -41.135 -2.690 -6.861 1.00 33.51 C ATOM 544 O LEU A 927 -42.151 -3.162 -7.367 1.00 35.43 O ATOM 545 CB LEU A 927 -40.203 -0.668 -7.993 1.00 29.41 C ATOM 546 CG LEU A 927 -40.889 -0.837 -9.338 1.00 35.02 C ATOM 547 CD1 LEU A 927 -42.140 0.030 -9.392 1.00 38.69 C ATOM 548 CD2 LEU A 927 -39.914 -0.483 -10.452 1.00 29.46 C ATOM 549 H LEU A 927 -39.231 -0.569 -5.614 1.00 0.00 H ATOM 550 N LEU A 928 -40.144 -3.433 -6.370 1.00 28.90 N ATOM 551 CA LEU A 928 -40.056 -4.886 -6.543 1.00 30.63 C ATOM 552 C LEU A 928 -41.334 -5.679 -6.235 1.00 41.30 C ATOM 553 O LEU A 928 -41.671 -6.596 -6.987 1.00 41.20 O ATOM 554 CB LEU A 928 -38.901 -5.445 -5.697 1.00 30.54 C ATOM 555 CG LEU A 928 -37.561 -5.561 -6.426 1.00 30.57 C ATOM 556 CD1 LEU A 928 -36.473 -6.041 -5.478 1.00 28.70 C ATOM 557 CD2 LEU A 928 -37.681 -6.498 -7.622 1.00 31.52 C ATOM 558 H LEU A 928 -39.391 -2.956 -5.834 1.00 0.00 H ATOM 559 N PRO A 929 -42.038 -5.351 -5.132 1.00 39.40 N ATOM 560 CA PRO A 929 -43.274 -6.095 -4.844 1.00 40.97 C ATOM 561 C PRO A 929 -44.355 -6.010 -5.925 1.00 43.66 C ATOM 562 O PRO A 929 -45.210 -6.895 -5.978 1.00 49.31 O ATOM 563 CB PRO A 929 -43.780 -5.430 -3.562 1.00 42.73 C ATOM 564 CG PRO A 929 -42.575 -4.940 -2.897 1.00 40.52 C ATOM 565 CD PRO A 929 -41.677 -4.465 -4.006 1.00 36.42 C ATOM 566 N SER A 930 -44.326 -4.971 -6.757 1.00 44.68 N ATOM 567 CA SER A 930 -45.358 -4.798 -7.779 1.00 42.93 C ATOM 568 C SER A 930 -44.913 -5.284 -9.160 1.00 48.30 C ATOM 569 O SER A 930 -45.666 -5.198 -10.129 1.00 45.34 O ATOM 570 CB SER A 930 -45.788 -3.330 -7.861 1.00 46.37 C ATOM 571 OG SER A 930 -44.808 -2.536 -8.509 1.00 49.82 O ATOM 572 HG SER A 930 -43.958 -2.586 -8.004 1.00 0.00 H ATOM 573 H SER A 930 -43.559 -4.273 -6.679 1.00 0.00 H ATOM 574 N LEU A 931 -43.690 -5.795 -9.255 1.00 38.11 N ATOM 575 CA LEU A 931 -43.216 -6.399 -10.505 1.00 39.47 C ATOM 576 C LEU A 931 -43.521 -7.893 -10.524 1.00 40.67 C ATOM 577 O LEU A 931 -43.721 -8.486 -9.468 1.00 41.99 O ATOM 578 CB LEU A 931 -41.714 -6.163 -10.676 1.00 30.20 C ATOM 579 CG LEU A 931 -41.309 -4.688 -10.694 1.00 30.16 C ATOM 580 CD1 LEU A 931 -39.785 -4.559 -10.851 1.00 22.32 C ATOM 581 CD2 LEU A 931 -42.040 -3.964 -11.804 1.00 33.46 C ATOM 582 H LEU A 931 -43.058 -5.766 -8.429 1.00 0.00 H ATOM 583 N PRO A 932 -43.567 -8.511 -11.724 1.00 42.31 N ATOM 584 CA PRO A 932 -43.868 -9.949 -11.763 1.00 43.71 C ATOM 585 C PRO A 932 -42.855 -10.770 -10.968 1.00 47.59 C ATOM 586 O PRO A 932 -41.678 -10.408 -10.915 1.00 34.82 O ATOM 587 CB PRO A 932 -43.819 -10.299 -13.262 1.00 44.21 C ATOM 588 CG PRO A 932 -43.415 -9.048 -13.983 1.00 38.79 C ATOM 589 CD PRO A 932 -43.616 -7.892 -13.059 1.00 40.63 C ATOM 590 N SER A 933 -43.316 -11.850 -10.341 1.00 52.30 N ATOM 591 CA SER A 933 -42.463 -12.633 -9.447 1.00 50.60 C ATOM 592 C SER A 933 -41.274 -13.222 -10.184 1.00 50.40 C ATOM 593 O SER A 933 -40.208 -13.419 -9.599 1.00 50.12 O ATOM 594 CB SER A 933 -43.263 -13.754 -8.773 1.00 63.48 C ATOM 595 OG SER A 933 -43.630 -14.753 -9.708 1.00 62.16 O ATOM 596 HG SER A 933 -44.188 -14.349 -10.419 1.00 0.00 H ATOM 597 H SER A 933 -44.303 -12.143 -10.490 1.00 0.00 H ATOM 598 N SER A 934 -41.443 -13.492 -11.474 1.00 57.60 N ATOM 599 CA SER A 934 -40.353 -14.066 -12.258 1.00 54.42 C ATOM 600 C SER A 934 -39.257 -13.036 -12.540 1.00 45.32 C ATOM 601 O SER A 934 -38.143 -13.399 -12.904 1.00 44.53 O ATOM 602 CB SER A 934 -40.883 -14.651 -13.572 1.00 60.54 C ATOM 603 OG SER A 934 -41.529 -13.664 -14.353 1.00 58.49 O ATOM 604 HG SER A 934 -42.292 -13.290 -13.845 1.00 0.00 H ATOM 605 H SER A 934 -42.357 -13.293 -11.928 1.00 0.00 H ATOM 606 N SER A 935 -39.582 -11.757 -12.369 1.00 38.53 N ATOM 607 CA SER A 935 -38.636 -10.671 -12.640 1.00 38.08 C ATOM 608 C SER A 935 -37.752 -10.333 -11.436 1.00 36.58 C ATOM 609 O SER A 935 -36.639 -9.818 -11.591 1.00 31.54 O ATOM 610 CB SER A 935 -39.394 -9.409 -13.075 1.00 37.24 C ATOM 611 OG SER A 935 -40.029 -9.588 -14.328 1.00 43.47 O ATOM 612 HG SER A 935 -39.348 -9.796 -15.015 1.00 0.00 H ATOM 613 H SER A 935 -40.537 -11.521 -12.032 1.00 0.00 H ATOM 614 N ARG A 936 -38.255 -10.624 -10.239 1.00 35.94 N ATOM 615 CA ARG A 936 -37.669 -10.077 -9.018 1.00 37.28 C ATOM 616 C ARG A 936 -36.271 -10.613 -8.696 1.00 39.19 C ATOM 617 O ARG A 936 -35.407 -9.850 -8.245 1.00 32.77 O ATOM 618 CB ARG A 936 -38.612 -10.325 -7.835 1.00 38.43 C ATOM 619 CG ARG A 936 -40.030 -9.770 -8.050 1.00 44.11 C ATOM 620 CD ARG A 936 -40.827 -9.745 -6.746 1.00 49.71 C ATOM 621 NE ARG A 936 -42.223 -9.352 -6.959 1.00 56.53 N ATOM 622 CZ ARG A 936 -43.277 -10.119 -6.680 1.00 61.54 C ATOM 623 NH1 ARG A 936 -43.109 -11.333 -6.168 1.00 68.29 N ATOM 624 NH2 ARG A 936 -44.506 -9.672 -6.908 1.00 63.19 N ATOM 625 HE ARG A 936 -42.404 -8.408 -7.356 1.00 0.00 H ATOM 626 HH12 ARG A 936 -43.936 -11.926 -5.953 1.00 0.00 H ATOM 627 HH11 ARG A 936 -42.150 -11.691 -5.982 1.00 0.00 H ATOM 628 HH22 ARG A 936 -45.327 -10.272 -6.689 1.00 0.00 H ATOM 629 HH21 ARG A 936 -44.648 -8.721 -7.305 1.00 0.00 H ATOM 630 H ARG A 936 -39.081 -11.253 -10.172 1.00 0.00 H ATOM 631 N THR A 937 -36.023 -11.900 -8.934 1.00 40.22 N ATOM 632 CA THR A 937 -34.742 -12.479 -8.528 1.00 48.39 C ATOM 633 C THR A 937 -33.569 -11.988 -9.381 1.00 42.94 C ATOM 634 O THR A 937 -32.468 -11.781 -8.860 1.00 42.15 O ATOM 635 CB THR A 937 -34.761 -14.034 -8.562 1.00 60.39 C ATOM 636 OG1 THR A 937 -34.632 -14.504 -9.911 1.00 60.41 O ATOM 637 CG2 THR A 937 -36.038 -14.566 -7.943 1.00 58.17 C ATOM 638 HG1 THR A 937 -34.646 -15.494 -9.917 1.00 0.00 H ATOM 639 H THR A 937 -36.737 -12.491 -9.406 1.00 0.00 H ATOM 640 N GLU A 938 -33.787 -11.811 -10.681 1.00 36.58 N ATOM 641 CA GLU A 938 -32.724 -11.314 -11.548 1.00 38.04 C ATOM 642 C GLU A 938 -32.429 -9.852 -11.215 1.00 32.13 C ATOM 643 O GLU A 938 -31.270 -9.424 -11.198 1.00 31.62 O ATOM 644 CB GLU A 938 -33.107 -11.463 -13.021 1.00 43.36 C ATOM 645 H GLU A 938 -34.722 -12.028 -11.082 1.00 0.00 H ATOM 646 N ILE A 939 -33.486 -9.088 -10.945 1.00 28.56 N ATOM 647 CA ILE A 939 -33.319 -7.696 -10.538 1.00 24.59 C ATOM 648 C ILE A 939 -32.563 -7.622 -9.210 1.00 29.37 C ATOM 649 O ILE A 939 -31.681 -6.781 -9.040 1.00 21.11 O ATOM 650 CB ILE A 939 -34.668 -6.984 -10.432 1.00 25.82 C ATOM 651 CG1 ILE A 939 -35.234 -6.779 -11.841 1.00 23.28 C ATOM 652 CG2 ILE A 939 -34.529 -5.654 -9.706 1.00 22.25 C ATOM 653 CD1 ILE A 939 -36.644 -6.234 -11.876 1.00 23.11 C ATOM 654 H ILE A 939 -34.443 -9.488 -11.025 1.00 0.00 H ATOM 655 N GLU A 940 -32.896 -8.518 -8.280 1.00 26.44 N ATOM 656 CA GLU A 940 -32.168 -8.611 -7.016 1.00 33.61 C ATOM 657 C GLU A 940 -30.691 -8.916 -7.222 1.00 29.30 C ATOM 658 O GLU A 940 -29.835 -8.386 -6.501 1.00 30.16 O ATOM 659 CB GLU A 940 -32.798 -9.673 -6.104 1.00 34.97 C ATOM 660 CG GLU A 940 -34.039 -9.186 -5.399 1.00 37.47 C ATOM 661 CD GLU A 940 -34.744 -10.274 -4.582 1.00 48.69 C ATOM 662 OE1 GLU A 940 -34.272 -11.429 -4.568 1.00 51.76 O ATOM 663 OE2 GLU A 940 -35.776 -9.961 -3.959 1.00 51.64 O ATOM 664 H GLU A 940 -33.691 -9.165 -8.458 1.00 0.00 H ATOM 665 N GLY A 941 -30.393 -9.774 -8.194 1.00 33.98 N ATOM 666 CA GLY A 941 -29.018 -10.122 -8.510 1.00 33.16 C ATOM 667 C GLY A 941 -28.247 -8.924 -9.042 1.00 32.46 C ATOM 668 O GLY A 941 -27.078 -8.709 -8.688 1.00 23.85 O ATOM 669 H GLY A 941 -31.164 -10.207 -8.742 1.00 0.00 H ATOM 670 N THR A 942 -28.905 -8.131 -9.880 1.00 25.57 N ATOM 671 CA THR A 942 -28.286 -6.922 -10.431 1.00 25.03 C ATOM 672 C THR A 942 -28.033 -5.888 -9.335 1.00 22.73 C ATOM 673 O THR A 942 -27.018 -5.188 -9.357 1.00 20.73 O ATOM 674 CB THR A 942 -29.156 -6.309 -11.551 1.00 22.75 C ATOM 675 OG1 THR A 942 -29.397 -7.302 -12.553 1.00 25.99 O ATOM 676 CG2 THR A 942 -28.451 -5.111 -12.202 1.00 18.70 C ATOM 677 HG1 THR A 942 -29.870 -8.071 -12.147 1.00 0.00 H ATOM 678 H THR A 942 -29.880 -8.373 -10.151 1.00 0.00 H ATOM 679 N GLN A 943 -28.942 -5.793 -8.364 1.00 20.40 N ATOM 680 CA GLN A 943 -28.695 -4.947 -7.196 1.00 20.96 C ATOM 681 C GLN A 943 -27.434 -5.375 -6.467 1.00 23.38 C ATOM 682 O GLN A 943 -26.617 -4.542 -6.080 1.00 21.79 O ATOM 683 CB GLN A 943 -29.871 -4.984 -6.217 1.00 22.54 C ATOM 684 CG GLN A 943 -31.095 -4.195 -6.644 1.00 18.29 C ATOM 685 CD GLN A 943 -32.220 -4.385 -5.664 1.00 25.35 C ATOM 686 OE1 GLN A 943 -32.731 -5.497 -5.508 1.00 32.18 O ATOM 687 NE2 GLN A 943 -32.610 -3.310 -4.983 1.00 26.08 N ATOM 688 HE22 GLN A 943 -32.148 -2.393 -5.150 1.00 0.00 H ATOM 689 HE21 GLN A 943 -33.376 -3.387 -4.284 1.00 0.00 H ATOM 690 H GLN A 943 -29.833 -6.324 -8.437 1.00 0.00 H ATOM 691 N LYS A 944 -27.275 -6.683 -6.275 1.00 23.15 N ATOM 692 CA LYS A 944 -26.080 -7.203 -5.601 1.00 28.73 C ATOM 693 C LYS A 944 -24.818 -7.015 -6.441 1.00 25.86 C ATOM 694 O LYS A 944 -23.723 -6.856 -5.898 1.00 24.41 O ATOM 695 CB LYS A 944 -26.266 -8.681 -5.261 1.00 29.81 C ATOM 696 CG LYS A 944 -27.453 -8.945 -4.348 1.00 43.34 C ATOM 697 CD LYS A 944 -27.013 -9.299 -2.936 1.00 51.48 C ATOM 698 CE LYS A 944 -28.213 -9.387 -2.004 1.00 53.70 C ATOM 699 NZ LYS A 944 -29.410 -9.944 -2.703 1.00 63.67 N ATOM 700 HZ1 LYS A 944 -29.659 -9.329 -3.504 1.00 0.00 H ATOM 701 HZ2 LYS A 944 -29.193 -10.899 -3.052 1.00 0.00 H ATOM 702 HZ3 LYS A 944 -30.208 -9.990 -2.038 1.00 0.00 H ATOM 703 H LYS A 944 -28.006 -7.344 -6.607 1.00 0.00 H ATOM 704 N LEU A 945 -24.968 -7.047 -7.758 1.00 24.20 N ATOM 705 CA LEU A 945 -23.855 -6.763 -8.656 1.00 24.59 C ATOM 706 C LEU A 945 -23.395 -5.306 -8.528 1.00 23.52 C ATOM 707 O LEU A 945 -22.183 -5.035 -8.516 1.00 21.37 O ATOM 708 CB LEU A 945 -24.251 -7.073 -10.099 1.00 24.83 C ATOM 709 CG LEU A 945 -23.204 -6.702 -11.149 1.00 24.50 C ATOM 710 CD1 LEU A 945 -21.848 -7.384 -10.886 1.00 28.94 C ATOM 711 CD2 LEU A 945 -23.728 -7.000 -12.561 1.00 25.65 C ATOM 712 H LEU A 945 -25.899 -7.280 -8.159 1.00 0.00 H ATOM 713 N LEU A 946 -24.358 -4.375 -8.429 1.00 20.02 N ATOM 714 CA LEU A 946 -24.023 -2.960 -8.208 1.00 16.22 C ATOM 715 C LEU A 946 -23.277 -2.800 -6.874 1.00 22.01 C ATOM 716 O LEU A 946 -22.298 -2.057 -6.795 1.00 22.28 O ATOM 717 CB LEU A 946 -25.276 -2.084 -8.222 1.00 17.03 C ATOM 718 CG LEU A 946 -25.988 -1.998 -9.585 1.00 16.72 C ATOM 719 CD1 LEU A 946 -27.203 -1.114 -9.467 1.00 16.35 C ATOM 720 CD2 LEU A 946 -25.030 -1.420 -10.602 1.00 20.17 C ATOM 721 H LEU A 946 -25.355 -4.659 -8.510 1.00 0.00 H ATOM 722 N ASN A 947 -23.727 -3.502 -5.833 1.00 18.48 N ATOM 723 CA ASN A 947 -23.019 -3.460 -4.536 1.00 23.53 C ATOM 724 C ASN A 947 -21.575 -3.969 -4.662 1.00 24.29 C ATOM 725 O ASN A 947 -20.649 -3.419 -4.052 1.00 25.13 O ATOM 726 CB ASN A 947 -23.763 -4.276 -3.470 1.00 22.57 C ATOM 727 CG ASN A 947 -24.988 -3.575 -2.932 1.00 31.30 C ATOM 728 OD1 ASN A 947 -25.164 -2.357 -3.095 1.00 26.27 O ATOM 729 ND2 ASN A 947 -25.866 -4.354 -2.280 1.00 29.22 N ATOM 730 HD22 ASN A 947 -25.676 -5.370 -2.168 1.00 0.00 H ATOM 731 HD21 ASN A 947 -26.736 -3.941 -1.887 1.00 0.00 H ATOM 732 H ASN A 947 -24.583 -4.084 -5.935 1.00 0.00 H ATOM 733 N LYS A 948 -21.390 -5.022 -5.450 1.00 24.16 N ATOM 734 CA LYS A 948 -20.064 -5.594 -5.678 1.00 28.29 C ATOM 735 C LYS A 948 -19.187 -4.612 -6.454 1.00 25.57 C ATOM 736 O LYS A 948 -18.003 -4.446 -6.152 1.00 24.50 O ATOM 737 CB LYS A 948 -20.188 -6.918 -6.427 1.00 30.39 C ATOM 738 CG LYS A 948 -18.856 -7.541 -6.863 1.00 35.85 C ATOM 739 CD LYS A 948 -19.117 -8.804 -7.692 1.00 42.06 C ATOM 740 CE LYS A 948 -17.865 -9.250 -8.448 1.00 58.33 C ATOM 741 NZ LYS A 948 -18.176 -10.311 -9.458 1.00 66.96 N ATOM 742 HZ1 LYS A 948 -18.580 -11.139 -8.976 1.00 0.00 H ATOM 743 HZ2 LYS A 948 -18.861 -9.941 -10.148 1.00 0.00 H ATOM 744 HZ3 LYS A 948 -17.302 -10.587 -9.950 1.00 0.00 H ATOM 745 H LYS A 948 -22.213 -5.452 -5.919 1.00 0.00 H ATOM 746 N ASP A 949 -19.789 -3.942 -7.434 1.00 24.10 N ATOM 747 CA ASP A 949 -19.100 -2.899 -8.197 1.00 23.71 C ATOM 748 C ASP A 949 -18.686 -1.742 -7.306 1.00 21.89 C ATOM 749 O ASP A 949 -17.598 -1.207 -7.460 1.00 22.40 O ATOM 750 CB ASP A 949 -19.987 -2.333 -9.318 1.00 21.73 C ATOM 751 CG ASP A 949 -20.308 -3.334 -10.402 1.00 25.04 C ATOM 752 OD1 ASP A 949 -19.606 -4.366 -10.547 1.00 23.32 O ATOM 753 OD2 ASP A 949 -21.276 -3.048 -11.147 1.00 22.13 O ATOM 754 H ASP A 949 -20.778 -4.166 -7.665 1.00 0.00 H ATOM 755 N LEU A 950 -19.569 -1.306 -6.402 1.00 17.88 N ATOM 756 CA LEU A 950 -19.199 -0.200 -5.527 1.00 20.29 C ATOM 757 C LEU A 950 -18.076 -0.643 -4.584 1.00 26.72 C ATOM 758 O LEU A 950 -17.154 0.133 -4.286 1.00 26.09 O ATOM 759 CB LEU A 950 -20.396 0.311 -4.711 1.00 22.03 C ATOM 760 CG LEU A 950 -20.069 1.486 -3.771 1.00 27.21 C ATOM 761 CD1 LEU A 950 -19.704 2.760 -4.529 1.00 22.28 C ATOM 762 CD2 LEU A 950 -21.224 1.760 -2.815 1.00 27.56 C ATOM 763 H LEU A 950 -20.507 -1.749 -6.324 1.00 0.00 H ATOM 764 N ALA A 951 -18.145 -1.886 -4.122 1.00 21.97 N ATOM 765 CA ALA A 951 -17.083 -2.372 -3.220 1.00 27.31 C ATOM 766 C ALA A 951 -15.737 -2.324 -3.932 1.00 31.43 C ATOM 767 O ALA A 951 -14.711 -1.925 -3.345 1.00 31.68 O ATOM 768 CB ALA A 951 -17.383 -3.781 -2.742 1.00 27.15 C ATOM 769 H ALA A 951 -18.935 -2.507 -4.391 1.00 0.00 H ATOM 770 N GLU A 952 -15.744 -2.729 -5.197 1.00 27.15 N ATOM 771 CA GLU A 952 -14.547 -2.660 -6.016 1.00 31.58 C ATOM 772 C GLU A 952 -14.043 -1.226 -6.163 1.00 32.85 C ATOM 773 O GLU A 952 -12.852 -0.970 -5.986 1.00 29.47 O ATOM 774 CB GLU A 952 -14.809 -3.293 -7.385 1.00 29.53 C ATOM 775 CG GLU A 952 -13.587 -3.467 -8.264 1.00 45.05 C ATOM 776 CD GLU A 952 -12.728 -4.666 -7.864 1.00 52.21 C ATOM 777 OE1 GLU A 952 -11.745 -4.961 -8.583 1.00 55.18 O ATOM 778 OE2 GLU A 952 -13.040 -5.319 -6.844 1.00 55.03 O ATOM 779 H GLU A 952 -16.623 -3.102 -5.608 1.00 0.00 H ATOM 780 N LEU A 953 -14.928 -0.283 -6.479 1.00 24.09 N ATOM 781 CA LEU A 953 -14.521 1.123 -6.570 1.00 25.27 C ATOM 782 C LEU A 953 -13.923 1.638 -5.252 1.00 29.21 C ATOM 783 O LEU A 953 -12.924 2.383 -5.251 1.00 30.79 O ATOM 784 CB LEU A 953 -15.718 2.007 -6.978 1.00 21.64 C ATOM 785 CG LEU A 953 -15.515 3.529 -6.962 1.00 22.67 C ATOM 786 CD1 LEU A 953 -14.379 3.957 -7.914 1.00 22.70 C ATOM 787 CD2 LEU A 953 -16.806 4.241 -7.355 1.00 19.62 C ATOM 788 H LEU A 953 -15.917 -0.546 -6.663 1.00 0.00 H ATOM 789 N ILE A 954 -14.538 1.267 -4.131 1.00 23.97 N ATOM 790 CA ILE A 954 -14.046 1.702 -2.829 1.00 27.97 C ATOM 791 C ILE A 954 -12.650 1.148 -2.588 1.00 34.37 C ATOM 792 O ILE A 954 -11.748 1.866 -2.124 1.00 37.92 O ATOM 793 CB ILE A 954 -14.987 1.256 -1.688 1.00 32.15 C ATOM 794 CG1 ILE A 954 -16.296 2.045 -1.762 1.00 27.07 C ATOM 795 CG2 ILE A 954 -14.353 1.488 -0.329 1.00 34.79 C ATOM 796 CD1 ILE A 954 -17.362 1.505 -0.839 1.00 31.19 C ATOM 797 H ILE A 954 -15.380 0.659 -4.185 1.00 0.00 H ATOM 798 N ASN A 955 -12.474 -0.126 -2.916 1.00 27.79 N ATOM 799 CA ASN A 955 -11.158 -0.754 -2.838 1.00 33.30 C ATOM 800 C ASN A 955 -10.119 0.025 -3.645 1.00 36.98 C ATOM 801 O ASN A 955 -9.032 0.321 -3.126 1.00 35.59 O ATOM 802 CB ASN A 955 -11.228 -2.206 -3.314 1.00 34.26 C ATOM 803 CG ASN A 955 -9.876 -2.917 -3.232 1.00 44.48 C ATOM 804 OD1 ASN A 955 -9.171 -3.050 -4.231 1.00 42.88 O ATOM 805 ND2 ASN A 955 -9.519 -3.375 -2.039 1.00 46.43 N ATOM 806 HD22 ASN A 955 -10.147 -3.240 -1.221 1.00 0.00 H ATOM 807 HD21 ASN A 955 -8.611 -3.869 -1.922 1.00 0.00 H ATOM 808 H ASN A 955 -13.289 -0.688 -3.235 1.00 0.00 H ATOM 809 N LYS A 956 -10.450 0.382 -4.891 1.00 32.03 N ATOM 810 CA LYS A 956 -9.495 1.117 -5.745 1.00 34.76 C ATOM 811 C LYS A 956 -9.231 2.519 -5.193 1.00 38.03 C ATOM 812 O LYS A 956 -8.105 3.027 -5.259 1.00 39.31 O ATOM 813 CB LYS A 956 -9.988 1.219 -7.200 1.00 30.34 C ATOM 814 CG LYS A 956 -10.286 -0.120 -7.887 1.00 31.18 C ATOM 815 CD LYS A 956 -9.246 -1.184 -7.532 1.00 34.01 C ATOM 816 CE LYS A 956 -9.588 -2.527 -8.171 1.00 39.90 C ATOM 817 NZ LYS A 956 -9.040 -3.677 -7.380 1.00 42.14 N ATOM 818 HZ1 LYS A 956 -8.005 -3.596 -7.324 1.00 0.00 H ATOM 819 HZ2 LYS A 956 -9.442 -3.660 -6.421 1.00 0.00 H ATOM 820 HZ3 LYS A 956 -9.294 -4.570 -7.848 1.00 0.00 H ATOM 821 H LYS A 956 -11.391 0.139 -5.263 1.00 0.00 H ATOM 822 N MET A 957 -10.265 3.148 -4.645 1.00 28.21 N ATOM 823 CA MET A 957 -10.108 4.451 -3.999 1.00 34.30 C ATOM 824 C MET A 957 -9.115 4.379 -2.831 1.00 42.59 C ATOM 825 O MET A 957 -8.308 5.294 -2.630 1.00 46.90 O ATOM 826 CB MET A 957 -11.457 4.972 -3.490 1.00 34.15 C ATOM 827 CG MET A 957 -11.358 6.225 -2.625 1.00 35.90 C ATOM 828 SD MET A 957 -12.737 6.397 -1.461 1.00 49.31 S ATOM 829 CE MET A 957 -12.486 4.965 -0.420 1.00 39.03 C ATOM 830 H MET A 957 -11.205 2.705 -4.676 1.00 0.00 H ATOM 831 N ARG A 958 -9.196 3.300 -2.059 1.00 36.01 N ATOM 832 CA ARG A 958 -8.315 3.110 -0.912 1.00 45.27 C ATOM 833 C ARG A 958 -6.876 2.937 -1.384 1.00 49.22 C ATOM 834 O ARG A 958 -5.944 3.486 -0.782 1.00 50.19 O ATOM 835 CB ARG A 958 -8.745 1.898 -0.080 1.00 45.25 C ATOM 836 CG ARG A 958 -10.060 2.076 0.676 1.00 49.81 C ATOM 837 CD ARG A 958 -9.851 2.682 2.050 1.00 57.08 C ATOM 838 NE ARG A 958 -10.355 4.051 2.162 1.00 65.88 N ATOM 839 CZ ARG A 958 -11.430 4.403 2.867 1.00 69.77 C ATOM 840 NH1 ARG A 958 -12.132 3.486 3.525 1.00 70.24 N ATOM 841 NH2 ARG A 958 -11.807 5.676 2.916 1.00 69.42 N ATOM 842 HE ARG A 958 -9.840 4.800 1.657 1.00 0.00 H ATOM 843 HH12 ARG A 958 -12.970 3.767 4.073 1.00 0.00 H ATOM 844 HH11 ARG A 958 -11.843 2.487 3.492 1.00 0.00 H ATOM 845 HH22 ARG A 958 -12.646 5.949 3.467 1.00 0.00 H ATOM 846 HH21 ARG A 958 -11.263 6.399 2.404 1.00 0.00 H ATOM 847 H ARG A 958 -9.906 2.572 -2.278 1.00 0.00 H ATOM 848 N LEU A 959 -6.702 2.169 -2.457 1.00 38.55 N ATOM 849 CA LEU A 959 -5.379 1.976 -3.044 1.00 47.34 C ATOM 850 C LEU A 959 -4.832 3.304 -3.557 1.00 50.72 C ATOM 851 O LEU A 959 -3.662 3.621 -3.342 1.00 52.34 O ATOM 852 CB LEU A 959 -5.417 0.943 -4.172 1.00 43.92 C ATOM 853 CG LEU A 959 -5.698 -0.506 -3.766 1.00 44.79 C ATOM 854 CD1 LEU A 959 -5.819 -1.404 -4.993 1.00 40.47 C ATOM 855 CD2 LEU A 959 -4.619 -1.025 -2.820 1.00 54.83 C ATOM 856 H LEU A 959 -7.524 1.697 -2.885 1.00 0.00 H ATOM 857 N ALA A 960 -5.681 4.083 -4.222 1.00 38.83 N ATOM 858 CA ALA A 960 -5.285 5.403 -4.696 1.00 46.17 C ATOM 859 C ALA A 960 -4.891 6.320 -3.535 1.00 55.75 C ATOM 860 O ALA A 960 -3.997 7.162 -3.673 1.00 54.05 O ATOM 861 CB ALA A 960 -6.394 6.032 -5.504 1.00 40.83 C ATOM 862 H ALA A 960 -6.646 3.743 -4.407 1.00 0.00 H ATOM 863 N GLN A 961 -5.553 6.152 -2.394 1.00 49.40 N ATOM 864 CA GLN A 961 -5.218 6.934 -1.210 1.00 57.06 C ATOM 865 C GLN A 961 -3.901 6.463 -0.592 1.00 61.40 C ATOM 866 O GLN A 961 -3.084 7.282 -0.172 1.00 63.49 O ATOM 867 CB GLN A 961 -6.349 6.873 -0.178 1.00 56.76 C ATOM 868 CG GLN A 961 -7.489 7.833 -0.499 1.00 56.77 C ATOM 869 CD GLN A 961 -8.652 7.741 0.472 1.00 58.17 C ATOM 870 OE1 GLN A 961 -8.790 6.765 1.210 1.00 56.39 O ATOM 871 NE2 GLN A 961 -9.497 8.765 0.471 1.00 56.97 N ATOM 872 HE22 GLN A 961 -9.340 9.568 -0.171 1.00 0.00 H ATOM 873 HE21 GLN A 961 -10.316 8.764 1.112 1.00 0.00 H ATOM 874 H GLN A 961 -6.321 5.452 -2.346 1.00 0.00 H ATOM 875 N GLN A 962 -3.706 5.148 -0.541 1.00 49.17 N ATOM 876 CA GLN A 962 -2.486 4.571 0.012 1.00 60.87 C ATOM 877 C GLN A 962 -1.263 4.937 -0.818 1.00 62.47 C ATOM 878 O GLN A 962 -0.162 5.090 -0.283 1.00 66.68 O ATOM 879 CB GLN A 962 -2.602 3.052 0.103 1.00 62.18 C ATOM 880 CG GLN A 962 -3.440 2.561 1.260 1.00 69.37 C ATOM 881 CD GLN A 962 -3.636 1.058 1.225 1.00 77.06 C ATOM 882 OE1 GLN A 962 -3.682 0.451 0.152 1.00 69.71 O ATOM 883 NE2 GLN A 962 -3.748 0.447 2.401 1.00 87.01 N ATOM 884 HE22 GLN A 962 -3.703 1.000 3.281 1.00 0.00 H ATOM 885 HE21 GLN A 962 -3.880 -0.584 2.441 1.00 0.00 H ATOM 886 H GLN A 962 -4.445 4.513 -0.906 1.00 0.00 H ATOM 887 N ASN A 963 -1.459 5.073 -2.125 1.00 48.91 N ATOM 888 CA ASN A 963 -0.355 5.347 -3.030 1.00 54.03 C ATOM 889 C ASN A 963 -0.398 6.759 -3.596 1.00 55.41 C ATOM 890 O ASN A 963 0.084 7.005 -4.699 1.00 48.43 O ATOM 891 CB ASN A 963 -0.343 4.322 -4.163 1.00 49.91 C ATOM 892 CG ASN A 963 -0.037 2.916 -3.669 1.00 55.63 C ATOM 893 OD1 ASN A 963 1.130 2.514 -3.563 1.00 48.76 O ATOM 894 ND2 ASN A 963 -1.087 2.163 -3.348 1.00 46.08 N ATOM 895 HD22 ASN A 963 -2.050 2.542 -3.453 1.00 0.00 H ATOM 896 HD21 ASN A 963 -0.944 1.196 -2.992 1.00 0.00 H ATOM 897 H ASN A 963 -2.421 4.982 -2.508 1.00 0.00 H ATOM 898 N ALA A 964 -0.970 7.682 -2.825 1.00 49.20 N ATOM 899 CA ALA A 964 -1.026 9.088 -3.216 1.00 49.77 C ATOM 900 C ALA A 964 0.357 9.636 -3.588 1.00 54.84 C ATOM 901 O ALA A 964 0.509 10.303 -4.613 1.00 50.17 O ATOM 902 CB ALA A 964 -1.638 9.922 -2.097 1.00 51.11 C ATOM 903 H ALA A 964 -1.389 7.393 -1.918 1.00 0.00 H ATOM 904 N VAL A 965 1.361 9.349 -2.762 1.00 53.34 N ATOM 905 CA VAL A 965 2.711 9.855 -3.030 1.00 61.27 C ATOM 906 C VAL A 965 3.697 8.772 -3.470 1.00 60.60 C ATOM 907 O VAL A 965 4.899 8.894 -3.230 1.00 66.36 O ATOM 908 CB VAL A 965 3.308 10.588 -1.796 1.00 62.81 C ATOM 909 CG1 VAL A 965 2.543 11.867 -1.514 1.00 62.59 C ATOM 910 CG2 VAL A 965 3.335 9.684 -0.568 1.00 60.43 C ATOM 911 H VAL A 965 1.187 8.762 -1.921 1.00 0.00 H ATOM 912 N THR A 966 3.202 7.722 -4.124 1.00 54.26 N ATOM 913 CA THR A 966 4.090 6.710 -4.704 1.00 50.31 C ATOM 914 C THR A 966 3.935 6.638 -6.218 1.00 53.82 C ATOM 915 O THR A 966 3.119 7.352 -6.812 1.00 51.97 O ATOM 916 CB THR A 966 3.850 5.293 -4.121 1.00 51.71 C ATOM 917 OG1 THR A 966 2.684 4.704 -4.721 1.00 43.62 O ATOM 918 CG2 THR A 966 3.697 5.339 -2.606 1.00 50.65 C ATOM 919 HG1 THR A 966 2.540 3.801 -4.342 1.00 0.00 H ATOM 920 H THR A 966 2.172 7.619 -4.224 1.00 0.00 H ATOM 921 N SER A 967 4.722 5.761 -6.833 1.00 47.51 N ATOM 922 CA SER A 967 4.725 5.596 -8.282 1.00 46.93 C ATOM 923 C SER A 967 3.568 4.715 -8.768 1.00 41.60 C ATOM 924 O SER A 967 3.412 4.484 -9.966 1.00 40.84 O ATOM 925 CB SER A 967 6.062 5.004 -8.735 1.00 51.48 C ATOM 926 OG SER A 967 6.383 3.845 -7.983 1.00 51.77 O ATOM 927 HG SER A 967 6.448 4.083 -7.024 1.00 0.00 H ATOM 928 H SER A 967 5.359 5.171 -6.260 1.00 0.00 H ATOM 929 N LEU A 968 2.773 4.222 -7.826 1.00 46.36 N ATOM 930 CA LEU A 968 1.600 3.403 -8.151 1.00 45.79 C ATOM 931 C LEU A 968 0.325 4.242 -8.230 1.00 47.21 C ATOM 932 O LEU A 968 -0.762 3.717 -8.506 1.00 41.30 O ATOM 933 CB LEU A 968 1.427 2.291 -7.116 1.00 41.52 C ATOM 934 CG LEU A 968 2.415 1.123 -7.172 1.00 45.43 C ATOM 935 CD1 LEU A 968 2.089 0.077 -6.110 1.00 41.97 C ATOM 936 CD2 LEU A 968 2.401 0.506 -8.555 1.00 45.75 C ATOM 937 H LEU A 968 2.988 4.422 -6.828 1.00 0.00 H ATOM 938 N SER A 969 0.470 5.541 -7.982 1.00 44.43 N ATOM 939 CA SER A 969 -0.656 6.472 -7.942 1.00 46.61 C ATOM 940 C SER A 969 -1.466 6.487 -9.235 1.00 45.63 C ATOM 941 O SER A 969 -2.706 6.398 -9.209 1.00 40.36 O ATOM 942 CB SER A 969 -0.155 7.887 -7.637 1.00 52.02 C ATOM 943 OG SER A 969 -1.229 8.812 -7.586 1.00 49.10 O ATOM 944 HG SER A 969 -1.863 8.541 -6.876 1.00 0.00 H ATOM 945 H SER A 969 1.427 5.910 -7.809 1.00 0.00 H ATOM 946 N GLU A 970 -0.773 6.600 -10.364 1.00 45.93 N ATOM 947 CA GLU A 970 -1.453 6.726 -11.649 1.00 51.90 C ATOM 948 C GLU A 970 -2.184 5.442 -12.034 1.00 49.86 C ATOM 949 O GLU A 970 -3.275 5.496 -12.608 1.00 45.31 O ATOM 950 CB GLU A 970 -0.470 7.126 -12.752 1.00 55.37 C ATOM 951 CG GLU A 970 0.061 8.551 -12.614 1.00 62.22 C ATOM 952 CD GLU A 970 -1.041 9.570 -12.351 1.00 69.93 C ATOM 953 OE1 GLU A 970 -2.008 9.624 -13.143 1.00 69.54 O ATOM 954 OE2 GLU A 970 -0.942 10.314 -11.347 1.00 71.32 O ATOM 955 H GLU A 970 0.266 6.599 -10.331 1.00 0.00 H ATOM 956 N GLU A 971 -1.599 4.293 -11.708 1.00 45.80 N ATOM 957 CA GLU A 971 -2.257 3.022 -11.993 1.00 46.22 C ATOM 958 C GLU A 971 -3.498 2.843 -11.116 1.00 44.16 C ATOM 959 O GLU A 971 -4.538 2.386 -11.600 1.00 40.63 O ATOM 960 CB GLU A 971 -1.293 1.844 -11.798 1.00 44.67 C ATOM 961 CG GLU A 971 -1.926 0.453 -11.989 1.00 42.66 C ATOM 962 CD GLU A 971 -2.505 0.218 -13.385 1.00 49.18 C ATOM 963 OE1 GLU A 971 -2.209 0.997 -14.318 1.00 49.55 O ATOM 964 OE2 GLU A 971 -3.278 -0.758 -13.550 1.00 50.08 O ATOM 965 H GLU A 971 -0.667 4.300 -11.247 1.00 0.00 H ATOM 966 N ALA A 972 -3.389 3.212 -9.838 1.00 35.60 N ATOM 967 CA ALA A 972 -4.518 3.096 -8.911 1.00 31.05 C ATOM 968 C ALA A 972 -5.696 3.957 -9.358 1.00 36.39 C ATOM 969 O ALA A 972 -6.850 3.521 -9.293 1.00 29.60 O ATOM 970 CB ALA A 972 -4.100 3.469 -7.507 1.00 40.32 C ATOM 971 H ALA A 972 -2.484 3.590 -9.493 1.00 0.00 H ATOM 972 N LYS A 973 -5.407 5.174 -9.809 1.00 35.79 N ATOM 973 CA LYS A 973 -6.448 6.071 -10.305 1.00 37.10 C ATOM 974 C LYS A 973 -7.063 5.537 -11.594 1.00 39.80 C ATOM 975 O LYS A 973 -8.277 5.643 -11.809 1.00 33.69 O ATOM 976 CB LYS A 973 -5.898 7.484 -10.523 1.00 38.32 C ATOM 977 CG LYS A 973 -5.735 8.277 -9.233 1.00 45.60 C ATOM 978 CD LYS A 973 -5.348 9.722 -9.492 1.00 54.47 C ATOM 979 CE LYS A 973 -3.877 9.853 -9.816 1.00 60.85 C ATOM 980 NZ LYS A 973 -3.460 11.278 -9.979 1.00 70.62 N ATOM 981 HZ1 LYS A 973 -4.002 11.710 -10.754 1.00 0.00 H ATOM 982 HZ2 LYS A 973 -3.644 11.795 -9.096 1.00 0.00 H ATOM 983 HZ3 LYS A 973 -2.445 11.318 -10.200 1.00 0.00 H ATOM 984 H LYS A 973 -4.418 5.495 -9.809 1.00 0.00 H ATOM 985 N ARG A 974 -6.231 4.961 -12.452 1.00 34.83 N ATOM 986 CA ARG A 974 -6.731 4.324 -13.665 1.00 38.29 C ATOM 987 C ARG A 974 -7.732 3.221 -13.311 1.00 36.11 C ATOM 988 O ARG A 974 -8.778 3.087 -13.950 1.00 34.13 O ATOM 989 CB ARG A 974 -5.582 3.742 -14.485 1.00 42.83 C ATOM 990 CG ARG A 974 -5.983 3.337 -15.891 1.00 47.91 C ATOM 991 CD ARG A 974 -4.918 2.456 -16.540 1.00 55.38 C ATOM 992 NE ARG A 974 -4.786 1.183 -15.832 1.00 54.26 N ATOM 993 CZ ARG A 974 -5.593 0.140 -16.013 1.00 57.12 C ATOM 994 NH1 ARG A 974 -6.594 0.212 -16.885 1.00 52.69 N ATOM 995 NH2 ARG A 974 -5.407 -0.975 -15.317 1.00 53.02 N ATOM 996 HE ARG A 974 -4.013 1.087 -15.143 1.00 0.00 H ATOM 997 HH12 ARG A 974 -7.223 -0.605 -17.024 1.00 0.00 H ATOM 998 HH11 ARG A 974 -6.749 1.085 -17.428 1.00 0.00 H ATOM 999 HH22 ARG A 974 -6.039 -1.789 -15.460 1.00 0.00 H ATOM 1000 HH21 ARG A 974 -4.630 -1.035 -14.629 1.00 0.00 H ATOM 1001 H ARG A 974 -5.209 4.964 -12.257 1.00 0.00 H ATOM 1002 N GLN A 975 -7.419 2.447 -12.277 1.00 31.72 N ATOM 1003 CA GLN A 975 -8.317 1.369 -11.858 1.00 34.13 C ATOM 1004 C GLN A 975 -9.590 1.888 -11.186 1.00 30.44 C ATOM 1005 O GLN A 975 -10.631 1.213 -11.219 1.00 32.21 O ATOM 1006 CB GLN A 975 -7.581 0.405 -10.930 1.00 32.93 C ATOM 1007 CG GLN A 975 -6.434 -0.333 -11.637 1.00 36.10 C ATOM 1008 CD GLN A 975 -5.846 -1.450 -10.801 1.00 35.97 C ATOM 1009 OE1 GLN A 975 -6.388 -1.811 -9.757 1.00 35.80 O ATOM 1010 NE2 GLN A 975 -4.718 -2.001 -11.254 1.00 36.44 N ATOM 1011 HE22 GLN A 975 -4.295 -1.664 -12.142 1.00 0.00 H ATOM 1012 HE21 GLN A 975 -4.262 -2.767 -10.719 1.00 0.00 H ATOM 1013 H GLN A 975 -6.530 2.608 -11.762 1.00 0.00 H ATOM 1014 N MET A 976 -9.513 3.065 -10.565 1.00 27.53 N ATOM 1015 CA MET A 976 -10.711 3.720 -10.032 1.00 30.16 C ATOM 1016 C MET A 976 -11.670 4.066 -11.167 1.00 30.05 C ATOM 1017 O MET A 976 -12.883 3.883 -11.054 1.00 24.49 O ATOM 1018 CB MET A 976 -10.365 5.003 -9.262 1.00 31.44 C ATOM 1019 CG MET A 976 -9.853 4.817 -7.852 1.00 34.30 C ATOM 1020 SD MET A 976 -9.611 6.420 -7.029 1.00 37.39 S ATOM 1021 CE MET A 976 -11.262 7.121 -7.111 1.00 32.59 C ATOM 1022 H MET A 976 -8.587 3.526 -10.457 1.00 0.00 H ATOM 1023 N LEU A 977 -11.118 4.594 -12.256 1.00 26.83 N ATOM 1024 CA LEU A 977 -11.922 4.984 -13.411 1.00 31.89 C ATOM 1025 C LEU A 977 -12.595 3.777 -14.032 1.00 32.25 C ATOM 1026 O LEU A 977 -13.772 3.823 -14.400 1.00 27.38 O ATOM 1027 CB LEU A 977 -11.062 5.688 -14.461 1.00 33.98 C ATOM 1028 CG LEU A 977 -10.504 7.042 -14.030 1.00 36.68 C ATOM 1029 CD1 LEU A 977 -9.593 7.598 -15.118 1.00 44.31 C ATOM 1030 CD2 LEU A 977 -11.631 8.013 -13.723 1.00 39.66 C ATOM 1031 H LEU A 977 -10.088 4.733 -12.286 1.00 0.00 H ATOM 1032 N THR A 978 -11.842 2.692 -14.144 1.00 26.45 N ATOM 1033 CA THR A 978 -12.385 1.450 -14.683 1.00 27.47 C ATOM 1034 C THR A 978 -13.523 0.906 -13.812 1.00 23.28 C ATOM 1035 O THR A 978 -14.575 0.513 -14.325 1.00 23.00 O ATOM 1036 CB THR A 978 -11.283 0.380 -14.821 1.00 32.44 C ATOM 1037 OG1 THR A 978 -10.389 0.765 -15.870 1.00 39.57 O ATOM 1038 CG2 THR A 978 -11.888 -0.973 -15.165 1.00 36.67 C ATOM 1039 HG1 THR A 978 -9.679 0.082 -15.964 1.00 0.00 H ATOM 1040 H THR A 978 -10.847 2.727 -13.843 1.00 0.00 H ATOM 1041 N ALA A 979 -13.321 0.900 -12.503 1.00 23.35 N ATOM 1042 CA ALA A 979 -14.346 0.379 -11.589 1.00 24.61 C ATOM 1043 C ALA A 979 -15.601 1.252 -11.649 1.00 23.37 C ATOM 1044 O ALA A 979 -16.730 0.744 -11.591 1.00 22.19 O ATOM 1045 CB ALA A 979 -13.817 0.311 -10.177 1.00 26.80 C ATOM 1046 H ALA A 979 -12.428 1.268 -12.118 1.00 0.00 H ATOM 1047 N SER A 980 -15.413 2.558 -11.788 1.00 21.56 N ATOM 1048 CA SER A 980 -16.560 3.470 -11.773 1.00 24.07 C ATOM 1049 C SER A 980 -17.354 3.283 -13.070 1.00 25.15 C ATOM 1050 O SER A 980 -18.578 3.285 -13.075 1.00 21.53 O ATOM 1051 CB SER A 980 -16.099 4.920 -11.603 1.00 26.94 C ATOM 1052 OG SER A 980 -15.602 5.443 -12.828 1.00 32.03 O ATOM 1053 HG SER A 980 -14.833 4.898 -13.130 1.00 0.00 H ATOM 1054 H SER A 980 -14.451 2.935 -11.908 1.00 0.00 H ATOM 1055 N HIS A 981 -16.643 3.091 -14.171 1.00 22.87 N ATOM 1056 CA HIS A 981 -17.282 2.827 -15.457 1.00 23.79 C ATOM 1057 C HIS A 981 -18.154 1.564 -15.409 1.00 22.50 C ATOM 1058 O HIS A 981 -19.290 1.548 -15.885 1.00 21.37 O ATOM 1059 CB HIS A 981 -16.216 2.688 -16.559 1.00 28.50 C ATOM 1060 CG HIS A 981 -16.797 2.466 -17.917 1.00 29.30 C ATOM 1061 ND1 HIS A 981 -17.210 3.500 -18.726 1.00 34.24 N ATOM 1062 CD2 HIS A 981 -17.067 1.324 -18.596 1.00 28.64 C ATOM 1063 CE1 HIS A 981 -17.702 3.009 -19.851 1.00 35.02 C ATOM 1064 NE2 HIS A 981 -17.626 1.691 -19.797 1.00 33.46 N ATOM 1065 H HIS A 981 -15.605 3.129 -14.118 1.00 0.00 H ATOM 1066 N THR A 982 -17.611 0.503 -14.829 1.00 20.52 N ATOM 1067 CA THR A 982 -18.341 -0.748 -14.701 1.00 18.64 C ATOM 1068 C THR A 982 -19.616 -0.564 -13.891 1.00 17.47 C ATOM 1069 O THR A 982 -20.663 -1.112 -14.240 1.00 15.70 O ATOM 1070 CB THR A 982 -17.469 -1.829 -14.041 1.00 21.95 C ATOM 1071 OG1 THR A 982 -16.370 -2.126 -14.912 1.00 21.32 O ATOM 1072 CG2 THR A 982 -18.266 -3.091 -13.784 1.00 19.81 C ATOM 1073 HG1 THR A 982 -15.801 -2.822 -14.497 1.00 0.00 H ATOM 1074 H THR A 982 -16.642 0.567 -14.457 1.00 0.00 H ATOM 1075 N LEU A 983 -19.528 0.213 -12.820 1.00 20.10 N ATOM 1076 CA LEU A 983 -20.718 0.510 -12.014 1.00 16.72 C ATOM 1077 C LEU A 983 -21.814 1.193 -12.839 1.00 20.29 C ATOM 1078 O LEU A 983 -22.995 0.816 -12.745 1.00 15.86 O ATOM 1079 CB LEU A 983 -20.333 1.372 -10.807 1.00 18.51 C ATOM 1080 CG LEU A 983 -21.434 1.742 -9.821 1.00 22.47 C ATOM 1081 CD1 LEU A 983 -22.212 0.522 -9.421 1.00 24.11 C ATOM 1082 CD2 LEU A 983 -20.800 2.381 -8.599 1.00 31.46 C ATOM 1083 H LEU A 983 -18.608 0.615 -12.549 1.00 0.00 H ATOM 1084 N ALA A 984 -21.436 2.173 -13.666 1.00 16.32 N ATOM 1085 CA ALA A 984 -22.419 2.899 -14.475 1.00 17.93 C ATOM 1086 C ALA A 984 -23.032 1.990 -15.530 1.00 18.31 C ATOM 1087 O ALA A 984 -24.237 2.014 -15.741 1.00 16.92 O ATOM 1088 CB ALA A 984 -21.793 4.131 -15.127 1.00 21.12 C ATOM 1089 H ALA A 984 -20.429 2.424 -13.736 1.00 0.00 H ATOM 1090 N VAL A 985 -22.213 1.149 -16.166 1.00 19.38 N ATOM 1091 CA VAL A 985 -22.748 0.198 -17.135 1.00 18.75 C ATOM 1092 C VAL A 985 -23.741 -0.795 -16.507 1.00 17.86 C ATOM 1093 O VAL A 985 -24.788 -1.094 -17.068 1.00 18.48 O ATOM 1094 CB VAL A 985 -21.586 -0.566 -17.840 1.00 23.19 C ATOM 1095 CG1 VAL A 985 -22.114 -1.806 -18.547 1.00 27.81 C ATOM 1096 CG2 VAL A 985 -20.904 0.370 -18.815 1.00 24.22 C ATOM 1097 H VAL A 985 -21.192 1.172 -15.970 1.00 0.00 H ATOM 1098 N ASP A 986 -23.435 -1.281 -15.320 1.00 17.72 N ATOM 1099 CA ASP A 986 -24.340 -2.206 -14.651 1.00 19.96 C ATOM 1100 C ASP A 986 -25.618 -1.526 -14.152 1.00 18.24 C ATOM 1101 O ASP A 986 -26.680 -2.158 -14.069 1.00 17.73 O ATOM 1102 CB ASP A 986 -23.586 -2.909 -13.523 1.00 20.63 C ATOM 1103 CG ASP A 986 -22.581 -3.926 -14.069 1.00 28.34 C ATOM 1104 OD1 ASP A 986 -22.750 -4.330 -15.240 1.00 30.82 O ATOM 1105 OD2 ASP A 986 -21.623 -4.317 -13.364 1.00 28.98 O ATOM 1106 H ASP A 986 -22.545 -1.003 -14.860 1.00 0.00 H ATOM 1107 N ALA A 987 -25.531 -0.236 -13.850 1.00 17.06 N ATOM 1108 CA ALA A 987 -26.723 0.550 -13.520 1.00 15.60 C ATOM 1109 C ALA A 987 -27.684 0.624 -14.707 1.00 16.83 C ATOM 1110 O ALA A 987 -28.913 0.530 -14.552 1.00 15.87 O ATOM 1111 CB ALA A 987 -26.325 1.952 -13.074 1.00 17.83 C ATOM 1112 H ALA A 987 -24.599 0.226 -13.848 1.00 0.00 H ATOM 1113 N LYS A 988 -27.131 0.814 -15.901 1.00 16.19 N ATOM 1114 CA LYS A 988 -27.968 0.847 -17.113 1.00 19.53 C ATOM 1115 C LYS A 988 -28.606 -0.530 -17.355 1.00 20.91 C ATOM 1116 O LYS A 988 -29.757 -0.621 -17.788 1.00 18.60 O ATOM 1117 CB LYS A 988 -27.132 1.327 -18.320 1.00 21.78 C ATOM 1118 CG LYS A 988 -27.848 1.285 -19.678 1.00 28.96 C ATOM 1119 CD LYS A 988 -29.180 2.055 -19.666 1.00 31.06 C ATOM 1120 CE LYS A 988 -29.738 2.269 -21.085 1.00 36.03 C ATOM 1121 NZ LYS A 988 -29.974 0.995 -21.827 1.00 33.54 N ATOM 1122 HZ1 LYS A 988 -29.077 0.477 -21.918 1.00 0.00 H ATOM 1123 HZ2 LYS A 988 -30.660 0.413 -21.305 1.00 0.00 H ATOM 1124 HZ3 LYS A 988 -30.349 1.210 -22.773 1.00 0.00 H ATOM 1125 H LYS A 988 -26.102 0.940 -15.980 1.00 0.00 H ATOM 1126 N ASN A 989 -27.871 -1.606 -17.051 1.00 20.79 N ATOM 1127 CA ASN A 989 -28.458 -2.941 -17.129 1.00 21.02 C ATOM 1128 C ASN A 989 -29.612 -3.129 -16.147 1.00 19.77 C ATOM 1129 O ASN A 989 -30.640 -3.730 -16.500 1.00 22.13 O ATOM 1130 CB ASN A 989 -27.381 -4.008 -16.910 1.00 23.00 C ATOM 1131 CG ASN A 989 -26.423 -4.095 -18.077 1.00 29.75 C ATOM 1132 OD1 ASN A 989 -26.669 -3.511 -19.134 1.00 33.28 O ATOM 1133 ND2 ASN A 989 -25.330 -4.829 -17.902 1.00 34.44 N ATOM 1134 HD22 ASN A 989 -25.163 -5.304 -16.992 1.00 0.00 H ATOM 1135 HD21 ASN A 989 -24.641 -4.928 -18.675 1.00 0.00 H ATOM 1136 H ASN A 989 -26.880 -1.491 -16.759 1.00 0.00 H ATOM 1137 N LEU A 990 -29.482 -2.603 -14.939 1.00 18.07 N ATOM 1138 CA LEU A 990 -30.608 -2.628 -13.992 1.00 17.99 C ATOM 1139 C LEU A 990 -31.806 -1.852 -14.558 1.00 17.15 C ATOM 1140 O LEU A 990 -32.961 -2.289 -14.458 1.00 18.66 O ATOM 1141 CB LEU A 990 -30.174 -2.049 -12.639 1.00 18.20 C ATOM 1142 CG LEU A 990 -31.243 -1.951 -11.540 1.00 18.67 C ATOM 1143 CD1 LEU A 990 -31.904 -3.299 -11.290 1.00 22.75 C ATOM 1144 CD2 LEU A 990 -30.638 -1.443 -10.226 1.00 21.05 C ATOM 1145 H LEU A 990 -28.579 -2.170 -14.658 1.00 0.00 H ATOM 1146 N LEU A 991 -31.544 -0.701 -15.167 1.00 19.03 N ATOM 1147 CA LEU A 991 -32.653 0.075 -15.742 1.00 18.47 C ATOM 1148 C LEU A 991 -33.409 -0.736 -16.799 1.00 21.63 C ATOM 1149 O LEU A 991 -34.638 -0.765 -16.797 1.00 21.08 O ATOM 1150 CB LEU A 991 -32.150 1.390 -16.338 1.00 16.95 C ATOM 1151 CG LEU A 991 -33.246 2.249 -17.004 1.00 21.80 C ATOM 1152 CD1 LEU A 991 -34.355 2.580 -16.023 1.00 21.79 C ATOM 1153 CD2 LEU A 991 -32.654 3.520 -17.587 1.00 28.24 C ATOM 1154 H LEU A 991 -30.566 -0.353 -15.236 1.00 0.00 H ATOM 1155 N ASP A 992 -32.674 -1.400 -17.694 1.00 19.34 N ATOM 1156 CA ASP A 992 -33.274 -2.277 -18.708 1.00 21.23 C ATOM 1157 C ASP A 992 -34.112 -3.383 -18.089 1.00 21.69 C ATOM 1158 O ASP A 992 -35.218 -3.669 -18.555 1.00 24.48 O ATOM 1159 CB ASP A 992 -32.202 -2.937 -19.588 1.00 25.45 C ATOM 1160 CG ASP A 992 -31.473 -1.951 -20.481 1.00 34.00 C ATOM 1161 OD1 ASP A 992 -31.950 -0.802 -20.634 1.00 33.00 O ATOM 1162 OD2 ASP A 992 -30.413 -2.339 -21.036 1.00 28.92 O ATOM 1163 H ASP A 992 -31.640 -1.292 -17.672 1.00 0.00 H ATOM 1164 N ALA A 993 -33.569 -4.018 -17.054 1.00 20.20 N ATOM 1165 CA ALA A 993 -34.269 -5.087 -16.329 1.00 23.76 C ATOM 1166 C ALA A 993 -35.576 -4.618 -15.708 1.00 19.94 C ATOM 1167 O ALA A 993 -36.605 -5.312 -15.774 1.00 22.64 O ATOM 1168 CB ALA A 993 -33.376 -5.652 -15.245 1.00 18.47 C ATOM 1169 H ALA A 993 -32.613 -3.748 -16.746 1.00 0.00 H ATOM 1170 N VAL A 994 -35.535 -3.446 -15.086 1.00 18.44 N ATOM 1171 CA VAL A 994 -36.727 -2.872 -14.465 1.00 17.53 C ATOM 1172 C VAL A 994 -37.746 -2.496 -15.547 1.00 21.68 C ATOM 1173 O VAL A 994 -38.944 -2.796 -15.421 1.00 19.90 O ATOM 1174 CB VAL A 994 -36.387 -1.626 -13.600 1.00 16.46 C ATOM 1175 CG1 VAL A 994 -37.660 -0.855 -13.236 1.00 19.64 C ATOM 1176 CG2 VAL A 994 -35.607 -2.034 -12.337 1.00 16.11 C ATOM 1177 H VAL A 994 -34.636 -2.925 -15.040 1.00 0.00 H ATOM 1178 N ASP A 995 -37.273 -1.877 -16.625 1.00 20.42 N ATOM 1179 CA ASP A 995 -38.168 -1.525 -17.749 1.00 25.39 C ATOM 1180 C ASP A 995 -38.892 -2.745 -18.337 1.00 26.12 C ATOM 1181 O ASP A 995 -40.091 -2.686 -18.659 1.00 24.55 O ATOM 1182 CB ASP A 995 -37.379 -0.817 -18.858 1.00 24.63 C ATOM 1183 CG ASP A 995 -37.006 0.619 -18.492 1.00 28.47 C ATOM 1184 OD1 ASP A 995 -37.575 1.176 -17.517 1.00 29.13 O ATOM 1185 OD2 ASP A 995 -36.134 1.194 -19.180 1.00 31.20 O ATOM 1186 H ASP A 995 -36.262 -1.638 -16.678 1.00 0.00 H ATOM 1187 N GLN A 996 -38.158 -3.841 -18.487 1.00 22.51 N ATOM 1188 CA GLN A 996 -38.716 -5.116 -18.950 1.00 23.63 C ATOM 1189 C GLN A 996 -39.795 -5.625 -18.012 1.00 26.42 C ATOM 1190 O GLN A 996 -40.897 -6.021 -18.431 1.00 24.54 O ATOM 1191 CB GLN A 996 -37.615 -6.182 -19.071 1.00 24.96 C ATOM 1192 CG GLN A 996 -38.181 -7.567 -19.441 1.00 29.15 C ATOM 1193 CD GLN A 996 -37.170 -8.690 -19.331 1.00 31.80 C ATOM 1194 OE1 GLN A 996 -36.223 -8.619 -18.551 1.00 41.05 O ATOM 1195 NE2 GLN A 996 -37.367 -9.737 -20.120 1.00 38.20 N ATOM 1196 HE22 GLN A 996 -38.182 -9.756 -20.766 1.00 0.00 H ATOM 1197 HE21 GLN A 996 -36.706 -10.540 -20.093 1.00 0.00 H ATOM 1198 H GLN A 996 -37.143 -3.793 -18.267 1.00 0.00 H ATOM 1199 N ALA A 997 -39.455 -5.629 -16.733 1.00 23.52 N ATOM 1200 CA ALA A 997 -40.375 -6.054 -15.690 1.00 23.78 C ATOM 1201 C ALA A 997 -41.681 -5.264 -15.739 1.00 26.23 C ATOM 1202 O ALA A 997 -42.768 -5.843 -15.621 1.00 28.90 O ATOM 1203 CB ALA A 997 -39.718 -5.916 -14.318 1.00 22.54 C ATOM 1204 H ALA A 997 -38.499 -5.318 -16.465 1.00 0.00 H ATOM 1205 N LYS A 998 -41.585 -3.950 -15.926 1.00 24.19 N ATOM 1206 CA LYS A 998 -42.788 -3.103 -15.976 1.00 27.70 C ATOM 1207 C LYS A 998 -43.663 -3.435 -17.194 1.00 32.54 C ATOM 1208 O LYS A 998 -44.893 -3.473 -17.101 1.00 31.17 O ATOM 1209 CB LYS A 998 -42.399 -1.621 -15.989 1.00 26.81 C ATOM 1210 CG LYS A 998 -41.863 -1.092 -14.641 1.00 26.56 C ATOM 1211 CD LYS A 998 -41.254 0.306 -14.808 1.00 32.32 C ATOM 1212 CE LYS A 998 -41.096 1.011 -13.469 1.00 33.97 C ATOM 1213 NZ LYS A 998 -40.435 2.355 -13.572 1.00 34.64 N ATOM 1214 HZ1 LYS A 998 -39.484 2.242 -13.978 1.00 0.00 H ATOM 1215 HZ2 LYS A 998 -41.004 2.974 -14.184 1.00 0.00 H ATOM 1216 HZ3 LYS A 998 -40.360 2.777 -12.624 1.00 0.00 H ATOM 1217 H LYS A 998 -40.647 -3.515 -16.038 1.00 0.00 H ATOM 1218 N VAL A 999 -43.025 -3.679 -18.332 1.00 22.90 N ATOM 1219 CA VAL A 999 -43.749 -4.118 -19.535 1.00 26.16 C ATOM 1220 C VAL A 999 -44.460 -5.447 -19.287 1.00 28.16 C ATOM 1221 O VAL A 999 -45.662 -5.590 -19.562 1.00 33.72 O ATOM 1222 CB VAL A 999 -42.792 -4.257 -20.742 1.00 28.96 C ATOM 1223 CG1 VAL A 999 -43.507 -4.878 -21.941 1.00 33.93 C ATOM 1224 CG2 VAL A 999 -42.224 -2.901 -21.111 1.00 28.90 C ATOM 1225 H VAL A 999 -41.993 -3.557 -18.374 1.00 0.00 H ATOM 1226 N LEU A1000 -43.731 -6.416 -18.745 1.00 31.07 N ATOM 1227 CA LEU A1000 -44.320 -7.729 -18.462 1.00 34.31 C ATOM 1228 C LEU A1000 -45.434 -7.656 -17.403 1.00 35.71 C ATOM 1229 O LEU A1000 -46.391 -8.428 -17.450 1.00 38.54 O ATOM 1230 CB LEU A1000 -43.234 -8.708 -18.032 1.00 35.21 C ATOM 1231 CG LEU A1000 -42.276 -9.088 -19.168 1.00 32.27 C ATOM 1232 CD1 LEU A1000 -41.184 -10.022 -18.667 1.00 35.41 C ATOM 1233 CD2 LEU A1000 -43.040 -9.729 -20.316 1.00 33.25 C ATOM 1234 H LEU A1000 -42.731 -6.242 -18.519 1.00 0.00 H ATOM 1235 N ALA A1001 -45.324 -6.720 -16.464 1.00 30.27 N ATOM 1236 CA ALA A1001 -46.406 -6.485 -15.505 1.00 32.02 C ATOM 1237 C ALA A1001 -47.674 -6.037 -16.219 1.00 36.31 C ATOM 1238 O ALA A1001 -48.776 -6.474 -15.881 1.00 38.85 O ATOM 1239 CB ALA A1001 -46.001 -5.448 -14.478 1.00 29.24 C ATOM 1240 H ALA A1001 -44.458 -6.147 -16.410 1.00 0.00 H ATOM 1241 N ASN A1002 -47.511 -5.151 -17.198 1.00 40.51 N ATOM 1242 CA ASN A1002 -48.651 -4.621 -17.942 1.00 48.36 C ATOM 1243 C ASN A1002 -49.291 -5.687 -18.816 1.00 53.63 C ATOM 1244 O ASN A1002 -50.422 -5.531 -19.273 1.00 54.29 O ATOM 1245 CB ASN A1002 -48.231 -3.429 -18.803 1.00 48.80 C ATOM 1246 CG ASN A1002 -48.447 -2.102 -18.106 1.00 53.78 C ATOM 1247 OD1 ASN A1002 -49.518 -1.846 -17.559 1.00 63.74 O ATOM 1248 ND2 ASN A1002 -47.429 -1.252 -18.119 1.00 52.46 N ATOM 1249 HD22 ASN A1002 -46.541 -1.511 -18.594 1.00 0.00 H ATOM 1250 HD21 ASN A1002 -47.519 -0.326 -17.654 1.00 0.00 H ATOM 1251 H ASN A1002 -46.552 -4.829 -17.439 1.00 0.00 H ATOM 1252 N LEU A1003 -48.548 -6.764 -19.050 1.00 41.03 N ATOM 1253 CA LEU A1003 -49.042 -7.879 -19.839 1.00 45.22 C ATOM 1254 C LEU A1003 -49.957 -8.738 -18.974 1.00 52.92 C ATOM 1255 O LEU A1003 -51.040 -9.140 -19.400 1.00 50.26 O ATOM 1256 CB LEU A1003 -47.875 -8.700 -20.396 1.00 49.24 C ATOM 1257 CG LEU A1003 -48.194 -9.898 -21.291 1.00 46.31 C ATOM 1258 CD1 LEU A1003 -48.975 -9.468 -22.534 1.00 41.68 C ATOM 1259 CD2 LEU A1003 -46.905 -10.627 -21.668 1.00 40.39 C ATOM 1260 H LEU A1003 -47.586 -6.810 -18.657 1.00 0.00 H ATOM 1261 N ALA A1004 -49.516 -8.996 -17.746 1.00 66.11 N ATOM 1262 CA ALA A1004 -50.269 -9.821 -16.814 1.00 73.04 C ATOM 1263 C ALA A1004 -51.577 -9.133 -16.420 1.00 74.52 C ATOM 1264 O ALA A1004 -52.588 -9.794 -16.182 1.00 84.72 O ATOM 1265 CB ALA A1004 -49.424 -10.133 -15.579 1.00 69.76 C ATOM 1266 H ALA A1004 -48.605 -8.596 -17.443 1.00 0.00 H ATOM 1267 N HIS A1005 -51.550 -7.803 -16.372 1.00 68.08 N ATOM 1268 CA HIS A1005 -52.731 -7.012 -16.044 1.00 70.77 C ATOM 1269 C HIS A1005 -53.506 -6.628 -17.300 1.00 76.39 C ATOM 1270 O HIS A1005 -54.733 -6.520 -17.276 1.00 80.36 O ATOM 1271 CB HIS A1005 -52.335 -5.754 -15.268 1.00 65.88 C ATOM 1272 H HIS A1005 -50.657 -7.311 -16.575 1.00 0.00 H TER 1273 HIS A1005 HETATM 1274 O HOH 1 -24.068 -5.733 -16.379 1.00 26.28 O HETATM 1275 O HOH 2 -25.542 -1.750 -19.753 1.00 21.84 O HETATM 1276 O HOH 3 -28.702 -4.071 -20.281 1.00 37.13 O HETATM 1277 O HOH 4 -43.371 13.205 -11.394 1.00 53.13 O HETATM 1278 O HOH 5 -0.665 2.883 -14.863 1.00 41.56 O HETATM 1279 O HOH 6 -33.347 11.925 -19.391 1.00 35.86 O HETATM 1280 O HOH 7 -29.548 7.584 -7.380 1.00 32.75 O HETATM 1281 O HOH 8 -33.864 0.887 -20.560 1.00 32.89 O HETATM 1282 O HOH 9 -30.733 -6.037 -18.204 1.00 28.11 O HETATM 1283 O HOH 10 -35.700 -9.578 -14.003 1.00 36.58 O HETATM 1284 O HOH 11 -34.751 6.192 -3.733 1.00 34.13 O HETATM 1285 O HOH 12 -33.691 -9.359 -18.671 1.00 41.20 O HETATM 1286 O HOH 13 -38.607 -10.070 -16.523 1.00 38.59 O HETATM 1287 O HOH 14 -36.784 -7.992 -15.810 1.00 28.80 O HETATM 1288 O HOH 15 -34.698 -2.170 1.588 1.00 35.69 O HETATM 1289 O HOH 16 1.174 3.891 -11.406 1.00 35.74 O HETATM 1290 O HOH 17 -28.202 8.220 -0.253 1.00 36.36 O HETATM 1291 O HOH 18 -36.577 1.249 -0.173 1.00 41.76 O HETATM 1292 O HOH 19 -47.172 3.470 -32.468 1.00 54.72 O HETATM 1293 O HOH 20 -35.720 -7.598 -2.450 1.00 40.74 O HETATM 1294 O HOH 21 -30.889 -13.084 -6.914 1.00 40.67 O HETATM 1295 O HOH 22 -36.730 3.702 -0.415 1.00 43.89 O HETATM 1296 O HOH 23 -20.395 -4.458 -16.830 1.00 38.78 O HETATM 1297 O HOH 24 -31.072 1.844 0.219 1.00 36.51 O HETATM 1298 O HOH 25 -46.229 -12.070 -10.548 1.00 49.76 O HETATM 1299 O HOH 26 -35.553 -11.845 -19.160 1.00 41.06 O HETATM 1300 O HOH 27 2.566 10.425 -6.760 1.00 48.97 O HETATM 1301 O HOH 28 -22.016 14.637 -14.746 1.00 38.30 O HETATM 1302 O HOH 29 7.093 5.210 -5.074 1.00 33.18 O HETATM 1303 O HOH 30 -35.661 8.402 -21.463 1.00 34.24 O HETATM 1304 O HOH 31 -44.169 -14.279 -12.695 1.00 50.57 O HETATM 1305 O HOH 32 -41.429 -1.055 0.337 1.00 47.25 O HETATM 1306 O HOH 33 -41.918 0.653 -34.585 1.00 50.46 O HETATM 1307 O HOH 34 -34.501 -1.965 -22.677 1.00 43.55 O HETATM 1308 O HOH 35 -31.869 13.097 -1.778 1.00 41.82 O HETATM 1309 O HOH 36 -37.403 0.361 -22.551 1.00 44.95 O HETATM 1310 O HOH 37 -38.646 -3.368 -22.154 1.00 36.48 O HETATM 1311 O HOH 38 -36.252 -9.149 -0.201 1.00 39.22 O HETATM 1312 O HOH 39 -30.378 13.140 -15.908 1.00 43.09 O HETATM 1313 O HOH 40 -31.788 11.931 -13.069 1.00 38.11 O HETATM 1314 O HOH 41 -16.783 -1.522 -10.184 1.00 23.46 O HETATM 1315 O HOH 42 -37.890 2.237 -14.928 1.00 28.45 O HETATM 1316 O HOH 43 -39.594 3.088 -7.005 1.00 29.20 O HETATM 1317 O HOH 44 -15.241 -3.417 -11.260 1.00 33.09 O HETATM 1318 O HOH 45 -10.732 -1.530 -11.475 1.00 32.49 O HETATM 1319 O HOH 46 -33.706 -6.001 -2.914 1.00 32.85 O HETATM 1320 O HOH 47 -40.969 4.588 -16.991 1.00 33.25 O HETATM 1321 O HOH 48 -14.552 -3.320 -13.600 1.00 34.90 O HETATM 1322 O HOH 49 -42.925 -1.732 -1.674 1.00 39.11 O HETATM 1323 O HOH 50 -19.268 11.668 -8.058 1.00 44.89 O HETATM 1324 O HOH 51 -20.098 -6.143 -14.112 1.00 40.39 O HETATM 1325 O HOH 52 -37.981 10.307 -13.642 1.00 32.67 O HETATM 1326 O HOH 53 -8.115 -0.566 -14.672 1.00 43.93 O HETATM 1327 O HOH 54 1.377 7.344 -0.835 1.00 45.21 O HETATM 1328 O HOH 55 1.972 7.468 -10.362 1.00 36.90 O HETATM 1329 O HOH 56 -39.761 3.643 -10.798 1.00 38.22 O HETATM 1330 O HOH 57 -3.619 8.311 -5.841 1.00 48.31 O HETATM 1331 O HOH 58 -47.491 -4.204 -11.411 1.00 46.61 O HETATM 1332 O HOH 59 -5.634 12.914 -9.115 1.00 54.62 O HETATM 1333 O HOH 60 -14.866 -0.758 -17.104 1.00 36.31 O HETATM 1334 O HOH 61 -14.273 -2.499 -0.639 1.00 34.45 O HETATM 1335 O HOH 62 -4.008 7.583 -14.061 1.00 52.49 O HETATM 1336 O HOH 63 -26.033 -3.250 7.290 1.00 49.79 O HETATM 1337 O HOH 64 -32.013 -7.749 -1.622 1.00 34.62 O HETATM 1338 O HOH 65 -22.789 -8.034 -3.778 1.00 37.73 O HETATM 1339 O HOH 66 -21.317 -5.205 2.793 1.00 47.93 O HETATM 1340 O HOH 67 -28.895 1.038 1.500 1.00 38.36 O HETATM 1341 N LYS A 68 -35.860 -3.717 5.823 1.00 0.24 N HETATM 1342 CA LYS A 68 -34.596 -3.639 5.104 1.00 0.07 C HETATM 1343 C LYS A 68 -34.325 -4.896 4.268 1.00 0.23 C HETATM 1344 O LYS A 68 -34.353 -6.010 4.789 1.00 -0.39 O HETATM 1345 N LYS A 68 -34.055 -4.724 2.975 1.00 -0.26 N HETATM 1346 CA LYS A 68 -33.661 -5.853 2.137 1.00 0.16 C HETATM 1347 C LYS A 68 -32.178 -6.178 2.288 1.00 0.21 C HETATM 1348 O LYS A 68 -31.389 -5.364 2.775 1.00 -0.39 O HETATM 1349 N LYS A 68 -31.803 -7.367 1.840 1.00 -0.26 N HETATM 1350 CA LYS A 68 -30.411 -7.805 1.872 1.00 0.15 C HETATM 1351 C LYS A 68 -29.483 -6.854 1.104 1.00 0.21 C HETATM 1352 O LYS A 68 -28.396 -6.486 1.585 1.00 -0.39 O HETATM 1353 N LYS A 68 -29.915 -6.447 -0.084 1.00 -0.26 N HETATM 1354 CA LYS A 68 -29.111 -5.528 -0.900 1.00 0.13 C HETATM 1355 C LYS A 68 -28.892 -4.201 -0.181 1.00 0.20 C HETATM 1356 O LYS A 68 -27.786 -3.662 -0.183 1.00 -0.39 O HETATM 1357 N LYS A 68 -29.940 -3.680 0.449 1.00 -0.26 N HETATM 1358 CA LYS A 68 -29.837 -2.406 1.149 1.00 0.13 C HETATM 1359 C LYS A 68 -28.897 -2.497 2.362 1.00 0.20 C HETATM 1360 O LYS A 68 -28.106 -1.586 2.629 1.00 -0.39 O HETATM 1361 N LYS A 68 -28.974 -3.613 3.081 1.00 -0.26 N HETATM 1362 CA LYS A 68 -28.117 -3.830 4.254 1.00 0.13 C HETATM 1363 C LYS A 68 -26.648 -3.971 3.868 1.00 0.20 C HETATM 1364 O LYS A 68 -25.758 -3.392 4.508 1.00 -0.39 O HETATM 1365 N LYS A 68 -26.398 -4.756 2.827 1.00 -0.26 N HETATM 1366 CA LYS A 68 -25.054 -4.932 2.276 1.00 0.13 C HETATM 1367 C LYS A 68 -24.429 -3.591 1.875 1.00 0.20 C HETATM 1368 O LYS A 68 -23.244 -3.337 2.125 1.00 -0.39 O HETATM 1369 N LYS A 68 -25.232 -2.730 1.260 1.00 -0.26 N HETATM 1370 CA LYS A 68 -24.762 -1.418 0.823 1.00 0.13 C HETATM 1371 C LYS A 68 -24.499 -0.482 2.005 1.00 0.20 C HETATM 1372 O LYS A 68 -23.538 0.292 1.999 1.00 -0.39 O HETATM 1373 N LYS A 68 -25.353 -0.540 3.021 1.00 -0.26 N HETATM 1374 CA LYS A 68 -25.163 0.332 4.172 1.00 0.14 C HETATM 1375 C LYS A 68 -23.886 -0.038 4.920 1.00 0.21 C HETATM 1376 O LYS A 68 -23.266 0.816 5.551 1.00 -0.39 O HETATM 1377 N LYS A 68 -23.498 -1.308 4.829 1.00 -0.26 N HETATM 1378 CA LYS A 68 -22.254 -1.787 5.419 1.00 0.13 C HETATM 1379 C LYS A 68 -21.059 -1.209 4.668 1.00 0.20 C HETATM 1380 O LYS A 68 -20.011 -0.932 5.259 1.00 -0.39 O HETATM 1381 N LYS A 68 -21.223 -1.022 3.362 1.00 -0.26 N HETATM 1382 CA LYS A 68 -20.165 -0.446 2.536 1.00 0.13 C HETATM 1383 C LYS A 68 -20.026 1.053 2.773 1.00 0.20 C HETATM 1384 O LYS A 68 -18.917 1.571 2.891 1.00 -0.39 O HETATM 1385 N LYS A 68 -21.158 1.744 2.853 1.00 -0.26 N HETATM 1386 CA LYS A 68 -21.173 3.183 3.095 1.00 0.13 C HETATM 1387 C LYS A 68 -20.692 3.525 4.510 1.00 0.20 C HETATM 1388 O LYS A 68 -20.290 4.660 4.787 1.00 -0.39 O HETATM 1389 N LYS A 68 -20.744 2.539 5.401 1.00 -0.26 N HETATM 1390 CA LYS A 68 -20.261 2.712 6.764 1.00 0.13 C HETATM 1391 C LYS A 68 -18.739 2.766 6.774 1.00 0.20 C HETATM 1392 O LYS A 68 -18.140 3.460 7.594 1.00 -0.39 O HETATM 1393 N LYS A 68 -18.125 2.037 5.845 1.00 -0.26 N HETATM 1394 CA LYS A 68 -16.672 2.000 5.707 1.00 0.13 C HETATM 1395 C LYS A 68 -16.112 3.302 5.133 1.00 0.20 C HETATM 1396 O LYS A 68 -14.902 3.525 5.152 1.00 -0.39 O HETATM 1397 N LYS A 68 -16.993 4.154 4.618 1.00 -0.26 N HETATM 1398 CA LYS A 68 -16.581 5.451 4.092 1.00 0.13 C HETATM 1399 C LYS A 68 -16.746 6.543 5.146 1.00 0.20 C HETATM 1400 O LYS A 68 -15.882 7.408 5.296 1.00 -0.39 O HETATM 1401 N LYS A 68 -17.857 6.496 5.876 1.00 -0.27 N HETATM 1402 CA LYS A 68 -18.143 7.490 6.908 1.00 0.09 C HETATM 1403 C LYS A 68 -17.169 7.371 8.076 1.00 0.06 C HETATM 1404 O LYS A 68 -16.440 8.314 8.387 1.00 -0.57 O HETATM 1405 OXT LYS A 68 -17.093 6.330 8.730 1.00 -0.57 O HETATM 1406 CB LYS A 68 -19.587 7.357 7.438 1.00 -0.03 C HETATM 1407 H114 LYS A 68 -19.765 8.119 8.211 1.00 0.03 H HETATM 1408 H115 LYS A 68 -19.728 6.356 7.871 1.00 0.03 H HETATM 1409 H116 LYS A 68 -20.296 7.502 6.610 1.00 0.03 H HETATM 1410 H113 LYS A 68 -18.028 8.488 6.459 1.00 0.07 H HETATM 1411 H112 LYS A 68 -18.515 5.760 5.714 1.00 0.19 H HETATM 1412 CB LYS A 68 -17.380 5.809 2.834 1.00 -0.01 C HETATM 1413 CG LYS A 68 -17.180 4.931 1.595 1.00 -0.04 C HETATM 1414 CD1 LYS A 68 -18.083 5.387 0.453 1.00 -0.06 C HETATM 1415 H106 LYS A 68 -17.921 4.742 -0.423 1.00 0.02 H HETATM 1416 H107 LYS A 68 -17.845 6.428 0.191 1.00 0.02 H HETATM 1417 H108 LYS A 68 -19.135 5.320 0.768 1.00 0.02 H HETATM 1418 CD2 LYS A 68 -15.727 4.941 1.164 1.00 -0.06 C HETATM 1419 H109 LYS A 68 -15.094 4.610 2.001 1.00 0.02 H HETATM 1420 H110 LYS A 68 -15.439 5.961 0.868 1.00 0.02 H HETATM 1421 H111 LYS A 68 -15.593 4.260 0.311 1.00 0.02 H HETATM 1422 H105 LYS A 68 -17.454 3.899 1.858 1.00 0.03 H HETATM 1423 H103 LYS A 68 -17.111 6.838 2.555 1.00 0.03 H HETATM 1424 H104 LYS A 68 -18.447 5.767 3.098 1.00 0.03 H HETATM 1425 H102 LYS A 68 -15.517 5.389 3.821 1.00 0.08 H HETATM 1426 H101 LYS A 68 -17.960 3.900 4.590 1.00 0.19 H HETATM 1427 CB LYS A 68 -16.252 0.821 4.824 1.00 -0.02 C HETATM 1428 H98 LYS A 68 -15.156 0.806 4.729 1.00 0.03 H HETATM 1429 H99 LYS A 68 -16.705 0.930 3.827 1.00 0.03 H HETATM 1430 H100 LYS A 68 -16.593 -0.119 5.281 1.00 0.03 H HETATM 1431 H97 LYS A 68 -16.240 1.856 6.708 1.00 0.08 H HETATM 1432 H96 LYS A 68 -18.681 1.493 5.217 1.00 0.19 H HETATM 1433 CB LYS A 68 -20.766 1.589 7.661 1.00 -0.02 C HETATM 1434 H93 LYS A 68 -20.390 1.739 8.684 1.00 0.03 H HETATM 1435 H94 LYS A 68 -20.407 0.623 7.277 1.00 0.03 H HETATM 1436 H95 LYS A 68 -21.866 1.594 7.670 1.00 0.03 H HETATM 1437 H92 LYS A 68 -20.647 3.666 7.153 1.00 0.08 H HETATM 1438 H91 LYS A 68 -21.125 1.656 5.128 1.00 0.19 H HETATM 1439 CB LYS A 68 -22.575 3.736 2.861 1.00 -0.00 C HETATM 1440 CG LYS A 68 -23.061 3.529 1.437 1.00 -0.00 C HETATM 1441 SD LYS A 68 -21.849 4.171 0.265 1.00 -0.16 S HETATM 1442 CE LYS A 68 -22.067 5.929 0.493 1.00 -0.02 C HETATM 1443 H88 LYS A 68 -21.379 6.473 -0.171 1.00 0.03 H HETATM 1444 H89 LYS A 68 -21.852 6.192 1.539 1.00 0.03 H HETATM 1445 H90 LYS A 68 -23.104 6.204 0.251 1.00 0.03 H HETATM 1446 H86 LYS A 68 -24.016 4.058 1.298 1.00 0.04 H HETATM 1447 H87 LYS A 68 -23.207 2.454 1.256 1.00 0.04 H HETATM 1448 H84 LYS A 68 -22.567 4.815 3.076 1.00 0.03 H HETATM 1449 H85 LYS A 68 -23.271 3.230 3.546 1.00 0.03 H HETATM 1450 H83 LYS A 68 -20.488 3.658 2.378 1.00 0.08 H HETATM 1451 H82 LYS A 68 -22.028 1.262 2.744 1.00 0.19 H HETATM 1452 CB LYS A 68 -20.431 -0.724 1.053 1.00 -0.01 C HETATM 1453 CG LYS A 68 -20.282 -2.184 0.636 1.00 -0.04 C HETATM 1454 CD1 LYS A 68 -20.713 -2.372 -0.810 1.00 -0.06 C HETATM 1455 H76 LYS A 68 -20.599 -3.429 -1.092 1.00 0.02 H HETATM 1456 H77 LYS A 68 -20.086 -1.748 -1.464 1.00 0.02 H HETATM 1457 H78 LYS A 68 -21.766 -2.075 -0.920 1.00 0.02 H HETATM 1458 CD2 LYS A 68 -18.835 -2.639 0.824 1.00 -0.06 C HETATM 1459 H79 LYS A 68 -18.539 -2.497 1.874 1.00 0.02 H HETATM 1460 H80 LYS A 68 -18.176 -2.045 0.174 1.00 0.02 H HETATM 1461 H81 LYS A 68 -18.748 -3.703 0.560 1.00 0.02 H HETATM 1462 H75 LYS A 68 -20.930 -2.800 1.277 1.00 0.03 H HETATM 1463 H73 LYS A 68 -19.723 -0.126 0.461 1.00 0.03 H HETATM 1464 H74 LYS A 68 -21.459 -0.407 0.825 1.00 0.03 H HETATM 1465 H72 LYS A 68 -19.215 -0.926 2.813 1.00 0.08 H HETATM 1466 H71 LYS A 68 -22.090 -1.281 2.936 1.00 0.19 H HETATM 1467 CB LYS A 68 -22.199 -3.316 5.401 1.00 -0.02 C HETATM 1468 H68 LYS A 68 -21.253 -3.654 5.850 1.00 0.03 H HETATM 1469 H69 LYS A 68 -22.260 -3.673 4.362 1.00 0.03 H HETATM 1470 H70 LYS A 68 -23.044 -3.720 5.978 1.00 0.03 H HETATM 1471 H67 LYS A 68 -22.210 -1.448 6.465 1.00 0.08 H HETATM 1472 H66 LYS A 68 -24.080 -1.956 4.339 1.00 0.19 H HETATM 1473 CB LYS A 68 -26.373 0.284 5.102 1.00 0.04 C HETATM 1474 CG LYS A 68 -27.495 1.188 4.631 1.00 0.04 C HETATM 1475 OD1 LYS A 68 -27.235 2.067 3.782 1.00 -0.57 O HETATM 1476 OD2 LYS A 68 -28.633 1.027 5.108 1.00 -0.57 O HETATM 1477 H64 LYS A 68 -26.060 0.603 6.107 1.00 0.05 H HETATM 1478 H65 LYS A 68 -26.746 -0.750 5.145 1.00 0.05 H HETATM 1479 H63 LYS A 68 -25.057 1.363 3.805 1.00 0.08 H HETATM 1480 H62 LYS A 68 -26.122 -1.179 2.996 1.00 0.19 H HETATM 1481 CB LYS A 68 -25.772 -0.781 -0.137 1.00 -0.01 C HETATM 1482 CG LYS A 68 -25.396 0.588 -0.700 1.00 -0.04 C HETATM 1483 CD1 LYS A 68 -23.985 0.533 -1.227 1.00 -0.06 C HETATM 1484 H56 LYS A 68 -23.707 1.516 -1.634 1.00 0.02 H HETATM 1485 H57 LYS A 68 -23.920 -0.225 -2.022 1.00 0.02 H HETATM 1486 H58 LYS A 68 -23.298 0.268 -0.410 1.00 0.02 H HETATM 1487 CD2 LYS A 68 -26.333 0.951 -1.831 1.00 -0.06 C HETATM 1488 H59 LYS A 68 -27.365 0.993 -1.453 1.00 0.02 H HETATM 1489 H60 LYS A 68 -26.263 0.191 -2.623 1.00 0.02 H HETATM 1490 H61 LYS A 68 -26.052 1.933 -2.239 1.00 0.02 H HETATM 1491 H55 LYS A 68 -25.466 1.345 0.095 1.00 0.03 H HETATM 1492 H53 LYS A 68 -26.725 -0.672 0.402 1.00 0.03 H HETATM 1493 H54 LYS A 68 -25.907 -1.467 -0.986 1.00 0.03 H HETATM 1494 H52 LYS A 68 -23.814 -1.560 0.283 1.00 0.08 H HETATM 1495 H51 LYS A 68 -26.184 -2.987 1.092 1.00 0.19 H HETATM 1496 CB LYS A 68 -25.117 -5.886 1.076 1.00 0.00 C HETATM 1497 CG LYS A 68 -23.809 -6.124 0.342 1.00 0.04 C HETATM 1498 CD LYS A 68 -24.013 -6.861 -0.978 1.00 0.17 C HETATM 1499 OE1 LYS A 68 -25.120 -6.894 -1.529 1.00 -0.40 O HETATM 1500 NE2 LYS A 68 -22.944 -7.460 -1.487 1.00 -0.30 N HETATM 1501 H49 LYS A 68 -23.014 -7.959 -2.350 1.00 0.18 H HETATM 1502 H50 LYS A 68 -22.068 -7.412 -1.007 1.00 0.18 H HETATM 1503 H47 LYS A 68 -23.147 -6.724 0.984 1.00 0.05 H HETATM 1504 H48 LYS A 68 -23.337 -5.152 0.135 1.00 0.05 H HETATM 1505 H45 LYS A 68 -25.837 -5.471 0.355 1.00 0.03 H HETATM 1506 H46 LYS A 68 -25.480 -6.859 1.439 1.00 0.03 H HETATM 1507 H44 LYS A 68 -24.419 -5.387 3.050 1.00 0.08 H HETATM 1508 H43 LYS A 68 -27.159 -5.247 2.402 1.00 0.19 H HETATM 1509 CB LYS A 68 -28.584 -5.064 5.019 1.00 -0.02 C HETATM 1510 H40 LYS A 68 -27.937 -5.219 5.895 1.00 0.03 H HETATM 1511 H41 LYS A 68 -28.529 -5.945 4.362 1.00 0.03 H HETATM 1512 H42 LYS A 68 -29.622 -4.918 5.351 1.00 0.03 H HETATM 1513 H39 LYS A 68 -28.213 -2.955 4.914 1.00 0.08 H HETATM 1514 H38 LYS A 68 -29.630 -4.320 2.817 1.00 0.19 H HETATM 1515 CB LYS A 68 -31.211 -1.930 1.578 1.00 -0.02 C HETATM 1516 H35 LYS A 68 -31.118 -0.969 2.104 1.00 0.03 H HETATM 1517 H36 LYS A 68 -31.663 -2.674 2.250 1.00 0.03 H HETATM 1518 H37 LYS A 68 -31.848 -1.802 0.691 1.00 0.03 H HETATM 1519 H34 LYS A 68 -29.419 -1.667 0.450 1.00 0.08 H HETATM 1520 H33 LYS A 68 -30.812 -4.170 0.443 1.00 0.19 H HETATM 1521 CB LYS A 68 -29.774 -5.292 -2.251 1.00 -0.02 C HETATM 1522 H30 LYS A 68 -29.158 -4.602 -2.846 1.00 0.03 H HETATM 1523 H31 LYS A 68 -30.771 -4.854 -2.099 1.00 0.03 H HETATM 1524 H32 LYS A 68 -29.872 -6.249 -2.784 1.00 0.03 H HETATM 1525 H29 LYS A 68 -28.129 -5.992 -1.073 1.00 0.08 H HETATM 1526 H28 LYS A 68 -30.797 -6.770 -0.427 1.00 0.19 H HETATM 1527 CB LYS A 68 -30.304 -9.211 1.294 1.00 0.08 C HETATM 1528 OG LYS A 68 -28.957 -9.632 1.201 1.00 -0.39 O HETATM 1529 H27 LYS A 68 -28.925 -10.509 0.838 1.00 0.21 H HETATM 1530 H25 LYS A 68 -30.751 -9.219 0.289 1.00 0.06 H HETATM 1531 H26 LYS A 68 -30.852 -9.908 1.945 1.00 0.06 H HETATM 1532 H24 LYS A 68 -30.083 -7.830 2.922 1.00 0.08 H HETATM 1533 H23 LYS A 68 -32.496 -7.984 1.468 1.00 0.19 H HETATM 1534 CB LYS A 68 -33.919 -5.596 0.642 1.00 0.09 C HETATM 1535 OG1 LYS A 68 -32.964 -4.640 0.161 1.00 -0.39 O HETATM 1536 H19 LYS A 68 -33.057 -3.829 0.647 1.00 0.21 H HETATM 1537 CG2 LYS A 68 -35.341 -5.094 0.401 1.00 -0.03 C HETATM 1538 H20 LYS A 68 -35.491 -4.921 -0.675 1.00 0.03 H HETATM 1539 H21 LYS A 68 -35.495 -4.153 0.949 1.00 0.03 H HETATM 1540 H22 LYS A 68 -36.061 -5.847 0.755 1.00 0.03 H HETATM 1541 H18 LYS A 68 -33.786 -6.540 0.093 1.00 0.06 H HETATM 1542 H17 LYS A 68 -34.250 -6.727 2.451 1.00 0.08 H HETATM 1543 H16 LYS A 68 -34.123 -3.811 2.573 1.00 0.19 H HETATM 1544 CB LYS A 68 -33.463 -3.411 6.107 1.00 0.01 C HETATM 1545 CG LYS A 68 -32.198 -2.886 5.512 1.00 -0.04 C HETATM 1546 CD LYS A 68 -31.244 -2.436 6.614 1.00 -0.01 C HETATM 1547 CE LYS A 68 -30.502 -1.183 6.205 1.00 -0.04 C HETATM 1548 NZ LYS A 68 -29.612 -0.672 7.285 1.00 0.22 N HETATM 1549 H13 LYS A 68 -29.141 0.160 6.966 1.00 0.20 H HETATM 1550 H14 LYS A 68 -28.929 -1.376 7.519 1.00 0.20 H HETATM 1551 H15 LYS A 68 -30.163 -0.455 8.100 1.00 0.20 H HETATM 1552 H11 LYS A 68 -31.236 -0.404 5.954 1.00 0.08 H HETATM 1553 H12 LYS A 68 -29.890 -1.408 5.320 1.00 0.08 H HETATM 1554 H9 LYS A 68 -30.517 -3.237 6.811 1.00 0.03 H HETATM 1555 H10 LYS A 68 -31.820 -2.231 7.528 1.00 0.03 H HETATM 1556 H7 LYS A 68 -32.431 -2.030 4.861 1.00 0.03 H HETATM 1557 H8 LYS A 68 -31.719 -3.679 4.918 1.00 0.03 H HETATM 1558 H5 LYS A 68 -33.239 -4.371 6.595 1.00 0.03 H HETATM 1559 H6 LYS A 68 -33.812 -2.689 6.860 1.00 0.03 H HETATM 1560 H4 LYS A 68 -34.640 -2.778 4.421 1.00 0.11 H HETATM 1561 H1 LYS A 68 -35.996 -2.873 6.357 1.00 0.20 H HETATM 1562 H2 LYS A 68 -35.844 -4.509 6.446 1.00 0.20 H HETATM 1563 H3 LYS A 68 -36.615 -3.823 5.164 1.00 0.20 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 1341 1342 1561 1562 1563 CONECT 1342 1341 1343 1544 1560 CONECT 1343 1342 1344 1345 CONECT 1344 1343 CONECT 1345 1343 1346 1543 CONECT 1346 1345 1347 1534 1542 CONECT 1347 1346 1348 1349 CONECT 1348 1347 CONECT 1349 1347 1350 1533 CONECT 1350 1349 1351 1527 1532 CONECT 1351 1350 1352 1353 CONECT 1352 1351 CONECT 1353 1351 1354 1526 CONECT 1354 1353 1355 1521 1525 CONECT 1355 1354 1356 1357 CONECT 1356 1355 CONECT 1357 1355 1358 1520 CONECT 1358 1357 1359 1515 1519 CONECT 1359 1358 1360 1361 CONECT 1360 1359 CONECT 1361 1359 1362 1514 CONECT 1362 1361 1363 1509 1513 CONECT 1363 1362 1364 1365 CONECT 1364 1363 CONECT 1365 1363 1366 1508 CONECT 1366 1365 1367 1496 1507 CONECT 1367 1366 1368 1369 CONECT 1368 1367 CONECT 1369 1367 1370 1495 CONECT 1370 1369 1371 1481 1494 CONECT 1371 1370 1372 1373 CONECT 1372 1371 CONECT 1373 1371 1374 1480 CONECT 1374 1373 1375 1473 1479 CONECT 1375 1374 1376 1377 CONECT 1376 1375 CONECT 1377 1375 1378 1472 CONECT 1378 1377 1379 1467 1471 CONECT 1379 1378 1380 1381 CONECT 1380 1379 CONECT 1381 1379 1382 1466 CONECT 1382 1381 1383 1452 1465 CONECT 1383 1382 1384 1385 CONECT 1384 1383 CONECT 1385 1383 1386 1451 CONECT 1386 1385 1387 1439 1450 CONECT 1387 1386 1388 1389 CONECT 1388 1387 CONECT 1389 1387 1390 1438 CONECT 1390 1389 1391 1433 1437 CONECT 1391 1390 1392 1393 CONECT 1392 1391 CONECT 1393 1391 1394 1432 CONECT 1394 1393 1395 1427 1431 CONECT 1395 1394 1396 1397 CONECT 1396 1395 CONECT 1397 1395 1398 1426 CONECT 1398 1397 1399 1412 1425 CONECT 1399 1398 1400 1401 CONECT 1400 1399 CONECT 1401 1399 1402 1411 CONECT 1402 1401 1403 1406 1410 CONECT 1403 1402 1404 1405 CONECT 1404 1403 CONECT 1405 1403 CONECT 1406 1402 1407 1408 1409 CONECT 1407 1406 CONECT 1408 1406 CONECT 1409 1406 CONECT 1410 1402 CONECT 1411 1401 CONECT 1412 1398 1413 1423 1424 CONECT 1413 1412 1414 1418 1422 CONECT 1414 1413 1415 1416 1417 CONECT 1415 1414 CONECT 1416 1414 CONECT 1417 1414 CONECT 1418 1413 1419 1420 1421 CONECT 1419 1418 CONECT 1420 1418 CONECT 1421 1418 CONECT 1422 1413 CONECT 1423 1412 CONECT 1424 1412 CONECT 1425 1398 CONECT 1426 1397 CONECT 1427 1394 1428 1429 1430 CONECT 1428 1427 CONECT 1429 1427 CONECT 1430 1427 CONECT 1431 1394 CONECT 1432 1393 CONECT 1433 1390 1434 1435 1436 CONECT 1434 1433 CONECT 1435 1433 CONECT 1436 1433 CONECT 1437 1390 CONECT 1438 1389 CONECT 1439 1386 1440 1448 1449 CONECT 1440 1439 1441 1446 1447 CONECT 1441 1440 1442 CONECT 1442 1441 1443 1444 1445 CONECT 1443 1442 CONECT 1444 1442 CONECT 1445 1442 CONECT 1446 1440 CONECT 1447 1440 CONECT 1448 1439 CONECT 1449 1439 CONECT 1450 1386 CONECT 1451 1385 CONECT 1452 1382 1453 1463 1464 CONECT 1453 1452 1454 1458 1462 CONECT 1454 1453 1455 1456 1457 CONECT 1455 1454 CONECT 1456 1454 CONECT 1457 1454 CONECT 1458 1453 1459 1460 1461 CONECT 1459 1458 CONECT 1460 1458 CONECT 1461 1458 CONECT 1462 1453 CONECT 1463 1452 CONECT 1464 1452 CONECT 1465 1382 CONECT 1466 1381 CONECT 1467 1378 1468 1469 1470 CONECT 1468 1467 CONECT 1469 1467 CONECT 1470 1467 CONECT 1471 1378 CONECT 1472 1377 CONECT 1473 1374 1474 1477 1478 CONECT 1474 1473 1475 1476 CONECT 1475 1474 CONECT 1476 1474 CONECT 1477 1473 CONECT 1478 1473 CONECT 1479 1374 CONECT 1480 1373 CONECT 1481 1370 1482 1492 1493 CONECT 1482 1481 1483 1487 1491 CONECT 1483 1482 1484 1485 1486 CONECT 1484 1483 CONECT 1485 1483 CONECT 1486 1483 CONECT 1487 1482 1488 1489 1490 CONECT 1488 1487 CONECT 1489 1487 CONECT 1490 1487 CONECT 1491 1482 CONECT 1492 1481 CONECT 1493 1481 CONECT 1494 1370 CONECT 1495 1369 CONECT 1496 1366 1497 1505 1506 CONECT 1497 1496 1498 1503 1504 CONECT 1498 1497 1499 1500 CONECT 1499 1498 CONECT 1500 1498 1501 1502 CONECT 1501 1500 CONECT 1502 1500 CONECT 1503 1497 CONECT 1504 1497 CONECT 1505 1496 CONECT 1506 1496 CONECT 1507 1366 CONECT 1508 1365 CONECT 1509 1362 1510 1511 1512 CONECT 1510 1509 CONECT 1511 1509 CONECT 1512 1509 CONECT 1513 1362 CONECT 1514 1361 CONECT 1515 1358 1516 1517 1518 CONECT 1516 1515 CONECT 1517 1515 CONECT 1518 1515 CONECT 1519 1358 CONECT 1520 1357 CONECT 1521 1354 1522 1523 1524 CONECT 1522 1521 CONECT 1523 1521 CONECT 1524 1521 CONECT 1525 1354 CONECT 1526 1353 CONECT 1527 1350 1528 1530 1531 CONECT 1528 1527 1529 CONECT 1529 1528 CONECT 1530 1527 CONECT 1531 1527 CONECT 1532 1350 CONECT 1533 1349 CONECT 1534 1346 1535 1537 1541 CONECT 1535 1534 1536 CONECT 1536 1535 CONECT 1537 1534 1538 1539 1540 CONECT 1538 1537 CONECT 1539 1537 CONECT 1540 1537 CONECT 1541 1534 CONECT 1542 1346 CONECT 1543 1345 CONECT 1544 1342 1545 1558 1559 CONECT 1545 1544 1546 1556 1557 CONECT 1546 1545 1547 1554 1555 CONECT 1547 1546 1548 1552 1553 CONECT 1548 1547 1549 1550 1551 CONECT 1549 1548 CONECT 1550 1548 CONECT 1551 1548 CONECT 1552 1547 CONECT 1553 1547 CONECT 1554 1546 CONECT 1555 1546 CONECT 1556 1545 CONECT 1557 1545 CONECT 1558 1544 CONECT 1559 1544 CONECT 1560 1342 CONECT 1561 1341 CONECT 1562 1341 CONECT 1563 1341 MASTER 0 0 0 0 0 0 0 0 1562 1 227 11 END
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Entry Information
PDB ID
4xek
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Proline-rich tyrosine kinase 2 (Pyk2) FAT domain
Ligand Name
19-mer
EC.Number
E.C.2.7.10.2
Resolution
1.79(Å)
Affinity (Kd/Ki/IC50)
Kd=2.2uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Biochemistry Vol. 55: pp. 1332-1345
Ligand Properties
Formula
C
6
6
H
1
1
8
N
1
8
O
2
2
S
Molecular Weight
1547.820
Exact Mass
1546.840
No. of atoms
225
No. of bonds
224
Polar Surface Area
675.23
LOGP Value
-6.08 (
Computed with XLOGP3
)
-1.93 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 20
No. of Hydrogen Bond Acceptors: 22
No. of Rotatable Bonds: 66
No. of Nitrogen and Oxygen Atoms: 40
No. of Rings: 0
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)CC(C)C)C)C)CCSC)CC(C)C)C)CC(=O)O)CC(C)C)CCC(=O)N)C)C)C)CO)[C@H](O)C)[NH3+]
InChI String
InChI=1S/C66H116N18O22S/c1-29(2)24-43(60(99)76-38(13)66(105)106)79-55(94)36(11)72-52(91)33(8)73-58(97)42(21-23-107-15)78-62(101)44(25-30(3)4)80-56(95)37(12)74-61(100)46(27-49(88)89)82-63(102)45(26-31(5)6)81-59(98)41(19-20-48(69)87)77-54(93)35(10)71-51(90)32(7)70-53(92)34(9)75-64(103)47(28-85)83-65(104)50(39(14)86)84-57(96)40(68)18-16-17-22-67/h29-47,50,85-86H,16-28,67-68H2,1-15H3,(H2,69,87)(H,70,92)(H,71,90)(H,72,91)(H,73,97)(H,74,100)(H,75,103)(H,76,99)(H,77,93)(H,78,101)(H,79,94)(H,80,95)(H,81,98)(H,82,102)(H,83,104)(H,84,96)(H,88,89)(H,105,106)/p+2/t32-,33-,34-,35-,36-,37-,38-,39+,40-,41-,42-,43-,44-,45-,46-,47-,50-/m0/s1
Links to External Databases
RCSB PDB
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PDBsum
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UniProtKB AC
UniProt accession number (AC):
O60711
Q14289
Entrez Gene ID
NCBI Entrez Gene ID:
9404
2185
ASD
Information of known allosteric effects of PDB entries
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