Browse entries in the PDBbind-CN Database
HEADER 3U3F_COMPLEX COMPND 3U3F_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 130 THR ASP ASP LEU VAL TYR LEU ASN VAL MET GLU LEU VAL SEQRES 2 A 130 ARG ALA VAL LEU GLU LEU LYS ASN GLU LEU SER GLN LEU SEQRES 3 A 130 PRO PRO GLU GLY TYR VAL VAL VAL VAL LYS ASN VAL GLY SEQRES 4 A 130 LEU THR LEU ARG LYS LEU ILE GLY SER VAL ASP ASP LEU SEQRES 5 A 130 LEU PRO SER LEU PRO SER SER SER ARG THR GLU ILE GLU SEQRES 6 A 130 GLY THR GLN LYS LEU LEU ASN LYS ASP LEU ALA GLU LEU SEQRES 7 A 130 ILE ASN LYS MET ARG LEU ALA GLN GLN ASN ALA VAL THR SEQRES 8 A 130 SER LEU SER GLU GLU CYS LYS ARG GLN MET LEU THR ALA SEQRES 9 A 130 SER HIS THR LEU ALA VAL ASP ALA LYS ASN LEU LEU ASP SEQRES 10 A 130 ALA VAL ASP GLN ALA LYS VAL LEU ALA ASN LEU ALA HIS HET SER A 133 174 ATOM 1 N THR A 876 -11.522 -16.014 22.824 1.00109.50 N ATOM 2 CA THR A 876 -10.697 -17.216 22.801 1.00149.32 C ATOM 3 C THR A 876 -10.010 -17.449 24.150 1.00158.38 C ATOM 4 O THR A 876 -10.595 -18.001 25.086 1.00129.42 O ATOM 5 CB THR A 876 -9.659 -17.108 21.691 1.00139.41 C ATOM 6 HN3 THR A 876 -10.925 -15.189 23.038 1.00 0.00 H ATOM 7 HN2 THR A 876 -12.255 -16.112 23.555 1.00 0.00 H ATOM 8 HN1 THR A 876 -11.972 -15.886 21.895 1.00 0.00 H ATOM 9 N ASP A 877 -8.751 -17.036 24.231 1.00175.91 N ATOM 10 CA ASP A 877 -7.997 -17.089 25.479 1.00170.22 C ATOM 11 C ASP A 877 -8.127 -15.759 26.235 1.00164.45 C ATOM 12 O ASP A 877 -7.453 -15.530 27.254 1.00121.04 O ATOM 13 CB ASP A 877 -6.521 -17.428 25.203 1.00171.20 C ATOM 14 CG ASP A 877 -5.850 -16.452 24.221 1.00175.07 C ATOM 15 OD1 ASP A 877 -6.531 -15.560 23.669 1.00169.11 O ATOM 16 OD2 ASP A 877 -4.629 -16.589 23.990 1.00159.50 O ATOM 17 H ASP A 877 -8.287 -16.663 23.378 1.00 0.00 H ATOM 18 N ASP A 878 -8.994 -14.889 25.713 1.00151.58 N ATOM 19 CA ASP A 878 -9.196 -13.559 26.268 1.00137.39 C ATOM 20 C ASP A 878 -10.270 -13.578 27.353 1.00122.60 C ATOM 21 O ASP A 878 -11.455 -13.755 27.068 1.00117.30 O ATOM 22 CB ASP A 878 -9.568 -12.576 25.156 1.00130.12 C ATOM 23 CG ASP A 878 -9.396 -11.123 25.576 1.00139.81 C ATOM 24 OD1 ASP A 878 -8.824 -10.867 26.667 1.00119.70 O ATOM 25 OD2 ASP A 878 -9.824 -10.238 24.800 1.00115.35 O ATOM 26 H ASP A 878 -9.546 -15.172 24.878 1.00 0.00 H ATOM 27 N LEU A 879 -9.843 -13.397 28.598 1.00119.96 N ATOM 28 CA LEU A 879 -10.763 -13.376 29.726 1.00112.57 C ATOM 29 C LEU A 879 -11.639 -12.135 29.696 1.00113.91 C ATOM 30 O LEU A 879 -12.861 -12.212 29.857 1.00125.03 O ATOM 31 CB LEU A 879 -9.998 -13.438 31.048 1.00116.97 C ATOM 32 CG LEU A 879 -9.383 -14.801 31.355 1.00125.70 C ATOM 33 CD1 LEU A 879 -8.766 -14.829 32.753 1.00 93.74 C ATOM 34 CD2 LEU A 879 -10.441 -15.885 31.193 1.00 98.40 C ATOM 35 H LEU A 879 -8.826 -13.267 28.771 1.00 0.00 H ATOM 36 N VAL A 880 -11.015 -10.986 29.485 1.00100.39 N ATOM 37 CA VAL A 880 -11.764 -9.745 29.424 1.00 90.09 C ATOM 38 C VAL A 880 -12.942 -9.871 28.468 1.00 87.22 C ATOM 39 O VAL A 880 -14.060 -9.480 28.787 1.00103.75 O ATOM 40 CB VAL A 880 -10.875 -8.605 28.983 1.00 96.50 C ATOM 41 CG1 VAL A 880 -11.689 -7.322 28.860 1.00 57.62 C ATOM 42 CG2 VAL A 880 -9.722 -8.456 29.968 1.00 92.90 C ATOM 43 H VAL A 880 -9.982 -10.973 29.362 1.00 0.00 H ATOM 44 N TYR A 881 -12.687 -10.441 27.300 1.00 95.01 N ATOM 45 CA TYR A 881 -13.739 -10.695 26.329 1.00100.23 C ATOM 46 C TYR A 881 -14.865 -11.534 26.938 1.00104.49 C ATOM 47 O TYR A 881 -16.053 -11.238 26.764 1.00 85.61 O ATOM 48 CB TYR A 881 -13.151 -11.415 25.113 1.00102.27 C ATOM 49 CG TYR A 881 -14.180 -11.815 24.083 1.00106.87 C ATOM 50 CD1 TYR A 881 -14.640 -10.900 23.145 1.00 98.90 C ATOM 51 CD2 TYR A 881 -14.693 -13.107 24.046 1.00101.07 C ATOM 52 CE1 TYR A 881 -15.583 -11.253 22.204 1.00 82.82 C ATOM 53 CE2 TYR A 881 -15.637 -13.471 23.100 1.00 89.33 C ATOM 54 CZ TYR A 881 -16.077 -12.536 22.182 1.00 96.47 C ATOM 55 OH TYR A 881 -17.018 -12.879 21.235 1.00112.09 O ATOM 56 HH TYR A 881 -17.214 -12.093 20.666 1.00 0.00 H ATOM 57 H TYR A 881 -11.710 -10.714 27.072 1.00 0.00 H ATOM 58 N LEU A 882 -14.482 -12.584 27.651 1.00 96.81 N ATOM 59 CA LEU A 882 -15.456 -13.510 28.203 1.00103.28 C ATOM 60 C LEU A 882 -16.344 -12.861 29.253 1.00105.45 C ATOM 61 O LEU A 882 -17.565 -13.011 29.216 1.00102.71 O ATOM 62 CB LEU A 882 -14.758 -14.738 28.788 1.00124.89 C ATOM 63 CG LEU A 882 -14.258 -15.760 27.765 1.00123.00 C ATOM 64 CD1 LEU A 882 -13.167 -16.631 28.361 1.00117.25 C ATOM 65 CD2 LEU A 882 -15.413 -16.606 27.246 1.00103.26 C ATOM 66 H LEU A 882 -13.469 -12.747 27.818 1.00 0.00 H ATOM 67 N ASN A 883 -15.738 -12.145 30.192 1.00 94.26 N ATOM 68 CA ASN A 883 -16.519 -11.546 31.259 1.00 98.82 C ATOM 69 C ASN A 883 -17.435 -10.491 30.681 1.00 97.24 C ATOM 70 O ASN A 883 -18.560 -10.305 31.141 1.00 91.06 O ATOM 71 CB ASN A 883 -15.609 -10.956 32.319 1.00 92.19 C ATOM 72 CG ASN A 883 -14.546 -11.922 32.754 1.00 90.75 C ATOM 73 OD1 ASN A 883 -13.390 -11.551 32.928 1.00 94.68 O ATOM 74 ND2 ASN A 883 -14.925 -13.182 32.912 1.00 99.34 N ATOM 75 HD22 ASN A 883 -15.917 -13.450 32.753 1.00 0.00 H ATOM 76 HD21 ASN A 883 -14.230 -13.902 33.195 1.00 0.00 H ATOM 77 H ASN A 883 -14.707 -12.014 30.163 1.00 0.00 H ATOM 78 N VAL A 884 -16.957 -9.820 29.645 1.00 84.60 N ATOM 79 CA VAL A 884 -17.790 -8.873 28.929 1.00 85.42 C ATOM 80 C VAL A 884 -19.010 -9.545 28.302 1.00 90.55 C ATOM 81 O VAL A 884 -20.067 -8.930 28.157 1.00 85.77 O ATOM 82 CB VAL A 884 -16.999 -8.163 27.847 1.00 82.31 C ATOM 83 CG1 VAL A 884 -17.945 -7.499 26.869 1.00 78.69 C ATOM 84 CG2 VAL A 884 -16.063 -7.150 28.479 1.00 82.63 C ATOM 85 H VAL A 884 -15.974 -9.973 29.341 1.00 0.00 H ATOM 86 N MET A 885 -18.851 -10.806 27.921 1.00100.01 N ATOM 87 CA MET A 885 -19.949 -11.573 27.360 1.00 78.74 C ATOM 88 C MET A 885 -20.827 -12.150 28.448 1.00 92.27 C ATOM 89 O MET A 885 -22.037 -12.241 28.270 1.00 87.10 O ATOM 90 CB MET A 885 -19.421 -12.701 26.491 1.00103.65 C ATOM 91 CG MET A 885 -19.310 -12.371 25.029 1.00102.13 C ATOM 92 SD MET A 885 -19.411 -13.921 24.127 1.00150.66 S ATOM 93 CE MET A 885 -18.253 -14.908 25.084 1.00 96.33 C ATOM 94 H MET A 885 -17.919 -11.255 28.027 1.00 0.00 H ATOM 95 N GLU A 886 -20.218 -12.552 29.565 1.00 97.65 N ATOM 96 CA GLU A 886 -20.984 -13.100 30.679 1.00 82.23 C ATOM 97 C GLU A 886 -21.920 -12.010 31.151 1.00 91.27 C ATOM 98 O GLU A 886 -23.109 -12.245 31.389 1.00 73.58 O ATOM 99 CB GLU A 886 -20.075 -13.540 31.828 1.00 97.74 C ATOM 100 CG GLU A 886 -19.420 -14.915 31.650 1.00136.80 C ATOM 101 CD GLU A 886 -18.808 -15.446 32.948 1.00165.12 C ATOM 102 OE1 GLU A 886 -17.671 -15.986 32.906 1.00150.45 O ATOM 103 OE2 GLU A 886 -19.469 -15.320 34.011 1.00149.06 O ATOM 104 H GLU A 886 -19.184 -12.474 29.642 1.00 0.00 H ATOM 105 N LEU A 887 -21.368 -10.802 31.230 1.00 91.88 N ATOM 106 CA LEU A 887 -22.080 -9.633 31.724 1.00 75.50 C ATOM 107 C LEU A 887 -23.202 -9.170 30.805 1.00 84.35 C ATOM 108 O LEU A 887 -24.229 -8.695 31.281 1.00 92.30 O ATOM 109 CB LEU A 887 -21.107 -8.492 31.986 1.00 77.48 C ATOM 110 CG LEU A 887 -21.732 -7.230 32.576 1.00 75.34 C ATOM 111 CD1 LEU A 887 -20.808 -6.591 33.583 1.00 84.96 C ATOM 112 CD2 LEU A 887 -22.027 -6.257 31.477 1.00 94.02 C ATOM 113 H LEU A 887 -20.381 -10.688 30.924 1.00 0.00 H ATOM 114 N VAL A 888 -23.019 -9.290 29.495 1.00 85.02 N ATOM 115 CA VAL A 888 -24.114 -8.963 28.587 1.00 76.73 C ATOM 116 C VAL A 888 -25.202 -10.024 28.680 1.00 95.23 C ATOM 117 O VAL A 888 -26.386 -9.742 28.457 1.00 82.76 O ATOM 118 CB VAL A 888 -23.676 -8.850 27.124 1.00 80.55 C ATOM 119 CG1 VAL A 888 -24.858 -8.397 26.281 1.00 60.41 C ATOM 120 CG2 VAL A 888 -22.504 -7.891 26.980 1.00 73.69 C ATOM 121 H VAL A 888 -22.105 -9.614 29.120 1.00 0.00 H ATOM 122 N ARG A 889 -24.794 -11.252 28.993 1.00 95.13 N ATOM 123 CA ARG A 889 -25.753 -12.329 29.171 1.00 96.06 C ATOM 124 C ARG A 889 -26.599 -11.992 30.378 1.00101.10 C ATOM 125 O ARG A 889 -27.829 -12.015 30.311 1.00 86.39 O ATOM 126 CB ARG A 889 -25.055 -13.682 29.359 1.00120.73 C ATOM 127 CG ARG A 889 -24.461 -14.291 28.074 1.00138.15 C ATOM 128 CD ARG A 889 -24.009 -15.757 28.262 1.00122.88 C ATOM 129 NE ARG A 889 -22.643 -16.000 27.782 1.00140.91 N ATOM 130 CZ ARG A 889 -22.305 -16.186 26.504 1.00154.36 C ATOM 131 NH1 ARG A 889 -23.233 -16.150 25.551 1.00125.03 N ATOM 132 NH2 ARG A 889 -21.032 -16.402 26.176 1.00123.23 N ATOM 133 HE ARG A 889 -21.882 -16.029 28.490 1.00 0.00 H ATOM 134 HH12 ARG A 889 -22.964 -16.296 24.557 1.00 0.00 H ATOM 135 HH11 ARG A 889 -24.228 -15.976 25.800 1.00 0.00 H ATOM 136 HH22 ARG A 889 -20.769 -16.547 25.180 1.00 0.00 H ATOM 137 HH21 ARG A 889 -20.301 -16.426 26.916 1.00 0.00 H ATOM 138 H ARG A 889 -23.778 -11.442 29.111 1.00 0.00 H ATOM 139 N ALA A 890 -25.921 -11.642 31.470 1.00 89.52 N ATOM 140 CA ALA A 890 -26.585 -11.277 32.720 1.00101.85 C ATOM 141 C ALA A 890 -27.571 -10.124 32.545 1.00 96.87 C ATOM 142 O ALA A 890 -28.568 -10.044 33.268 1.00 97.97 O ATOM 143 CB ALA A 890 -25.565 -10.935 33.784 1.00 80.87 C ATOM 144 H ALA A 890 -24.882 -11.628 31.432 1.00 0.00 H ATOM 145 N VAL A 891 -27.282 -9.235 31.594 1.00 90.51 N ATOM 146 CA VAL A 891 -28.153 -8.100 31.308 1.00 81.62 C ATOM 147 C VAL A 891 -29.388 -8.555 30.548 1.00 85.60 C ATOM 148 O VAL A 891 -30.471 -8.005 30.729 1.00103.94 O ATOM 149 CB VAL A 891 -27.421 -6.970 30.538 1.00 74.63 C ATOM 150 CG1 VAL A 891 -28.399 -5.914 30.056 1.00 64.49 C ATOM 151 CG2 VAL A 891 -26.379 -6.326 31.420 1.00 69.84 C ATOM 152 H VAL A 891 -26.410 -9.354 31.040 1.00 0.00 H ATOM 153 N LEU A 892 -29.236 -9.571 29.708 1.00 89.45 N ATOM 154 CA LEU A 892 -30.362 -10.010 28.895 1.00 93.64 C ATOM 155 C LEU A 892 -31.311 -10.862 29.705 1.00100.87 C ATOM 156 O LEU A 892 -32.525 -10.820 29.501 1.00 92.93 O ATOM 157 CB LEU A 892 -29.895 -10.757 27.653 1.00 80.45 C ATOM 158 CG LEU A 892 -29.423 -9.856 26.515 1.00110.69 C ATOM 159 CD1 LEU A 892 -29.376 -10.653 25.237 1.00144.08 C ATOM 160 CD2 LEU A 892 -30.346 -8.653 26.352 1.00119.61 C ATOM 161 H LEU A 892 -28.317 -10.052 29.631 1.00 0.00 H ATOM 162 N GLU A 893 -30.752 -11.637 30.625 1.00 89.81 N ATOM 163 CA GLU A 893 -31.569 -12.419 31.528 1.00 98.91 C ATOM 164 C GLU A 893 -32.476 -11.469 32.296 1.00109.75 C ATOM 165 O GLU A 893 -33.711 -11.547 32.209 1.00107.32 O ATOM 166 CB GLU A 893 -30.675 -13.204 32.476 1.00 97.70 C ATOM 167 CG GLU A 893 -29.717 -14.140 31.759 1.00129.63 C ATOM 168 CD GLU A 893 -28.879 -14.962 32.717 1.00167.36 C ATOM 169 OE1 GLU A 893 -27.633 -14.844 32.654 1.00143.66 O ATOM 170 OE2 GLU A 893 -29.466 -15.717 33.527 1.00172.19 O ATOM 171 H GLU A 893 -29.716 -11.683 30.698 1.00 0.00 H ATOM 172 N LEU A 894 -31.849 -10.544 33.016 1.00104.84 N ATOM 173 CA LEU A 894 -32.574 -9.497 33.721 1.00112.59 C ATOM 174 C LEU A 894 -33.726 -8.953 32.874 1.00100.95 C ATOM 175 O LEU A 894 -34.828 -8.751 33.375 1.00 96.65 O ATOM 176 CB LEU A 894 -31.617 -8.370 34.106 1.00 86.15 C ATOM 177 CG LEU A 894 -32.121 -7.225 34.980 1.00 83.09 C ATOM 178 CD1 LEU A 894 -30.952 -6.538 35.644 1.00 85.16 C ATOM 179 CD2 LEU A 894 -32.908 -6.231 34.160 1.00 76.76 C ATOM 180 H LEU A 894 -30.811 -10.569 33.077 1.00 0.00 H ATOM 181 N LYS A 895 -33.483 -8.742 31.586 1.00 90.64 N ATOM 182 CA LYS A 895 -34.495 -8.129 30.731 1.00106.18 C ATOM 183 C LYS A 895 -35.813 -8.905 30.709 1.00107.72 C ATOM 184 O LYS A 895 -36.887 -8.334 30.910 1.00103.35 O ATOM 185 CB LYS A 895 -33.964 -7.902 29.308 1.00105.90 C ATOM 186 CG LYS A 895 -32.857 -6.841 29.220 1.00114.76 C ATOM 187 CD LYS A 895 -32.880 -6.088 27.884 1.00138.81 C ATOM 188 CE LYS A 895 -32.000 -4.831 27.930 1.00128.71 C ATOM 189 NZ LYS A 895 -32.331 -3.833 26.858 1.00 99.99 N ATOM 190 HZ1 LYS A 895 -32.201 -4.273 25.925 1.00 0.00 H ATOM 191 HZ2 LYS A 895 -33.319 -3.528 26.964 1.00 0.00 H ATOM 192 HZ3 LYS A 895 -31.701 -3.010 26.946 1.00 0.00 H ATOM 193 H LYS A 895 -32.564 -9.016 31.183 1.00 0.00 H ATOM 194 N ASN A 896 -35.739 -10.208 30.478 1.00105.45 N ATOM 195 CA ASN A 896 -36.964 -10.991 30.354 1.00132.95 C ATOM 196 C ASN A 896 -37.343 -11.732 31.627 1.00122.84 C ATOM 197 O ASN A 896 -38.108 -12.693 31.585 1.00128.17 O ATOM 198 CB ASN A 896 -36.886 -11.944 29.153 1.00131.98 C ATOM 199 CG ASN A 896 -35.758 -12.951 29.276 1.00146.54 C ATOM 200 OD1 ASN A 896 -34.578 -12.588 29.261 1.00132.63 O ATOM 201 ND2 ASN A 896 -36.116 -14.228 29.389 1.00140.97 N ATOM 202 HD22 ASN A 896 -37.123 -14.487 29.397 1.00 0.00 H ATOM 203 HD21 ASN A 896 -35.389 -14.967 29.469 1.00 0.00 H ATOM 204 H ASN A 896 -34.812 -10.670 30.386 1.00 0.00 H ATOM 205 N GLU A 897 -36.819 -11.275 32.758 1.00115.61 N ATOM 206 CA GLU A 897 -37.105 -11.940 34.020 1.00109.24 C ATOM 207 C GLU A 897 -37.547 -11.002 35.144 1.00104.10 C ATOM 208 O GLU A 897 -37.670 -11.421 36.290 1.00108.23 O ATOM 209 CB GLU A 897 -35.925 -12.801 34.460 1.00 94.36 C ATOM 210 CG GLU A 897 -34.745 -12.019 34.965 1.00104.82 C ATOM 211 CD GLU A 897 -33.556 -12.911 35.279 1.00150.60 C ATOM 212 OE1 GLU A 897 -33.723 -14.157 35.259 1.00149.90 O ATOM 213 OE2 GLU A 897 -32.455 -12.367 35.541 1.00149.31 O ATOM 214 H GLU A 897 -36.202 -10.438 32.742 1.00 0.00 H ATOM 215 N LEU A 898 -37.770 -9.733 34.820 1.00111.15 N ATOM 216 CA LEU A 898 -38.556 -8.876 35.693 1.00100.28 C ATOM 217 C LEU A 898 -40.005 -9.277 35.469 1.00119.54 C ATOM 218 O LEU A 898 -40.848 -9.188 36.368 1.00109.74 O ATOM 219 CB LEU A 898 -38.359 -7.404 35.340 1.00 90.70 C ATOM 220 CG LEU A 898 -36.921 -6.910 35.456 1.00109.33 C ATOM 221 CD1 LEU A 898 -36.868 -5.391 35.569 1.00 96.28 C ATOM 222 CD2 LEU A 898 -36.230 -7.564 36.647 1.00115.19 C ATOM 223 H LEU A 898 -37.380 -9.350 33.936 1.00 0.00 H ATOM 224 N SER A 899 -40.270 -9.734 34.246 1.00129.67 N ATOM 225 CA SER A 899 -41.594 -10.178 33.824 1.00126.89 C ATOM 226 C SER A 899 -42.034 -11.349 34.685 1.00125.94 C ATOM 227 O SER A 899 -43.212 -11.489 35.020 1.00109.81 O ATOM 228 CB SER A 899 -41.560 -10.597 32.349 1.00115.10 C ATOM 229 OG SER A 899 -40.868 -9.638 31.560 1.00146.58 O ATOM 230 HG SER A 899 -40.861 -9.933 30.615 1.00 0.00 H ATOM 231 H SER A 899 -39.493 -9.776 33.556 1.00 0.00 H ATOM 232 N GLN A 900 -41.070 -12.186 35.048 1.00109.83 N ATOM 233 CA GLN A 900 -41.361 -13.379 35.823 1.00109.47 C ATOM 234 C GLN A 900 -41.037 -13.247 37.303 1.00106.99 C ATOM 235 O GLN A 900 -41.156 -14.222 38.045 1.00115.02 O ATOM 236 CB GLN A 900 -40.635 -14.598 35.246 1.00105.88 C ATOM 237 CG GLN A 900 -41.413 -15.333 34.169 1.00114.11 C ATOM 238 CD GLN A 900 -40.836 -15.111 32.783 1.00154.67 C ATOM 239 OE1 GLN A 900 -41.438 -14.429 31.947 1.00144.55 O ATOM 240 NE2 GLN A 900 -39.660 -15.689 32.530 1.00139.93 N ATOM 241 HE22 GLN A 900 -39.190 -16.255 33.265 1.00 0.00 H ATOM 242 HE21 GLN A 900 -39.214 -15.574 31.598 1.00 0.00 H ATOM 243 H GLN A 900 -40.088 -11.984 34.772 1.00 0.00 H ATOM 244 N LEU A 901 -40.623 -12.062 37.741 1.00111.12 N ATOM 245 CA LEU A 901 -40.212 -11.897 39.137 1.00 95.40 C ATOM 246 C LEU A 901 -41.045 -10.899 39.929 1.00 89.27 C ATOM 247 O LEU A 901 -41.587 -9.944 39.373 1.00111.99 O ATOM 248 CB LEU A 901 -38.730 -11.524 39.233 1.00 85.87 C ATOM 249 CG LEU A 901 -37.723 -12.649 38.994 1.00 94.64 C ATOM 250 CD1 LEU A 901 -36.310 -12.136 39.140 1.00 94.87 C ATOM 251 CD2 LEU A 901 -37.967 -13.762 39.968 1.00 86.51 C ATOM 252 H LEU A 901 -40.591 -11.251 37.091 1.00 0.00 H ATOM 253 N PRO A 902 -41.154 -11.134 41.242 1.00 90.13 N ATOM 254 CA PRO A 902 -41.762 -10.191 42.172 1.00 96.68 C ATOM 255 C PRO A 902 -40.723 -9.186 42.634 1.00104.32 C ATOM 256 O PRO A 902 -39.547 -9.534 42.744 1.00115.37 O ATOM 257 CB PRO A 902 -42.140 -11.084 43.344 1.00 95.76 C ATOM 258 CG PRO A 902 -41.048 -12.078 43.384 1.00 92.56 C ATOM 259 CD PRO A 902 -40.724 -12.363 41.933 1.00108.39 C ATOM 260 N PRO A 903 -41.158 -7.949 42.904 1.00115.41 N ATOM 261 CA PRO A 903 -40.361 -6.840 43.432 1.00103.00 C ATOM 262 C PRO A 903 -39.226 -7.227 44.385 1.00 94.45 C ATOM 263 O PRO A 903 -38.150 -6.649 44.271 1.00 96.05 O ATOM 264 CB PRO A 903 -41.417 -6.008 44.148 1.00 99.25 C ATOM 265 CG PRO A 903 -42.620 -6.130 43.208 1.00103.16 C ATOM 266 CD PRO A 903 -42.512 -7.495 42.537 1.00109.01 C ATOM 267 N GLU A 904 -39.442 -8.179 45.290 1.00120.19 N ATOM 268 CA GLU A 904 -38.398 -8.556 46.252 1.00101.76 C ATOM 269 C GLU A 904 -37.198 -9.191 45.551 1.00 97.20 C ATOM 270 O GLU A 904 -36.049 -9.016 45.966 1.00 90.57 O ATOM 271 CB GLU A 904 -38.944 -9.512 47.326 1.00107.57 C ATOM 272 CG GLU A 904 -40.019 -8.922 48.234 1.00148.30 C ATOM 273 CD GLU A 904 -41.417 -8.978 47.626 1.00150.32 C ATOM 274 OE1 GLU A 904 -41.566 -9.501 46.498 1.00116.76 O ATOM 275 OE2 GLU A 904 -42.370 -8.495 48.281 1.00150.67 O ATOM 276 H GLU A 904 -40.362 -8.662 45.316 1.00 0.00 H ATOM 277 N GLY A 905 -37.482 -9.925 44.481 1.00 96.75 N ATOM 278 CA GLY A 905 -36.463 -10.646 43.743 1.00 90.95 C ATOM 279 C GLY A 905 -35.530 -9.792 42.903 1.00101.01 C ATOM 280 O GLY A 905 -34.437 -10.241 42.558 1.00 89.90 O ATOM 281 H GLY A 905 -38.470 -9.985 44.161 1.00 0.00 H ATOM 282 N TYR A 906 -35.942 -8.569 42.571 1.00100.58 N ATOM 283 CA TYR A 906 -35.123 -7.701 41.724 1.00 78.34 C ATOM 284 C TYR A 906 -33.753 -7.456 42.365 1.00 74.36 C ATOM 285 O TYR A 906 -32.789 -7.115 41.692 1.00 78.06 O ATOM 286 CB TYR A 906 -35.803 -6.356 41.461 1.00 84.88 C ATOM 287 CG TYR A 906 -37.176 -6.392 40.815 1.00 83.99 C ATOM 288 CD1 TYR A 906 -38.057 -5.326 40.974 1.00 84.25 C ATOM 289 CD2 TYR A 906 -37.587 -7.462 40.046 1.00 81.61 C ATOM 290 CE1 TYR A 906 -39.312 -5.328 40.394 1.00 85.14 C ATOM 291 CE2 TYR A 906 -38.851 -7.474 39.456 1.00109.19 C ATOM 292 CZ TYR A 906 -39.711 -6.403 39.633 1.00108.16 C ATOM 293 OH TYR A 906 -40.973 -6.404 39.052 1.00102.12 O ATOM 294 HH TYR A 906 -41.443 -5.564 39.285 1.00 0.00 H ATOM 295 H TYR A 906 -36.860 -8.226 42.919 1.00 0.00 H ATOM 296 N VAL A 907 -33.663 -7.627 43.671 1.00 76.40 N ATOM 297 CA VAL A 907 -32.383 -7.482 44.341 1.00 70.67 C ATOM 298 C VAL A 907 -31.371 -8.547 43.916 1.00 94.61 C ATOM 299 O VAL A 907 -30.195 -8.250 43.719 1.00 89.50 O ATOM 300 CB VAL A 907 -32.544 -7.608 45.846 1.00 87.74 C ATOM 301 CG1 VAL A 907 -31.240 -7.237 46.522 1.00 79.43 C ATOM 302 CG2 VAL A 907 -33.700 -6.747 46.341 1.00 95.40 C ATOM 303 H VAL A 907 -34.512 -7.866 44.222 1.00 0.00 H ATOM 304 N VAL A 908 -31.828 -9.795 43.804 1.00102.69 N ATOM 305 CA VAL A 908 -30.945 -10.902 43.448 1.00 82.81 C ATOM 306 C VAL A 908 -30.415 -10.719 42.033 1.00 90.52 C ATOM 307 O VAL A 908 -29.209 -10.829 41.802 1.00 79.29 O ATOM 308 CB VAL A 908 -31.651 -12.243 43.589 1.00 73.53 C ATOM 309 H VAL A 908 -32.836 -9.984 43.974 1.00 0.00 H ATOM 310 N VAL A 909 -31.296 -10.419 41.081 1.00 68.56 N ATOM 311 CA VAL A 909 -30.833 -10.297 39.700 1.00 88.47 C ATOM 312 C VAL A 909 -29.746 -9.236 39.537 1.00 88.43 C ATOM 313 O VAL A 909 -28.713 -9.481 38.906 1.00 89.70 O ATOM 314 CB VAL A 909 -31.969 -10.020 38.720 1.00 62.06 C ATOM 315 CG1 VAL A 909 -33.069 -11.019 38.928 1.00 93.93 C ATOM 316 CG2 VAL A 909 -32.485 -8.625 38.893 1.00 78.25 C ATOM 317 H VAL A 909 -32.299 -10.274 41.316 1.00 0.00 H ATOM 318 N VAL A 910 -29.975 -8.060 40.107 1.00 77.38 N ATOM 319 CA VAL A 910 -28.983 -7.001 40.045 1.00 75.75 C ATOM 320 C VAL A 910 -27.723 -7.417 40.791 1.00 74.98 C ATOM 321 O VAL A 910 -26.610 -7.146 40.349 1.00 77.17 O ATOM 322 CB VAL A 910 -29.536 -5.682 40.593 1.00 83.88 C ATOM 323 CG1 VAL A 910 -28.411 -4.663 40.829 1.00 65.76 C ATOM 324 CG2 VAL A 910 -30.591 -5.128 39.647 1.00 69.54 C ATOM 325 H VAL A 910 -30.874 -7.895 40.603 1.00 0.00 H ATOM 326 N LYS A 911 -27.897 -8.092 41.917 1.00 73.76 N ATOM 327 CA LYS A 911 -26.758 -8.667 42.610 1.00 73.89 C ATOM 328 C LYS A 911 -25.904 -9.493 41.635 1.00 87.73 C ATOM 329 O LYS A 911 -24.676 -9.440 41.689 1.00 87.47 O ATOM 330 CB LYS A 911 -27.234 -9.535 43.768 1.00 80.89 C ATOM 331 CG LYS A 911 -26.740 -9.084 45.118 1.00 91.37 C ATOM 332 CD LYS A 911 -27.565 -9.715 46.240 1.00113.23 C ATOM 333 CE LYS A 911 -27.505 -8.879 47.533 1.00147.04 C ATOM 334 NZ LYS A 911 -28.695 -9.065 48.435 1.00117.39 N ATOM 335 HZ1 LYS A 911 -29.560 -8.787 47.928 1.00 0.00 H ATOM 336 HZ2 LYS A 911 -28.762 -10.064 48.716 1.00 0.00 H ATOM 337 HZ3 LYS A 911 -28.583 -8.472 49.282 1.00 0.00 H ATOM 338 H LYS A 911 -28.854 -8.211 42.307 1.00 0.00 H ATOM 339 N ASN A 912 -26.559 -10.246 40.746 1.00 77.28 N ATOM 340 CA ASN A 912 -25.873 -11.019 39.706 1.00 82.90 C ATOM 341 C ASN A 912 -25.086 -10.161 38.745 1.00 92.23 C ATOM 342 O ASN A 912 -23.894 -10.381 38.510 1.00 91.08 O ATOM 343 CB ASN A 912 -26.883 -11.774 38.844 1.00101.23 C ATOM 344 CG ASN A 912 -27.253 -13.116 39.419 1.00123.06 C ATOM 345 OD1 ASN A 912 -28.391 -13.569 39.280 1.00139.55 O ATOM 346 ND2 ASN A 912 -26.298 -13.761 40.083 1.00108.61 N ATOM 347 HD22 ASN A 912 -25.352 -13.339 40.174 1.00 0.00 H ATOM 348 HD21 ASN A 912 -26.497 -14.688 40.511 1.00 0.00 H ATOM 349 H ASN A 912 -27.597 -10.285 40.794 1.00 0.00 H ATOM 350 N VAL A 913 -25.797 -9.209 38.149 1.00 85.58 N ATOM 351 CA VAL A 913 -25.209 -8.284 37.201 1.00 65.49 C ATOM 352 C VAL A 913 -24.028 -7.590 37.866 1.00 81.17 C ATOM 353 O VAL A 913 -22.981 -7.372 37.250 1.00 72.23 O ATOM 354 CB VAL A 913 -26.235 -7.256 36.764 1.00 60.34 C ATOM 355 CG1 VAL A 913 -25.602 -6.232 35.849 1.00 65.19 C ATOM 356 CG2 VAL A 913 -27.389 -7.946 36.071 1.00 71.05 C ATOM 357 H VAL A 913 -26.810 -9.125 38.371 1.00 0.00 H ATOM 358 N GLY A 914 -24.189 -7.273 39.143 1.00 64.79 N ATOM 359 CA GLY A 914 -23.111 -6.667 39.879 1.00 64.34 C ATOM 360 C GLY A 914 -21.918 -7.591 39.956 1.00 72.29 C ATOM 361 O GLY A 914 -20.781 -7.165 39.771 1.00 64.54 O ATOM 362 H GLY A 914 -25.097 -7.463 39.614 1.00 0.00 H ATOM 363 N LEU A 915 -22.177 -8.867 40.221 1.00 86.92 N ATOM 364 CA LEU A 915 -21.099 -9.812 40.505 1.00 84.84 C ATOM 365 C LEU A 915 -20.316 -10.205 39.266 1.00 83.25 C ATOM 366 O LEU A 915 -19.094 -10.318 39.311 1.00 78.91 O ATOM 367 CB LEU A 915 -21.634 -11.054 41.218 1.00 84.14 C ATOM 368 CG LEU A 915 -21.747 -10.916 42.736 1.00 76.30 C ATOM 369 CD1 LEU A 915 -22.574 -12.045 43.316 1.00 65.56 C ATOM 370 CD2 LEU A 915 -20.358 -10.875 43.358 1.00 79.13 C ATOM 371 H LEU A 915 -23.163 -9.199 40.226 1.00 0.00 H ATOM 372 N THR A 916 -21.017 -10.411 38.159 1.00 76.78 N ATOM 373 CA THR A 916 -20.332 -10.729 36.919 1.00 92.50 C ATOM 374 C THR A 916 -19.535 -9.499 36.495 1.00 90.05 C ATOM 375 O THR A 916 -18.487 -9.610 35.849 1.00 94.64 O ATOM 376 CB THR A 916 -21.307 -11.151 35.807 1.00 88.79 C ATOM 377 OG1 THR A 916 -22.328 -10.166 35.691 1.00110.65 O ATOM 378 CG2 THR A 916 -21.975 -12.462 36.149 1.00103.62 C ATOM 379 HG1 THR A 916 -22.812 -10.092 36.551 1.00 0.00 H ATOM 380 H THR A 916 -22.055 -10.345 38.179 1.00 0.00 H ATOM 381 N LEU A 917 -20.040 -8.324 36.864 1.00 75.40 N ATOM 382 CA LEU A 917 -19.335 -7.087 36.580 1.00 73.74 C ATOM 383 C LEU A 917 -18.054 -6.994 37.379 1.00 79.08 C ATOM 384 O LEU A 917 -17.054 -6.488 36.884 1.00 95.68 O ATOM 385 CB LEU A 917 -20.210 -5.865 36.855 1.00 82.85 C ATOM 386 CG LEU A 917 -19.466 -4.522 36.884 1.00 76.17 C ATOM 387 CD1 LEU A 917 -18.592 -4.322 35.661 1.00 72.84 C ATOM 388 CD2 LEU A 917 -20.453 -3.383 37.009 1.00 78.68 C ATOM 389 H LEU A 917 -20.952 -8.292 37.363 1.00 0.00 H ATOM 390 N ARG A 918 -18.073 -7.477 38.614 1.00 73.82 N ATOM 391 CA ARG A 918 -16.887 -7.361 39.448 1.00 81.20 C ATOM 392 C ARG A 918 -15.793 -8.220 38.855 1.00 89.99 C ATOM 393 O ARG A 918 -14.610 -7.870 38.910 1.00 76.53 O ATOM 394 CB ARG A 918 -17.173 -7.801 40.880 1.00 88.80 C ATOM 395 CG ARG A 918 -16.073 -7.430 41.869 1.00 88.90 C ATOM 396 CD ARG A 918 -16.085 -8.351 43.072 1.00 89.46 C ATOM 397 NE ARG A 918 -14.833 -9.094 43.204 1.00119.05 N ATOM 398 CZ ARG A 918 -13.934 -8.876 44.160 1.00118.64 C ATOM 399 NH1 ARG A 918 -14.155 -7.939 45.072 1.00122.88 N ATOM 400 NH2 ARG A 918 -12.821 -9.598 44.212 1.00107.46 N ATOM 401 HE ARG A 918 -14.633 -9.839 42.507 1.00 0.00 H ATOM 402 HH12 ARG A 918 -13.454 -7.766 45.821 1.00 0.00 H ATOM 403 HH11 ARG A 918 -15.029 -7.377 45.039 1.00 0.00 H ATOM 404 HH22 ARG A 918 -12.122 -9.423 44.962 1.00 0.00 H ATOM 405 HH21 ARG A 918 -12.648 -10.339 43.503 1.00 0.00 H ATOM 406 H ARG A 918 -18.930 -7.936 38.984 1.00 0.00 H ATOM 407 N LYS A 919 -16.212 -9.348 38.283 1.00101.10 N ATOM 408 CA LYS A 919 -15.313 -10.291 37.618 1.00 95.58 C ATOM 409 C LYS A 919 -14.660 -9.649 36.393 1.00 98.27 C ATOM 410 O LYS A 919 -13.455 -9.786 36.178 1.00 88.24 O ATOM 411 CB LYS A 919 -16.085 -11.549 37.216 1.00 78.70 C ATOM 412 CG LYS A 919 -15.215 -12.761 36.958 1.00 91.91 C ATOM 413 CD LYS A 919 -15.978 -14.065 37.188 1.00105.02 C ATOM 414 CE LYS A 919 -17.208 -14.170 36.305 1.00101.95 C ATOM 415 NZ LYS A 919 -16.823 -14.236 34.868 1.00139.53 N ATOM 416 HZ1 LYS A 919 -16.298 -13.376 34.611 1.00 0.00 H ATOM 417 HZ2 LYS A 919 -16.223 -15.071 34.709 1.00 0.00 H ATOM 418 HZ3 LYS A 919 -17.680 -14.307 34.284 1.00 0.00 H ATOM 419 H LYS A 919 -17.228 -9.569 38.311 1.00 0.00 H ATOM 420 N LEU A 920 -15.466 -8.934 35.610 1.00 82.39 N ATOM 421 CA LEU A 920 -14.972 -8.174 34.470 1.00 77.78 C ATOM 422 C LEU A 920 -13.980 -7.113 34.899 1.00 85.75 C ATOM 423 O LEU A 920 -12.828 -7.124 34.491 1.00 91.56 O ATOM 424 CB LEU A 920 -16.130 -7.507 33.743 1.00 76.20 C ATOM 425 CG LEU A 920 -15.752 -6.442 32.717 1.00 79.18 C ATOM 426 CD1 LEU A 920 -14.690 -6.956 31.782 1.00 65.64 C ATOM 427 CD2 LEU A 920 -16.982 -6.019 31.942 1.00 70.43 C ATOM 428 H LEU A 920 -16.484 -8.918 35.820 1.00 0.00 H ATOM 429 N ILE A 921 -14.446 -6.188 35.723 1.00 95.29 N ATOM 430 CA ILE A 921 -13.615 -5.105 36.227 1.00 94.13 C ATOM 431 C ILE A 921 -12.357 -5.631 36.905 1.00102.40 C ATOM 432 O ILE A 921 -11.355 -4.926 36.994 1.00110.71 O ATOM 433 CB ILE A 921 -14.411 -4.225 37.216 1.00 88.08 C ATOM 434 CG1 ILE A 921 -15.401 -3.359 36.452 1.00 73.99 C ATOM 435 CG2 ILE A 921 -13.498 -3.331 38.036 1.00 89.02 C ATOM 436 CD1 ILE A 921 -15.920 -2.203 37.261 1.00102.91 C ATOM 437 H ILE A 921 -15.441 -6.237 36.021 1.00 0.00 H ATOM 438 N GLY A 922 -12.403 -6.871 37.378 1.00 95.17 N ATOM 439 CA GLY A 922 -11.259 -7.442 38.067 1.00122.51 C ATOM 440 C GLY A 922 -10.193 -7.942 37.114 1.00106.98 C ATOM 441 O GLY A 922 -8.999 -7.708 37.307 1.00101.56 O ATOM 442 H GLY A 922 -13.266 -7.438 37.254 1.00 0.00 H ATOM 443 N SER A 923 -10.643 -8.639 36.077 1.00107.26 N ATOM 444 CA SER A 923 -9.750 -9.203 35.080 1.00 98.05 C ATOM 445 C SER A 923 -9.186 -8.112 34.183 1.00103.23 C ATOM 446 O SER A 923 -8.136 -8.285 33.571 1.00110.69 O ATOM 447 CB SER A 923 -10.477 -10.257 34.251 1.00 86.38 C ATOM 448 OG SER A 923 -11.629 -9.704 33.643 1.00 89.82 O ATOM 449 HG SER A 923 -12.087 -10.402 33.110 1.00 0.00 H ATOM 450 H SER A 923 -11.668 -8.786 35.976 1.00 0.00 H ATOM 451 N VAL A 924 -9.885 -6.989 34.096 1.00 97.30 N ATOM 452 CA VAL A 924 -9.297 -5.826 33.450 1.00100.52 C ATOM 453 C VAL A 924 -8.214 -5.245 34.353 1.00103.44 C ATOM 454 O VAL A 924 -7.071 -5.103 33.937 1.00118.46 O ATOM 455 CB VAL A 924 -10.327 -4.750 33.099 1.00 93.04 C ATOM 456 CG1 VAL A 924 -9.625 -3.435 32.860 1.00 90.92 C ATOM 457 CG2 VAL A 924 -11.109 -5.155 31.864 1.00 69.65 C ATOM 458 H VAL A 924 -10.847 -6.940 34.487 1.00 0.00 H ATOM 459 N ASP A 925 -8.566 -4.941 35.598 1.00104.08 N ATOM 460 CA ASP A 925 -7.597 -4.427 36.566 1.00120.26 C ATOM 461 C ASP A 925 -6.272 -5.215 36.548 1.00120.83 C ATOM 462 O ASP A 925 -5.234 -4.712 36.988 1.00105.13 O ATOM 463 CB ASP A 925 -8.197 -4.435 37.982 1.00110.59 C ATOM 464 CG ASP A 925 -8.622 -3.043 38.461 1.00136.91 C ATOM 465 OD1 ASP A 925 -9.357 -2.949 39.472 1.00139.26 O ATOM 466 OD2 ASP A 925 -8.223 -2.038 37.838 1.00118.98 O ATOM 467 H ASP A 925 -9.555 -5.072 35.891 1.00 0.00 H ATOM 468 N ASP A 926 -6.315 -6.448 36.048 1.00106.69 N ATOM 469 CA ASP A 926 -5.129 -7.296 36.006 1.00110.02 C ATOM 470 C ASP A 926 -4.218 -6.946 34.830 1.00108.33 C ATOM 471 O ASP A 926 -2.997 -7.052 34.927 1.00106.51 O ATOM 472 CB ASP A 926 -5.522 -8.783 35.968 1.00129.65 C ATOM 473 CG ASP A 926 -6.276 -9.232 37.226 1.00131.06 C ATOM 474 OD1 ASP A 926 -6.065 -8.630 38.302 1.00123.17 O ATOM 475 OD2 ASP A 926 -7.080 -10.191 37.139 1.00123.09 O ATOM 476 H ASP A 926 -7.215 -6.815 35.679 1.00 0.00 H ATOM 477 N LEU A 927 -4.823 -6.526 33.722 1.00117.65 N ATOM 478 CA LEU A 927 -4.083 -6.155 32.513 1.00117.73 C ATOM 479 C LEU A 927 -3.345 -4.842 32.652 1.00116.69 C ATOM 480 O LEU A 927 -2.207 -4.708 32.206 1.00129.51 O ATOM 481 CB LEU A 927 -5.027 -6.012 31.323 1.00101.11 C ATOM 482 CG LEU A 927 -5.379 -7.281 30.569 1.00119.08 C ATOM 483 CD1 LEU A 927 -5.988 -6.887 29.239 1.00105.41 C ATOM 484 CD2 LEU A 927 -4.131 -8.130 30.382 1.00118.34 C ATOM 485 H LEU A 927 -5.861 -6.458 33.714 1.00 0.00 H ATOM 486 N LEU A 928 -4.012 -3.874 33.268 1.00 99.17 N ATOM 487 CA LEU A 928 -3.527 -2.503 33.326 1.00102.65 C ATOM 488 C LEU A 928 -2.005 -2.331 33.384 1.00132.25 C ATOM 489 O LEU A 928 -1.449 -1.572 32.581 1.00128.87 O ATOM 490 CB LEU A 928 -4.186 -1.753 34.481 1.00113.27 C ATOM 491 CG LEU A 928 -5.566 -1.143 34.233 1.00 82.57 C ATOM 492 CD1 LEU A 928 -5.542 -0.224 33.027 1.00120.72 C ATOM 493 CD2 LEU A 928 -6.588 -2.226 34.039 1.00110.78 C ATOM 494 H LEU A 928 -4.916 -4.104 33.727 1.00 0.00 H ATOM 495 N PRO A 929 -1.324 -3.035 34.316 1.00127.06 N ATOM 496 CA PRO A 929 0.125 -2.852 34.487 1.00136.03 C ATOM 497 C PRO A 929 0.883 -2.897 33.160 1.00151.42 C ATOM 498 O PRO A 929 1.690 -2.006 32.870 1.00129.76 O ATOM 499 CB PRO A 929 0.531 -4.047 35.368 1.00107.95 C ATOM 500 CG PRO A 929 -0.605 -5.017 35.263 1.00118.49 C ATOM 501 CD PRO A 929 -1.818 -4.152 35.137 1.00120.18 C ATOM 502 N SER A 930 0.608 -3.922 32.360 1.00138.78 N ATOM 503 CA SER A 930 1.289 -4.093 31.088 1.00118.84 C ATOM 504 C SER A 930 0.585 -3.346 29.953 1.00119.68 C ATOM 505 O SER A 930 -0.056 -3.959 29.104 1.00120.63 O ATOM 506 CB SER A 930 1.402 -5.571 30.729 1.00129.24 C ATOM 507 OG SER A 930 0.134 -6.177 30.571 1.00125.14 O ATOM 508 HG SER A 930 -0.361 -5.719 29.846 1.00 0.00 H ATOM 509 H SER A 930 -0.110 -4.616 32.651 1.00 0.00 H ATOM 510 N LEU A 931 0.704 -2.020 29.940 1.00125.92 N ATOM 511 CA LEU A 931 0.327 -1.208 28.772 1.00129.41 C ATOM 512 C LEU A 931 0.420 0.317 28.984 1.00133.93 C ATOM 513 O LEU A 931 0.485 0.787 30.126 1.00119.40 O ATOM 514 CB LEU A 931 -1.056 -1.600 28.276 1.00104.75 C ATOM 515 CG LEU A 931 -2.292 -1.490 29.156 1.00126.57 C ATOM 516 CD1 LEU A 931 -2.814 -0.069 29.094 1.00141.09 C ATOM 517 CD2 LEU A 931 -3.346 -2.459 28.659 1.00 89.64 C ATOM 518 H LEU A 931 1.076 -1.541 30.785 1.00 0.00 H ATOM 519 N PRO A 932 0.438 1.092 27.875 1.00144.56 N ATOM 520 CA PRO A 932 0.701 2.537 27.907 1.00138.72 C ATOM 521 C PRO A 932 -0.226 3.260 28.869 1.00136.19 C ATOM 522 O PRO A 932 -1.424 2.982 28.886 1.00135.65 O ATOM 523 CB PRO A 932 0.412 2.983 26.460 1.00137.57 C ATOM 524 CG PRO A 932 -0.415 1.878 25.867 1.00101.75 C ATOM 525 CD PRO A 932 0.108 0.641 26.512 1.00125.17 C ATOM 526 N SER A 933 0.325 4.159 29.674 1.00126.17 N ATOM 527 CA SER A 933 -0.485 4.928 30.597 1.00137.21 C ATOM 528 C SER A 933 -1.543 5.695 29.814 1.00138.66 C ATOM 529 O SER A 933 -2.670 5.861 30.281 1.00140.36 O ATOM 530 CB SER A 933 0.388 5.890 31.401 1.00148.98 C ATOM 531 OG SER A 933 -0.371 6.549 32.404 1.00138.81 O ATOM 532 HG SER A 933 0.217 7.165 32.909 1.00 0.00 H ATOM 533 H SER A 933 1.353 4.314 29.642 1.00 0.00 H ATOM 534 N SER A 934 -1.178 6.147 28.616 1.00128.69 N ATOM 535 CA SER A 934 -2.101 6.880 27.744 1.00148.58 C ATOM 536 C SER A 934 -3.428 6.135 27.518 1.00155.34 C ATOM 537 O SER A 934 -4.467 6.753 27.252 1.00133.10 O ATOM 538 CB SER A 934 -1.423 7.231 26.406 1.00146.08 C ATOM 539 OG SER A 934 -0.575 6.184 25.952 1.00126.41 O ATOM 540 HG SER A 934 -0.159 6.447 25.093 1.00 0.00 H ATOM 541 H SER A 934 -0.206 5.974 28.288 1.00 0.00 H ATOM 542 N SER A 935 -3.384 4.809 27.627 1.00149.50 N ATOM 543 CA SER A 935 -4.590 3.990 27.581 1.00129.40 C ATOM 544 C SER A 935 -5.247 3.985 28.949 1.00145.65 C ATOM 545 O SER A 935 -6.427 4.319 29.095 1.00141.93 O ATOM 546 CB SER A 935 -4.242 2.549 27.205 1.00123.72 C ATOM 547 OG SER A 935 -3.645 2.474 25.928 1.00140.61 O ATOM 548 HG SER A 935 -3.434 1.530 25.719 1.00 0.00 H ATOM 549 H SER A 935 -2.462 4.343 27.749 1.00 0.00 H ATOM 550 N ARG A 936 -4.448 3.610 29.945 1.00124.80 N ATOM 551 CA ARG A 936 -4.909 3.380 31.307 1.00118.96 C ATOM 552 C ARG A 936 -5.759 4.511 31.866 1.00130.99 C ATOM 553 O ARG A 936 -6.651 4.274 32.679 1.00140.00 O ATOM 554 CB ARG A 936 -3.713 3.102 32.210 1.00112.67 C ATOM 555 CG ARG A 936 -2.909 1.916 31.728 1.00121.46 C ATOM 556 CD ARG A 936 -1.491 1.913 32.259 1.00137.31 C ATOM 557 NE ARG A 936 -1.433 1.574 33.674 1.00141.30 N ATOM 558 CZ ARG A 936 -0.301 1.461 34.361 1.00150.38 C ATOM 559 NH1 ARG A 936 0.862 1.659 33.752 1.00128.67 N ATOM 560 NH2 ARG A 936 -0.334 1.149 35.652 1.00131.35 N ATOM 561 HE ARG A 936 -2.329 1.411 34.176 1.00 0.00 H ATOM 562 HH12 ARG A 936 1.750 1.572 34.286 1.00 0.00 H ATOM 563 HH11 ARG A 936 0.885 1.902 32.741 1.00 0.00 H ATOM 564 HH22 ARG A 936 0.553 1.061 36.189 1.00 0.00 H ATOM 565 HH21 ARG A 936 -1.246 0.993 36.126 1.00 0.00 H ATOM 566 H ARG A 936 -3.438 3.474 29.739 1.00 0.00 H ATOM 567 N THR A 937 -5.490 5.736 31.432 1.00120.79 N ATOM 568 CA THR A 937 -6.371 6.848 31.755 1.00134.83 C ATOM 569 C THR A 937 -7.784 6.542 31.248 1.00136.42 C ATOM 570 O THR A 937 -8.702 6.320 32.040 1.00118.52 O ATOM 571 CB THR A 937 -5.870 8.171 31.128 1.00144.84 C ATOM 572 OG1 THR A 937 -4.557 8.475 31.615 1.00120.85 O ATOM 573 CG2 THR A 937 -6.808 9.326 31.461 1.00131.24 C ATOM 574 HG1 THR A 937 -3.938 7.742 31.371 1.00 0.00 H ATOM 575 H THR A 937 -4.641 5.903 30.855 1.00 0.00 H ATOM 576 N GLU A 938 -7.947 6.509 29.925 1.00145.37 N ATOM 577 CA GLU A 938 -9.265 6.330 29.313 1.00145.36 C ATOM 578 C GLU A 938 -9.921 4.996 29.675 1.00135.65 C ATOM 579 O GLU A 938 -11.148 4.882 29.686 1.00133.61 O ATOM 580 CB GLU A 938 -9.196 6.486 27.789 1.00136.12 C ATOM 581 CG GLU A 938 -10.526 6.192 27.103 1.00151.80 C ATOM 582 CD GLU A 938 -10.446 6.189 25.587 1.00162.35 C ATOM 583 OE1 GLU A 938 -9.330 6.309 25.034 1.00175.36 O ATOM 584 OE2 GLU A 938 -11.515 6.067 24.950 1.00152.26 O ATOM 585 H GLU A 938 -7.114 6.613 29.311 1.00 0.00 H ATOM 586 N ILE A 939 -9.104 3.985 29.960 1.00122.05 N ATOM 587 CA ILE A 939 -9.638 2.688 30.374 1.00119.55 C ATOM 588 C ILE A 939 -10.274 2.765 31.758 1.00107.66 C ATOM 589 O ILE A 939 -11.417 2.347 31.949 1.00 99.92 O ATOM 590 CB ILE A 939 -8.583 1.576 30.346 1.00112.86 C ATOM 591 CG1 ILE A 939 -8.534 0.947 28.952 1.00101.04 C ATOM 592 CG2 ILE A 939 -8.907 0.516 31.379 1.00 91.40 C ATOM 593 CD1 ILE A 939 -7.552 -0.197 28.817 1.00 95.59 C ATOM 594 H ILE A 939 -8.075 4.119 29.888 1.00 0.00 H ATOM 595 N GLU A 940 -9.542 3.307 32.723 1.00105.32 N ATOM 596 CA GLU A 940 -10.103 3.517 34.047 1.00103.27 C ATOM 597 C GLU A 940 -11.282 4.463 33.937 1.00100.41 C ATOM 598 O GLU A 940 -12.106 4.559 34.837 1.00102.49 O ATOM 599 CB GLU A 940 -9.053 4.101 34.986 1.00128.10 C ATOM 600 CG GLU A 940 -7.850 3.204 35.226 1.00133.32 C ATOM 601 CD GLU A 940 -6.690 3.954 35.863 1.00146.33 C ATOM 602 OE1 GLU A 940 -6.770 5.200 35.961 1.00141.62 O ATOM 603 OE2 GLU A 940 -5.700 3.303 36.264 1.00131.48 O ATOM 604 H GLU A 940 -8.558 3.584 32.530 1.00 0.00 H ATOM 605 N GLY A 941 -11.346 5.176 32.823 1.00101.66 N ATOM 606 CA GLY A 941 -12.454 6.070 32.563 1.00113.77 C ATOM 607 C GLY A 941 -13.733 5.286 32.372 1.00110.59 C ATOM 608 O GLY A 941 -14.758 5.574 32.991 1.00104.52 O ATOM 609 H GLY A 941 -10.584 5.092 32.120 1.00 0.00 H ATOM 610 N THR A 942 -13.675 4.275 31.514 1.00 98.04 N ATOM 611 CA THR A 942 -14.865 3.487 31.243 1.00 95.34 C ATOM 612 C THR A 942 -15.176 2.550 32.400 1.00103.55 C ATOM 613 O THR A 942 -16.330 2.175 32.600 1.00114.49 O ATOM 614 CB THR A 942 -14.776 2.709 29.920 1.00 95.58 C ATOM 615 OG1 THR A 942 -13.832 1.641 30.050 1.00 97.42 O ATOM 616 CG2 THR A 942 -14.353 3.637 28.782 1.00 98.00 C ATOM 617 HG1 THR A 942 -12.942 2.014 30.272 1.00 0.00 H ATOM 618 H THR A 942 -12.779 4.047 31.037 1.00 0.00 H ATOM 619 N GLN A 943 -14.153 2.181 33.166 1.00 87.26 N ATOM 620 CA GLN A 943 -14.367 1.403 34.388 1.00 90.18 C ATOM 621 C GLN A 943 -15.175 2.193 35.413 1.00103.00 C ATOM 622 O GLN A 943 -16.230 1.746 35.860 1.00 95.62 O ATOM 623 CB GLN A 943 -13.044 0.981 35.003 1.00 72.07 C ATOM 624 CG GLN A 943 -12.687 -0.453 34.732 1.00 81.99 C ATOM 625 CD GLN A 943 -11.279 -0.775 35.172 1.00108.70 C ATOM 626 OE1 GLN A 943 -10.442 0.120 35.328 1.00109.41 O ATOM 627 NE2 GLN A 943 -11.004 -2.056 35.379 1.00116.14 N ATOM 628 HE22 GLN A 943 -11.741 -2.776 35.235 1.00 0.00 H ATOM 629 HE21 GLN A 943 -10.052 -2.341 35.685 1.00 0.00 H ATOM 630 H GLN A 943 -13.186 2.449 32.893 1.00 0.00 H ATOM 631 N LYS A 944 -14.679 3.372 35.775 1.00 87.36 N ATOM 632 CA LYS A 944 -15.432 4.259 36.643 1.00 95.52 C ATOM 633 C LYS A 944 -16.822 4.414 36.034 1.00107.43 C ATOM 634 O LYS A 944 -17.835 4.396 36.730 1.00105.04 O ATOM 635 CB LYS A 944 -14.738 5.600 36.774 1.00 91.51 C ATOM 636 H LYS A 944 -13.741 3.662 35.432 1.00 0.00 H ATOM 637 N LEU A 945 -16.870 4.541 34.717 1.00 91.65 N ATOM 638 CA LEU A 945 -18.144 4.719 34.037 1.00 85.20 C ATOM 639 C LEU A 945 -19.108 3.562 34.333 1.00 97.90 C ATOM 640 O LEU A 945 -20.308 3.774 34.517 1.00102.06 O ATOM 641 CB LEU A 945 -17.927 4.904 32.533 1.00 70.56 C ATOM 642 CG LEU A 945 -19.162 5.268 31.714 1.00 91.34 C ATOM 643 CD1 LEU A 945 -20.129 6.103 32.527 1.00 84.57 C ATOM 644 CD2 LEU A 945 -18.761 5.992 30.428 1.00110.24 C ATOM 645 H LEU A 945 -15.990 4.513 34.164 1.00 0.00 H ATOM 646 N LEU A 946 -18.579 2.343 34.394 1.00 97.17 N ATOM 647 CA LEU A 946 -19.411 1.177 34.664 1.00 81.60 C ATOM 648 C LEU A 946 -19.916 1.189 36.093 1.00 90.62 C ATOM 649 O LEU A 946 -21.108 1.001 36.335 1.00 97.52 O ATOM 650 CB LEU A 946 -18.659 -0.122 34.383 1.00 83.28 C ATOM 651 CG LEU A 946 -18.458 -0.480 32.914 1.00 80.65 C ATOM 652 CD1 LEU A 946 -17.654 -1.760 32.785 1.00 73.54 C ATOM 653 CD2 LEU A 946 -19.790 -0.611 32.218 1.00 65.36 C ATOM 654 H LEU A 946 -17.557 2.220 34.247 1.00 0.00 H ATOM 655 N ASN A 947 -19.017 1.408 37.044 1.00 88.98 N ATOM 656 CA ASN A 947 -19.444 1.495 38.423 1.00 87.19 C ATOM 657 C ASN A 947 -20.609 2.452 38.503 1.00 91.03 C ATOM 658 O ASN A 947 -21.649 2.125 39.061 1.00 90.54 O ATOM 659 CB ASN A 947 -18.297 1.926 39.318 1.00 74.52 C ATOM 660 CG ASN A 947 -17.397 0.768 39.678 1.00106.19 C ATOM 661 OD1 ASN A 947 -17.622 -0.362 39.247 1.00102.07 O ATOM 662 ND2 ASN A 947 -16.371 1.038 40.469 1.00128.56 N ATOM 663 HD22 ASN A 947 -16.219 2.009 40.810 1.00 0.00 H ATOM 664 HD21 ASN A 947 -15.717 0.280 40.749 1.00 0.00 H ATOM 665 H ASN A 947 -18.012 1.516 36.799 1.00 0.00 H ATOM 666 N LYS A 948 -20.453 3.615 37.883 1.00 97.29 N ATOM 667 CA LYS A 948 -21.526 4.597 37.849 1.00 98.41 C ATOM 668 C LYS A 948 -22.788 3.990 37.228 1.00103.01 C ATOM 669 O LYS A 948 -23.898 4.155 37.746 1.00 94.38 O ATOM 670 CB LYS A 948 -21.088 5.840 37.075 1.00 91.42 C ATOM 671 CG LYS A 948 -22.181 6.880 36.935 1.00122.09 C ATOM 672 CD LYS A 948 -21.687 8.113 36.204 1.00130.62 C ATOM 673 CE LYS A 948 -22.346 8.262 34.838 1.00134.12 C ATOM 674 NZ LYS A 948 -21.642 9.293 34.010 1.00121.34 N ATOM 675 HZ1 LYS A 948 -21.676 10.210 34.499 1.00 0.00 H ATOM 676 HZ2 LYS A 948 -20.651 9.008 33.873 1.00 0.00 H ATOM 677 HZ3 LYS A 948 -22.112 9.373 33.086 1.00 0.00 H ATOM 678 H LYS A 948 -19.549 3.828 37.414 1.00 0.00 H ATOM 679 N ASP A 949 -22.606 3.267 36.127 1.00108.31 N ATOM 680 CA ASP A 949 -23.718 2.632 35.426 1.00 98.59 C ATOM 681 C ASP A 949 -24.460 1.663 36.328 1.00 93.04 C ATOM 682 O ASP A 949 -25.689 1.605 36.296 1.00 82.63 O ATOM 683 CB ASP A 949 -23.221 1.896 34.184 1.00105.51 C ATOM 684 CG ASP A 949 -23.051 2.814 32.995 1.00117.60 C ATOM 685 OD1 ASP A 949 -23.040 4.051 33.195 1.00115.09 O ATOM 686 OD2 ASP A 949 -22.928 2.293 31.863 1.00114.77 O ATOM 687 H ASP A 949 -21.642 3.150 35.754 1.00 0.00 H ATOM 688 N LEU A 950 -23.709 0.899 37.123 1.00 86.45 N ATOM 689 CA LEU A 950 -24.312 -0.034 38.072 1.00 79.83 C ATOM 690 C LEU A 950 -25.153 0.719 39.090 1.00 85.78 C ATOM 691 O LEU A 950 -26.332 0.412 39.290 1.00 77.19 O ATOM 692 CB LEU A 950 -23.247 -0.851 38.802 1.00 77.45 C ATOM 693 CG LEU A 950 -23.801 -1.865 39.809 1.00 80.25 C ATOM 694 CD1 LEU A 950 -24.792 -2.783 39.118 1.00 64.22 C ATOM 695 CD2 LEU A 950 -22.687 -2.677 40.436 1.00 62.84 C ATOM 696 H LEU A 950 -22.673 0.969 37.066 1.00 0.00 H ATOM 697 N ALA A 951 -24.534 1.719 39.711 1.00 89.38 N ATOM 698 CA ALA A 951 -25.192 2.567 40.695 1.00 73.58 C ATOM 699 C ALA A 951 -26.539 3.056 40.188 1.00 82.79 C ATOM 700 O ALA A 951 -27.553 2.951 40.887 1.00 71.66 O ATOM 701 CB ALA A 951 -24.315 3.729 41.024 1.00 72.95 C ATOM 702 H ALA A 951 -23.536 1.903 39.484 1.00 0.00 H ATOM 703 N GLU A 952 -26.550 3.582 38.969 1.00 65.91 N ATOM 704 CA GLU A 952 -27.791 4.043 38.375 1.00 74.65 C ATOM 705 C GLU A 952 -28.798 2.880 38.235 1.00 87.07 C ATOM 706 O GLU A 952 -30.002 3.057 38.454 1.00 75.17 O ATOM 707 CB GLU A 952 -27.515 4.727 37.033 1.00 79.13 C ATOM 708 CG GLU A 952 -28.722 5.408 36.396 1.00101.27 C ATOM 709 CD GLU A 952 -28.849 6.870 36.792 1.00131.02 C ATOM 710 OE1 GLU A 952 -27.909 7.647 36.513 1.00146.08 O ATOM 711 OE2 GLU A 952 -29.890 7.240 37.386 1.00137.15 O ATOM 712 H GLU A 952 -25.661 3.664 38.435 1.00 0.00 H ATOM 713 N LEU A 953 -28.306 1.690 37.891 1.00 76.77 N ATOM 714 CA LEU A 953 -29.174 0.516 37.792 1.00 64.82 C ATOM 715 C LEU A 953 -29.769 0.152 39.145 1.00 82.74 C ATOM 716 O LEU A 953 -30.971 -0.122 39.272 1.00 65.51 O ATOM 717 CB LEU A 953 -28.413 -0.695 37.262 1.00 79.59 C ATOM 718 CG LEU A 953 -29.278 -1.960 37.344 1.00 75.94 C ATOM 719 CD1 LEU A 953 -30.449 -1.876 36.369 1.00 66.42 C ATOM 720 CD2 LEU A 953 -28.453 -3.203 37.112 1.00 70.60 C ATOM 721 H LEU A 953 -27.290 1.594 37.690 1.00 0.00 H ATOM 722 N ILE A 954 -28.904 0.144 40.155 1.00 72.01 N ATOM 723 CA ILE A 954 -29.322 -0.146 41.516 1.00 69.78 C ATOM 724 C ILE A 954 -30.405 0.819 41.980 1.00 84.18 C ATOM 725 O ILE A 954 -31.443 0.398 42.484 1.00 77.68 O ATOM 726 CB ILE A 954 -28.156 -0.063 42.471 1.00 59.83 C ATOM 727 CG1 ILE A 954 -27.210 -1.235 42.239 1.00 64.67 C ATOM 728 CG2 ILE A 954 -28.663 -0.100 43.872 1.00 51.90 C ATOM 729 CD1 ILE A 954 -25.915 -1.111 42.986 1.00 70.28 C ATOM 730 H ILE A 954 -27.902 0.351 39.966 1.00 0.00 H ATOM 731 N ASN A 955 -30.166 2.113 41.787 1.00 85.35 N ATOM 732 CA ASN A 955 -31.154 3.123 42.133 1.00 87.58 C ATOM 733 C ASN A 955 -32.487 2.894 41.424 1.00 81.15 C ATOM 734 O ASN A 955 -33.531 2.918 42.066 1.00 78.25 O ATOM 735 CB ASN A 955 -30.604 4.533 41.883 1.00 95.84 C ATOM 736 CG ASN A 955 -29.485 4.904 42.867 1.00139.88 C ATOM 737 OD1 ASN A 955 -28.913 4.030 43.528 1.00124.42 O ATOM 738 ND2 ASN A 955 -29.178 6.197 42.970 1.00139.05 N ATOM 739 HD22 ASN A 955 -29.685 6.899 42.394 1.00 0.00 H ATOM 740 HD21 ASN A 955 -28.431 6.504 43.626 1.00 0.00 H ATOM 741 H ASN A 955 -29.255 2.408 41.381 1.00 0.00 H ATOM 742 N LYS A 956 -32.455 2.636 40.119 1.00 67.84 N ATOM 743 CA LYS A 956 -33.686 2.346 39.386 1.00 80.74 C ATOM 744 C LYS A 956 -34.391 1.114 39.924 1.00 85.92 C ATOM 745 O LYS A 956 -35.604 0.967 39.785 1.00 84.08 O ATOM 746 CB LYS A 956 -33.421 2.153 37.893 1.00 79.58 C ATOM 747 CG LYS A 956 -33.651 3.396 37.073 1.00 91.69 C ATOM 748 CD LYS A 956 -32.486 4.356 37.220 1.00 90.95 C ATOM 749 CE LYS A 956 -32.822 5.727 36.656 1.00119.38 C ATOM 750 NZ LYS A 956 -33.670 6.499 37.602 1.00 99.31 N ATOM 751 HZ1 LYS A 956 -34.556 5.982 37.773 1.00 0.00 H ATOM 752 HZ2 LYS A 956 -33.161 6.623 38.500 1.00 0.00 H ATOM 753 HZ3 LYS A 956 -33.885 7.431 37.192 1.00 0.00 H ATOM 754 H LYS A 956 -31.545 2.641 39.615 1.00 0.00 H ATOM 755 N MET A 957 -33.625 0.212 40.516 1.00 76.69 N ATOM 756 CA MET A 957 -34.198 -1.017 41.028 1.00 79.98 C ATOM 757 C MET A 957 -34.909 -0.734 42.342 1.00 84.58 C ATOM 758 O MET A 957 -36.020 -1.212 42.583 1.00 80.53 O ATOM 759 CB MET A 957 -33.097 -2.056 41.219 1.00 91.57 C ATOM 760 CG MET A 957 -33.562 -3.354 41.839 1.00 79.58 C ATOM 761 SD MET A 957 -33.222 -3.433 43.604 1.00 88.64 S ATOM 762 CE MET A 957 -31.440 -3.400 43.641 1.00 61.68 C ATOM 763 H MET A 957 -32.604 0.386 40.615 1.00 0.00 H ATOM 764 N ARG A 958 -34.253 0.056 43.187 1.00 89.69 N ATOM 765 CA ARG A 958 -34.834 0.513 44.435 1.00 72.78 C ATOM 766 C ARG A 958 -36.167 1.206 44.171 1.00 92.00 C ATOM 767 O ARG A 958 -37.148 0.954 44.855 1.00101.64 O ATOM 768 CB ARG A 958 -33.872 1.473 45.110 1.00 71.53 C ATOM 769 CG ARG A 958 -33.187 0.871 46.311 1.00 88.02 C ATOM 770 CD ARG A 958 -32.474 -0.437 45.957 1.00 87.54 C ATOM 771 NE ARG A 958 -31.739 -1.059 47.079 1.00130.96 N ATOM 772 CZ ARG A 958 -32.135 -2.147 47.757 1.00115.57 C ATOM 773 NH1 ARG A 958 -33.283 -2.751 47.458 1.00 66.04 N ATOM 774 NH2 ARG A 958 -31.383 -2.633 48.746 1.00 84.62 N ATOM 775 HE ARG A 958 -30.842 -0.617 47.366 1.00 0.00 H ATOM 776 HH12 ARG A 958 -33.581 -3.594 47.990 1.00 0.00 H ATOM 777 HH11 ARG A 958 -33.882 -2.380 46.693 1.00 0.00 H ATOM 778 HH22 ARG A 958 -31.694 -3.477 49.269 1.00 0.00 H ATOM 779 HH21 ARG A 958 -30.486 -2.168 48.994 1.00 0.00 H ATOM 780 H ARG A 958 -33.288 0.357 42.944 1.00 0.00 H ATOM 781 N LEU A 959 -36.189 2.073 43.163 1.00 77.34 N ATOM 782 CA LEU A 959 -37.393 2.795 42.758 1.00 79.04 C ATOM 783 C LEU A 959 -38.494 1.890 42.221 1.00 89.32 C ATOM 784 O LEU A 959 -39.671 2.228 42.290 1.00 90.54 O ATOM 785 CB LEU A 959 -37.070 3.829 41.673 1.00 89.92 C ATOM 786 CG LEU A 959 -36.520 5.226 41.954 1.00 79.88 C ATOM 787 CD1 LEU A 959 -36.870 6.073 40.751 1.00 70.68 C ATOM 788 CD2 LEU A 959 -37.089 5.830 43.220 1.00 79.39 C ATOM 789 H LEU A 959 -35.308 2.245 42.638 1.00 0.00 H ATOM 790 N ALA A 960 -38.109 0.758 41.646 1.00 90.96 N ATOM 791 CA ALA A 960 -39.088 -0.147 41.054 1.00 85.80 C ATOM 792 C ALA A 960 -39.722 -1.002 42.146 1.00 94.06 C ATOM 793 O ALA A 960 -40.885 -1.415 42.043 1.00 79.21 O ATOM 794 CB ALA A 960 -38.459 -1.005 39.963 1.00 86.39 C ATOM 795 H ALA A 960 -37.099 0.513 41.617 1.00 0.00 H ATOM 796 N GLN A 961 -38.954 -1.245 43.205 1.00 83.12 N ATOM 797 CA GLN A 961 -39.478 -1.920 44.382 1.00 79.39 C ATOM 798 C GLN A 961 -40.524 -1.049 45.070 1.00 93.37 C ATOM 799 O GLN A 961 -41.695 -1.427 45.161 1.00 88.91 O ATOM 800 CB GLN A 961 -38.352 -2.243 45.364 1.00 73.93 C ATOM 801 CG GLN A 961 -37.446 -3.398 44.959 1.00 85.74 C ATOM 802 CD GLN A 961 -36.337 -3.638 45.966 1.00 79.67 C ATOM 803 OE1 GLN A 961 -35.799 -2.692 46.540 1.00 83.64 O ATOM 804 NE2 GLN A 961 -36.002 -4.906 46.201 1.00 85.49 N ATOM 805 HE22 GLN A 961 -36.484 -5.674 45.692 1.00 0.00 H ATOM 806 HE21 GLN A 961 -35.258 -5.128 46.894 1.00 0.00 H ATOM 807 H GLN A 961 -37.958 -0.946 43.191 1.00 0.00 H ATOM 808 N GLN A 962 -40.094 0.127 45.527 1.00 90.47 N ATOM 809 CA GLN A 962 -40.963 1.067 46.223 1.00 80.74 C ATOM 810 C GLN A 962 -42.196 1.393 45.399 1.00 78.15 C ATOM 811 O GLN A 962 -43.300 1.541 45.917 1.00 81.13 O ATOM 812 CB GLN A 962 -40.196 2.342 46.513 1.00 57.95 C ATOM 813 CG GLN A 962 -38.892 2.094 47.221 1.00106.38 C ATOM 814 CD GLN A 962 -37.983 3.307 47.194 1.00141.17 C ATOM 815 OE1 GLN A 962 -38.370 4.380 46.715 1.00121.66 O ATOM 816 NE2 GLN A 962 -36.761 3.144 47.706 1.00132.92 N ATOM 817 HE22 GLN A 962 -36.480 2.223 48.098 1.00 0.00 H ATOM 818 HE21 GLN A 962 -36.090 3.938 47.713 1.00 0.00 H ATOM 819 H GLN A 962 -39.097 0.384 45.381 1.00 0.00 H ATOM 820 N ASN A 963 -42.014 1.484 44.096 1.00 81.70 N ATOM 821 CA ASN A 963 -43.128 1.848 43.244 1.00 88.30 C ATOM 822 C ASN A 963 -43.916 0.703 42.613 1.00 95.90 C ATOM 823 O ASN A 963 -44.696 0.925 41.684 1.00104.21 O ATOM 824 CB ASN A 963 -42.683 2.864 42.197 1.00 96.64 C ATOM 825 CG ASN A 963 -42.878 4.281 42.668 1.00 92.36 C ATOM 826 OD1 ASN A 963 -43.960 4.837 42.511 1.00 88.67 O ATOM 827 ND2 ASN A 963 -41.840 4.872 43.269 1.00 87.92 N ATOM 828 HD22 ASN A 963 -40.942 4.359 43.379 1.00 0.00 H ATOM 829 HD21 ASN A 963 -41.931 5.844 43.627 1.00 0.00 H ATOM 830 H ASN A 963 -41.078 1.296 43.683 1.00 0.00 H ATOM 831 N ALA A 964 -43.711 -0.518 43.098 1.00 98.82 N ATOM 832 CA ALA A 964 -44.592 -1.604 42.702 1.00 86.58 C ATOM 833 C ALA A 964 -45.899 -1.306 43.384 1.00118.98 C ATOM 834 O ALA A 964 -45.904 -0.768 44.496 1.00113.72 O ATOM 835 CB ALA A 964 -44.058 -2.908 43.172 1.00 90.25 C ATOM 836 H ALA A 964 -42.925 -0.695 43.756 1.00 0.00 H ATOM 837 N VAL A 965 -47.008 -1.647 42.739 1.00106.28 N ATOM 838 CA VAL A 965 -48.329 -1.341 43.297 1.00135.65 C ATOM 839 C VAL A 965 -48.683 0.150 43.237 1.00133.59 C ATOM 840 O VAL A 965 -49.582 0.590 43.951 1.00137.83 O ATOM 841 CB VAL A 965 -48.512 -1.798 44.775 1.00115.53 C ATOM 842 CG1 VAL A 965 -50.000 -2.090 45.064 1.00131.71 C ATOM 843 CG2 VAL A 965 -47.663 -3.020 45.098 1.00127.43 C ATOM 844 H VAL A 965 -46.939 -2.138 41.825 1.00 0.00 H ATOM 845 N THR A 966 -47.981 0.928 42.413 1.00134.49 N ATOM 846 CA THR A 966 -48.394 2.307 42.129 1.00100.09 C ATOM 847 C THR A 966 -48.355 2.523 40.625 1.00 96.36 C ATOM 848 O THR A 966 -47.796 1.702 39.900 1.00126.31 O ATOM 849 CB THR A 966 -47.485 3.352 42.795 1.00 89.27 C ATOM 850 OG1 THR A 966 -46.261 3.455 42.064 1.00 98.62 O ATOM 851 CG2 THR A 966 -47.180 2.977 44.238 1.00107.56 C ATOM 852 HG1 THR A 966 -45.677 4.128 42.494 1.00 0.00 H ATOM 853 H THR A 966 -47.123 0.550 41.962 1.00 0.00 H ATOM 854 N SER A 967 -48.945 3.615 40.150 1.00105.01 N ATOM 855 CA SER A 967 -49.015 3.851 38.709 1.00 74.77 C ATOM 856 C SER A 967 -47.631 4.039 38.079 1.00 89.33 C ATOM 857 O SER A 967 -47.473 3.902 36.866 1.00 94.07 O ATOM 858 CB SER A 967 -49.970 5.005 38.365 1.00 87.46 C ATOM 859 OG SER A 967 -49.604 6.221 38.997 1.00108.45 O ATOM 860 HG SER A 967 -50.248 6.930 38.744 1.00 0.00 H ATOM 861 H SER A 967 -49.359 4.306 40.808 1.00 0.00 H ATOM 862 N LEU A 968 -46.630 4.330 38.904 1.00 79.68 N ATOM 863 CA LEU A 968 -45.269 4.506 38.408 1.00 86.12 C ATOM 864 C LEU A 968 -44.504 3.190 38.377 1.00 99.28 C ATOM 865 O LEU A 968 -43.298 3.174 38.133 1.00 78.31 O ATOM 866 CB LEU A 968 -44.510 5.523 39.257 1.00 91.03 C ATOM 867 CG LEU A 968 -45.243 6.846 39.442 1.00 80.73 C ATOM 868 CD1 LEU A 968 -44.363 7.817 40.188 1.00 68.39 C ATOM 869 CD2 LEU A 968 -45.643 7.398 38.089 1.00 81.68 C ATOM 870 H LEU A 968 -46.820 4.434 39.921 1.00 0.00 H ATOM 871 N SER A 969 -45.211 2.093 38.641 1.00110.49 N ATOM 872 CA SER A 969 -44.631 0.755 38.585 1.00 89.78 C ATOM 873 C SER A 969 -43.905 0.526 37.268 1.00100.77 C ATOM 874 O SER A 969 -42.694 0.323 37.255 1.00 91.70 O ATOM 875 CB SER A 969 -45.718 -0.313 38.765 1.00119.49 C ATOM 876 OG SER A 969 -45.209 -1.621 38.535 1.00118.74 O ATOM 877 HG SER A 969 -45.935 -2.283 38.659 1.00 0.00 H ATOM 878 H SER A 969 -46.214 2.193 38.897 1.00 0.00 H ATOM 879 N GLU A 970 -44.645 0.585 36.161 1.00102.53 N ATOM 880 CA GLU A 970 -44.098 0.229 34.845 1.00102.01 C ATOM 881 C GLU A 970 -42.965 1.137 34.382 1.00 91.10 C ATOM 882 O GLU A 970 -41.936 0.659 33.908 1.00 97.46 O ATOM 883 CB GLU A 970 -45.198 0.174 33.782 1.00 77.91 C ATOM 884 CG GLU A 970 -46.413 -0.700 34.168 1.00169.36 C ATOM 885 CD GLU A 970 -46.098 -2.202 34.317 1.00171.25 C ATOM 886 OE1 GLU A 970 -45.671 -2.839 33.322 1.00128.81 O ATOM 887 OE2 GLU A 970 -46.295 -2.746 35.434 1.00148.23 O ATOM 888 H GLU A 970 -45.636 0.891 36.231 1.00 0.00 H ATOM 889 N GLU A 971 -43.155 2.444 34.517 1.00101.74 N ATOM 890 CA GLU A 971 -42.117 3.392 34.141 1.00 90.71 C ATOM 891 C GLU A 971 -40.838 3.107 34.922 1.00 93.55 C ATOM 892 O GLU A 971 -39.753 3.067 34.350 1.00 94.54 O ATOM 893 CB GLU A 971 -42.583 4.832 34.373 1.00109.72 C ATOM 894 CG GLU A 971 -41.472 5.877 34.274 1.00102.50 C ATOM 895 CD GLU A 971 -40.922 6.040 32.860 1.00120.09 C ATOM 896 OE1 GLU A 971 -41.684 5.846 31.880 1.00110.26 O ATOM 897 OE2 GLU A 971 -39.720 6.368 32.737 1.00 98.79 O ATOM 898 H GLU A 971 -44.057 2.795 34.896 1.00 0.00 H ATOM 899 N CYS A 972 -40.965 2.889 36.226 1.00 84.56 N ATOM 900 CA CYS A 972 -39.790 2.598 37.045 1.00 90.07 C ATOM 901 C CYS A 972 -39.048 1.358 36.544 1.00100.11 C ATOM 902 O CYS A 972 -37.816 1.314 36.580 1.00 87.24 O ATOM 903 CB CYS A 972 -40.166 2.439 38.508 1.00 82.27 C ATOM 904 H CYS A 972 -41.906 2.926 36.667 1.00 0.00 H ATOM 905 N LYS A 973 -39.797 0.358 36.075 1.00 88.93 N ATOM 906 CA LYS A 973 -39.193 -0.866 35.561 1.00 86.18 C ATOM 907 C LYS A 973 -38.549 -0.592 34.216 1.00 94.55 C ATOM 908 O LYS A 973 -37.412 -1.004 33.963 1.00 83.75 O ATOM 909 CB LYS A 973 -40.221 -1.995 35.456 1.00 76.25 C ATOM 910 CG LYS A 973 -40.561 -2.633 36.805 1.00 98.74 C ATOM 911 CD LYS A 973 -41.559 -3.770 36.672 1.00 85.45 C ATOM 912 CE LYS A 973 -42.899 -3.280 36.147 1.00 98.84 C ATOM 913 NZ LYS A 973 -43.634 -4.349 35.407 1.00122.51 N ATOM 914 HZ1 LYS A 973 -43.063 -4.664 34.597 1.00 0.00 H ATOM 915 HZ2 LYS A 973 -43.808 -5.153 36.044 1.00 0.00 H ATOM 916 HZ3 LYS A 973 -44.542 -3.972 35.067 1.00 0.00 H ATOM 917 H LYS A 973 -40.833 0.453 36.076 1.00 0.00 H ATOM 918 N ARG A 974 -39.279 0.124 33.366 1.00 91.66 N ATOM 919 CA ARG A 974 -38.745 0.593 32.093 1.00 88.55 C ATOM 920 C ARG A 974 -37.381 1.271 32.315 1.00 89.42 C ATOM 921 O ARG A 974 -36.403 0.968 31.638 1.00 87.69 O ATOM 922 CB ARG A 974 -39.751 1.533 31.420 1.00 73.00 C ATOM 923 CG ARG A 974 -39.260 2.200 30.152 1.00 99.40 C ATOM 924 CD ARG A 974 -40.068 3.469 29.876 1.00136.49 C ATOM 925 NE ARG A 974 -39.584 4.224 28.718 1.00162.89 N ATOM 926 CZ ARG A 974 -38.474 4.961 28.708 1.00153.04 C ATOM 927 NH1 ARG A 974 -37.713 5.037 29.795 1.00115.27 N ATOM 928 NH2 ARG A 974 -38.119 5.615 27.606 1.00140.98 N ATOM 929 HE ARG A 974 -40.145 4.182 27.843 1.00 0.00 H ATOM 930 HH12 ARG A 974 -36.847 5.613 29.784 1.00 0.00 H ATOM 931 HH11 ARG A 974 -37.983 4.520 30.656 1.00 0.00 H ATOM 932 HH22 ARG A 974 -37.252 6.190 27.599 1.00 0.00 H ATOM 933 HH21 ARG A 974 -38.708 5.551 26.751 1.00 0.00 H ATOM 934 H ARG A 974 -40.261 0.357 33.617 1.00 0.00 H ATOM 935 N GLN A 975 -37.304 2.155 33.297 1.00 73.23 N ATOM 936 CA GLN A 975 -36.044 2.811 33.602 1.00 84.01 C ATOM 937 C GLN A 975 -34.958 1.825 34.007 1.00 82.25 C ATOM 938 O GLN A 975 -33.792 1.975 33.637 1.00 77.07 O ATOM 939 CB GLN A 975 -36.236 3.859 34.692 1.00 80.34 C ATOM 940 CG GLN A 975 -37.100 5.009 34.227 1.00 98.11 C ATOM 941 CD GLN A 975 -37.054 6.190 35.162 1.00 95.98 C ATOM 942 OE1 GLN A 975 -36.127 6.336 35.965 1.00 85.57 O ATOM 943 NE2 GLN A 975 -38.063 7.045 35.069 1.00103.04 N ATOM 944 HE22 GLN A 975 -38.822 6.881 34.377 1.00 0.00 H ATOM 945 HE21 GLN A 975 -38.096 7.880 35.688 1.00 0.00 H ATOM 946 H GLN A 975 -38.152 2.382 33.855 1.00 0.00 H ATOM 947 N MET A 976 -35.349 0.815 34.769 1.00 90.15 N ATOM 948 CA MET A 976 -34.411 -0.178 35.255 1.00 86.80 C ATOM 949 C MET A 976 -33.738 -0.885 34.080 1.00 95.17 C ATOM 950 O MET A 976 -32.522 -1.119 34.091 1.00 78.44 O ATOM 951 CB MET A 976 -35.157 -1.182 36.109 1.00 76.83 C ATOM 952 CG MET A 976 -34.364 -1.691 37.262 1.00 85.77 C ATOM 953 SD MET A 976 -35.320 -2.963 38.091 1.00 96.45 S ATOM 954 CE MET A 976 -34.002 -4.062 38.596 1.00 99.68 C ATOM 955 H MET A 976 -36.354 0.732 35.025 1.00 0.00 H ATOM 956 N LEU A 977 -34.539 -1.209 33.065 1.00 78.76 N ATOM 957 CA LEU A 977 -34.042 -1.897 31.881 1.00 73.41 C ATOM 958 C LEU A 977 -33.054 -1.045 31.117 1.00 83.91 C ATOM 959 O LEU A 977 -32.014 -1.521 30.676 1.00 90.12 O ATOM 960 CB LEU A 977 -35.196 -2.276 30.965 1.00 71.10 C ATOM 961 CG LEU A 977 -36.093 -3.367 31.535 1.00 86.79 C ATOM 962 CD1 LEU A 977 -37.250 -3.654 30.607 1.00 76.25 C ATOM 963 CD2 LEU A 977 -35.288 -4.630 31.793 1.00 81.90 C ATOM 964 H LEU A 977 -35.548 -0.963 33.120 1.00 0.00 H ATOM 965 N THR A 978 -33.392 0.224 30.954 1.00 76.89 N ATOM 966 CA THR A 978 -32.524 1.150 30.256 1.00 73.34 C ATOM 967 C THR A 978 -31.202 1.324 30.993 1.00 90.19 C ATOM 968 O THR A 978 -30.140 1.463 30.376 1.00 89.59 O ATOM 969 CB THR A 978 -33.201 2.505 30.119 1.00 80.12 C ATOM 970 OG1 THR A 978 -34.405 2.352 29.357 1.00 92.15 O ATOM 971 CG2 THR A 978 -32.276 3.488 29.430 1.00108.95 C ATOM 972 HG1 THR A 978 -35.011 1.722 29.822 1.00 0.00 H ATOM 973 H THR A 978 -34.299 0.563 31.334 1.00 0.00 H ATOM 974 N ALA A 979 -31.277 1.309 32.318 1.00 76.21 N ATOM 975 CA ALA A 979 -30.093 1.492 33.140 1.00 85.77 C ATOM 976 C ALA A 979 -29.149 0.339 32.911 1.00 93.79 C ATOM 977 O ALA A 979 -27.929 0.519 32.844 1.00 88.72 O ATOM 978 CB ALA A 979 -30.467 1.565 34.599 1.00 75.86 C ATOM 979 H ALA A 979 -32.199 1.164 32.776 1.00 0.00 H ATOM 980 N SER A 980 -29.729 -0.851 32.801 1.00 82.86 N ATOM 981 CA SER A 980 -28.949 -2.059 32.595 1.00 90.53 C ATOM 982 C SER A 980 -28.493 -2.154 31.145 1.00 93.54 C ATOM 983 O SER A 980 -27.388 -2.612 30.851 1.00 78.08 O ATOM 984 CB SER A 980 -29.760 -3.293 32.996 1.00 85.70 C ATOM 985 OG SER A 980 -30.915 -3.435 32.193 1.00103.41 O ATOM 986 HG SER A 980 -31.488 -2.634 32.297 1.00 0.00 H ATOM 987 H SER A 980 -30.765 -0.919 32.864 1.00 0.00 H ATOM 988 N HIS A 981 -29.347 -1.704 30.236 1.00 98.72 N ATOM 989 CA HIS A 981 -28.986 -1.688 28.832 1.00 94.46 C ATOM 990 C HIS A 981 -27.697 -0.891 28.607 1.00 99.13 C ATOM 991 O HIS A 981 -26.718 -1.424 28.086 1.00 88.56 O ATOM 992 CB HIS A 981 -30.119 -1.121 27.988 1.00 92.81 C ATOM 993 CG HIS A 981 -29.810 -1.056 26.543 1.00117.18 C ATOM 994 ND1 HIS A 981 -30.011 -2.139 25.683 1.00136.40 N ATOM 995 CD2 HIS A 981 -29.301 -0.072 25.760 1.00114.82 C ATOM 996 CE1 HIS A 981 -29.641 -1.793 24.456 1.00131.08 C ATOM 997 NE2 HIS A 981 -29.211 -0.548 24.490 1.00115.62 N ATOM 998 H HIS A 981 -30.283 -1.360 30.532 1.00 0.00 H ATOM 999 N THR A 982 -27.680 0.376 29.012 1.00 95.58 N ATOM 1000 CA THR A 982 -26.487 1.178 28.802 1.00 95.73 C ATOM 1001 C THR A 982 -25.349 0.649 29.651 1.00 84.21 C ATOM 1002 O THR A 982 -24.188 0.956 29.401 1.00104.00 O ATOM 1003 CB THR A 982 -26.710 2.666 29.116 1.00 98.15 C ATOM 1004 OG1 THR A 982 -26.698 2.851 30.532 1.00 89.51 O ATOM 1005 CG2 THR A 982 -28.036 3.163 28.517 1.00 90.63 C ATOM 1006 HG1 THR A 982 -26.841 3.808 30.740 1.00 0.00 H ATOM 1007 H THR A 982 -28.514 0.789 29.475 1.00 0.00 H ATOM 1008 N LEU A 983 -25.672 -0.142 30.665 1.00 87.10 N ATOM 1009 CA LEU A 983 -24.608 -0.758 31.438 1.00 87.65 C ATOM 1010 C LEU A 983 -23.866 -1.720 30.525 1.00 86.85 C ATOM 1011 O LEU A 983 -22.638 -1.744 30.496 1.00 77.17 O ATOM 1012 CB LEU A 983 -25.136 -1.497 32.666 1.00 71.08 C ATOM 1013 CG LEU A 983 -24.012 -2.306 33.320 1.00 58.59 C ATOM 1014 CD1 LEU A 983 -22.849 -1.403 33.593 1.00 70.38 C ATOM 1015 CD2 LEU A 983 -24.463 -2.968 34.584 1.00 69.78 C ATOM 1016 H LEU A 983 -26.669 -0.318 30.902 1.00 0.00 H ATOM 1017 N ALA A 984 -24.625 -2.493 29.757 1.00 87.17 N ATOM 1018 CA ALA A 984 -24.042 -3.465 28.841 1.00 81.08 C ATOM 1019 C ALA A 984 -23.281 -2.741 27.755 1.00 87.57 C ATOM 1020 O ALA A 984 -22.132 -3.065 27.468 1.00 87.77 O ATOM 1021 CB ALA A 984 -25.117 -4.338 28.226 1.00 74.39 C ATOM 1022 H ALA A 984 -25.660 -2.403 29.810 1.00 0.00 H ATOM 1023 N VAL A 985 -23.920 -1.747 27.156 1.00 80.51 N ATOM 1024 CA VAL A 985 -23.269 -0.985 26.108 1.00 82.82 C ATOM 1025 C VAL A 985 -21.885 -0.519 26.562 1.00 86.16 C ATOM 1026 O VAL A 985 -20.899 -0.710 25.856 1.00 93.19 O ATOM 1027 CB VAL A 985 -24.106 0.218 25.699 1.00 87.04 C ATOM 1028 CG1 VAL A 985 -23.314 1.105 24.763 1.00 73.98 C ATOM 1029 CG2 VAL A 985 -25.403 -0.245 25.060 1.00 72.45 C ATOM 1030 H VAL A 985 -24.893 -1.512 27.439 1.00 0.00 H ATOM 1031 N ASP A 986 -21.807 0.069 27.751 1.00 83.48 N ATOM 1032 CA ASP A 986 -20.533 0.580 28.250 1.00 86.23 C ATOM 1033 C ASP A 986 -19.556 -0.530 28.557 1.00 79.42 C ATOM 1034 O ASP A 986 -18.352 -0.319 28.548 1.00 81.12 O ATOM 1035 CB ASP A 986 -20.731 1.449 29.487 1.00 90.21 C ATOM 1036 CG ASP A 986 -21.252 2.832 29.148 1.00116.63 C ATOM 1037 OD1 ASP A 986 -21.879 2.993 28.071 1.00120.85 O ATOM 1038 OD2 ASP A 986 -21.036 3.758 29.960 1.00133.70 O ATOM 1039 H ASP A 986 -22.663 0.167 28.333 1.00 0.00 H ATOM 1040 N ALA A 987 -20.078 -1.713 28.854 1.00 94.49 N ATOM 1041 CA ALA A 987 -19.224 -2.879 29.011 1.00 94.06 C ATOM 1042 C ALA A 987 -18.540 -3.164 27.676 1.00 99.08 C ATOM 1043 O ALA A 987 -17.336 -3.424 27.628 1.00 80.79 O ATOM 1044 CB ALA A 987 -20.032 -4.082 29.479 1.00 81.63 C ATOM 1045 H ALA A 987 -21.107 -1.807 28.976 1.00 0.00 H ATOM 1046 N LYS A 988 -19.318 -3.090 26.595 1.00 86.49 N ATOM 1047 CA LYS A 988 -18.797 -3.249 25.243 1.00 82.91 C ATOM 1048 C LYS A 988 -17.689 -2.240 24.982 1.00 98.27 C ATOM 1049 O LYS A 988 -16.579 -2.610 24.600 1.00 87.71 O ATOM 1050 CB LYS A 988 -19.921 -3.055 24.223 1.00 90.64 C ATOM 1051 CG LYS A 988 -19.481 -3.098 22.755 1.00109.42 C ATOM 1052 CD LYS A 988 -18.776 -4.420 22.417 1.00136.46 C ATOM 1053 CE LYS A 988 -18.738 -4.697 20.904 1.00120.79 C ATOM 1054 NZ LYS A 988 -17.929 -3.718 20.126 1.00116.58 N ATOM 1055 HZ1 LYS A 988 -18.325 -2.765 20.253 1.00 0.00 H ATOM 1056 HZ2 LYS A 988 -16.946 -3.735 20.465 1.00 0.00 H ATOM 1057 HZ3 LYS A 988 -17.953 -3.973 19.118 1.00 0.00 H ATOM 1058 H LYS A 988 -20.335 -2.912 26.722 1.00 0.00 H ATOM 1059 N ASN A 989 -17.993 -0.963 25.199 1.00 84.87 N ATOM 1060 CA ASN A 989 -17.010 0.088 24.983 1.00 90.75 C ATOM 1061 C ASN A 989 -15.771 -0.134 25.829 1.00 94.00 C ATOM 1062 O ASN A 989 -14.671 0.231 25.430 1.00108.77 O ATOM 1063 CB ASN A 989 -17.593 1.471 25.256 1.00 81.53 C ATOM 1064 CG ASN A 989 -18.730 1.818 24.309 1.00120.01 C ATOM 1065 OD1 ASN A 989 -18.954 1.127 23.310 1.00113.42 O ATOM 1066 ND2 ASN A 989 -19.454 2.894 24.615 1.00115.31 N ATOM 1067 HD22 ASN A 989 -19.230 3.447 25.467 1.00 0.00 H ATOM 1068 HD21 ASN A 989 -20.244 3.181 24.002 1.00 0.00 H ATOM 1069 H ASN A 989 -18.947 -0.712 25.528 1.00 0.00 H ATOM 1070 N LEU A 990 -15.932 -0.739 26.999 1.00 94.78 N ATOM 1071 CA LEU A 990 -14.758 -1.076 27.793 1.00 96.82 C ATOM 1072 C LEU A 990 -13.881 -2.025 26.984 1.00 98.05 C ATOM 1073 O LEU A 990 -12.667 -1.855 26.908 1.00 84.22 O ATOM 1074 CB LEU A 990 -15.138 -1.724 29.123 1.00 82.87 C ATOM 1075 CG LEU A 990 -13.912 -2.292 29.837 1.00 80.55 C ATOM 1076 CD1 LEU A 990 -13.217 -1.209 30.628 1.00 79.03 C ATOM 1077 CD2 LEU A 990 -14.283 -3.445 30.738 1.00 79.11 C ATOM 1078 H LEU A 990 -16.885 -0.970 27.345 1.00 0.00 H ATOM 1079 N LEU A 991 -14.512 -3.016 26.364 1.00 90.66 N ATOM 1080 CA LEU A 991 -13.786 -4.009 25.585 1.00 89.43 C ATOM 1081 C LEU A 991 -13.002 -3.372 24.440 1.00 87.06 C ATOM 1082 O LEU A 991 -11.809 -3.621 24.293 1.00 92.18 O ATOM 1083 CB LEU A 991 -14.740 -5.078 25.057 1.00 84.06 C ATOM 1084 CG LEU A 991 -14.108 -6.237 24.295 1.00 68.04 C ATOM 1085 CD1 LEU A 991 -12.883 -6.783 25.015 1.00 62.01 C ATOM 1086 CD2 LEU A 991 -15.144 -7.310 24.097 1.00 62.28 C ATOM 1087 H LEU A 991 -15.547 -3.084 26.437 1.00 0.00 H ATOM 1088 N ASP A 992 -13.667 -2.542 23.642 1.00 85.92 N ATOM 1089 CA ASP A 992 -12.996 -1.871 22.531 1.00 91.91 C ATOM 1090 C ASP A 992 -11.798 -1.078 23.023 1.00 99.53 C ATOM 1091 O ASP A 992 -10.720 -1.136 22.432 1.00 96.64 O ATOM 1092 CB ASP A 992 -13.950 -0.940 21.793 1.00 84.56 C ATOM 1093 CG ASP A 992 -15.108 -1.677 21.172 1.00114.23 C ATOM 1094 OD1 ASP A 992 -14.962 -2.890 20.907 1.00121.75 O ATOM 1095 OD2 ASP A 992 -16.164 -1.043 20.950 1.00132.03 O ATOM 1096 H ASP A 992 -14.678 -2.368 23.811 1.00 0.00 H ATOM 1097 N ALA A 993 -11.986 -0.338 24.110 1.00 91.67 N ATOM 1098 CA ALA A 993 -10.901 0.445 24.672 1.00 91.22 C ATOM 1099 C ALA A 993 -9.731 -0.460 25.028 1.00 86.09 C ATOM 1100 O ALA A 993 -8.576 -0.056 24.934 1.00 90.44 O ATOM 1101 CB ALA A 993 -11.375 1.214 25.887 1.00 86.32 C ATOM 1102 H ALA A 993 -12.922 -0.320 24.564 1.00 0.00 H ATOM 1103 N VAL A 994 -10.037 -1.688 25.429 1.00 89.22 N ATOM 1104 CA VAL A 994 -8.997 -2.629 25.821 1.00 90.57 C ATOM 1105 C VAL A 994 -8.338 -3.246 24.611 1.00 86.90 C ATOM 1106 O VAL A 994 -7.119 -3.320 24.535 1.00 94.43 O ATOM 1107 CB VAL A 994 -9.534 -3.770 26.685 1.00 94.85 C ATOM 1108 CG1 VAL A 994 -8.371 -4.574 27.258 1.00 82.31 C ATOM 1109 CG2 VAL A 994 -10.402 -3.226 27.796 1.00 98.88 C ATOM 1110 H VAL A 994 -11.034 -1.982 25.464 1.00 0.00 H ATOM 1111 N ASP A 995 -9.150 -3.707 23.670 1.00 84.96 N ATOM 1112 CA ASP A 995 -8.618 -4.291 22.453 1.00 85.98 C ATOM 1113 C ASP A 995 -7.730 -3.266 21.756 1.00106.67 C ATOM 1114 O ASP A 995 -6.607 -3.567 21.353 1.00 86.43 O ATOM 1115 CB ASP A 995 -9.751 -4.727 21.529 1.00 78.54 C ATOM 1116 CG ASP A 995 -10.478 -5.964 22.035 1.00112.50 C ATOM 1117 OD1 ASP A 995 -9.889 -6.717 22.854 1.00 96.85 O ATOM 1118 OD2 ASP A 995 -11.637 -6.185 21.599 1.00 85.61 O ATOM 1119 H ASP A 995 -10.180 -3.649 23.806 1.00 0.00 H ATOM 1120 N GLN A 996 -8.230 -2.042 21.639 1.00 97.24 N ATOM 1121 CA GLN A 996 -7.496 -1.005 20.939 1.00 85.44 C ATOM 1122 C GLN A 996 -6.219 -0.624 21.669 1.00 86.81 C ATOM 1123 O GLN A 996 -5.205 -0.364 21.043 1.00101.87 O ATOM 1124 CB GLN A 996 -8.367 0.223 20.719 1.00 86.73 C ATOM 1125 CG GLN A 996 -7.717 1.261 19.842 1.00 84.78 C ATOM 1126 CD GLN A 996 -8.502 2.542 19.807 1.00123.85 C ATOM 1127 OE1 GLN A 996 -9.109 2.935 20.806 1.00136.96 O ATOM 1128 NE2 GLN A 996 -8.510 3.202 18.655 1.00118.99 N ATOM 1129 HE22 GLN A 996 -7.982 2.831 17.839 1.00 0.00 H ATOM 1130 HE21 GLN A 996 -9.044 4.090 18.568 1.00 0.00 H ATOM 1131 H GLN A 996 -9.158 -1.824 22.054 1.00 0.00 H ATOM 1132 N ALA A 997 -6.260 -0.587 22.991 1.00 83.00 N ATOM 1133 CA ALA A 997 -5.058 -0.274 23.749 1.00100.77 C ATOM 1134 C ALA A 997 -4.058 -1.437 23.718 1.00106.69 C ATOM 1135 O ALA A 997 -2.845 -1.219 23.760 1.00 93.16 O ATOM 1136 CB ALA A 997 -5.403 0.106 25.176 1.00 96.72 C ATOM 1137 H ALA A 997 -7.152 -0.782 23.489 1.00 0.00 H ATOM 1138 N LYS A 998 -4.568 -2.667 23.642 1.00 95.88 N ATOM 1139 CA LYS A 998 -3.717 -3.860 23.552 1.00109.45 C ATOM 1140 C LYS A 998 -2.845 -3.788 22.305 1.00106.84 C ATOM 1141 O LYS A 998 -1.705 -4.253 22.295 1.00101.99 O ATOM 1142 CB LYS A 998 -4.568 -5.133 23.479 1.00 91.18 C ATOM 1143 CG LYS A 998 -4.864 -5.830 24.800 1.00 86.55 C ATOM 1144 CD LYS A 998 -5.708 -7.086 24.548 1.00115.36 C ATOM 1145 CE LYS A 998 -5.986 -7.874 25.821 1.00111.82 C ATOM 1146 NZ LYS A 998 -6.751 -9.124 25.551 1.00118.24 N ATOM 1147 HZ1 LYS A 998 -7.663 -8.883 25.113 1.00 0.00 H ATOM 1148 HZ2 LYS A 998 -6.205 -9.731 24.907 1.00 0.00 H ATOM 1149 HZ3 LYS A 998 -6.917 -9.627 26.446 1.00 0.00 H ATOM 1150 H LYS A 998 -5.601 -2.785 23.647 1.00 0.00 H ATOM 1151 N VAL A 999 -3.411 -3.210 21.250 1.00102.23 N ATOM 1152 CA VAL A 999 -2.740 -3.105 19.966 1.00 95.78 C ATOM 1153 C VAL A 999 -1.638 -2.053 19.988 1.00 95.14 C ATOM 1154 O VAL A 999 -0.476 -2.362 19.736 1.00100.07 O ATOM 1155 CB VAL A 999 -3.742 -2.787 18.833 1.00 94.28 C ATOM 1156 CG1 VAL A 999 -3.002 -2.455 17.555 1.00105.42 C ATOM 1157 CG2 VAL A 999 -4.678 -3.961 18.602 1.00 83.19 C ATOM 1158 H VAL A 999 -4.370 -2.819 21.348 1.00 0.00 H ATOM 1159 N LEU A1000 -2.012 -0.815 20.297 1.00 93.45 N ATOM 1160 CA LEU A1000 -1.066 0.296 20.336 1.00100.29 C ATOM 1161 C LEU A1000 0.099 -0.028 21.255 1.00115.23 C ATOM 1162 O LEU A1000 1.176 0.558 21.153 1.00103.76 O ATOM 1163 CB LEU A1000 -1.771 1.566 20.800 1.00 95.17 C ATOM 1164 CG LEU A1000 -3.057 1.810 20.003 1.00117.66 C ATOM 1165 CD1 LEU A1000 -3.916 2.908 20.626 1.00110.86 C ATOM 1166 CD2 LEU A1000 -2.750 2.104 18.536 1.00 96.08 C ATOM 1167 H LEU A1000 -3.012 -0.632 20.518 1.00 0.00 H ATOM 1168 N ALA A1001 -0.138 -0.972 22.156 1.00120.21 N ATOM 1169 CA ALA A1001 0.905 -1.505 23.007 1.00103.40 C ATOM 1170 C ALA A1001 1.833 -2.361 22.160 1.00113.43 C ATOM 1171 O ALA A1001 3.030 -2.093 22.069 1.00127.21 O ATOM 1172 CB ALA A1001 0.291 -2.332 24.119 1.00105.34 C ATOM 1173 H ALA A1001 -1.105 -1.342 22.254 1.00 0.00 H ATOM 1174 N ASN A1002 1.261 -3.379 21.521 1.00127.65 N ATOM 1175 CA ASN A1002 2.042 -4.374 20.789 1.00129.01 C ATOM 1176 C ASN A1002 2.967 -3.778 19.717 1.00122.95 C ATOM 1177 O ASN A1002 4.069 -4.286 19.496 1.00127.72 O ATOM 1178 CB ASN A1002 1.126 -5.470 20.214 1.00 93.07 C ATOM 1179 CG ASN A1002 1.850 -6.398 19.246 1.00145.17 C ATOM 1180 OD1 ASN A1002 1.419 -6.582 18.103 1.00166.25 O ATOM 1181 ND2 ASN A1002 2.960 -6.980 19.695 1.00131.75 N ATOM 1182 HD22 ASN A1002 3.287 -6.797 20.665 1.00 0.00 H ATOM 1183 HD21 ASN A1002 3.500 -7.618 19.076 1.00 0.00 H ATOM 1184 H ASN A1002 0.225 -3.469 21.543 1.00 0.00 H ATOM 1185 N LEU A1003 2.533 -2.693 19.076 1.00102.78 N ATOM 1186 CA LEU A1003 3.319 -2.088 17.999 1.00124.18 C ATOM 1187 C LEU A1003 4.409 -1.121 18.482 1.00131.76 C ATOM 1188 O LEU A1003 5.432 -0.942 17.815 1.00155.20 O ATOM 1189 CB LEU A1003 2.425 -1.435 16.941 1.00 99.73 C ATOM 1190 CG LEU A1003 1.545 -0.251 17.311 1.00104.30 C ATOM 1191 CD1 LEU A1003 2.368 1.000 17.600 1.00115.42 C ATOM 1192 CD2 LEU A1003 0.588 -0.006 16.168 1.00 83.52 C ATOM 1193 H LEU A1003 1.622 -2.270 19.345 1.00 0.00 H ATOM 1194 N ALA A1004 4.198 -0.492 19.632 1.00130.53 N ATOM 1195 CA ALA A1004 5.275 0.272 20.253 1.00146.68 C ATOM 1196 C ALA A1004 6.433 -0.688 20.532 1.00155.14 C ATOM 1197 O ALA A1004 7.598 -0.381 20.253 1.00127.79 O ATOM 1198 CB ALA A1004 4.799 0.924 21.538 1.00125.06 C ATOM 1199 H ALA A1004 3.266 -0.544 20.090 1.00 0.00 H ATOM 1200 N HIS A1005 6.088 -1.852 21.087 1.00158.49 N ATOM 1201 CA HIS A1005 7.020 -2.959 21.269 1.00155.63 C ATOM 1202 C HIS A1005 7.221 -3.658 19.930 1.00136.31 C ATOM 1203 O HIS A1005 8.179 -4.404 19.749 1.00143.31 O ATOM 1204 CB HIS A1005 6.486 -3.944 22.310 1.00126.36 C ATOM 1205 H HIS A1005 5.106 -1.976 21.405 1.00 0.00 H TER 1206 HIS A1005 HETATM 1207 O HOH 1 -29.491 0.601 47.764 1.00 99.50 O HETATM 1208 O HOH 2 -21.510 -16.425 30.253 1.00 99.50 O HETATM 1209 N SER A 3 -7.921 -1.024 42.622 1.00 0.24 N HETATM 1210 CA SER A 3 -8.744 0.151 42.894 1.00 0.06 C HETATM 1211 C SER A 3 -10.207 -0.056 42.527 1.00 0.23 C HETATM 1212 O SER A 3 -11.041 -0.203 43.412 1.00 -0.39 O HETATM 1213 N SER A 3 -10.502 -0.072 41.223 1.00 -0.26 N HETATM 1214 CA SER A 3 -11.880 -0.076 40.702 1.00 0.13 C HETATM 1215 C SER A 3 -12.863 -0.977 41.459 1.00 0.20 C HETATM 1216 O SER A 3 -13.964 -0.550 41.812 1.00 -0.39 O HETATM 1217 N SER A 3 -12.457 -2.221 41.697 1.00 -0.26 N HETATM 1218 CA SER A 3 -13.244 -3.158 42.495 1.00 0.16 C HETATM 1219 C SER A 3 -13.708 -2.505 43.801 1.00 0.21 C HETATM 1220 O SER A 3 -14.886 -2.611 44.151 1.00 -0.39 O HETATM 1221 N SER A 3 -12.812 -1.783 44.483 1.00 -0.26 N HETATM 1222 CA SER A 3 -13.115 -1.202 45.795 1.00 0.13 C HETATM 1223 C SER A 3 -14.383 -0.368 45.791 1.00 0.20 C HETATM 1224 O SER A 3 -15.311 -0.698 46.502 1.00 -0.39 O HETATM 1225 N SER A 3 -14.463 0.681 44.979 1.00 -0.26 N HETATM 1226 CA SER A 3 -15.663 1.515 44.939 1.00 0.13 C HETATM 1227 C SER A 3 -16.890 0.684 44.539 1.00 0.20 C HETATM 1228 O SER A 3 -18.032 1.030 44.874 1.00 -0.39 O HETATM 1229 N SER A 3 -16.635 -0.450 43.885 1.00 -0.26 N HETATM 1230 CA SER A 3 -17.701 -1.358 43.448 1.00 0.13 C HETATM 1231 C SER A 3 -18.211 -2.203 44.611 1.00 0.20 C HETATM 1232 O SER A 3 -19.419 -2.280 44.849 1.00 -0.39 O HETATM 1233 N SER A 3 -17.290 -2.847 45.327 1.00 -0.26 N HETATM 1234 CA SER A 3 -17.670 -3.652 46.484 1.00 0.14 C HETATM 1235 C SER A 3 -18.460 -2.796 47.450 1.00 0.21 C HETATM 1236 O SER A 3 -19.370 -3.287 48.114 1.00 -0.39 O HETATM 1237 N SER A 3 -18.069 -1.527 47.557 1.00 -0.26 N HETATM 1238 CA SER A 3 -18.790 -0.555 48.361 1.00 0.13 C HETATM 1239 C SER A 3 -20.178 -0.367 47.772 1.00 0.20 C HETATM 1240 O SER A 3 -21.184 -0.410 48.486 1.00 -0.39 O HETATM 1241 N SER A 3 -20.226 -0.163 46.460 1.00 -0.26 N HETATM 1242 CA SER A 3 -21.492 -0.049 45.762 1.00 0.13 C HETATM 1243 C SER A 3 -22.346 -1.285 46.039 1.00 0.20 C HETATM 1244 O SER A 3 -23.564 -1.197 46.151 1.00 -0.39 O HETATM 1245 N SER A 3 -21.675 -2.427 46.177 1.00 -0.26 N HETATM 1246 CA SER A 3 -22.302 -3.739 46.342 1.00 0.13 C HETATM 1247 C SER A 3 -22.962 -3.891 47.701 1.00 0.20 C HETATM 1248 O SER A 3 -24.092 -4.360 47.802 1.00 -0.39 O HETATM 1249 N SER A 3 -22.226 -3.511 48.742 1.00 -0.26 N HETATM 1250 CA SER A 3 -22.708 -3.596 50.110 1.00 0.13 C HETATM 1251 C SER A 3 -24.108 -3.004 50.210 1.00 0.20 C HETATM 1252 O SER A 3 -25.013 -3.653 50.723 1.00 -0.39 O HETATM 1253 N SER A 3 -24.307 -1.794 49.690 1.00 -0.26 N HETATM 1254 CA SER A 3 -25.621 -1.144 49.836 1.00 0.15 C HETATM 1255 C SER A 3 -26.805 -2.078 49.479 1.00 0.21 C HETATM 1256 O SER A 3 -27.925 -1.903 49.971 1.00 -0.39 O HETATM 1257 N SER A 3 -26.539 -3.094 48.657 1.00 -0.27 N HETATM 1258 CA SER A 3 -27.545 -4.112 48.315 1.00 0.12 C HETATM 1259 C SER A 3 -27.988 -4.920 49.546 1.00 0.21 C HETATM 1260 O SER A 3 -27.639 -6.097 49.698 1.00 -0.41 O HETATM 1261 O1 SER A 3 -28.719 -4.374 50.415 1.00 -0.41 O HETATM 1262 CB SER A 3 -27.021 -5.057 47.219 1.00 -0.01 C HETATM 1263 CG SER A 3 -27.571 -4.941 45.789 1.00 -0.04 C HETATM 1264 CD1 SER A 3 -28.434 -3.705 45.604 1.00 -0.06 C HETATM 1265 H SER A 3 -28.803 -3.667 44.568 1.00 0.02 H HETATM 1266 H SER A 3 -27.836 -2.806 45.814 1.00 0.02 H HETATM 1267 H SER A 3 -29.288 -3.747 46.296 1.00 0.02 H HETATM 1268 CD2 SER A 3 -26.436 -4.971 44.771 1.00 -0.06 C HETATM 1269 H SER A 3 -25.828 -5.874 44.927 1.00 0.02 H HETATM 1270 H SER A 3 -25.806 -4.078 44.898 1.00 0.02 H HETATM 1271 H SER A 3 -26.856 -4.982 43.754 1.00 0.02 H HETATM 1272 H SER A 3 -28.208 -5.819 45.607 1.00 0.03 H HETATM 1273 H SER A 3 -27.226 -6.083 47.558 1.00 0.03 H HETATM 1274 H SER A 3 -25.934 -4.902 47.157 1.00 0.03 H HETATM 1275 H SER A 3 -28.428 -3.589 47.920 1.00 0.08 H HETATM 1276 H SER A 3 -25.624 -3.167 48.259 1.00 0.19 H HETATM 1277 CB SER A 3 -25.699 0.213 49.102 1.00 0.08 C HETATM 1278 OG SER A 3 -25.666 0.076 47.694 1.00 -0.39 O HETATM 1279 H SER A 3 -24.856 -0.348 47.437 1.00 0.21 H HETATM 1280 H SER A 3 -24.845 0.832 49.415 1.00 0.06 H HETATM 1281 H SER A 3 -26.637 0.713 49.385 1.00 0.06 H HETATM 1282 H SER A 3 -25.727 -0.917 50.907 1.00 0.08 H HETATM 1283 H SER A 3 -23.568 -1.329 49.203 1.00 0.19 H HETATM 1284 CB SER A 3 -21.753 -2.883 51.051 1.00 -0.02 C HETATM 1285 H SER A 3 -22.131 -2.956 52.081 1.00 0.03 H HETATM 1286 H SER A 3 -21.676 -1.824 50.763 1.00 0.03 H HETATM 1287 H SER A 3 -20.760 -3.352 50.991 1.00 0.03 H HETATM 1288 H SER A 3 -22.756 -4.656 50.400 1.00 0.08 H HETATM 1289 H SER A 3 -21.307 -3.154 48.577 1.00 0.19 H HETATM 1290 CB SER A 3 -21.236 -4.831 46.209 1.00 -0.00 C HETATM 1291 CG SER A 3 -21.665 -6.048 45.412 1.00 -0.00 C HETATM 1292 SD SER A 3 -21.706 -5.673 43.647 1.00 -0.16 S HETATM 1293 CE SER A 3 -23.135 -6.650 43.154 1.00 -0.02 C HETATM 1294 H SER A 3 -23.305 -6.531 42.074 1.00 0.03 H HETATM 1295 H SER A 3 -24.023 -6.306 43.705 1.00 0.03 H HETATM 1296 H SER A 3 -22.951 -7.710 43.382 1.00 0.03 H HETATM 1297 H SER A 3 -22.669 -6.358 45.739 1.00 0.04 H HETATM 1298 H SER A 3 -20.952 -6.866 45.591 1.00 0.04 H HETATM 1299 H SER A 3 -20.960 -5.165 47.220 1.00 0.03 H HETATM 1300 H SER A 3 -20.357 -4.392 45.715 1.00 0.03 H HETATM 1301 H SER A 3 -23.062 -3.869 45.558 1.00 0.08 H HETATM 1302 H SER A 3 -20.676 -2.385 46.167 1.00 0.19 H HETATM 1303 CB SER A 3 -21.243 0.106 44.267 1.00 -0.01 C HETATM 1304 CG SER A 3 -21.785 1.365 43.606 1.00 -0.04 C HETATM 1305 CD1 SER A 3 -21.331 1.431 42.162 1.00 -0.06 C HETATM 1306 H SER A 3 -21.728 2.344 41.694 1.00 0.02 H HETATM 1307 H SER A 3 -21.704 0.549 41.620 1.00 0.02 H HETATM 1308 H SER A 3 -20.232 1.448 42.124 1.00 0.02 H HETATM 1309 CD2 SER A 3 -23.289 1.381 43.682 1.00 -0.06 C HETATM 1310 H SER A 3 -23.603 1.333 44.735 1.00 0.02 H HETATM 1311 H SER A 3 -23.693 0.514 43.139 1.00 0.02 H HETATM 1312 H SER A 3 -23.669 2.308 43.228 1.00 0.02 H HETATM 1313 H SER A 3 -21.394 2.243 44.141 1.00 0.03 H HETATM 1314 H SER A 3 -21.701 -0.758 43.763 1.00 0.03 H HETATM 1315 H SER A 3 -20.155 0.089 44.108 1.00 0.03 H HETATM 1316 H SER A 3 -22.025 0.841 46.128 1.00 0.08 H HETATM 1317 H SER A 3 -19.373 -0.087 45.944 1.00 0.19 H HETATM 1318 CB SER A 3 -18.042 0.767 48.386 1.00 -0.02 C HETATM 1319 H SER A 3 -18.599 1.492 48.998 1.00 0.03 H HETATM 1320 H SER A 3 -17.943 1.152 47.360 1.00 0.03 H HETATM 1321 H SER A 3 -17.042 0.614 48.818 1.00 0.03 H HETATM 1322 H SER A 3 -18.881 -0.932 49.390 1.00 0.08 H HETATM 1323 H SER A 3 -17.249 -1.233 47.066 1.00 0.19 H HETATM 1324 CB SER A 3 -16.456 -4.182 47.242 1.00 0.04 C HETATM 1325 CG SER A 3 -15.550 -5.025 46.393 1.00 0.04 C HETATM 1326 OD1 SER A 3 -15.927 -6.168 46.061 1.00 -0.57 O HETATM 1327 OD2 SER A 3 -14.436 -4.551 46.096 1.00 -0.57 O HETATM 1328 H SER A 3 -16.810 -4.791 48.087 1.00 0.05 H HETATM 1329 H SER A 3 -15.881 -3.325 47.623 1.00 0.05 H HETATM 1330 H SER A 3 -18.285 -4.498 46.144 1.00 0.08 H HETATM 1331 H SER A 3 -16.326 -2.778 45.069 1.00 0.19 H HETATM 1332 CB SER A 3 -17.219 -2.261 42.301 1.00 -0.01 C HETATM 1333 CG SER A 3 -18.225 -3.216 41.672 1.00 -0.04 C HETATM 1334 CD1 SER A 3 -19.124 -2.450 40.736 1.00 -0.06 C HETATM 1335 H SER A 3 -19.851 -3.138 40.281 1.00 0.02 H HETATM 1336 H SER A 3 -18.518 -1.982 39.946 1.00 0.02 H HETATM 1337 H SER A 3 -19.659 -1.670 41.298 1.00 0.02 H HETATM 1338 CD2 SER A 3 -17.499 -4.292 40.911 1.00 -0.06 C HETATM 1339 H SER A 3 -16.844 -4.848 41.598 1.00 0.02 H HETATM 1340 H SER A 3 -16.892 -3.833 40.117 1.00 0.02 H HETATM 1341 H SER A 3 -18.230 -4.981 40.463 1.00 0.02 H HETATM 1342 H SER A 3 -18.832 -3.678 42.464 1.00 0.03 H HETATM 1343 H SER A 3 -16.390 -2.870 42.690 1.00 0.03 H HETATM 1344 H SER A 3 -16.848 -1.604 41.501 1.00 0.03 H HETATM 1345 H SER A 3 -18.537 -0.748 43.076 1.00 0.08 H HETATM 1346 H SER A 3 -15.685 -0.689 43.686 1.00 0.19 H HETATM 1347 CB SER A 3 -15.458 2.631 43.948 1.00 -0.02 C HETATM 1348 H SER A 3 -16.359 3.261 43.914 1.00 0.03 H HETATM 1349 H SER A 3 -15.271 2.206 42.951 1.00 0.03 H HETATM 1350 H SER A 3 -14.595 3.240 44.255 1.00 0.03 H HETATM 1351 H SER A 3 -15.834 1.945 45.937 1.00 0.08 H HETATM 1352 H SER A 3 -13.690 0.903 44.386 1.00 0.19 H HETATM 1353 CB SER A 3 -11.963 -0.397 46.292 1.00 -0.02 C HETATM 1354 H SER A 3 -12.211 0.029 47.276 1.00 0.03 H HETATM 1355 H SER A 3 -11.751 0.417 45.583 1.00 0.03 H HETATM 1356 H SER A 3 -11.077 -1.043 46.385 1.00 0.03 H HETATM 1357 H SER A 3 -13.271 -2.035 46.496 1.00 0.08 H HETATM 1358 H SER A 3 -11.906 -1.635 44.086 1.00 0.19 H HETATM 1359 CB SER A 3 -12.430 -4.408 42.842 1.00 0.09 C HETATM 1360 OG1 SER A 3 -11.216 -4.006 43.489 1.00 -0.39 O HETATM 1361 H SER A 3 -10.705 -4.776 43.708 1.00 0.21 H HETATM 1362 CG2 SER A 3 -12.041 -5.172 41.545 1.00 -0.03 C HETATM 1363 H SER A 3 -11.457 -6.067 41.808 1.00 0.03 H HETATM 1364 H SER A 3 -11.437 -4.516 40.900 1.00 0.03 H HETATM 1365 H SER A 3 -12.953 -5.473 41.009 1.00 0.03 H HETATM 1366 H SER A 3 -13.017 -5.063 43.504 1.00 0.06 H HETATM 1367 H SER A 3 -14.127 -3.458 41.911 1.00 0.08 H HETATM 1368 H SER A 3 -11.584 -2.525 41.317 1.00 0.19 H HETATM 1369 CB SER A 3 -11.885 -0.408 39.226 1.00 -0.02 C HETATM 1370 H SER A 3 -12.920 -0.407 38.853 1.00 0.03 H HETATM 1371 H SER A 3 -11.441 -1.403 39.072 1.00 0.03 H HETATM 1372 H SER A 3 -11.297 0.344 38.679 1.00 0.03 H HETATM 1373 H SER A 3 -12.256 0.952 40.809 1.00 0.08 H HETATM 1374 H SER A 3 -9.748 -0.082 40.567 1.00 0.19 H HETATM 1375 CB SER A 3 -8.191 1.382 42.188 1.00 -0.00 C HETATM 1376 H SER A 3 -8.829 2.250 42.410 1.00 0.03 H HETATM 1377 H SER A 3 -8.176 1.206 41.102 1.00 0.03 H HETATM 1378 H SER A 3 -7.168 1.579 42.542 1.00 0.03 H HETATM 1379 H SER A 3 -8.700 0.337 43.977 1.00 0.11 H HETATM 1380 H SER A 3 -6.966 -0.833 42.882 1.00 0.20 H HETATM 1381 H SER A 3 -7.964 -1.244 41.639 1.00 0.20 H HETATM 1382 H SER A 3 -8.265 -1.806 43.157 1.00 0.20 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1209 1210 1380 1381 1382 CONECT 1210 1209 1211 1375 1379 CONECT 1211 1210 1212 1213 CONECT 1212 1211 CONECT 1213 1211 1214 1374 CONECT 1214 1213 1215 1369 1373 CONECT 1215 1214 1216 1217 CONECT 1216 1215 CONECT 1217 1215 1218 1368 CONECT 1218 1217 1219 1359 1367 CONECT 1219 1218 1220 1221 CONECT 1220 1219 CONECT 1221 1219 1222 1358 CONECT 1222 1221 1223 1353 1357 CONECT 1223 1222 1224 1225 CONECT 1224 1223 CONECT 1225 1223 1226 1352 CONECT 1226 1225 1227 1347 1351 CONECT 1227 1226 1228 1229 CONECT 1228 1227 CONECT 1229 1227 1230 1346 CONECT 1230 1229 1231 1332 1345 CONECT 1231 1230 1232 1233 CONECT 1232 1231 CONECT 1233 1231 1234 1331 CONECT 1234 1233 1235 1324 1330 CONECT 1235 1234 1236 1237 CONECT 1236 1235 CONECT 1237 1235 1238 1323 CONECT 1238 1237 1239 1318 1322 CONECT 1239 1238 1240 1241 CONECT 1240 1239 CONECT 1241 1239 1242 1317 CONECT 1242 1241 1243 1303 1316 CONECT 1243 1242 1244 1245 CONECT 1244 1243 CONECT 1245 1243 1246 1302 CONECT 1246 1245 1247 1290 1301 CONECT 1247 1246 1248 1249 CONECT 1248 1247 CONECT 1249 1247 1250 1289 CONECT 1250 1249 1251 1284 1288 CONECT 1251 1250 1252 1253 CONECT 1252 1251 CONECT 1253 1251 1254 1283 CONECT 1254 1253 1255 1277 1282 CONECT 1255 1254 1256 1257 CONECT 1256 1255 CONECT 1257 1255 1258 1276 CONECT 1258 1257 1259 1262 1275 CONECT 1259 1258 1260 1261 CONECT 1260 1259 CONECT 1261 1259 CONECT 1262 1258 1263 1273 1274 CONECT 1263 1262 1264 1268 1272 CONECT 1264 1263 1265 1266 1267 CONECT 1265 1264 CONECT 1266 1264 CONECT 1267 1264 CONECT 1268 1263 1269 1270 1271 CONECT 1269 1268 CONECT 1270 1268 CONECT 1271 1268 CONECT 1272 1263 CONECT 1273 1262 CONECT 1274 1262 CONECT 1275 1258 CONECT 1276 1257 CONECT 1277 1254 1278 1280 1281 CONECT 1278 1277 1279 CONECT 1279 1278 CONECT 1280 1277 CONECT 1281 1277 CONECT 1282 1254 CONECT 1283 1253 CONECT 1284 1250 1285 1286 1287 CONECT 1285 1284 CONECT 1286 1284 CONECT 1287 1284 CONECT 1288 1250 CONECT 1289 1249 CONECT 1290 1246 1291 1299 1300 CONECT 1291 1290 1292 1297 1298 CONECT 1292 1291 1293 CONECT 1293 1292 1294 1295 1296 CONECT 1294 1293 CONECT 1295 1293 CONECT 1296 1293 CONECT 1297 1291 CONECT 1298 1291 CONECT 1299 1290 CONECT 1300 1290 CONECT 1301 1246 CONECT 1302 1245 CONECT 1303 1242 1304 1314 1315 CONECT 1304 1303 1305 1309 1313 CONECT 1305 1304 1306 1307 1308 CONECT 1306 1305 CONECT 1307 1305 CONECT 1308 1305 CONECT 1309 1304 1310 1311 1312 CONECT 1310 1309 CONECT 1311 1309 CONECT 1312 1309 CONECT 1313 1304 CONECT 1314 1303 CONECT 1315 1303 CONECT 1316 1242 CONECT 1317 1241 CONECT 1318 1238 1319 1320 1321 CONECT 1319 1318 CONECT 1320 1318 CONECT 1321 1318 CONECT 1322 1238 CONECT 1323 1237 CONECT 1324 1234 1325 1328 1329 CONECT 1325 1324 1326 1327 CONECT 1326 1325 CONECT 1327 1325 CONECT 1328 1324 CONECT 1329 1324 CONECT 1330 1234 CONECT 1331 1233 CONECT 1332 1230 1333 1343 1344 CONECT 1333 1332 1334 1338 1342 CONECT 1334 1333 1335 1336 1337 CONECT 1335 1334 CONECT 1336 1334 CONECT 1337 1334 CONECT 1338 1333 1339 1340 1341 CONECT 1339 1338 CONECT 1340 1338 CONECT 1341 1338 CONECT 1342 1333 CONECT 1343 1332 CONECT 1344 1332 CONECT 1345 1230 CONECT 1346 1229 CONECT 1347 1226 1348 1349 1350 CONECT 1348 1347 CONECT 1349 1347 CONECT 1350 1347 CONECT 1351 1226 CONECT 1352 1225 CONECT 1353 1222 1354 1355 1356 CONECT 1354 1353 CONECT 1355 1353 CONECT 1356 1353 CONECT 1357 1222 CONECT 1358 1221 CONECT 1359 1218 1360 1362 1366 CONECT 1360 1359 1361 CONECT 1361 1360 CONECT 1362 1359 1363 1364 1365 CONECT 1363 1362 CONECT 1364 1362 CONECT 1365 1362 CONECT 1366 1359 CONECT 1367 1218 CONECT 1368 1217 CONECT 1369 1214 1370 1371 1372 CONECT 1370 1369 CONECT 1371 1369 CONECT 1372 1369 CONECT 1373 1214 CONECT 1374 1213 CONECT 1375 1210 1376 1377 1378 CONECT 1376 1375 CONECT 1377 1375 CONECT 1378 1375 CONECT 1379 1210 CONECT 1380 1209 CONECT 1381 1209 CONECT 1382 1209 MASTER 0 0 0 0 0 0 0 0 1381 1 178 10 END
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Entry Information
PDB ID
3u3f
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Protein-tyrosine kinase 2-beta, Pyk2 FAT domain
Ligand Name
17-mer
EC.Number
E.C.2.7.10.2
Resolution
3.1(Å)
Affinity (Kd/Ki/IC50)
Kd=8uM
Release Year
2012
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) J.Mol.Biol. Vol. 426: pp. 3985-4001
Ligand Properties
Formula
C
5
2
H
9
2
N
1
3
O
1
8
S
Molecular Weight
1219.430
Exact Mass
1218.640
No. of atoms
176
No. of bonds
175
Polar Surface Area
517.2
LOGP Value
-1.64 (
Computed with XLOGP3
)
-0.95 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 15
No. of Hydrogen Bond Acceptors: 18
No. of Rotatable Bonds: 50
No. of Nitrogen and Oxygen Atoms: 31
No. of Rings: 0
Canonical SMILES
CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)CO)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)C)C)C)CC(C)C)CC(=O)O)C)CC(C)C
InChI String
InChI=1S/C52H91N13O18S/c1-22(2)17-33(48(78)59-32(15-16-84-14)46(76)56-29(11)44(74)64-37(21-66)50(80)63-36(52(82)83)19-24(5)6)60-43(73)28(10)57-47(77)35(20-38(68)69)62-49(79)34(18-23(3)4)61-42(72)27(9)55-41(71)26(8)58-51(81)39(31(13)67)65-45(75)30(12)54-40(70)25(7)53/h22-37,39,66-67H,15-21,53H2,1-14H3,(H,54,70)(H,55,71)(H,56,76)(H,57,77)(H,58,81)(H,59,78)(H,60,73)(H,61,72)(H,62,79)(H,63,80)(H,64,74)(H,65,75)(H,68,69)(H,82,83)/p+1/t25-,26-,27-,28-,29-,30-,31+,32-,33-,34-,35-,36-,37-,39-/m0/s1
Links to External Databases
RCSB PDB
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PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q14289
P49023
Entrez Gene ID
NCBI Entrez Gene ID:
2185
5829
ASD
Information of known allosteric effects of PDB entries
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