Browse entries in the PDBbind-CN Database
HEADER 5KAT_COMPLEX COMPND 5KAT_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 165 MET GLU TYR GLN LEU GLN GLN LEU ALA SER LEU THR LEU SEQRES 2 A 165 VAL GLY ILE LYS GLU THR TYR GLU ASN GLY ARG GLN ALA SEQRES 3 A 165 GLN GLN HIS ILE ALA GLY PHE TRP GLN ARG CYS TYR GLN SEQRES 4 A 165 GLU GLY VAL ILE ALA ASP LEU GLN LEU LYS ASN ASN GLY SEQRES 5 A 165 ASP LEU ALA GLY ILE LEU GLY LEU CYS ILE PRO GLU LEU SEQRES 6 A 165 ASP GLY LYS MET SER TYR MET ILE ALA VAL THR GLY ASP SEQRES 7 A 165 ASN SER ALA ASP ILE ALA LYS TYR ASP VAL ILE THR LEU SEQRES 8 A 165 ALA SER SER LYS TYR MET VAL PHE GLU ALA GLN GLY ALA SEQRES 9 A 165 VAL PRO LYS ALA VAL GLN GLN LYS MET GLU GLU VAL HIS SEQRES 10 A 165 HIS TYR ILE HIS GLN TYR GLN ALA ASN THR VAL LYS SER SEQRES 11 A 165 ALA PRO PHE PHE GLU LEU TYR GLN ASP GLY ASP THR THR SEQRES 12 A 165 SER GLU LYS TYR ILE THR GLU ILE TRP MET PRO VAL LYS SEQRES 13 A 165 GLY LEU GLU HIS HIS HIS HIS HIS HIS HET P A 4P 45 ATOM 1 N MET A 1 -22.620 -8.342 -22.922 1.00 54.35 N ATOM 2 CA MET A 1 -21.217 -8.783 -23.156 1.00 50.44 C ATOM 3 C MET A 1 -21.188 -10.089 -23.940 1.00 47.47 C ATOM 4 O MET A 1 -22.037 -10.959 -23.743 1.00 50.45 O ATOM 5 CB MET A 1 -20.487 -8.951 -21.825 1.00 48.43 C ATOM 6 CG MET A 1 -18.974 -8.992 -21.946 1.00 47.53 C ATOM 7 SD MET A 1 -18.146 -8.517 -20.419 1.00 51.78 S ATOM 8 CE MET A 1 -18.639 -6.802 -20.258 1.00116.81 C ATOM 9 HN3 MET A 1 -23.126 -9.072 -22.380 1.00 0.00 H ATOM 10 HN2 MET A 1 -23.094 -8.197 -23.836 1.00 0.00 H ATOM 11 HN1 MET A 1 -22.617 -7.451 -22.386 1.00 0.00 H ATOM 12 N GLU A 2 -20.207 -10.222 -24.826 1.00 42.67 N ATOM 13 CA GLU A 2 -20.032 -11.446 -25.599 1.00 41.97 C ATOM 14 C GLU A 2 -19.282 -12.492 -24.788 1.00 35.23 C ATOM 15 O GLU A 2 -18.278 -12.188 -24.140 1.00 33.05 O ATOM 16 CB GLU A 2 -19.277 -11.159 -26.899 1.00 52.45 C ATOM 17 CG GLU A 2 -20.037 -10.293 -27.887 1.00 65.19 C ATOM 18 CD GLU A 2 -21.145 -11.050 -28.592 1.00 74.13 C ATOM 19 OE1 GLU A 2 -20.840 -12.067 -29.251 1.00 80.36 O ATOM 20 OE2 GLU A 2 -22.319 -10.634 -28.484 1.00 73.69 O ATOM 21 H GLU A 2 -19.546 -9.432 -24.972 1.00 0.00 H ATOM 22 N TYR A 3 -19.770 -13.726 -24.825 1.00 33.65 N ATOM 23 CA TYR A 3 -19.058 -14.838 -24.210 1.00 31.94 C ATOM 24 C TYR A 3 -19.508 -16.156 -24.824 1.00 32.16 C ATOM 25 O TYR A 3 -20.575 -16.234 -25.436 1.00 33.40 O ATOM 26 CB TYR A 3 -19.274 -14.856 -22.691 1.00 31.21 C ATOM 27 CG TYR A 3 -20.680 -15.217 -22.255 1.00 32.49 C ATOM 28 CD1 TYR A 3 -21.052 -16.542 -22.061 1.00 31.96 C ATOM 29 CD2 TYR A 3 -21.630 -14.231 -22.022 1.00 33.89 C ATOM 30 CE1 TYR A 3 -22.338 -16.874 -21.660 1.00 32.23 C ATOM 31 CE2 TYR A 3 -22.914 -14.553 -21.619 1.00 33.30 C ATOM 32 CZ TYR A 3 -23.262 -15.875 -21.441 1.00 33.78 C ATOM 33 OH TYR A 3 -24.538 -16.196 -21.037 1.00 36.51 O ATOM 34 HH TYR A 3 -24.720 -15.777 -20.159 1.00 0.00 H ATOM 35 H TYR A 3 -20.677 -13.902 -25.302 1.00 0.00 H ATOM 36 N GLN A 4 -18.676 -17.181 -24.661 1.00 29.52 N ATOM 37 CA GLN A 4 -19.000 -18.534 -25.096 1.00 31.01 C ATOM 38 C GLN A 4 -19.166 -19.434 -23.882 1.00 28.48 C ATOM 39 O GLN A 4 -18.449 -19.284 -22.892 1.00 27.10 O ATOM 40 CB GLN A 4 -17.904 -19.088 -26.010 1.00 40.09 C ATOM 41 CG GLN A 4 -17.926 -18.534 -27.426 1.00 54.74 C ATOM 42 CD GLN A 4 -19.050 -19.116 -28.261 1.00 67.98 C ATOM 43 OE1 GLN A 4 -19.415 -20.282 -28.107 1.00 69.76 O ATOM 44 NE2 GLN A 4 -19.608 -18.303 -29.150 1.00 75.08 N ATOM 45 HE22 GLN A 4 -19.267 -17.325 -29.246 1.00 0.00 H ATOM 46 HE21 GLN A 4 -20.386 -18.644 -29.750 1.00 0.00 H ATOM 47 H GLN A 4 -17.757 -17.010 -24.205 1.00 0.00 H ATOM 48 N LEU A 5 -20.115 -20.360 -23.956 1.00 33.09 N ATOM 49 CA LEU A 5 -20.228 -21.406 -22.950 1.00 35.52 C ATOM 50 C LEU A 5 -19.313 -22.567 -23.290 1.00 34.33 C ATOM 51 O LEU A 5 -19.309 -23.063 -24.417 1.00 36.72 O ATOM 52 CB LEU A 5 -21.664 -21.901 -22.831 1.00 40.57 C ATOM 53 CG LEU A 5 -22.657 -20.928 -22.203 1.00 45.77 C ATOM 54 CD1 LEU A 5 -24.014 -21.591 -22.098 1.00 47.65 C ATOM 55 CD2 LEU A 5 -22.185 -20.456 -20.835 1.00 47.39 C ATOM 56 H LEU A 5 -20.790 -20.337 -24.747 1.00 0.00 H ATOM 57 N GLN A 6 -18.536 -22.993 -22.303 1.00 29.88 N ATOM 58 CA GLN A 6 -17.662 -24.140 -22.456 1.00 32.83 C ATOM 59 C GLN A 6 -17.807 -25.022 -21.229 1.00 29.78 C ATOM 60 O GLN A 6 -18.255 -24.565 -20.177 1.00 27.65 O ATOM 61 CB GLN A 6 -16.206 -23.702 -22.641 1.00 42.44 C ATOM 62 CG GLN A 6 -15.965 -22.781 -23.836 1.00 55.62 C ATOM 63 CD GLN A 6 -16.033 -23.500 -25.171 1.00 67.59 C ATOM 64 OE1 GLN A 6 -16.345 -24.688 -25.239 1.00 69.04 O ATOM 65 NE2 GLN A 6 -15.733 -22.776 -26.244 1.00 74.53 N ATOM 66 HE22 GLN A 6 -15.475 -21.774 -26.140 1.00 0.00 H ATOM 67 HE21 GLN A 6 -15.757 -23.211 -27.188 1.00 0.00 H ATOM 68 H GLN A 6 -18.554 -22.490 -21.393 1.00 0.00 H ATOM 69 N GLN A 7 -17.444 -26.290 -21.380 1.00 31.94 N ATOM 70 CA GLN A 7 -17.447 -27.231 -20.271 1.00 32.66 C ATOM 71 C GLN A 7 -16.152 -28.030 -20.273 1.00 29.38 C ATOM 72 O GLN A 7 -15.678 -28.455 -21.327 1.00 30.55 O ATOM 73 CB GLN A 7 -18.652 -28.166 -20.360 1.00 37.70 C ATOM 74 CG GLN A 7 -18.765 -29.142 -19.198 1.00 39.89 C ATOM 75 CD GLN A 7 -20.071 -29.923 -19.198 1.00 43.62 C ATOM 76 OE1 GLN A 7 -20.520 -30.388 -18.151 1.00 45.57 O ATOM 77 NE2 GLN A 7 -20.681 -30.077 -20.370 1.00 44.20 N ATOM 78 HE22 GLN A 7 -20.265 -29.667 -21.230 1.00 0.00 H ATOM 79 HE21 GLN A 7 -21.574 -30.608 -20.426 1.00 0.00 H ATOM 80 H GLN A 7 -17.148 -26.621 -22.321 1.00 0.00 H ATOM 81 N LEU A 8 -15.579 -28.209 -19.087 1.00 24.43 N ATOM 82 CA LEU A 8 -14.359 -28.982 -18.923 1.00 22.62 C ATOM 83 C LEU A 8 -14.609 -30.182 -18.026 1.00 23.61 C ATOM 84 O LEU A 8 -15.327 -30.086 -17.032 1.00 23.06 O ATOM 85 CB LEU A 8 -13.244 -28.123 -18.326 1.00 21.63 C ATOM 86 CG LEU A 8 -12.780 -26.923 -19.146 1.00 23.54 C ATOM 87 CD1 LEU A 8 -11.717 -26.163 -18.371 1.00 24.05 C ATOM 88 CD2 LEU A 8 -12.260 -27.351 -20.515 1.00 25.50 C ATOM 89 H LEU A 8 -16.019 -27.781 -18.247 1.00 0.00 H ATOM 90 N ALA A 9 -14.020 -31.313 -18.395 1.00 25.85 N ATOM 91 CA ALA A 9 -13.915 -32.452 -17.495 1.00 25.94 C ATOM 92 C ALA A 9 -12.845 -32.135 -16.461 1.00 24.91 C ATOM 93 O ALA A 9 -12.141 -31.131 -16.585 1.00 22.40 O ATOM 94 CB ALA A 9 -13.568 -33.713 -18.261 1.00 26.93 C ATOM 95 H ALA A 9 -13.623 -31.387 -19.353 1.00 0.00 H ATOM 96 N SER A 10 -12.718 -32.979 -15.444 1.00 26.01 N ATOM 97 CA SER A 10 -11.661 -32.802 -14.463 1.00 27.77 C ATOM 98 C SER A 10 -10.302 -32.869 -15.149 1.00 26.27 C ATOM 99 O SER A 10 -10.074 -33.712 -16.020 1.00 24.60 O ATOM 100 CB SER A 10 -11.761 -33.853 -13.357 1.00 32.96 C ATOM 101 OG SER A 10 -12.724 -33.458 -12.392 1.00 37.58 O ATOM 102 HG SER A 10 -12.779 -34.146 -11.682 1.00 0.00 H ATOM 103 H SER A 10 -13.381 -33.774 -15.349 1.00 0.00 H ATOM 104 N LEU A 11 -9.421 -31.949 -14.766 1.00 26.03 N ATOM 105 CA LEU A 11 -8.094 -31.841 -15.352 1.00 25.57 C ATOM 106 C LEU A 11 -7.023 -31.783 -14.278 1.00 25.35 C ATOM 107 O LEU A 11 -7.264 -31.314 -13.164 1.00 25.98 O ATOM 108 CB LEU A 11 -7.993 -30.595 -16.234 1.00 26.06 C ATOM 109 CG LEU A 11 -8.782 -30.617 -17.543 1.00 29.14 C ATOM 110 CD1 LEU A 11 -8.799 -29.235 -18.169 1.00 30.59 C ATOM 111 CD2 LEU A 11 -8.196 -31.638 -18.514 1.00 29.47 C ATOM 112 H LEU A 11 -9.692 -31.280 -14.017 1.00 0.00 H ATOM 113 N THR A 12 -5.837 -32.259 -14.637 1.00 23.09 N ATOM 114 CA THR A 12 -4.666 -32.181 -13.782 1.00 21.98 C ATOM 115 C THR A 12 -3.808 -31.008 -14.223 1.00 23.02 C ATOM 116 O THR A 12 -3.393 -30.941 -15.381 1.00 25.00 O ATOM 117 CB THR A 12 -3.839 -33.476 -13.839 1.00 25.98 C ATOM 118 OG1 THR A 12 -4.642 -34.575 -13.400 1.00 32.17 O ATOM 119 CG2 THR A 12 -2.608 -33.373 -12.952 1.00 25.15 C ATOM 120 HG1 THR A 12 -5.432 -34.661 -13.990 1.00 0.00 H ATOM 121 H THR A 12 -5.742 -32.707 -15.571 1.00 0.00 H ATOM 122 N LEU A 13 -3.558 -30.085 -13.301 1.00 20.50 N ATOM 123 CA LEU A 13 -2.738 -28.911 -13.580 1.00 19.78 C ATOM 124 C LEU A 13 -1.393 -29.005 -12.868 1.00 21.71 C ATOM 125 O LEU A 13 -1.317 -29.402 -11.707 1.00 22.20 O ATOM 126 CB LEU A 13 -3.458 -27.631 -13.153 1.00 20.61 C ATOM 127 CG LEU A 13 -4.840 -27.372 -13.758 1.00 24.21 C ATOM 128 CD1 LEU A 13 -5.275 -25.945 -13.468 1.00 26.09 C ATOM 129 CD2 LEU A 13 -4.857 -27.634 -15.253 1.00 30.50 C ATOM 130 H LEU A 13 -3.960 -30.203 -12.349 1.00 0.00 H ATOM 131 N VAL A 14 -0.341 -28.621 -13.581 1.00 20.30 N ATOM 132 CA VAL A 14 1.019 -28.679 -13.068 1.00 20.66 C ATOM 133 C VAL A 14 1.645 -27.300 -13.155 1.00 18.44 C ATOM 134 O VAL A 14 1.608 -26.668 -14.208 1.00 16.86 O ATOM 135 CB VAL A 14 1.874 -29.673 -13.862 1.00 23.36 C ATOM 136 CG1 VAL A 14 3.230 -29.857 -13.193 1.00 22.53 C ATOM 137 CG2 VAL A 14 1.142 -30.989 -13.994 1.00 28.51 C ATOM 138 H VAL A 14 -0.495 -28.264 -14.546 1.00 0.00 H ATOM 139 N GLY A 15 2.225 -26.831 -12.057 1.00 17.05 N ATOM 140 CA GLY A 15 2.822 -25.510 -12.054 1.00 16.92 C ATOM 141 C GLY A 15 3.302 -25.065 -10.693 1.00 16.71 C ATOM 142 O GLY A 15 3.795 -25.871 -9.902 1.00 18.32 O ATOM 143 H GLY A 15 2.251 -27.413 -11.196 1.00 0.00 H ATOM 144 N ILE A 16 3.175 -23.769 -10.433 1.00 15.60 N ATOM 145 CA ILE A 16 3.549 -23.209 -9.145 1.00 17.03 C ATOM 146 C ILE A 16 2.444 -22.303 -8.623 1.00 15.38 C ATOM 147 O ILE A 16 1.965 -21.419 -9.331 1.00 14.59 O ATOM 148 CB ILE A 16 4.872 -22.419 -9.227 1.00 15.86 C ATOM 149 CG1 ILE A 16 6.002 -23.356 -9.667 1.00 20.54 C ATOM 150 CG2 ILE A 16 5.186 -21.769 -7.871 1.00 15.27 C ATOM 151 CD1 ILE A 16 7.360 -22.716 -9.721 1.00 26.22 C ATOM 152 H ILE A 16 2.798 -23.139 -11.170 1.00 0.00 H ATOM 153 N LYS A 17 2.048 -22.549 -7.378 1.00 16.37 N ATOM 154 CA LYS A 17 1.077 -21.722 -6.684 1.00 18.44 C ATOM 155 C LYS A 17 1.752 -20.881 -5.611 1.00 18.71 C ATOM 156 O LYS A 17 2.512 -21.396 -4.790 1.00 20.87 O ATOM 157 CB LYS A 17 -0.014 -22.583 -6.040 1.00 20.31 C ATOM 158 CG LYS A 17 -1.112 -21.765 -5.370 1.00 23.09 C ATOM 159 CD LYS A 17 -2.168 -22.641 -4.710 1.00 25.82 C ATOM 160 CE LYS A 17 -1.769 -23.064 -3.305 1.00 29.73 C ATOM 161 NZ LYS A 17 -2.946 -23.562 -2.529 1.00 35.14 N ATOM 162 HZ1 LYS A 17 -3.657 -22.806 -2.457 1.00 0.00 H ATOM 163 HZ2 LYS A 17 -3.359 -24.383 -3.016 1.00 0.00 H ATOM 164 HZ3 LYS A 17 -2.638 -23.842 -1.576 1.00 0.00 H ATOM 165 H LYS A 17 2.451 -23.368 -6.880 1.00 0.00 H ATOM 166 N GLU A 18 1.459 -19.586 -5.627 1.00 16.39 N ATOM 167 CA GLU A 18 1.821 -18.692 -4.534 1.00 17.41 C ATOM 168 C GLU A 18 0.541 -18.166 -3.885 1.00 19.52 C ATOM 169 O GLU A 18 -0.536 -18.232 -4.483 1.00 18.99 O ATOM 170 CB GLU A 18 2.703 -17.547 -5.034 1.00 17.48 C ATOM 171 CG GLU A 18 4.092 -18.023 -5.450 1.00 17.15 C ATOM 172 CD GLU A 18 5.085 -16.895 -5.664 1.00 18.95 C ATOM 173 OE1 GLU A 18 4.660 -15.727 -5.816 1.00 19.18 O ATOM 174 OE2 GLU A 18 6.301 -17.185 -5.677 1.00 19.13 O ATOM 175 H GLU A 18 0.954 -19.196 -6.448 1.00 0.00 H ATOM 176 N THR A 19 0.667 -17.673 -2.656 1.00 21.90 N ATOM 177 CA THR A 19 -0.481 -17.208 -1.881 1.00 22.77 C ATOM 178 C THR A 19 -0.255 -15.786 -1.376 1.00 22.98 C ATOM 179 O THR A 19 0.800 -15.480 -0.816 1.00 24.97 O ATOM 180 CB THR A 19 -0.759 -18.144 -0.684 1.00 21.79 C ATOM 181 OG1 THR A 19 -0.884 -19.494 -1.153 1.00 19.54 O ATOM 182 CG2 THR A 19 -2.039 -17.733 0.045 1.00 23.09 C ATOM 183 HG1 THR A 19 -1.062 -20.094 -0.386 1.00 0.00 H ATOM 184 H THR A 19 1.615 -17.617 -2.232 1.00 0.00 H ATOM 185 N TYR A 20 -1.255 -14.929 -1.581 1.00 22.51 N ATOM 186 CA TYR A 20 -1.184 -13.523 -1.188 1.00 22.79 C ATOM 187 C TYR A 20 -2.331 -13.198 -0.245 1.00 24.25 C ATOM 188 O TYR A 20 -3.348 -13.893 -0.234 1.00 25.44 O ATOM 189 CB TYR A 20 -1.224 -12.622 -2.422 1.00 22.75 C ATOM 190 CG TYR A 20 -0.305 -13.109 -3.515 1.00 22.73 C ATOM 191 CD1 TYR A 20 1.067 -12.900 -3.443 1.00 26.72 C ATOM 192 CD2 TYR A 20 -0.804 -13.802 -4.604 1.00 20.86 C ATOM 193 CE1 TYR A 20 1.916 -13.363 -4.438 1.00 25.94 C ATOM 194 CE2 TYR A 20 0.033 -14.268 -5.598 1.00 21.01 C ATOM 195 CZ TYR A 20 1.392 -14.043 -5.513 1.00 22.83 C ATOM 196 OH TYR A 20 2.223 -14.508 -6.506 1.00 22.05 O ATOM 197 HH TYR A 20 3.159 -14.264 -6.293 1.00 0.00 H ATOM 198 H TYR A 20 -2.122 -15.275 -2.040 1.00 0.00 H ATOM 199 N GLU A 21 -2.166 -12.141 0.542 1.00 29.18 N ATOM 200 CA GLU A 21 -3.094 -11.840 1.628 1.00 42.56 C ATOM 201 C GLU A 21 -4.533 -11.663 1.146 1.00 43.86 C ATOM 202 O GLU A 21 -5.479 -11.962 1.879 1.00 47.81 O ATOM 203 CB GLU A 21 -2.637 -10.586 2.374 1.00 57.46 C ATOM 204 CG GLU A 21 -1.270 -10.728 3.034 1.00 69.11 C ATOM 205 CD GLU A 21 -1.231 -11.825 4.085 1.00 76.17 C ATOM 206 OE1 GLU A 21 -2.278 -12.088 4.713 1.00 79.35 O ATOM 207 OE2 GLU A 21 -0.151 -12.427 4.279 1.00 76.90 O ATOM 208 H GLU A 21 -1.354 -11.511 0.380 1.00 0.00 H ATOM 209 N ASN A 22 -4.698 -11.188 -0.084 1.00 47.31 N ATOM 210 CA ASN A 22 -6.026 -10.949 -0.633 1.00 50.65 C ATOM 211 C ASN A 22 -5.985 -10.734 -2.140 1.00 55.40 C ATOM 212 O ASN A 22 -4.940 -10.891 -2.768 1.00 48.97 O ATOM 213 CB ASN A 22 -6.655 -9.736 0.041 1.00 55.37 C ATOM 214 CG ASN A 22 -5.791 -8.508 -0.079 1.00 55.63 C ATOM 215 OD1 ASN A 22 -5.689 -7.912 -1.150 1.00 50.84 O ATOM 216 ND2 ASN A 22 -5.148 -8.131 1.016 1.00 60.34 N ATOM 217 HD22 ASN A 22 -5.266 -8.667 1.899 1.00 0.00 H ATOM 218 HD21 ASN A 22 -4.525 -7.299 0.993 1.00 0.00 H ATOM 219 H ASN A 22 -3.862 -10.983 -0.667 1.00 0.00 H ATOM 220 N GLY A 23 -7.124 -10.356 -2.710 1.00 62.92 N ATOM 221 CA GLY A 23 -7.239 -10.170 -4.144 1.00 63.15 C ATOM 222 C GLY A 23 -6.514 -8.943 -4.665 1.00 60.17 C ATOM 223 O GLY A 23 -5.980 -8.962 -5.775 1.00 50.63 O ATOM 224 H GLY A 23 -7.957 -10.189 -2.111 1.00 0.00 H ATOM 225 N ARG A 24 -6.499 -7.872 -3.875 1.00 70.20 N ATOM 226 CA ARG A 24 -5.836 -6.637 -4.283 1.00 77.31 C ATOM 227 C ARG A 24 -4.331 -6.743 -4.078 1.00 82.49 C ATOM 228 O ARG A 24 -3.546 -6.342 -4.939 1.00 75.44 O ATOM 229 CB ARG A 24 -6.381 -5.438 -3.504 1.00 83.37 C ATOM 230 CG ARG A 24 -5.813 -4.100 -3.964 1.00 87.56 C ATOM 231 CD ARG A 24 -6.109 -2.983 -2.976 1.00 92.86 C ATOM 232 NE ARG A 24 -5.135 -1.896 -3.082 1.00 96.36 N ATOM 233 CZ ARG A 24 -3.982 -1.847 -2.417 1.00 97.53 C ATOM 234 NH1 ARG A 24 -3.638 -2.822 -1.584 1.00 97.77 N ATOM 235 NH2 ARG A 24 -3.168 -0.814 -2.586 1.00 98.05 N ATOM 236 HE ARG A 24 -5.359 -1.107 -3.721 1.00 0.00 H ATOM 237 HH12 ARG A 24 -2.735 -2.773 -1.070 1.00 0.00 H ATOM 238 HH11 ARG A 24 -4.271 -3.635 -1.445 1.00 0.00 H ATOM 239 HH22 ARG A 24 -2.267 -0.772 -2.069 1.00 0.00 H ATOM 240 HH21 ARG A 24 -3.431 -0.046 -3.236 1.00 0.00 H ATOM 241 H ARG A 24 -6.969 -7.916 -2.948 1.00 0.00 H ATOM 242 N GLN A 25 -3.939 -7.280 -2.927 1.00 95.14 N ATOM 243 CA GLN A 25 -2.530 -7.454 -2.600 1.00 96.73 C ATOM 244 C GLN A 25 -1.852 -8.356 -3.627 1.00 88.49 C ATOM 245 O GLN A 25 -0.661 -8.224 -3.893 1.00 89.72 O ATOM 246 CB GLN A 25 -2.376 -8.041 -1.194 1.00 97.46 C ATOM 247 CG GLN A 25 -0.948 -8.058 -0.668 1.00 98.93 C ATOM 248 CD GLN A 25 -0.427 -6.670 -0.338 1.00103.13 C ATOM 249 OE1 GLN A 25 -0.224 -5.839 -1.224 1.00103.84 O ATOM 250 NE2 GLN A 25 -0.208 -6.413 0.946 1.00106.03 N ATOM 251 HE22 GLN A 25 -0.393 -7.145 1.662 1.00 0.00 H ATOM 252 HE21 GLN A 25 0.149 -5.480 1.236 1.00 0.00 H ATOM 253 H GLN A 25 -4.658 -7.585 -2.240 1.00 0.00 H ATOM 254 N ALA A 26 -2.624 -9.268 -4.206 1.00 64.66 N ATOM 255 CA ALA A 26 -2.096 -10.194 -5.197 1.00 53.33 C ATOM 256 C ALA A 26 -1.739 -9.472 -6.494 1.00 53.83 C ATOM 257 O ALA A 26 -0.715 -9.763 -7.111 1.00 41.90 O ATOM 258 CB ALA A 26 -3.104 -11.302 -5.470 1.00 51.80 C ATOM 259 H ALA A 26 -3.629 -9.322 -3.945 1.00 0.00 H ATOM 260 N GLN A 27 -2.580 -8.523 -6.894 1.00 72.00 N ATOM 261 CA GLN A 27 -2.441 -7.873 -8.192 1.00 78.88 C ATOM 262 C GLN A 27 -1.074 -7.231 -8.390 1.00 75.91 C ATOM 263 O GLN A 27 -0.570 -7.178 -9.510 1.00 68.57 O ATOM 264 CB GLN A 27 -3.537 -6.823 -8.375 1.00 88.08 C ATOM 265 CG GLN A 27 -4.894 -7.416 -8.713 1.00 88.66 C ATOM 266 CD GLN A 27 -5.927 -6.357 -9.043 1.00 87.61 C ATOM 267 OE1 GLN A 27 -5.964 -5.834 -10.158 1.00 87.44 O ATOM 268 NE2 GLN A 27 -6.774 -6.033 -8.072 1.00 85.61 N ATOM 269 HE22 GLN A 27 -6.706 -6.500 -7.145 1.00 0.00 H ATOM 270 HE21 GLN A 27 -7.505 -5.312 -8.238 1.00 0.00 H ATOM 271 H GLN A 27 -3.357 -8.237 -6.265 1.00 0.00 H ATOM 272 N GLN A 28 -0.466 -6.756 -7.309 1.00 76.47 N ATOM 273 CA GLN A 28 0.856 -6.146 -7.407 1.00 76.24 C ATOM 274 C GLN A 28 1.954 -7.212 -7.425 1.00 63.60 C ATOM 275 O GLN A 28 3.019 -7.001 -8.005 1.00 62.23 O ATOM 276 CB GLN A 28 1.087 -5.161 -6.254 1.00 83.83 C ATOM 277 CG GLN A 28 0.925 -5.752 -4.865 1.00 84.97 C ATOM 278 CD GLN A 28 1.166 -4.733 -3.764 1.00 85.57 C ATOM 279 OE1 GLN A 28 0.307 -3.896 -3.478 1.00 86.86 O ATOM 280 NE2 GLN A 28 2.339 -4.796 -3.142 1.00 84.37 N ATOM 281 HE22 GLN A 28 3.035 -5.519 -3.416 1.00 0.00 H ATOM 282 HE21 GLN A 28 2.561 -4.122 -2.381 1.00 0.00 H ATOM 283 H GLN A 28 -0.937 -6.819 -6.384 1.00 0.00 H ATOM 284 N HIS A 29 1.685 -8.360 -6.811 1.00 50.94 N ATOM 285 CA HIS A 29 2.677 -9.429 -6.725 1.00 39.26 C ATOM 286 C HIS A 29 2.573 -10.415 -7.888 1.00 31.82 C ATOM 287 O HIS A 29 3.555 -11.069 -8.240 1.00 27.35 O ATOM 288 CB HIS A 29 2.533 -10.176 -5.397 1.00 35.65 C ATOM 289 CG HIS A 29 2.766 -9.313 -4.197 1.00 34.68 C ATOM 290 ND1 HIS A 29 3.869 -8.496 -4.071 1.00 35.03 N ATOM 291 CD2 HIS A 29 2.037 -9.135 -3.069 1.00 36.14 C ATOM 292 CE1 HIS A 29 3.810 -7.852 -2.921 1.00 36.29 C ATOM 293 NE2 HIS A 29 2.707 -8.221 -2.293 1.00 37.38 N ATOM 294 H HIS A 29 0.748 -8.500 -6.382 1.00 0.00 H ATOM 295 N ILE A 30 1.392 -10.511 -8.493 1.00 30.58 N ATOM 296 CA ILE A 30 1.169 -11.473 -9.569 1.00 29.18 C ATOM 297 C ILE A 30 2.053 -11.148 -10.771 1.00 26.67 C ATOM 298 O ILE A 30 2.599 -12.050 -11.409 1.00 24.44 O ATOM 299 CB ILE A 30 -0.321 -11.512 -9.988 1.00 29.84 C ATOM 300 CG1 ILE A 30 -1.134 -12.264 -8.930 1.00 30.57 C ATOM 301 CG2 ILE A 30 -0.505 -12.218 -11.331 1.00 27.40 C ATOM 302 CD1 ILE A 30 -2.637 -12.067 -9.039 1.00 31.77 C ATOM 303 H ILE A 30 0.613 -9.890 -8.194 1.00 0.00 H ATOM 304 N ALA A 31 2.202 -9.862 -11.073 1.00 24.84 N ATOM 305 CA ALA A 31 3.093 -9.437 -12.151 1.00 24.86 C ATOM 306 C ALA A 31 4.535 -9.863 -11.865 1.00 23.89 C ATOM 307 O ALA A 31 5.239 -10.355 -12.751 1.00 22.11 O ATOM 308 CB ALA A 31 3.014 -7.933 -12.345 1.00 28.03 C ATOM 309 H ALA A 31 1.676 -9.146 -10.533 1.00 0.00 H ATOM 310 N GLY A 32 4.971 -9.678 -10.623 1.00 25.54 N ATOM 311 CA GLY A 32 6.301 -10.095 -10.218 1.00 25.79 C ATOM 312 C GLY A 32 6.435 -11.608 -10.240 1.00 23.90 C ATOM 313 O GLY A 32 7.504 -12.147 -10.532 1.00 26.19 O ATOM 314 H GLY A 32 4.346 -9.225 -9.926 1.00 0.00 H ATOM 315 N PHE A 33 5.338 -12.293 -9.934 1.00 19.05 N ATOM 316 CA PHE A 33 5.320 -13.748 -9.915 1.00 17.89 C ATOM 317 C PHE A 33 5.552 -14.283 -11.326 1.00 17.25 C ATOM 318 O PHE A 33 6.397 -15.155 -11.536 1.00 16.78 O ATOM 319 CB PHE A 33 3.991 -14.251 -9.342 1.00 18.37 C ATOM 320 CG PHE A 33 3.886 -15.753 -9.241 1.00 16.63 C ATOM 321 CD1 PHE A 33 5.011 -16.544 -9.092 1.00 16.36 C ATOM 322 CD2 PHE A 33 2.643 -16.371 -9.293 1.00 16.21 C ATOM 323 CE1 PHE A 33 4.898 -17.917 -9.001 1.00 15.75 C ATOM 324 CE2 PHE A 33 2.530 -17.743 -9.208 1.00 15.59 C ATOM 325 CZ PHE A 33 3.654 -18.516 -9.063 1.00 15.39 C ATOM 326 H PHE A 33 4.467 -11.774 -9.701 1.00 0.00 H ATOM 327 N TRP A 34 4.814 -13.742 -12.293 1.00 17.43 N ATOM 328 CA TRP A 34 5.022 -14.102 -13.691 1.00 19.59 C ATOM 329 C TRP A 34 6.479 -13.869 -14.073 1.00 19.75 C ATOM 330 O TRP A 34 7.122 -14.731 -14.672 1.00 19.21 O ATOM 331 CB TRP A 34 4.102 -13.295 -14.615 1.00 21.63 C ATOM 332 CG TRP A 34 2.721 -13.886 -14.799 1.00 23.69 C ATOM 333 CD1 TRP A 34 1.564 -13.468 -14.204 1.00 27.34 C ATOM 334 CD2 TRP A 34 2.360 -14.996 -15.635 1.00 22.92 C ATOM 335 NE1 TRP A 34 0.508 -14.250 -14.617 1.00 25.67 N ATOM 336 CE2 TRP A 34 0.972 -15.195 -15.493 1.00 23.31 C ATOM 337 CE3 TRP A 34 3.079 -15.844 -16.486 1.00 25.05 C ATOM 338 CZ2 TRP A 34 0.287 -16.201 -16.174 1.00 24.05 C ATOM 339 CZ3 TRP A 34 2.397 -16.845 -17.159 1.00 26.08 C ATOM 340 CH2 TRP A 34 1.016 -17.014 -16.999 1.00 25.65 C ATOM 341 HE1 TRP A 34 -0.481 -14.141 -14.313 1.00 0.00 H ATOM 342 H TRP A 34 4.077 -13.051 -12.047 1.00 0.00 H ATOM 343 N GLN A 35 6.994 -12.702 -13.698 1.00 22.66 N ATOM 344 CA GLN A 35 8.346 -12.292 -14.064 1.00 27.86 C ATOM 345 C GLN A 35 9.385 -13.272 -13.531 1.00 21.66 C ATOM 346 O GLN A 35 10.310 -13.648 -14.245 1.00 19.33 O ATOM 347 CB GLN A 35 8.625 -10.880 -13.541 1.00 44.10 C ATOM 348 CG GLN A 35 9.896 -10.233 -14.083 1.00 62.51 C ATOM 349 CD GLN A 35 11.151 -10.666 -13.343 1.00 76.56 C ATOM 350 OE1 GLN A 35 11.167 -10.747 -12.113 1.00 81.73 O ATOM 351 NE2 GLN A 35 12.211 -10.946 -14.092 1.00 80.18 N ATOM 352 HE22 GLN A 35 12.153 -10.864 -15.127 1.00 0.00 H ATOM 353 HE21 GLN A 35 13.100 -11.247 -13.644 1.00 0.00 H ATOM 354 H GLN A 35 6.413 -12.059 -13.124 1.00 0.00 H ATOM 355 N ARG A 36 9.223 -13.694 -12.281 1.00 20.18 N ATOM 356 CA ARG A 36 10.160 -14.626 -11.672 1.00 19.11 C ATOM 357 C ARG A 36 10.094 -15.990 -12.357 1.00 20.18 C ATOM 358 O ARG A 36 11.124 -16.626 -12.578 1.00 22.91 O ATOM 359 CB ARG A 36 9.888 -14.756 -10.169 1.00 18.13 C ATOM 360 CG ARG A 36 10.481 -13.608 -9.347 1.00 19.35 C ATOM 361 CD ARG A 36 10.267 -13.785 -7.845 1.00 19.71 C ATOM 362 NE ARG A 36 8.913 -13.425 -7.408 1.00 19.76 N ATOM 363 CZ ARG A 36 7.960 -14.292 -7.059 1.00 19.47 C ATOM 364 NH1 ARG A 36 8.175 -15.602 -7.082 1.00 19.65 N ATOM 365 NH2 ARG A 36 6.773 -13.844 -6.672 1.00 20.05 N ATOM 366 HE ARG A 36 8.677 -12.413 -7.367 1.00 0.00 H ATOM 367 HH12 ARG A 36 7.417 -16.258 -6.806 1.00 0.00 H ATOM 368 HH11 ARG A 36 9.101 -15.972 -7.376 1.00 0.00 H ATOM 369 HH22 ARG A 36 6.027 -14.516 -6.399 1.00 0.00 H ATOM 370 HH21 ARG A 36 6.588 -12.821 -6.641 1.00 0.00 H ATOM 371 H ARG A 36 8.411 -13.352 -11.728 1.00 0.00 H ATOM 372 N CYS A 37 8.893 -16.431 -12.718 1.00 19.48 N ATOM 373 CA CYS A 37 8.741 -17.723 -13.380 1.00 17.18 C ATOM 374 C CYS A 37 9.406 -17.717 -14.762 1.00 19.26 C ATOM 375 O CYS A 37 9.989 -18.718 -15.183 1.00 20.31 O ATOM 376 CB CYS A 37 7.261 -18.101 -13.497 1.00 17.31 C ATOM 377 SG CYS A 37 6.540 -18.704 -11.951 1.00 18.04 S ATOM 378 H CYS A 37 8.053 -15.849 -12.527 1.00 0.00 H ATOM 379 N TYR A 38 9.327 -16.593 -15.468 1.00 16.59 N ATOM 380 CA TYR A 38 10.042 -16.463 -16.731 1.00 18.83 C ATOM 381 C TYR A 38 11.548 -16.481 -16.491 1.00 22.87 C ATOM 382 O TYR A 38 12.280 -17.248 -17.123 1.00 23.60 O ATOM 383 CB TYR A 38 9.647 -15.176 -17.457 1.00 17.94 C ATOM 384 CG TYR A 38 8.440 -15.340 -18.345 1.00 19.26 C ATOM 385 CD1 TYR A 38 8.525 -16.052 -19.534 1.00 23.02 C ATOM 386 CD2 TYR A 38 7.216 -14.791 -17.995 1.00 20.94 C ATOM 387 CE1 TYR A 38 7.423 -16.212 -20.354 1.00 27.39 C ATOM 388 CE2 TYR A 38 6.106 -14.940 -18.809 1.00 24.72 C ATOM 389 CZ TYR A 38 6.216 -15.653 -19.987 1.00 28.08 C ATOM 390 OH TYR A 38 5.121 -15.812 -20.802 1.00 30.79 O ATOM 391 HH TYR A 38 5.377 -16.345 -21.596 1.00 0.00 H ATOM 392 H TYR A 38 8.751 -15.802 -15.116 1.00 0.00 H ATOM 393 N GLN A 39 11.995 -15.641 -15.561 1.00 24.47 N ATOM 394 CA GLN A 39 13.418 -15.461 -15.297 1.00 23.49 C ATOM 395 C GLN A 39 14.079 -16.758 -14.849 1.00 23.26 C ATOM 396 O GLN A 39 15.186 -17.071 -15.280 1.00 26.99 O ATOM 397 CB GLN A 39 13.628 -14.365 -14.244 1.00 24.96 C ATOM 398 CG GLN A 39 15.093 -14.025 -13.983 1.00 28.64 C ATOM 399 CD GLN A 39 15.276 -12.779 -13.129 1.00 31.28 C ATOM 400 OE1 GLN A 39 14.442 -11.875 -13.137 1.00 34.14 O ATOM 401 NE2 GLN A 39 16.375 -12.730 -12.387 1.00 31.37 N ATOM 402 HE22 GLN A 39 17.054 -13.517 -12.411 1.00 0.00 H ATOM 403 HE21 GLN A 39 16.557 -11.904 -11.782 1.00 0.00 H ATOM 404 H GLN A 39 11.307 -15.095 -15.004 1.00 0.00 H ATOM 405 N GLU A 40 13.397 -17.520 -14.000 1.00 17.96 N ATOM 406 CA GLU A 40 13.977 -18.746 -13.471 1.00 17.97 C ATOM 407 C GLU A 40 13.759 -19.940 -14.404 1.00 19.24 C ATOM 408 O GLU A 40 14.176 -21.050 -14.090 1.00 19.55 O ATOM 409 CB GLU A 40 13.404 -19.046 -12.084 1.00 17.38 C ATOM 410 CG GLU A 40 13.708 -17.959 -11.058 1.00 20.10 C ATOM 411 CD GLU A 40 15.188 -17.620 -10.995 1.00 20.06 C ATOM 412 OE1 GLU A 40 15.990 -18.546 -10.750 1.00 21.36 O ATOM 413 OE2 GLU A 40 15.547 -16.436 -11.196 1.00 19.33 O ATOM 414 H GLU A 40 12.439 -17.237 -13.711 1.00 0.00 H ATOM 415 N GLY A 41 13.119 -19.711 -15.547 1.00 21.80 N ATOM 416 CA GLY A 41 12.940 -20.760 -16.540 1.00 24.53 C ATOM 417 C GLY A 41 11.754 -21.669 -16.267 1.00 22.52 C ATOM 418 O GLY A 41 11.605 -22.719 -16.897 1.00 21.09 O ATOM 419 H GLY A 41 12.738 -18.762 -15.735 1.00 0.00 H ATOM 420 N VAL A 42 10.902 -21.270 -15.332 1.00 19.93 N ATOM 421 CA VAL A 42 9.764 -22.096 -14.964 1.00 17.41 C ATOM 422 C VAL A 42 8.734 -22.143 -16.087 1.00 18.15 C ATOM 423 O VAL A 42 8.136 -23.186 -16.331 1.00 18.42 O ATOM 424 CB VAL A 42 9.106 -21.592 -13.665 1.00 17.80 C ATOM 425 CG1 VAL A 42 7.749 -22.259 -13.430 1.00 16.92 C ATOM 426 CG2 VAL A 42 10.027 -21.868 -12.492 1.00 19.33 C ATOM 427 H VAL A 42 11.050 -20.357 -14.857 1.00 0.00 H ATOM 428 N ILE A 43 8.519 -21.026 -16.771 1.00 18.52 N ATOM 429 CA ILE A 43 7.549 -21.016 -17.859 1.00 17.88 C ATOM 430 C ILE A 43 8.004 -21.949 -18.978 1.00 18.83 C ATOM 431 O ILE A 43 7.215 -22.744 -19.486 1.00 16.65 O ATOM 432 CB ILE A 43 7.330 -19.606 -18.430 1.00 20.29 C ATOM 433 CG1 ILE A 43 6.839 -18.656 -17.333 1.00 20.80 C ATOM 434 CG2 ILE A 43 6.325 -19.649 -19.576 1.00 19.21 C ATOM 435 CD1 ILE A 43 5.504 -19.055 -16.695 1.00 19.90 C ATOM 436 H ILE A 43 9.042 -20.159 -16.531 1.00 0.00 H ATOM 437 N ALA A 44 9.273 -21.852 -19.357 1.00 18.16 N ATOM 438 CA ALA A 44 9.812 -22.702 -20.412 1.00 20.16 C ATOM 439 C ALA A 44 9.678 -24.178 -20.043 1.00 21.45 C ATOM 440 O ALA A 44 9.295 -25.003 -20.871 1.00 23.94 O ATOM 441 CB ALA A 44 11.256 -22.354 -20.674 1.00 20.34 C ATOM 442 H ALA A 44 9.893 -21.158 -18.893 1.00 0.00 H ATOM 443 N ASP A 45 9.978 -24.494 -18.787 1.00 18.68 N ATOM 444 CA ASP A 45 9.949 -25.865 -18.303 1.00 20.89 C ATOM 445 C ASP A 45 8.518 -26.419 -18.298 1.00 21.39 C ATOM 446 O ASP A 45 8.287 -27.564 -18.686 1.00 22.66 O ATOM 447 CB ASP A 45 10.557 -25.932 -16.899 1.00 22.84 C ATOM 448 CG ASP A 45 10.939 -27.345 -16.485 1.00 26.13 C ATOM 449 OD1 ASP A 45 11.591 -28.054 -17.281 1.00 29.53 O ATOM 450 OD2 ASP A 45 10.591 -27.745 -15.356 1.00 25.78 O ATOM 451 H ASP A 45 10.243 -23.734 -18.128 1.00 0.00 H ATOM 452 N LEU A 46 7.560 -25.600 -17.872 1.00 20.68 N ATOM 453 CA LEU A 46 6.160 -26.023 -17.813 1.00 20.67 C ATOM 454 C LEU A 46 5.578 -26.218 -19.206 1.00 18.92 C ATOM 455 O LEU A 46 4.770 -27.119 -19.431 1.00 20.19 O ATOM 456 CB LEU A 46 5.320 -25.004 -17.043 1.00 19.35 C ATOM 457 CG LEU A 46 5.542 -24.953 -15.534 1.00 16.43 C ATOM 458 CD1 LEU A 46 4.733 -23.820 -14.947 1.00 16.67 C ATOM 459 CD2 LEU A 46 5.157 -26.273 -14.885 1.00 15.05 C ATOM 460 H LEU A 46 7.812 -24.636 -17.574 1.00 0.00 H ATOM 461 N GLN A 47 5.993 -25.370 -20.140 1.00 18.60 N ATOM 462 CA GLN A 47 5.515 -25.466 -21.511 1.00 20.32 C ATOM 463 C GLN A 47 5.864 -26.821 -22.126 1.00 21.83 C ATOM 464 O GLN A 47 5.124 -27.327 -22.964 1.00 24.64 O ATOM 465 CB GLN A 47 6.089 -24.329 -22.360 1.00 22.88 C ATOM 466 CG GLN A 47 5.468 -22.966 -22.068 1.00 27.99 C ATOM 467 CD GLN A 47 4.090 -22.789 -22.693 1.00 34.66 C ATOM 468 OE1 GLN A 47 3.249 -23.689 -22.653 1.00 35.56 O ATOM 469 NE2 GLN A 47 3.859 -21.620 -23.282 1.00 39.60 N ATOM 470 HE22 GLN A 47 4.598 -20.888 -23.292 1.00 0.00 H ATOM 471 HE21 GLN A 47 2.940 -21.437 -23.732 1.00 0.00 H ATOM 472 H GLN A 47 6.672 -24.624 -19.887 1.00 0.00 H ATOM 473 N LEU A 48 6.980 -27.410 -21.703 1.00 20.15 N ATOM 474 CA LEU A 48 7.351 -28.751 -22.150 1.00 21.38 C ATOM 475 C LEU A 48 6.311 -29.791 -21.742 1.00 23.25 C ATOM 476 O LEU A 48 6.101 -30.777 -22.446 1.00 22.19 O ATOM 477 CB LEU A 48 8.712 -29.156 -21.580 1.00 20.88 C ATOM 478 CG LEU A 48 9.950 -28.444 -22.115 1.00 20.94 C ATOM 479 CD1 LEU A 48 11.150 -28.792 -21.243 1.00 21.90 C ATOM 480 CD2 LEU A 48 10.213 -28.829 -23.557 1.00 22.47 C ATOM 481 H LEU A 48 7.602 -26.905 -21.040 1.00 0.00 H ATOM 482 N LYS A 49 5.658 -29.555 -20.608 1.00 25.03 N ATOM 483 CA LYS A 49 4.737 -30.526 -20.022 1.00 28.16 C ATOM 484 C LYS A 49 3.293 -30.378 -20.500 1.00 27.33 C ATOM 485 O LYS A 49 2.458 -31.241 -20.227 1.00 26.33 O ATOM 486 CB LYS A 49 4.766 -30.409 -18.499 1.00 29.55 C ATOM 487 CG LYS A 49 6.152 -30.464 -17.901 1.00 30.57 C ATOM 488 CD LYS A 49 6.087 -30.437 -16.385 1.00 33.79 C ATOM 489 CE LYS A 49 7.477 -30.410 -15.766 1.00 37.90 C ATOM 490 NZ LYS A 49 8.354 -31.488 -16.301 1.00 43.32 N ATOM 491 HZ1 LYS A 49 7.927 -32.414 -16.096 1.00 0.00 H ATOM 492 HZ2 LYS A 49 8.456 -31.372 -17.329 1.00 0.00 H ATOM 493 HZ3 LYS A 49 9.289 -31.428 -15.850 1.00 0.00 H ATOM 494 H LYS A 49 5.808 -28.648 -20.122 1.00 0.00 H ATOM 495 N ASN A 50 2.997 -29.288 -21.200 1.00 26.73 N ATOM 496 CA ASN A 50 1.632 -29.007 -21.644 1.00 27.43 C ATOM 497 C ASN A 50 1.115 -30.101 -22.570 1.00 26.45 C ATOM 498 O ASN A 50 1.658 -30.307 -23.656 1.00 30.38 O ATOM 499 CB ASN A 50 1.571 -27.651 -22.354 1.00 29.11 C ATOM 500 CG ASN A 50 0.145 -27.170 -22.593 1.00 31.81 C ATOM 501 OD1 ASN A 50 -0.797 -27.962 -22.634 1.00 34.73 O ATOM 502 ND2 ASN A 50 -0.014 -25.865 -22.757 1.00 31.08 N ATOM 503 HD22 ASN A 50 0.810 -25.231 -22.715 1.00 0.00 H ATOM 504 HD21 ASN A 50 -0.962 -25.474 -22.928 1.00 0.00 H ATOM 505 H ASN A 50 3.755 -28.617 -21.438 1.00 0.00 H ATOM 506 N ASN A 51 0.063 -30.797 -22.141 1.00 24.11 N ATOM 507 CA ASN A 51 -0.478 -31.909 -22.918 1.00 23.92 C ATOM 508 C ASN A 51 -1.602 -31.471 -23.854 1.00 29.63 C ATOM 509 O ASN A 51 -2.176 -32.288 -24.569 1.00 31.07 O ATOM 510 CB ASN A 51 -0.969 -33.027 -21.992 1.00 23.73 C ATOM 511 CG ASN A 51 -2.165 -32.619 -21.142 1.00 27.46 C ATOM 512 OD1 ASN A 51 -2.702 -31.517 -21.269 1.00 26.20 O ATOM 513 ND2 ASN A 51 -2.590 -33.523 -20.266 1.00 33.03 N ATOM 514 HD22 ASN A 51 -2.108 -34.441 -20.191 1.00 0.00 H ATOM 515 HD21 ASN A 51 -3.405 -33.312 -19.655 1.00 0.00 H ATOM 516 H ASN A 51 -0.381 -30.544 -21.236 1.00 0.00 H ATOM 517 N GLY A 52 -1.913 -30.180 -23.842 1.00 38.16 N ATOM 518 CA GLY A 52 -2.875 -29.627 -24.775 1.00 44.30 C ATOM 519 C GLY A 52 -4.335 -29.832 -24.404 1.00 44.66 C ATOM 520 O GLY A 52 -5.214 -29.565 -25.226 1.00 49.30 O ATOM 521 H GLY A 52 -1.457 -29.553 -23.149 1.00 0.00 H ATOM 522 N ASP A 53 -4.608 -30.308 -23.190 1.00 35.69 N ATOM 523 CA ASP A 53 -5.987 -30.384 -22.718 1.00 33.33 C ATOM 524 C ASP A 53 -6.571 -28.981 -22.767 1.00 31.60 C ATOM 525 O ASP A 53 -7.705 -28.781 -23.193 1.00 33.36 O ATOM 526 CB ASP A 53 -6.070 -30.958 -21.303 1.00 33.13 C ATOM 527 CG ASP A 53 -5.803 -32.452 -21.258 1.00 32.80 C ATOM 528 OD1 ASP A 53 -5.866 -33.111 -22.317 1.00 31.59 O ATOM 529 OD2 ASP A 53 -5.541 -32.971 -20.152 1.00 32.68 O ATOM 530 H ASP A 53 -3.833 -30.628 -22.574 1.00 0.00 H ATOM 531 N LEU A 54 -5.774 -28.016 -22.320 1.00 28.56 N ATOM 532 CA LEU A 54 -6.015 -26.610 -22.608 1.00 27.62 C ATOM 533 C LEU A 54 -4.800 -26.080 -23.365 1.00 30.40 C ATOM 534 O LEU A 54 -3.658 -26.314 -22.962 1.00 30.29 O ATOM 535 CB LEU A 54 -6.263 -25.810 -21.327 1.00 25.63 C ATOM 536 CG LEU A 54 -7.630 -26.028 -20.674 1.00 29.91 C ATOM 537 CD1 LEU A 54 -7.651 -25.490 -19.253 1.00 28.32 C ATOM 538 CD2 LEU A 54 -8.730 -25.376 -21.502 1.00 36.01 C ATOM 539 H LEU A 54 -4.948 -28.275 -21.743 1.00 0.00 H ATOM 540 N ALA A 55 -5.050 -25.387 -24.472 1.00 33.09 N ATOM 541 CA ALA A 55 -3.978 -24.914 -25.343 1.00 37.19 C ATOM 542 C ALA A 55 -3.466 -23.553 -24.892 1.00 37.74 C ATOM 543 O ALA A 55 -4.021 -22.516 -25.256 1.00 42.23 O ATOM 544 CB ALA A 55 -4.458 -24.847 -26.787 1.00 43.24 C ATOM 545 H ALA A 55 -6.037 -25.176 -24.724 1.00 0.00 H ATOM 546 N GLY A 56 -2.400 -23.572 -24.100 1.00 34.03 N ATOM 547 CA GLY A 56 -1.792 -22.358 -23.589 1.00 33.14 C ATOM 548 C GLY A 56 -1.330 -22.536 -22.157 1.00 29.58 C ATOM 549 O GLY A 56 -1.293 -23.655 -21.640 1.00 29.93 O ATOM 550 H GLY A 56 -1.987 -24.489 -23.837 1.00 0.00 H ATOM 551 N ILE A 57 -0.977 -21.425 -21.520 1.00 26.29 N ATOM 552 CA ILE A 57 -0.580 -21.431 -20.119 1.00 23.74 C ATOM 553 C ILE A 57 -1.645 -20.707 -19.299 1.00 23.10 C ATOM 554 O ILE A 57 -2.211 -19.707 -19.745 1.00 24.70 O ATOM 555 CB ILE A 57 0.807 -20.777 -19.918 1.00 24.91 C ATOM 556 CG1 ILE A 57 1.185 -20.773 -18.439 1.00 27.54 C ATOM 557 CG2 ILE A 57 0.828 -19.366 -20.455 1.00 26.61 C ATOM 558 CD1 ILE A 57 2.664 -20.971 -18.205 1.00 31.89 C ATOM 559 H ILE A 57 -0.984 -20.523 -22.038 1.00 0.00 H ATOM 560 N LEU A 58 -1.933 -21.237 -18.114 1.00 20.36 N ATOM 561 CA LEU A 58 -2.982 -20.697 -17.254 1.00 19.17 C ATOM 562 C LEU A 58 -2.428 -19.860 -16.112 1.00 18.44 C ATOM 563 O LEU A 58 -1.379 -20.170 -15.550 1.00 18.72 O ATOM 564 CB LEU A 58 -3.825 -21.825 -16.654 1.00 18.92 C ATOM 565 CG LEU A 58 -4.772 -22.606 -17.567 1.00 23.24 C ATOM 566 CD1 LEU A 58 -4.013 -23.600 -18.419 1.00 22.87 C ATOM 567 CD2 LEU A 58 -5.813 -23.321 -16.730 1.00 26.17 C ATOM 568 H LEU A 58 -1.393 -22.064 -17.789 1.00 0.00 H ATOM 569 N GLY A 59 -3.157 -18.801 -15.780 1.00 18.00 N ATOM 570 CA GLY A 59 -2.995 -18.103 -14.521 1.00 18.24 C ATOM 571 C GLY A 59 -4.305 -18.211 -13.760 1.00 19.91 C ATOM 572 O GLY A 59 -5.278 -17.527 -14.087 1.00 21.64 O ATOM 573 H GLY A 59 -3.874 -18.459 -16.451 1.00 0.00 H ATOM 574 N LEU A 60 -4.337 -19.089 -12.763 1.00 18.69 N ATOM 575 CA LEU A 60 -5.554 -19.356 -12.004 1.00 20.03 C ATOM 576 C LEU A 60 -5.589 -18.585 -10.690 1.00 21.18 C ATOM 577 O LEU A 60 -4.619 -18.597 -9.935 1.00 19.60 O ATOM 578 CB LEU A 60 -5.683 -20.851 -11.699 1.00 20.02 C ATOM 579 CG LEU A 60 -5.678 -21.833 -12.872 1.00 21.75 C ATOM 580 CD1 LEU A 60 -4.318 -22.510 -12.998 1.00 20.51 C ATOM 581 CD2 LEU A 60 -6.793 -22.864 -12.720 1.00 23.72 C ATOM 582 H LEU A 60 -3.467 -19.602 -12.516 1.00 0.00 H ATOM 583 N CYS A 61 -6.717 -17.933 -10.420 1.00 22.28 N ATOM 584 CA CYS A 61 -6.980 -17.359 -9.105 1.00 21.70 C ATOM 585 C CYS A 61 -7.737 -18.386 -8.277 1.00 21.13 C ATOM 586 O CYS A 61 -8.863 -18.756 -8.611 1.00 19.09 O ATOM 587 CB CYS A 61 -7.780 -16.057 -9.212 1.00 25.37 C ATOM 588 SG CYS A 61 -6.896 -14.717 -10.041 1.00 32.65 S ATOM 589 H CYS A 61 -7.432 -17.830 -11.168 1.00 0.00 H ATOM 590 N ILE A 62 -7.100 -18.849 -7.207 1.00 18.58 N ATOM 591 CA ILE A 62 -7.662 -19.871 -6.337 1.00 17.63 C ATOM 592 C ILE A 62 -8.007 -19.244 -4.993 1.00 19.18 C ATOM 593 O ILE A 62 -7.129 -18.690 -4.326 1.00 18.84 O ATOM 594 CB ILE A 62 -6.669 -21.041 -6.131 1.00 19.54 C ATOM 595 CG1 ILE A 62 -6.250 -21.634 -7.482 1.00 17.64 C ATOM 596 CG2 ILE A 62 -7.277 -22.116 -5.237 1.00 19.23 C ATOM 597 CD1 ILE A 62 -5.049 -22.548 -7.402 1.00 17.31 C ATOM 598 H ILE A 62 -6.160 -18.465 -6.982 1.00 0.00 H ATOM 599 N PRO A 63 -9.287 -19.311 -4.590 1.00 22.42 N ATOM 600 CA PRO A 63 -9.632 -18.778 -3.269 1.00 25.64 C ATOM 601 C PRO A 63 -9.188 -19.725 -2.161 1.00 25.25 C ATOM 602 O PRO A 63 -9.303 -20.938 -2.327 1.00 25.09 O ATOM 603 CB PRO A 63 -11.161 -18.660 -3.326 1.00 25.74 C ATOM 604 CG PRO A 63 -11.579 -19.732 -4.271 1.00 23.81 C ATOM 605 CD PRO A 63 -10.471 -19.838 -5.297 1.00 22.55 C ATOM 606 N GLU A 64 -8.675 -19.175 -1.064 1.00 22.81 N ATOM 607 CA GLU A 64 -8.317 -19.973 0.106 1.00 22.72 C ATOM 608 C GLU A 64 -9.393 -19.789 1.166 1.00 23.55 C ATOM 609 O GLU A 64 -10.071 -18.768 1.190 1.00 24.20 O ATOM 610 CB GLU A 64 -6.947 -19.567 0.652 1.00 25.50 C ATOM 611 CG GLU A 64 -5.806 -19.668 -0.360 1.00 24.49 C ATOM 612 CD GLU A 64 -5.441 -21.098 -0.721 1.00 21.48 C ATOM 613 OE1 GLU A 64 -5.869 -22.029 -0.006 1.00 22.38 O ATOM 614 OE2 GLU A 64 -4.714 -21.290 -1.721 1.00 20.31 O ATOM 615 H GLU A 64 -8.524 -18.146 -1.038 1.00 0.00 H ATOM 616 N LEU A 65 -9.538 -20.767 2.052 1.00 25.33 N ATOM 617 CA LEU A 65 -10.642 -20.759 3.005 1.00 31.01 C ATOM 618 C LEU A 65 -10.497 -19.673 4.068 1.00 30.15 C ATOM 619 O LEU A 65 -11.490 -19.274 4.678 1.00 32.48 O ATOM 620 CB LEU A 65 -10.773 -22.127 3.682 1.00 39.79 C ATOM 621 CG LEU A 65 -11.143 -23.305 2.776 1.00 46.99 C ATOM 622 CD1 LEU A 65 -11.264 -24.575 3.595 1.00 51.17 C ATOM 623 CD2 LEU A 65 -12.434 -23.047 2.018 1.00 50.16 C ATOM 624 H LEU A 65 -8.854 -21.550 2.067 1.00 0.00 H ATOM 625 N ASP A 66 -9.275 -19.194 4.293 1.00 29.09 N ATOM 626 CA ASP A 66 -9.055 -18.150 5.294 1.00 34.49 C ATOM 627 C ASP A 66 -9.135 -16.737 4.711 1.00 36.86 C ATOM 628 O ASP A 66 -8.779 -15.766 5.381 1.00 41.29 O ATOM 629 CB ASP A 66 -7.703 -18.341 5.985 1.00 37.31 C ATOM 630 CG ASP A 66 -6.537 -18.322 5.019 1.00 39.19 C ATOM 631 OD1 ASP A 66 -6.752 -18.068 3.815 1.00 39.00 O ATOM 632 OD2 ASP A 66 -5.397 -18.558 5.474 1.00 42.29 O ATOM 633 H ASP A 66 -8.469 -19.566 3.752 1.00 0.00 H ATOM 634 N GLY A 67 -9.602 -16.628 3.470 1.00 32.12 N ATOM 635 CA GLY A 67 -9.794 -15.336 2.836 1.00 28.22 C ATOM 636 C GLY A 67 -8.625 -14.927 1.960 1.00 29.15 C ATOM 637 O GLY A 67 -8.750 -14.038 1.123 1.00 30.79 O ATOM 638 H GLY A 67 -9.836 -17.492 2.940 1.00 0.00 H ATOM 639 N LYS A 68 -7.480 -15.570 2.148 1.00 30.31 N ATOM 640 CA LYS A 68 -6.330 -15.318 1.285 1.00 30.10 C ATOM 641 C LYS A 68 -6.653 -15.717 -0.150 1.00 26.94 C ATOM 642 O LYS A 68 -7.610 -16.454 -0.394 1.00 27.47 O ATOM 643 CB LYS A 68 -5.103 -16.076 1.783 1.00 31.79 C ATOM 644 CG LYS A 68 -4.457 -15.445 3.001 1.00 35.68 C ATOM 645 CD LYS A 68 -3.257 -16.249 3.481 1.00 38.95 C ATOM 646 CE LYS A 68 -2.340 -15.409 4.359 1.00 43.36 C ATOM 647 NZ LYS A 68 -1.626 -16.225 5.376 1.00 45.48 N ATOM 648 HZ1 LYS A 68 -2.320 -16.694 5.992 1.00 0.00 H ATOM 649 HZ2 LYS A 68 -1.045 -16.942 4.897 1.00 0.00 H ATOM 650 HZ3 LYS A 68 -1.015 -15.607 5.948 1.00 0.00 H ATOM 651 H LYS A 68 -7.401 -16.262 2.920 1.00 0.00 H ATOM 652 N MET A 69 -5.871 -15.209 -1.097 1.00 25.76 N ATOM 653 CA MET A 69 -6.043 -15.571 -2.499 1.00 24.72 C ATOM 654 C MET A 69 -4.735 -16.075 -3.079 1.00 23.90 C ATOM 655 O MET A 69 -3.701 -15.407 -2.981 1.00 26.87 O ATOM 656 CB MET A 69 -6.546 -14.386 -3.323 1.00 29.95 C ATOM 657 CG MET A 69 -7.158 -14.811 -4.656 1.00 33.34 C ATOM 658 SD MET A 69 -6.978 -13.599 -5.980 1.00 68.12 S ATOM 659 CE MET A 69 -5.213 -13.685 -6.278 1.00 54.99 C ATOM 660 H MET A 69 -5.121 -14.539 -0.833 1.00 0.00 H ATOM 661 N SER A 70 -4.790 -17.256 -3.687 1.00 20.60 N ATOM 662 CA SER A 70 -3.632 -17.832 -4.354 1.00 19.17 C ATOM 663 C SER A 70 -3.706 -17.624 -5.855 1.00 20.84 C ATOM 664 O SER A 70 -4.785 -17.468 -6.431 1.00 21.81 O ATOM 665 CB SER A 70 -3.512 -19.323 -4.044 1.00 18.27 C ATOM 666 OG SER A 70 -3.192 -19.523 -2.682 1.00 20.70 O ATOM 667 HG SER A 70 -3.119 -20.493 -2.501 1.00 0.00 H ATOM 668 H SER A 70 -5.686 -17.783 -3.686 1.00 0.00 H ATOM 669 N TYR A 71 -2.534 -17.603 -6.473 1.00 18.82 N ATOM 670 CA TYR A 71 -2.415 -17.515 -7.915 1.00 18.22 C ATOM 671 C TYR A 71 -1.512 -18.647 -8.368 1.00 19.32 C ATOM 672 O TYR A 71 -0.432 -18.840 -7.809 1.00 20.20 O ATOM 673 CB TYR A 71 -1.852 -16.160 -8.334 1.00 21.02 C ATOM 674 CG TYR A 71 -1.998 -15.844 -9.805 1.00 23.86 C ATOM 675 CD1 TYR A 71 -0.987 -16.150 -10.707 1.00 21.73 C ATOM 676 CD2 TYR A 71 -3.139 -15.216 -10.288 1.00 28.02 C ATOM 677 CE1 TYR A 71 -1.113 -15.850 -12.049 1.00 22.04 C ATOM 678 CE2 TYR A 71 -3.276 -14.911 -11.625 1.00 27.33 C ATOM 679 CZ TYR A 71 -2.260 -15.228 -12.501 1.00 24.86 C ATOM 680 OH TYR A 71 -2.393 -14.918 -13.833 1.00 25.95 O ATOM 681 HH TYR A 71 -1.583 -15.210 -14.321 1.00 0.00 H ATOM 682 H TYR A 71 -1.666 -17.652 -5.902 1.00 0.00 H ATOM 683 N MET A 72 -1.961 -19.404 -9.362 1.00 19.88 N ATOM 684 CA MET A 72 -1.184 -20.523 -9.879 1.00 21.45 C ATOM 685 C MET A 72 -0.913 -20.367 -11.364 1.00 19.17 C ATOM 686 O MET A 72 -1.838 -20.240 -12.169 1.00 17.64 O ATOM 687 CB MET A 72 -1.903 -21.847 -9.626 1.00 17.58 C ATOM 688 CG MET A 72 -1.057 -23.075 -9.951 1.00 19.17 C ATOM 689 SD MET A 72 -1.948 -24.607 -9.634 1.00 17.92 S ATOM 690 CE MET A 72 -0.648 -25.813 -9.861 1.00 19.99 C ATOM 691 H MET A 72 -2.889 -19.193 -9.781 1.00 0.00 H ATOM 692 N ILE A 73 0.368 -20.370 -11.712 1.00 17.18 N ATOM 693 CA ILE A 73 0.786 -20.424 -13.103 1.00 17.65 C ATOM 694 C ILE A 73 1.004 -21.891 -13.437 1.00 18.29 C ATOM 695 O ILE A 73 1.845 -22.553 -12.828 1.00 19.48 O ATOM 696 CB ILE A 73 2.066 -19.603 -13.354 1.00 17.92 C ATOM 697 CG1 ILE A 73 1.786 -18.111 -13.144 1.00 17.50 C ATOM 698 CG2 ILE A 73 2.591 -19.840 -14.765 1.00 18.27 C ATOM 699 CD1 ILE A 73 3.039 -17.254 -13.069 1.00 19.69 C ATOM 700 H ILE A 73 1.094 -20.333 -10.968 1.00 0.00 H ATOM 701 N ALA A 74 0.250 -22.397 -14.404 1.00 18.04 N ATOM 702 CA ALA A 74 0.196 -23.830 -14.637 1.00 19.28 C ATOM 703 C ALA A 74 -0.132 -24.191 -16.079 1.00 20.13 C ATOM 704 O ALA A 74 -0.605 -23.355 -16.851 1.00 22.48 O ATOM 705 CB ALA A 74 -0.834 -24.451 -13.706 1.00 17.27 C ATOM 706 H ALA A 74 -0.311 -21.759 -15.004 1.00 0.00 H ATOM 707 N VAL A 75 0.128 -25.450 -16.421 1.00 17.95 N ATOM 708 CA VAL A 75 -0.351 -26.041 -17.662 1.00 19.01 C ATOM 709 C VAL A 75 -1.067 -27.346 -17.344 1.00 20.35 C ATOM 710 O VAL A 75 -0.843 -27.946 -16.293 1.00 20.97 O ATOM 711 CB VAL A 75 0.797 -26.314 -18.658 1.00 20.93 C ATOM 712 CG1 VAL A 75 1.504 -25.005 -19.022 1.00 20.01 C ATOM 713 CG2 VAL A 75 1.781 -27.326 -18.081 1.00 23.07 C ATOM 714 H VAL A 75 0.696 -26.035 -15.776 1.00 0.00 H ATOM 715 N THR A 76 -1.926 -27.789 -18.251 1.00 21.66 N ATOM 716 CA THR A 76 -2.534 -29.107 -18.124 1.00 23.77 C ATOM 717 C THR A 76 -1.487 -30.178 -18.453 1.00 26.69 C ATOM 718 O THR A 76 -0.821 -30.097 -19.483 1.00 28.33 O ATOM 719 CB THR A 76 -3.754 -29.248 -19.045 1.00 26.02 C ATOM 720 OG1 THR A 76 -3.372 -28.970 -20.397 1.00 25.31 O ATOM 721 CG2 THR A 76 -4.843 -28.267 -18.634 1.00 25.95 C ATOM 722 HG1 THR A 76 -2.671 -29.610 -20.679 1.00 0.00 H ATOM 723 H THR A 76 -2.169 -27.188 -19.064 1.00 0.00 H ATOM 724 N GLY A 77 -1.336 -31.162 -17.567 1.00 28.02 N ATOM 725 CA GLY A 77 -0.352 -32.224 -17.735 1.00 33.54 C ATOM 726 C GLY A 77 -0.818 -33.527 -17.101 1.00 43.26 C ATOM 727 O GLY A 77 -2.019 -33.710 -16.907 1.00 37.47 O ATOM 728 H GLY A 77 -1.944 -31.173 -16.723 1.00 0.00 H ATOM 729 N ASP A 78 0.114 -34.429 -16.775 1.00 70.87 N ATOM 730 CA ASP A 78 -0.247 -35.708 -16.150 1.00 89.91 C ATOM 731 C ASP A 78 0.892 -36.419 -15.397 1.00105.85 C ATOM 732 O ASP A 78 0.929 -36.388 -14.166 1.00 99.76 O ATOM 733 CB ASP A 78 -0.813 -36.661 -17.211 1.00105.61 C ATOM 734 CG ASP A 78 -2.333 -36.631 -17.279 1.00113.79 C ATOM 735 OD1 ASP A 78 -2.986 -36.704 -16.215 1.00116.77 O ATOM 736 OD2 ASP A 78 -2.876 -36.534 -18.399 1.00116.99 O ATOM 737 H ASP A 78 1.114 -34.221 -16.968 1.00 0.00 H ATOM 738 N ASN A 79 1.805 -37.054 -16.136 1.00123.04 N ATOM 739 CA ASN A 79 2.775 -38.016 -15.578 1.00115.04 C ATOM 740 C ASN A 79 3.527 -37.578 -14.314 1.00108.14 C ATOM 741 O ASN A 79 4.352 -36.666 -14.346 1.00 98.92 O ATOM 742 CB ASN A 79 3.803 -38.384 -16.651 1.00111.17 C ATOM 743 CG ASN A 79 3.226 -39.283 -17.729 1.00108.15 C ATOM 744 OD1 ASN A 79 2.115 -39.798 -17.599 1.00106.34 O ATOM 745 ND2 ASN A 79 3.989 -39.489 -18.796 1.00108.86 N ATOM 746 HD22 ASN A 79 4.921 -39.033 -18.864 1.00 0.00 H ATOM 747 HD21 ASN A 79 3.654 -40.106 -19.563 1.00 0.00 H ATOM 748 H ASN A 79 1.834 -36.861 -17.157 1.00 0.00 H ATOM 749 N SER A 80 3.276 -38.299 -13.223 1.00114.27 N ATOM 750 CA SER A 80 3.650 -37.875 -11.871 1.00118.52 C ATOM 751 C SER A 80 5.151 -37.767 -11.585 1.00118.08 C ATOM 752 O SER A 80 5.595 -36.793 -10.977 1.00115.22 O ATOM 753 CB SER A 80 3.034 -38.841 -10.855 1.00124.94 C ATOM 754 OG SER A 80 1.634 -38.951 -11.041 1.00126.37 O ATOM 755 HG SER A 80 1.262 -39.580 -10.373 1.00 0.00 H ATOM 756 H SER A 80 2.789 -39.211 -13.336 1.00 0.00 H ATOM 757 N ALA A 81 5.926 -38.771 -11.985 1.00 99.62 N ATOM 758 CA ALA A 81 7.353 -38.794 -11.666 1.00 89.96 C ATOM 759 C ALA A 81 8.057 -37.572 -12.247 1.00100.30 C ATOM 760 O ALA A 81 8.854 -36.921 -11.570 1.00 78.62 O ATOM 761 CB ALA A 81 7.998 -40.076 -12.181 1.00 95.58 C ATOM 762 H ALA A 81 5.511 -39.552 -12.533 1.00 0.00 H ATOM 763 N ASP A 82 7.747 -37.259 -13.500 1.00141.56 N ATOM 764 CA ASP A 82 8.337 -36.109 -14.171 1.00132.78 C ATOM 765 C ASP A 82 7.747 -34.805 -13.635 1.00117.83 C ATOM 766 O ASP A 82 8.344 -33.738 -13.785 1.00121.40 O ATOM 767 CB ASP A 82 8.122 -36.208 -15.682 1.00131.00 C ATOM 768 CG ASP A 82 8.922 -35.178 -16.454 1.00129.51 C ATOM 769 OD1 ASP A 82 10.086 -35.468 -16.802 1.00132.43 O ATOM 770 OD2 ASP A 82 8.385 -34.081 -16.716 1.00127.33 O ATOM 771 H ASP A 82 7.065 -37.851 -14.016 1.00 0.00 H ATOM 772 N ILE A 83 6.575 -34.898 -13.011 1.00 65.12 N ATOM 773 CA ILE A 83 5.927 -33.736 -12.409 1.00 64.15 C ATOM 774 C ILE A 83 6.806 -33.174 -11.291 1.00 69.66 C ATOM 775 O ILE A 83 6.754 -31.981 -10.987 1.00 60.74 O ATOM 776 CB ILE A 83 4.516 -34.098 -11.874 1.00 86.54 C ATOM 777 CG1 ILE A 83 3.448 -33.344 -12.662 1.00 92.28 C ATOM 778 CG2 ILE A 83 4.384 -33.829 -10.372 1.00 88.84 C ATOM 779 CD1 ILE A 83 3.376 -33.766 -14.117 1.00 97.12 C ATOM 780 H ILE A 83 6.107 -35.825 -12.950 1.00 0.00 H ATOM 781 N ALA A 84 7.591 -34.057 -10.678 1.00 79.82 N ATOM 782 CA ALA A 84 8.676 -33.668 -9.780 1.00 92.66 C ATOM 783 C ALA A 84 8.208 -32.786 -8.616 1.00 85.90 C ATOM 784 O ALA A 84 7.254 -33.132 -7.918 1.00 72.40 O ATOM 785 CB ALA A 84 9.775 -32.969 -10.579 1.00109.56 C ATOM 786 H ALA A 84 7.425 -35.070 -10.846 1.00 0.00 H ATOM 787 N LYS A 85 8.883 -31.656 -8.408 1.00 99.13 N ATOM 788 CA LYS A 85 8.634 -30.812 -7.246 1.00 95.33 C ATOM 789 C LYS A 85 7.749 -29.614 -7.579 1.00 53.07 C ATOM 790 O LYS A 85 7.759 -28.614 -6.862 1.00 41.40 O ATOM 791 CB LYS A 85 9.957 -30.325 -6.653 1.00131.84 C ATOM 792 CG LYS A 85 10.867 -31.433 -6.148 1.00162.09 C ATOM 793 CD LYS A 85 10.232 -32.215 -5.011 1.00169.53 C ATOM 794 CE LYS A 85 11.292 -32.835 -4.114 1.00167.81 C ATOM 795 NZ LYS A 85 10.708 -33.753 -3.100 1.00164.33 N ATOM 796 HZ1 LYS A 85 10.044 -33.225 -2.498 1.00 0.00 H ATOM 797 HZ2 LYS A 85 10.203 -34.524 -3.582 1.00 0.00 H ATOM 798 HZ3 LYS A 85 11.470 -34.150 -2.514 1.00 0.00 H ATOM 799 H LYS A 85 9.609 -31.368 -9.095 1.00 0.00 H ATOM 800 N TYR A 86 6.990 -29.713 -8.665 1.00 33.79 N ATOM 801 CA TYR A 86 5.994 -28.698 -8.984 1.00 25.10 C ATOM 802 C TYR A 86 4.769 -28.889 -8.115 1.00 22.50 C ATOM 803 O TYR A 86 4.555 -29.966 -7.556 1.00 21.21 O ATOM 804 CB TYR A 86 5.588 -28.759 -10.457 1.00 24.37 C ATOM 805 CG TYR A 86 6.565 -28.091 -11.388 1.00 25.35 C ATOM 806 CD1 TYR A 86 6.818 -26.730 -11.294 1.00 24.02 C ATOM 807 CD2 TYR A 86 7.226 -28.815 -12.371 1.00 27.97 C ATOM 808 CE1 TYR A 86 7.706 -26.109 -12.143 1.00 23.46 C ATOM 809 CE2 TYR A 86 8.119 -28.200 -13.229 1.00 28.12 C ATOM 810 CZ TYR A 86 8.350 -26.845 -13.110 1.00 25.72 C ATOM 811 OH TYR A 86 9.232 -26.218 -13.954 1.00 26.19 O ATOM 812 HH TYR A 86 10.130 -26.622 -13.851 1.00 0.00 H ATOM 813 H TYR A 86 7.109 -30.529 -9.299 1.00 0.00 H ATOM 814 N ASP A 87 3.965 -27.838 -8.006 1.00 22.59 N ATOM 815 CA ASP A 87 2.655 -27.951 -7.390 1.00 23.69 C ATOM 816 C ASP A 87 1.692 -28.577 -8.390 1.00 25.01 C ATOM 817 O ASP A 87 1.779 -28.324 -9.595 1.00 26.81 O ATOM 818 CB ASP A 87 2.145 -26.579 -6.938 1.00 26.05 C ATOM 819 CG ASP A 87 3.063 -25.922 -5.925 1.00 28.92 C ATOM 820 OD1 ASP A 87 3.536 -26.630 -5.011 1.00 32.91 O ATOM 821 OD2 ASP A 87 3.323 -24.703 -6.049 1.00 26.86 O ATOM 822 H ASP A 87 4.280 -26.916 -8.369 1.00 0.00 H ATOM 823 N VAL A 88 0.775 -29.391 -7.887 1.00 24.50 N ATOM 824 CA VAL A 88 -0.218 -30.040 -8.729 1.00 26.34 C ATOM 825 C VAL A 88 -1.586 -29.880 -8.096 1.00 27.13 C ATOM 826 O VAL A 88 -1.736 -30.013 -6.883 1.00 31.62 O ATOM 827 CB VAL A 88 0.089 -31.544 -8.927 1.00 32.07 C ATOM 828 CG1 VAL A 88 -1.027 -32.233 -9.718 1.00 37.68 C ATOM 829 CG2 VAL A 88 1.429 -31.728 -9.626 1.00 31.64 C ATOM 830 H VAL A 88 0.765 -29.571 -6.863 1.00 0.00 H ATOM 831 N ILE A 89 -2.581 -29.585 -8.919 1.00 22.07 N ATOM 832 CA ILE A 89 -3.952 -29.571 -8.456 1.00 22.88 C ATOM 833 C ILE A 89 -4.829 -30.289 -9.461 1.00 23.76 C ATOM 834 O ILE A 89 -4.453 -30.480 -10.624 1.00 23.12 O ATOM 835 CB ILE A 89 -4.476 -28.133 -8.237 1.00 25.79 C ATOM 836 CG1 ILE A 89 -4.436 -27.336 -9.546 1.00 26.72 C ATOM 837 CG2 ILE A 89 -3.659 -27.437 -7.147 1.00 26.96 C ATOM 838 CD1 ILE A 89 -5.103 -25.986 -9.461 1.00 26.83 C ATOM 839 H ILE A 89 -2.374 -29.360 -9.913 1.00 0.00 H ATOM 840 N THR A 90 -5.993 -30.702 -8.984 1.00 21.40 N ATOM 841 CA THR A 90 -7.057 -31.173 -9.838 1.00 21.80 C ATOM 842 C THR A 90 -8.045 -30.021 -9.975 1.00 23.98 C ATOM 843 O THR A 90 -8.505 -29.467 -8.974 1.00 27.57 O ATOM 844 CB THR A 90 -7.733 -32.428 -9.256 1.00 21.02 C ATOM 845 OG1 THR A 90 -6.753 -33.467 -9.096 1.00 22.88 O ATOM 846 CG2 THR A 90 -8.852 -32.917 -10.162 1.00 18.91 C ATOM 847 HG1 THR A 90 -7.187 -34.274 -8.722 1.00 0.00 H ATOM 848 H THR A 90 -6.146 -30.686 -7.955 1.00 0.00 H ATOM 849 N LEU A 91 -8.316 -29.622 -11.213 1.00 20.86 N ATOM 850 CA LEU A 91 -9.325 -28.610 -11.490 1.00 19.18 C ATOM 851 C LEU A 91 -10.648 -29.323 -11.704 1.00 20.20 C ATOM 852 O LEU A 91 -10.846 -29.980 -12.728 1.00 20.53 O ATOM 853 CB LEU A 91 -8.948 -27.775 -12.717 1.00 17.73 C ATOM 854 CG LEU A 91 -9.852 -26.578 -13.023 1.00 16.92 C ATOM 855 CD1 LEU A 91 -9.713 -25.511 -11.948 1.00 17.34 C ATOM 856 CD2 LEU A 91 -9.530 -26.002 -14.389 1.00 16.02 C ATOM 857 H LEU A 91 -7.793 -30.044 -12.006 1.00 0.00 H ATOM 858 N ALA A 92 -11.538 -29.214 -10.723 1.00 20.87 N ATOM 859 CA ALA A 92 -12.810 -29.932 -10.755 1.00 24.10 C ATOM 860 C ALA A 92 -13.629 -29.555 -11.981 1.00 22.50 C ATOM 861 O ALA A 92 -13.623 -28.398 -12.421 1.00 19.84 O ATOM 862 CB ALA A 92 -13.605 -29.656 -9.486 1.00 26.91 C ATOM 863 H ALA A 92 -11.323 -28.601 -9.911 1.00 0.00 H ATOM 864 N SER A 93 -14.327 -30.547 -12.524 1.00 22.82 N ATOM 865 CA SER A 93 -15.169 -30.363 -13.696 1.00 26.70 C ATOM 866 C SER A 93 -16.170 -29.234 -13.489 1.00 26.95 C ATOM 867 O SER A 93 -16.755 -29.105 -12.417 1.00 29.65 O ATOM 868 CB SER A 93 -15.914 -31.655 -14.022 1.00 30.06 C ATOM 869 OG SER A 93 -16.729 -31.485 -15.163 1.00 33.32 O ATOM 870 HG SER A 93 -16.164 -31.236 -15.937 1.00 0.00 H ATOM 871 H SER A 93 -14.269 -31.492 -12.094 1.00 0.00 H ATOM 872 N SER A 94 -16.377 -28.429 -14.524 1.00 24.25 N ATOM 873 CA SER A 94 -17.267 -27.284 -14.419 1.00 22.74 C ATOM 874 C SER A 94 -17.637 -26.732 -15.791 1.00 24.34 C ATOM 875 O SER A 94 -16.919 -26.945 -16.773 1.00 23.78 O ATOM 876 CB SER A 94 -16.609 -26.186 -13.575 1.00 20.63 C ATOM 877 OG SER A 94 -17.482 -25.083 -13.390 1.00 19.16 O ATOM 878 HG SER A 94 -17.721 -24.702 -14.272 1.00 0.00 H ATOM 879 H SER A 94 -15.894 -28.621 -15.425 1.00 0.00 H ATOM 880 N LYS A 95 -18.769 -26.035 -15.846 1.00 23.09 N ATOM 881 CA LYS A 95 -19.121 -25.220 -17.000 1.00 21.84 C ATOM 882 C LYS A 95 -18.563 -23.822 -16.783 1.00 19.82 C ATOM 883 O LYS A 95 -18.299 -23.436 -15.646 1.00 19.63 O ATOM 884 CB LYS A 95 -20.635 -25.169 -17.205 1.00 24.60 C ATOM 885 CG LYS A 95 -21.265 -26.520 -17.448 1.00 30.95 C ATOM 886 CD LYS A 95 -22.668 -26.378 -18.008 1.00 40.44 C ATOM 887 CE LYS A 95 -23.357 -27.728 -18.133 1.00 49.86 C ATOM 888 NZ LYS A 95 -24.660 -27.630 -18.845 1.00 55.85 N ATOM 889 HZ1 LYS A 95 -25.292 -26.991 -18.322 1.00 0.00 H ATOM 890 HZ2 LYS A 95 -24.503 -27.257 -19.803 1.00 0.00 H ATOM 891 HZ3 LYS A 95 -25.092 -28.574 -18.906 1.00 0.00 H ATOM 892 H LYS A 95 -19.423 -26.074 -15.039 1.00 0.00 H ATOM 893 N TYR A 96 -18.385 -23.071 -17.868 1.00 19.69 N ATOM 894 CA TYR A 96 -17.757 -21.754 -17.804 1.00 21.75 C ATOM 895 C TYR A 96 -18.406 -20.749 -18.743 1.00 23.26 C ATOM 896 O TYR A 96 -18.893 -21.111 -19.812 1.00 24.85 O ATOM 897 CB TYR A 96 -16.269 -21.834 -18.166 1.00 22.65 C ATOM 898 CG TYR A 96 -15.390 -22.580 -17.192 1.00 21.28 C ATOM 899 CD1 TYR A 96 -15.222 -23.951 -17.287 1.00 19.53 C ATOM 900 CD2 TYR A 96 -14.699 -21.905 -16.197 1.00 20.29 C ATOM 901 CE1 TYR A 96 -14.405 -24.635 -16.401 1.00 19.94 C ATOM 902 CE2 TYR A 96 -13.878 -22.580 -15.312 1.00 19.62 C ATOM 903 CZ TYR A 96 -13.734 -23.939 -15.416 1.00 20.10 C ATOM 904 OH TYR A 96 -12.913 -24.600 -14.526 1.00 19.64 O ATOM 905 HH TYR A 96 -12.916 -25.568 -14.733 1.00 0.00 H ATOM 906 H TYR A 96 -18.703 -23.433 -18.789 1.00 0.00 H ATOM 907 N MET A 97 -18.403 -19.485 -18.332 1.00 22.13 N ATOM 908 CA MET A 97 -18.546 -18.373 -19.262 1.00 22.92 C ATOM 909 C MET A 97 -17.140 -17.985 -19.694 1.00 23.45 C ATOM 910 O MET A 97 -16.309 -17.636 -18.851 1.00 23.76 O ATOM 911 CB MET A 97 -19.250 -17.178 -18.621 1.00 23.18 C ATOM 912 CG MET A 97 -20.634 -17.467 -18.064 1.00 25.08 C ATOM 913 SD MET A 97 -21.285 -16.051 -17.146 1.00 38.06 S ATOM 914 CE MET A 97 -22.347 -15.289 -18.360 1.00 56.57 C ATOM 915 H MET A 97 -18.295 -19.284 -17.317 1.00 0.00 H ATOM 916 N VAL A 98 -16.864 -18.061 -20.991 1.00 23.58 N ATOM 917 CA VAL A 98 -15.523 -17.777 -21.496 1.00 23.76 C ATOM 918 C VAL A 98 -15.526 -16.460 -22.268 1.00 25.03 C ATOM 919 O VAL A 98 -16.206 -16.320 -23.289 1.00 26.35 O ATOM 920 CB VAL A 98 -15.005 -18.918 -22.386 1.00 22.87 C ATOM 921 CG1 VAL A 98 -13.568 -18.647 -22.829 1.00 22.34 C ATOM 922 CG2 VAL A 98 -15.078 -20.243 -21.638 1.00 23.62 C ATOM 923 H VAL A 98 -17.616 -18.327 -21.659 1.00 0.00 H ATOM 924 N PHE A 99 -14.772 -15.495 -21.750 1.00 22.93 N ATOM 925 CA PHE A 99 -14.687 -14.165 -22.340 1.00 23.38 C ATOM 926 C PHE A 99 -13.364 -14.008 -23.079 1.00 26.17 C ATOM 927 O PHE A 99 -12.402 -14.728 -22.804 1.00 27.69 O ATOM 928 CB PHE A 99 -14.822 -13.085 -21.258 1.00 23.42 C ATOM 929 CG PHE A 99 -16.076 -13.203 -20.427 1.00 23.99 C ATOM 930 CD1 PHE A 99 -16.127 -14.061 -19.339 1.00 22.03 C ATOM 931 CD2 PHE A 99 -17.199 -12.450 -20.729 1.00 26.56 C ATOM 932 CE1 PHE A 99 -17.279 -14.174 -18.573 1.00 21.53 C ATOM 933 CE2 PHE A 99 -18.353 -12.556 -19.967 1.00 25.99 C ATOM 934 CZ PHE A 99 -18.391 -13.420 -18.888 1.00 22.41 C ATOM 935 H PHE A 99 -14.222 -15.697 -20.891 1.00 0.00 H ATOM 936 N GLU A 100 -13.325 -13.063 -24.014 1.00 26.77 N ATOM 937 CA GLU A 100 -12.118 -12.778 -24.774 1.00 28.23 C ATOM 938 C GLU A 100 -11.643 -11.357 -24.527 1.00 26.48 C ATOM 939 O GLU A 100 -12.417 -10.402 -24.631 1.00 26.32 O ATOM 940 CB GLU A 100 -12.354 -12.992 -26.271 1.00 30.22 C ATOM 941 CG GLU A 100 -12.351 -14.451 -26.686 1.00 30.37 C ATOM 942 CD GLU A 100 -12.417 -14.632 -28.190 1.00 34.13 C ATOM 943 OE1 GLU A 100 -12.654 -13.635 -28.901 1.00 39.08 O ATOM 944 OE2 GLU A 100 -12.230 -15.770 -28.662 1.00 31.58 O ATOM 945 H GLU A 100 -14.184 -12.510 -24.208 1.00 0.00 H ATOM 946 N ALA A 101 -10.366 -11.238 -24.183 1.00 24.40 N ATOM 947 CA ALA A 101 -9.701 -9.950 -24.067 1.00 25.29 C ATOM 948 C ALA A 101 -8.704 -9.819 -25.202 1.00 28.34 C ATOM 949 O ALA A 101 -7.684 -10.505 -25.208 1.00 31.23 O ATOM 950 CB ALA A 101 -8.997 -9.819 -22.723 1.00 23.99 C ATOM 951 H ALA A 101 -9.819 -12.101 -23.989 1.00 0.00 H ATOM 952 N GLN A 102 -9.001 -8.953 -26.166 1.00 28.99 N ATOM 953 CA GLN A 102 -8.102 -8.742 -27.294 1.00 30.72 C ATOM 954 C GLN A 102 -7.278 -7.474 -27.108 1.00 29.51 C ATOM 955 O GLN A 102 -7.822 -6.395 -26.882 1.00 31.98 O ATOM 956 CB GLN A 102 -8.882 -8.668 -28.609 1.00 34.11 C ATOM 957 CG GLN A 102 -7.984 -8.585 -29.838 1.00 35.25 C ATOM 958 CD GLN A 102 -8.728 -8.862 -31.130 1.00 35.48 C ATOM 959 OE1 GLN A 102 -9.852 -8.396 -31.328 1.00 34.87 O ATOM 960 NE2 GLN A 102 -8.104 -9.631 -32.016 1.00 35.87 N ATOM 961 HE22 GLN A 102 -7.155 -10.002 -31.806 1.00 0.00 H ATOM 962 HE21 GLN A 102 -8.564 -9.862 -32.920 1.00 0.00 H ATOM 963 H GLN A 102 -9.890 -8.417 -26.114 1.00 0.00 H ATOM 964 N GLY A 103 -5.962 -7.618 -27.202 1.00 26.36 N ATOM 965 CA GLY A 103 -5.056 -6.491 -27.079 1.00 25.64 C ATOM 966 C GLY A 103 -3.777 -6.899 -26.382 1.00 27.81 C ATOM 967 O GLY A 103 -3.617 -8.054 -25.980 1.00 24.91 O ATOM 968 H GLY A 103 -5.569 -8.566 -27.369 1.00 0.00 H ATOM 969 N ALA A 104 -2.864 -5.946 -26.231 1.00 32.95 N ATOM 970 CA ALA A 104 -1.582 -6.215 -25.596 1.00 36.08 C ATOM 971 C ALA A 104 -1.769 -6.580 -24.126 1.00 37.67 C ATOM 972 O ALA A 104 -2.508 -5.916 -23.399 1.00 40.00 O ATOM 973 CB ALA A 104 -0.662 -5.009 -25.732 1.00 37.17 C ATOM 974 H ALA A 104 -3.070 -4.986 -26.574 1.00 0.00 H ATOM 975 N VAL A 105 -1.106 -7.654 -23.709 1.00 35.57 N ATOM 976 CA VAL A 105 -1.084 -8.078 -22.313 1.00 33.60 C ATOM 977 C VAL A 105 -0.107 -7.175 -21.551 1.00 36.42 C ATOM 978 O VAL A 105 0.923 -6.790 -22.101 1.00 37.46 O ATOM 979 CB VAL A 105 -0.667 -9.567 -22.203 1.00 53.67 C ATOM 980 CG1 VAL A 105 -0.574 -10.027 -20.757 1.00 53.05 C ATOM 981 CG2 VAL A 105 -1.644 -10.446 -22.971 1.00 53.08 C ATOM 982 H VAL A 105 -0.580 -8.216 -24.408 1.00 0.00 H ATOM 983 N PRO A 106 -0.418 -6.823 -20.288 1.00 38.84 N ATOM 984 CA PRO A 106 -1.574 -7.183 -19.460 1.00 37.75 C ATOM 985 C PRO A 106 -2.739 -6.200 -19.524 1.00 34.23 C ATOM 986 O PRO A 106 -3.830 -6.534 -19.064 1.00 33.97 O ATOM 987 CB PRO A 106 -0.980 -7.193 -18.055 1.00 39.04 C ATOM 988 CG PRO A 106 0.018 -6.091 -18.096 1.00 39.71 C ATOM 989 CD PRO A 106 0.580 -6.076 -19.502 1.00 39.98 C ATOM 990 N LYS A 107 -2.506 -5.012 -20.072 1.00 30.11 N ATOM 991 CA LYS A 107 -3.499 -3.941 -20.056 1.00 32.66 C ATOM 992 C LYS A 107 -4.874 -4.383 -20.562 1.00 33.77 C ATOM 993 O LYS A 107 -5.897 -4.091 -19.934 1.00 34.14 O ATOM 994 CB LYS A 107 -3.002 -2.758 -20.888 1.00 37.10 C ATOM 995 CG LYS A 107 -4.032 -1.655 -21.068 1.00 43.76 C ATOM 996 CD LYS A 107 -3.374 -0.314 -21.371 1.00 49.65 C ATOM 997 CE LYS A 107 -4.054 0.394 -22.534 1.00 53.68 C ATOM 998 NZ LYS A 107 -3.828 1.868 -22.509 1.00 57.19 N ATOM 999 HZ1 LYS A 107 -4.209 2.261 -21.625 1.00 0.00 H ATOM 1000 HZ2 LYS A 107 -2.808 2.062 -22.565 1.00 0.00 H ATOM 1001 HZ3 LYS A 107 -4.310 2.305 -23.320 1.00 0.00 H ATOM 1002 H LYS A 107 -1.587 -4.839 -20.527 1.00 0.00 H ATOM 1003 N ALA A 108 -4.896 -5.090 -21.689 1.00 33.10 N ATOM 1004 CA ALA A 108 -6.151 -5.541 -22.280 1.00 31.25 C ATOM 1005 C ALA A 108 -6.871 -6.517 -21.353 1.00 28.73 C ATOM 1006 O ALA A 108 -8.099 -6.505 -21.253 1.00 26.68 O ATOM 1007 CB ALA A 108 -5.897 -6.186 -23.637 1.00 31.18 C ATOM 1008 H ALA A 108 -3.999 -5.326 -22.159 1.00 0.00 H ATOM 1009 N VAL A 109 -6.101 -7.358 -20.671 1.00 30.18 N ATOM 1010 CA VAL A 109 -6.675 -8.354 -19.773 1.00 30.17 C ATOM 1011 C VAL A 109 -7.238 -7.675 -18.526 1.00 28.83 C ATOM 1012 O VAL A 109 -8.338 -8.000 -18.071 1.00 29.24 O ATOM 1013 CB VAL A 109 -5.634 -9.415 -19.366 1.00 30.04 C ATOM 1014 CG1 VAL A 109 -6.265 -10.475 -18.470 1.00 27.65 C ATOM 1015 CG2 VAL A 109 -5.036 -10.064 -20.604 1.00 32.22 C ATOM 1016 H VAL A 109 -5.068 -7.305 -20.780 1.00 0.00 H ATOM 1017 N GLN A 110 -6.481 -6.727 -17.985 1.00 28.56 N ATOM 1018 CA GLN A 110 -6.923 -5.956 -16.825 1.00 31.85 C ATOM 1019 C GLN A 110 -8.231 -5.229 -17.108 1.00 29.93 C ATOM 1020 O GLN A 110 -9.147 -5.232 -16.286 1.00 30.39 O ATOM 1021 CB GLN A 110 -5.846 -4.949 -16.414 1.00 41.35 C ATOM 1022 CG GLN A 110 -4.896 -5.469 -15.339 1.00 49.59 C ATOM 1023 CD GLN A 110 -3.464 -4.974 -15.501 1.00 55.20 C ATOM 1024 OE1 GLN A 110 -2.518 -5.661 -15.115 1.00 53.48 O ATOM 1025 NE2 GLN A 110 -3.298 -3.782 -16.064 1.00 59.95 N ATOM 1026 HE22 GLN A 110 -4.125 -3.234 -16.376 1.00 0.00 H ATOM 1027 HE21 GLN A 110 -2.341 -3.396 -16.193 1.00 0.00 H ATOM 1028 H GLN A 110 -5.548 -6.528 -18.399 1.00 0.00 H ATOM 1029 N GLN A 111 -8.321 -4.606 -18.274 1.00 30.84 N ATOM 1030 CA GLN A 111 -9.520 -3.861 -18.632 1.00 34.70 C ATOM 1031 C GLN A 111 -10.709 -4.800 -18.834 1.00 29.57 C ATOM 1032 O GLN A 111 -11.823 -4.498 -18.403 1.00 30.39 O ATOM 1033 CB GLN A 111 -9.273 -3.028 -19.888 1.00 45.15 C ATOM 1034 CG GLN A 111 -8.339 -1.850 -19.653 1.00 58.45 C ATOM 1035 CD GLN A 111 -7.957 -1.136 -20.935 1.00 71.68 C ATOM 1036 OE1 GLN A 111 -8.403 -1.504 -22.023 1.00 73.52 O ATOM 1037 NE2 GLN A 111 -7.121 -0.110 -20.813 1.00 79.17 N ATOM 1038 HE22 GLN A 111 -6.770 0.166 -19.874 1.00 0.00 H ATOM 1039 HE21 GLN A 111 -6.818 0.417 -21.657 1.00 0.00 H ATOM 1040 H GLN A 111 -7.525 -4.650 -18.942 1.00 0.00 H ATOM 1041 N LYS A 112 -10.474 -5.937 -19.482 1.00 26.16 N ATOM 1042 CA LYS A 112 -11.546 -6.899 -19.723 1.00 28.72 C ATOM 1043 C LYS A 112 -12.018 -7.519 -18.410 1.00 26.73 C ATOM 1044 O LYS A 112 -13.212 -7.745 -18.217 1.00 24.66 O ATOM 1045 CB LYS A 112 -11.086 -7.987 -20.697 1.00 35.65 C ATOM 1046 CG LYS A 112 -12.111 -9.091 -20.949 1.00 41.37 C ATOM 1047 CD LYS A 112 -13.454 -8.559 -21.446 1.00 47.64 C ATOM 1048 CE LYS A 112 -13.330 -7.845 -22.780 1.00 53.03 C ATOM 1049 NZ LYS A 112 -14.623 -7.846 -23.524 1.00 56.22 N ATOM 1050 HZ1 LYS A 112 -14.919 -8.827 -23.702 1.00 0.00 H ATOM 1051 HZ2 LYS A 112 -15.348 -7.362 -22.957 1.00 0.00 H ATOM 1052 HZ3 LYS A 112 -14.501 -7.350 -24.430 1.00 0.00 H ATOM 1053 H LYS A 112 -9.513 -6.144 -19.822 1.00 0.00 H ATOM 1054 N MET A 113 -11.077 -7.791 -17.509 1.00 28.99 N ATOM 1055 CA MET A 113 -11.413 -8.321 -16.187 1.00 32.18 C ATOM 1056 C MET A 113 -12.375 -7.398 -15.444 1.00 32.82 C ATOM 1057 O MET A 113 -13.321 -7.861 -14.807 1.00 32.27 O ATOM 1058 CB MET A 113 -10.149 -8.523 -15.352 1.00 36.22 C ATOM 1059 CG MET A 113 -9.535 -9.905 -15.478 1.00 39.30 C ATOM 1060 SD MET A 113 -10.548 -11.209 -14.740 1.00 43.14 S ATOM 1061 CE MET A 113 -9.377 -12.563 -14.716 1.00 67.63 C ATOM 1062 H MET A 113 -10.079 -7.623 -17.750 1.00 0.00 H ATOM 1063 N GLU A 114 -12.124 -6.093 -15.526 1.00 33.65 N ATOM 1064 CA GLU A 114 -12.986 -5.105 -14.885 1.00 38.82 C ATOM 1065 C GLU A 114 -14.395 -5.169 -15.466 1.00 32.73 C ATOM 1066 O GLU A 114 -15.385 -5.083 -14.739 1.00 31.23 O ATOM 1067 CB GLU A 114 -12.408 -3.697 -15.056 1.00 53.53 C ATOM 1068 CG GLU A 114 -11.124 -3.450 -14.275 1.00 65.51 C ATOM 1069 CD GLU A 114 -10.447 -2.141 -14.650 1.00 74.04 C ATOM 1070 OE1 GLU A 114 -11.046 -1.351 -15.411 1.00 74.15 O ATOM 1071 OE2 GLU A 114 -9.311 -1.905 -14.186 1.00 78.23 O ATOM 1072 H GLU A 114 -11.293 -5.769 -16.060 1.00 0.00 H ATOM 1073 N GLU A 115 -14.475 -5.329 -16.782 1.00 30.51 N ATOM 1074 CA GLU A 115 -15.757 -5.408 -17.468 1.00 32.10 C ATOM 1075 C GLU A 115 -16.479 -6.707 -17.112 1.00 26.62 C ATOM 1076 O GLU A 115 -17.678 -6.699 -16.828 1.00 23.59 O ATOM 1077 CB GLU A 115 -15.552 -5.298 -18.979 1.00 41.13 C ATOM 1078 CG GLU A 115 -14.969 -3.963 -19.419 1.00 52.68 C ATOM 1079 CD GLU A 115 -14.717 -3.895 -20.911 1.00 61.41 C ATOM 1080 OE1 GLU A 115 -15.053 -4.870 -21.618 1.00 60.65 O ATOM 1081 OE2 GLU A 115 -14.183 -2.866 -21.376 1.00 68.07 O ATOM 1082 H GLU A 115 -13.599 -5.400 -17.337 1.00 0.00 H ATOM 1083 N VAL A 116 -15.743 -7.816 -17.124 1.00 26.41 N ATOM 1084 CA VAL A 116 -16.292 -9.108 -16.724 1.00 27.80 C ATOM 1085 C VAL A 116 -16.825 -9.025 -15.300 1.00 28.29 C ATOM 1086 O VAL A 116 -17.914 -9.518 -15.004 1.00 29.95 O ATOM 1087 CB VAL A 116 -15.230 -10.233 -16.820 1.00 28.27 C ATOM 1088 CG1 VAL A 116 -15.706 -11.511 -16.129 1.00 30.53 C ATOM 1089 CG2 VAL A 116 -14.907 -10.520 -18.268 1.00 27.81 C ATOM 1090 H VAL A 116 -14.750 -7.760 -17.427 1.00 0.00 H ATOM 1091 N HIS A 117 -16.045 -8.392 -14.430 1.00 29.06 N ATOM 1092 CA HIS A 117 -16.395 -8.235 -13.025 1.00 31.14 C ATOM 1093 C HIS A 117 -17.755 -7.566 -12.884 1.00 31.75 C ATOM 1094 O HIS A 117 -18.641 -8.067 -12.189 1.00 33.51 O ATOM 1095 CB HIS A 117 -15.316 -7.418 -12.310 1.00 38.65 C ATOM 1096 CG HIS A 117 -15.557 -7.236 -10.845 1.00 48.62 C ATOM 1097 ND1 HIS A 117 -15.272 -8.214 -9.917 1.00 50.63 N ATOM 1098 CD2 HIS A 117 -16.042 -6.183 -10.145 1.00 54.68 C ATOM 1099 CE1 HIS A 117 -15.579 -7.775 -8.710 1.00 53.27 C ATOM 1100 NE2 HIS A 117 -16.049 -6.545 -8.820 1.00 55.72 N ATOM 1101 H HIS A 117 -15.146 -7.992 -14.767 1.00 0.00 H ATOM 1102 N HIS A 118 -17.921 -6.440 -13.565 1.00 31.40 N ATOM 1103 CA HIS A 118 -19.179 -5.712 -13.530 1.00 32.63 C ATOM 1104 C HIS A 118 -20.302 -6.535 -14.156 1.00 33.31 C ATOM 1105 O HIS A 118 -21.438 -6.496 -13.692 1.00 33.95 O ATOM 1106 CB HIS A 118 -19.035 -4.374 -14.255 1.00 37.09 C ATOM 1107 CG HIS A 118 -20.275 -3.537 -14.231 1.00 46.81 C ATOM 1108 ND1 HIS A 118 -20.661 -2.810 -13.125 1.00 53.64 N ATOM 1109 CD2 HIS A 118 -21.215 -3.307 -15.178 1.00 51.87 C ATOM 1110 CE1 HIS A 118 -21.786 -2.170 -13.392 1.00 57.57 C ATOM 1111 NE2 HIS A 118 -22.143 -2.454 -14.631 1.00 56.52 N ATOM 1112 H HIS A 118 -17.135 -6.070 -14.136 1.00 0.00 H ATOM 1113 N TYR A 119 -19.981 -7.290 -15.202 1.00 33.66 N ATOM 1114 CA TYR A 119 -20.996 -8.042 -15.934 1.00 35.38 C ATOM 1115 C TYR A 119 -21.605 -9.181 -15.111 1.00 31.88 C ATOM 1116 O TYR A 119 -22.822 -9.363 -15.102 1.00 31.11 O ATOM 1117 CB TYR A 119 -20.405 -8.611 -17.225 1.00 35.61 C ATOM 1118 CG TYR A 119 -21.392 -9.417 -18.041 1.00 32.98 C ATOM 1119 CD1 TYR A 119 -22.363 -8.789 -18.807 1.00 31.65 C ATOM 1120 CD2 TYR A 119 -21.350 -10.805 -18.048 1.00 32.69 C ATOM 1121 CE1 TYR A 119 -23.269 -9.521 -19.554 1.00 32.26 C ATOM 1122 CE2 TYR A 119 -22.252 -11.547 -18.796 1.00 32.80 C ATOM 1123 CZ TYR A 119 -23.208 -10.898 -19.546 1.00 32.73 C ATOM 1124 OH TYR A 119 -24.110 -11.624 -20.290 1.00 33.95 O ATOM 1125 HH TYR A 119 -24.634 -12.211 -19.690 1.00 0.00 H ATOM 1126 H TYR A 119 -18.988 -7.346 -15.505 1.00 0.00 H ATOM 1127 N ILE A 120 -20.763 -9.947 -14.426 1.00 30.03 N ATOM 1128 CA ILE A 120 -21.233 -11.132 -13.709 1.00 31.88 C ATOM 1129 C ILE A 120 -21.907 -10.791 -12.379 1.00 33.87 C ATOM 1130 O ILE A 120 -22.392 -11.681 -11.681 1.00 38.47 O ATOM 1131 CB ILE A 120 -20.082 -12.120 -13.442 1.00 32.27 C ATOM 1132 CG1 ILE A 120 -18.999 -11.461 -12.584 1.00 31.06 C ATOM 1133 CG2 ILE A 120 -19.529 -12.638 -14.762 1.00 34.78 C ATOM 1134 CD1 ILE A 120 -17.784 -12.321 -12.369 1.00 30.55 C ATOM 1135 H ILE A 120 -19.753 -9.700 -14.399 1.00 0.00 H ATOM 1136 N HIS A 121 -21.930 -9.506 -12.032 1.00 31.79 N ATOM 1137 CA HIS A 121 -22.680 -9.025 -10.871 1.00 33.33 C ATOM 1138 C HIS A 121 -24.148 -9.421 -10.949 1.00 30.42 C ATOM 1139 O HIS A 121 -24.822 -9.550 -9.928 1.00 27.59 O ATOM 1140 CB HIS A 121 -22.598 -7.500 -10.762 1.00 43.38 C ATOM 1141 CG HIS A 121 -21.631 -7.005 -9.735 1.00 54.35 C ATOM 1142 ND1 HIS A 121 -21.996 -6.772 -8.427 1.00 61.49 N ATOM 1143 CD2 HIS A 121 -20.323 -6.669 -9.827 1.00 59.37 C ATOM 1144 CE1 HIS A 121 -20.951 -6.325 -7.755 1.00 65.48 C ATOM 1145 NE2 HIS A 121 -19.922 -6.257 -8.580 1.00 64.04 N ATOM 1146 H HIS A 121 -21.397 -8.821 -12.605 1.00 0.00 H ATOM 1147 N GLN A 122 -24.640 -9.573 -12.175 1.00 30.34 N ATOM 1148 CA GLN A 122 -26.052 -9.842 -12.424 1.00 29.38 C ATOM 1149 C GLN A 122 -26.340 -11.335 -12.477 1.00 23.69 C ATOM 1150 O GLN A 122 -27.456 -11.745 -12.810 1.00 24.27 O ATOM 1151 CB GLN A 122 -26.489 -9.200 -13.741 1.00 35.04 C ATOM 1152 CG GLN A 122 -25.988 -7.781 -13.958 1.00 42.82 C ATOM 1153 CD GLN A 122 -26.055 -7.372 -15.416 1.00 48.06 C ATOM 1154 OE1 GLN A 122 -26.936 -6.611 -15.819 1.00 56.99 O ATOM 1155 NE2 GLN A 122 -25.125 -7.884 -16.220 1.00 42.43 N ATOM 1156 HE22 GLN A 122 -24.400 -8.523 -15.836 1.00 0.00 H ATOM 1157 HE21 GLN A 122 -25.124 -7.645 -17.232 1.00 0.00 H ATOM 1158 H GLN A 122 -23.994 -9.497 -12.987 1.00 0.00 H ATOM 1159 N TYR A 123 -25.325 -12.139 -12.168 1.00 20.65 N ATOM 1160 CA TYR A 123 -25.438 -13.593 -12.192 1.00 22.27 C ATOM 1161 C TYR A 123 -25.019 -14.192 -10.847 1.00 22.20 C ATOM 1162 O TYR A 123 -24.296 -15.187 -10.798 1.00 21.97 O ATOM 1163 CB TYR A 123 -24.581 -14.169 -13.325 1.00 21.80 C ATOM 1164 CG TYR A 123 -25.036 -13.720 -14.699 1.00 24.55 C ATOM 1165 CD1 TYR A 123 -24.616 -12.507 -15.236 1.00 25.27 C ATOM 1166 CD2 TYR A 123 -25.895 -14.504 -15.455 1.00 26.32 C ATOM 1167 CE1 TYR A 123 -25.038 -12.094 -16.490 1.00 28.01 C ATOM 1168 CE2 TYR A 123 -26.322 -14.101 -16.706 1.00 29.47 C ATOM 1169 CZ TYR A 123 -25.892 -12.897 -17.219 1.00 30.46 C ATOM 1170 OH TYR A 123 -26.324 -12.505 -18.464 1.00 34.65 O ATOM 1171 HH TYR A 123 -26.041 -13.175 -19.136 1.00 0.00 H ATOM 1172 H TYR A 123 -24.415 -11.713 -11.899 1.00 0.00 H ATOM 1173 N GLN A 124 -25.498 -13.591 -9.761 1.00 22.83 N ATOM 1174 CA GLN A 124 -25.071 -13.973 -8.415 1.00 24.68 C ATOM 1175 C GLN A 124 -25.308 -15.453 -8.097 1.00 23.38 C ATOM 1176 O GLN A 124 -24.477 -16.095 -7.457 1.00 25.18 O ATOM 1177 CB GLN A 124 -25.786 -13.118 -7.365 1.00 31.28 C ATOM 1178 CG GLN A 124 -25.646 -11.616 -7.569 1.00 39.23 C ATOM 1179 CD GLN A 124 -26.834 -11.011 -8.297 1.00 42.64 C ATOM 1180 OE1 GLN A 124 -27.367 -11.600 -9.239 1.00 38.84 O ATOM 1181 NE2 GLN A 124 -27.256 -9.829 -7.859 1.00 47.84 N ATOM 1182 HE22 GLN A 124 -26.775 -9.369 -7.060 1.00 0.00 H ATOM 1183 HE21 GLN A 124 -28.067 -9.365 -8.315 1.00 0.00 H ATOM 1184 H GLN A 124 -26.196 -12.828 -9.872 1.00 0.00 H ATOM 1185 N ALA A 125 -26.444 -15.987 -8.537 1.00 20.11 N ATOM 1186 CA ALA A 125 -26.808 -17.366 -8.228 1.00 19.11 C ATOM 1187 C ALA A 125 -26.116 -18.378 -9.139 1.00 20.53 C ATOM 1188 O ALA A 125 -26.208 -19.585 -8.906 1.00 21.27 O ATOM 1189 CB ALA A 125 -28.307 -17.537 -8.320 1.00 18.35 C ATOM 1190 H ALA A 125 -27.087 -15.409 -9.114 1.00 0.00 H ATOM 1191 N ASN A 126 -25.423 -17.893 -10.167 1.00 18.06 N ATOM 1192 CA ASN A 126 -24.844 -18.778 -11.174 1.00 19.29 C ATOM 1193 C ASN A 126 -23.316 -18.847 -11.126 1.00 20.59 C ATOM 1194 O ASN A 126 -22.735 -19.856 -11.512 1.00 21.60 O ATOM 1195 CB ASN A 126 -25.293 -18.345 -12.571 1.00 17.69 C ATOM 1196 CG ASN A 126 -26.796 -18.407 -12.742 1.00 19.51 C ATOM 1197 OD1 ASN A 126 -27.426 -17.424 -13.128 1.00 19.91 O ATOM 1198 ND2 ASN A 126 -27.383 -19.565 -12.442 1.00 19.69 N ATOM 1199 HD22 ASN A 126 -26.810 -20.370 -12.119 1.00 0.00 H ATOM 1200 HD21 ASN A 126 -28.415 -19.663 -12.531 1.00 0.00 H ATOM 1201 H ASN A 126 -25.292 -16.865 -10.255 1.00 0.00 H ATOM 1202 N THR A 127 -22.662 -17.791 -10.659 1.00 22.14 N ATOM 1203 CA THR A 127 -21.211 -17.830 -10.525 1.00 22.20 C ATOM 1204 C THR A 127 -20.831 -18.748 -9.361 1.00 21.79 C ATOM 1205 O THR A 127 -21.674 -19.074 -8.526 1.00 21.52 O ATOM 1206 CB THR A 127 -20.617 -16.423 -10.320 1.00 23.87 C ATOM 1207 OG1 THR A 127 -21.391 -15.690 -9.366 1.00 21.86 O ATOM 1208 CG2 THR A 127 -20.600 -15.662 -11.641 1.00 26.06 C ATOM 1209 HG1 THR A 127 -22.321 -15.604 -9.694 1.00 0.00 H ATOM 1210 H THR A 127 -23.186 -16.934 -10.388 1.00 0.00 H ATOM 1211 N VAL A 128 -19.577 -19.191 -9.335 1.00 19.64 N ATOM 1212 CA VAL A 128 -19.096 -20.106 -8.297 1.00 19.63 C ATOM 1213 C VAL A 128 -17.852 -19.529 -7.623 1.00 21.39 C ATOM 1214 O VAL A 128 -16.723 -19.728 -8.081 1.00 20.06 O ATOM 1215 CB VAL A 128 -18.781 -21.498 -8.871 1.00 18.65 C ATOM 1216 CG1 VAL A 128 -18.601 -22.504 -7.742 1.00 15.53 C ATOM 1217 CG2 VAL A 128 -19.890 -21.954 -9.812 1.00 21.38 C ATOM 1218 H VAL A 128 -18.917 -18.878 -10.075 1.00 0.00 H ATOM 1219 N LYS A 129 -18.086 -18.821 -6.523 1.00 23.15 N ATOM 1220 CA LYS A 129 -17.062 -18.036 -5.844 1.00 23.95 C ATOM 1221 C LYS A 129 -15.951 -18.877 -5.228 1.00 19.17 C ATOM 1222 O LYS A 129 -14.864 -18.370 -4.949 1.00 18.09 O ATOM 1223 CB LYS A 129 -17.711 -17.193 -4.747 1.00 31.75 C ATOM 1224 CG LYS A 129 -18.428 -15.941 -5.246 1.00 43.16 C ATOM 1225 CD LYS A 129 -19.457 -15.426 -4.235 1.00 53.17 C ATOM 1226 CE LYS A 129 -18.899 -15.342 -2.814 1.00 57.57 C ATOM 1227 NZ LYS A 129 -19.081 -16.602 -2.028 1.00 57.62 N ATOM 1228 HZ1 LYS A 129 -20.095 -16.819 -1.953 1.00 0.00 H ATOM 1229 HZ2 LYS A 129 -18.593 -17.383 -2.510 1.00 0.00 H ATOM 1230 HZ3 LYS A 129 -18.681 -16.476 -1.076 1.00 0.00 H ATOM 1231 H LYS A 129 -19.048 -18.827 -6.127 1.00 0.00 H ATOM 1232 N SER A 130 -16.236 -20.154 -5.001 1.00 16.47 N ATOM 1233 CA SER A 130 -15.273 -21.053 -4.376 1.00 17.36 C ATOM 1234 C SER A 130 -14.423 -21.791 -5.406 1.00 18.73 C ATOM 1235 O SER A 130 -13.441 -22.449 -5.052 1.00 21.49 O ATOM 1236 CB SER A 130 -16.003 -22.066 -3.496 1.00 21.38 C ATOM 1237 OG SER A 130 -16.801 -22.924 -4.293 1.00 24.09 O ATOM 1238 HG SER A 130 -17.268 -23.574 -3.710 1.00 0.00 H ATOM 1239 H SER A 130 -17.169 -20.522 -5.276 1.00 0.00 H ATOM 1240 N ALA A 131 -14.810 -21.693 -6.675 1.00 16.50 N ATOM 1241 CA ALA A 131 -14.111 -22.388 -7.751 1.00 16.77 C ATOM 1242 C ALA A 131 -13.096 -21.466 -8.422 1.00 17.47 C ATOM 1243 O ALA A 131 -13.347 -20.274 -8.561 1.00 17.46 O ATOM 1244 CB ALA A 131 -15.100 -22.903 -8.772 1.00 16.80 C ATOM 1245 H ALA A 131 -15.635 -21.104 -6.907 1.00 0.00 H ATOM 1246 N PRO A 132 -11.947 -22.013 -8.854 1.00 17.06 N ATOM 1247 CA PRO A 132 -10.975 -21.142 -9.523 1.00 16.52 C ATOM 1248 C PRO A 132 -11.495 -20.580 -10.845 1.00 17.83 C ATOM 1249 O PRO A 132 -12.233 -21.266 -11.556 1.00 16.73 O ATOM 1250 CB PRO A 132 -9.776 -22.068 -9.770 1.00 15.03 C ATOM 1251 CG PRO A 132 -9.996 -23.256 -8.885 1.00 15.86 C ATOM 1252 CD PRO A 132 -11.470 -23.402 -8.765 1.00 17.64 C ATOM 1253 N PHE A 133 -11.127 -19.336 -11.145 1.00 19.59 N ATOM 1254 CA PHE A 133 -11.278 -18.782 -12.487 1.00 19.93 C ATOM 1255 C PHE A 133 -9.876 -18.539 -13.015 1.00 19.15 C ATOM 1256 O PHE A 133 -8.932 -18.429 -12.227 1.00 20.16 O ATOM 1257 CB PHE A 133 -12.118 -17.493 -12.493 1.00 18.96 C ATOM 1258 CG PHE A 133 -11.499 -16.333 -11.747 1.00 21.08 C ATOM 1259 CD1 PHE A 133 -10.548 -15.524 -12.351 1.00 20.97 C ATOM 1260 CD2 PHE A 133 -11.907 -16.025 -10.457 1.00 22.99 C ATOM 1261 CE1 PHE A 133 -9.992 -14.453 -11.671 1.00 22.10 C ATOM 1262 CE2 PHE A 133 -11.355 -14.954 -9.775 1.00 23.11 C ATOM 1263 CZ PHE A 133 -10.401 -14.166 -10.385 1.00 22.76 C ATOM 1264 H PHE A 133 -10.718 -18.739 -10.398 1.00 0.00 H ATOM 1265 N PHE A 134 -9.717 -18.485 -14.335 1.00 16.80 N ATOM 1266 CA PHE A 134 -8.378 -18.335 -14.885 1.00 18.27 C ATOM 1267 C PHE A 134 -8.307 -17.578 -16.199 1.00 22.15 C ATOM 1268 O PHE A 134 -9.287 -17.459 -16.938 1.00 23.19 O ATOM 1269 CB PHE A 134 -7.720 -19.712 -15.054 1.00 16.03 C ATOM 1270 CG PHE A 134 -8.475 -20.670 -15.944 1.00 16.23 C ATOM 1271 CD1 PHE A 134 -9.447 -21.506 -15.420 1.00 17.86 C ATOM 1272 CD2 PHE A 134 -8.170 -20.772 -17.291 1.00 16.30 C ATOM 1273 CE1 PHE A 134 -10.124 -22.401 -16.230 1.00 19.48 C ATOM 1274 CE2 PHE A 134 -8.842 -21.665 -18.106 1.00 17.18 C ATOM 1275 CZ PHE A 134 -9.821 -22.482 -17.575 1.00 19.05 C ATOM 1276 H PHE A 134 -10.541 -18.549 -14.967 1.00 0.00 H ATOM 1277 N GLU A 135 -7.120 -17.029 -16.435 1.00 24.79 N ATOM 1278 CA GLU A 135 -6.726 -16.508 -17.727 1.00 24.23 C ATOM 1279 C GLU A 135 -6.013 -17.630 -18.472 1.00 21.26 C ATOM 1280 O GLU A 135 -5.224 -18.366 -17.871 1.00 19.76 O ATOM 1281 CB GLU A 135 -5.802 -15.293 -17.578 1.00 23.35 C ATOM 1282 CG GLU A 135 -6.271 -14.236 -16.584 1.00 23.92 C ATOM 1283 CD GLU A 135 -5.133 -13.704 -15.727 1.00 29.37 C ATOM 1284 OE1 GLU A 135 -4.085 -13.324 -16.290 1.00 28.42 O ATOM 1285 OE2 GLU A 135 -5.278 -13.681 -14.486 1.00 34.67 O ATOM 1286 H GLU A 135 -6.439 -16.971 -15.651 1.00 0.00 H ATOM 1287 N LEU A 136 -6.295 -17.762 -19.767 1.00 20.34 N ATOM 1288 CA LEU A 136 -5.606 -18.728 -20.622 1.00 18.75 C ATOM 1289 C LEU A 136 -4.849 -17.994 -21.720 1.00 19.78 C ATOM 1290 O LEU A 136 -5.446 -17.253 -22.504 1.00 20.25 O ATOM 1291 CB LEU A 136 -6.594 -19.722 -21.236 1.00 19.28 C ATOM 1292 CG LEU A 136 -5.987 -20.797 -22.143 1.00 21.48 C ATOM 1293 CD1 LEU A 136 -5.105 -21.751 -21.351 1.00 24.05 C ATOM 1294 CD2 LEU A 136 -7.085 -21.561 -22.855 1.00 20.97 C ATOM 1295 H LEU A 136 -7.031 -17.157 -20.185 1.00 0.00 H ATOM 1296 N TYR A 137 -3.535 -18.210 -21.764 1.00 20.27 N ATOM 1297 CA TYR A 137 -2.653 -17.537 -22.717 1.00 21.84 C ATOM 1298 C TYR A 137 -2.132 -18.495 -23.772 1.00 22.18 C ATOM 1299 O TYR A 137 -1.230 -19.291 -23.508 1.00 21.51 O ATOM 1300 CB TYR A 137 -1.472 -16.891 -21.993 1.00 22.34 C ATOM 1301 CG TYR A 137 -1.875 -15.779 -21.066 1.00 24.34 C ATOM 1302 CD1 TYR A 137 -2.058 -14.489 -21.545 1.00 28.61 C ATOM 1303 CD2 TYR A 137 -2.078 -16.015 -19.714 1.00 23.12 C ATOM 1304 CE1 TYR A 137 -2.431 -13.467 -20.708 1.00 29.40 C ATOM 1305 CE2 TYR A 137 -2.453 -14.999 -18.866 1.00 23.96 C ATOM 1306 CZ TYR A 137 -2.629 -13.723 -19.370 1.00 26.87 C ATOM 1307 OH TYR A 137 -3.000 -12.691 -18.540 1.00 27.02 O ATOM 1308 HH TYR A 137 -3.872 -12.902 -18.122 1.00 0.00 H ATOM 1309 H TYR A 137 -3.119 -18.886 -21.092 1.00 0.00 H ATOM 1310 N GLN A 138 -2.715 -18.405 -24.963 1.00 23.02 N ATOM 1311 CA GLN A 138 -2.298 -19.198 -26.110 1.00 27.14 C ATOM 1312 C GLN A 138 -0.958 -18.709 -26.644 1.00 26.86 C ATOM 1313 O GLN A 138 -0.493 -17.630 -26.276 1.00 24.85 O ATOM 1314 CB GLN A 138 -3.349 -19.119 -27.219 1.00 34.28 C ATOM 1315 CG GLN A 138 -3.516 -17.706 -27.790 1.00 45.17 C ATOM 1316 CD GLN A 138 -4.487 -17.635 -28.957 1.00 53.59 C ATOM 1317 OE1 GLN A 138 -4.696 -18.617 -29.672 1.00 53.75 O ATOM 1318 NE2 GLN A 138 -5.084 -16.463 -29.157 1.00 58.27 N ATOM 1319 HE22 GLN A 138 -4.878 -15.660 -28.529 1.00 0.00 H ATOM 1320 HE21 GLN A 138 -5.757 -16.349 -29.942 1.00 0.00 H ATOM 1321 H GLN A 138 -3.504 -17.738 -25.081 1.00 0.00 H ATOM 1322 N ASP A 139 -0.350 -19.495 -27.526 1.00 36.76 N ATOM 1323 CA ASP A 139 0.865 -19.066 -28.211 1.00 45.28 C ATOM 1324 C ASP A 139 0.581 -17.812 -29.028 1.00 44.59 C ATOM 1325 O ASP A 139 -0.500 -17.668 -29.599 1.00 47.08 O ATOM 1326 CB ASP A 139 1.402 -20.173 -29.121 1.00 59.02 C ATOM 1327 CG ASP A 139 2.039 -21.310 -28.348 1.00 69.45 C ATOM 1328 OD1 ASP A 139 2.906 -21.042 -27.487 1.00 67.39 O ATOM 1329 OD2 ASP A 139 1.671 -22.476 -28.603 1.00 78.80 O ATOM 1330 H ASP A 139 -0.748 -20.434 -27.732 1.00 0.00 H ATOM 1331 N GLY A 140 1.552 -16.908 -29.078 1.00 40.30 N ATOM 1332 CA GLY A 140 1.411 -15.682 -29.841 1.00 38.47 C ATOM 1333 C GLY A 140 2.161 -14.526 -29.217 1.00 38.25 C ATOM 1334 O GLY A 140 2.641 -14.615 -28.085 1.00 37.99 O ATOM 1335 H GLY A 140 2.435 -17.083 -28.558 1.00 0.00 H ATOM 1336 N ASP A 141 2.259 -13.433 -29.964 1.00 40.69 N ATOM 1337 CA ASP A 141 2.911 -12.228 -29.479 1.00 44.03 C ATOM 1338 C ASP A 141 1.953 -11.473 -28.570 1.00 40.57 C ATOM 1339 O ASP A 141 1.015 -10.832 -29.040 1.00 37.81 O ATOM 1340 CB ASP A 141 3.357 -11.352 -30.653 1.00 50.12 C ATOM 1341 CG ASP A 141 3.930 -10.023 -30.210 1.00 50.80 C ATOM 1342 OD1 ASP A 141 4.364 -9.912 -29.044 1.00 45.38 O ATOM 1343 OD2 ASP A 141 3.953 -9.084 -31.033 1.00 55.33 O ATOM 1344 H ASP A 141 1.858 -13.439 -30.923 1.00 0.00 H ATOM 1345 N THR A 142 2.195 -11.553 -27.265 1.00 38.63 N ATOM 1346 CA THR A 142 1.308 -10.941 -26.282 1.00 36.52 C ATOM 1347 C THR A 142 1.380 -9.416 -26.280 1.00 36.12 C ATOM 1348 O THR A 142 0.656 -8.761 -25.528 1.00 33.79 O ATOM 1349 CB THR A 142 1.627 -11.437 -24.862 1.00 33.84 C ATOM 1350 OG1 THR A 142 3.005 -11.178 -24.562 1.00 36.54 O ATOM 1351 CG2 THR A 142 1.349 -12.925 -24.743 1.00 30.54 C ATOM 1352 HG1 THR A 142 3.578 -11.653 -25.214 1.00 0.00 H ATOM 1353 H THR A 142 3.039 -12.065 -26.937 1.00 0.00 H ATOM 1354 N THR A 143 2.260 -8.853 -27.105 1.00 39.30 N ATOM 1355 CA THR A 143 2.348 -7.404 -27.248 1.00 41.18 C ATOM 1356 C THR A 143 1.553 -6.928 -28.461 1.00 39.28 C ATOM 1357 O THR A 143 1.436 -5.727 -28.700 1.00 40.16 O ATOM 1358 CB THR A 143 3.807 -6.925 -27.388 1.00 44.53 C ATOM 1359 OG1 THR A 143 4.323 -7.309 -28.668 1.00 44.22 O ATOM 1360 CG2 THR A 143 4.677 -7.513 -26.283 1.00 46.54 C ATOM 1361 HG1 THR A 143 4.292 -8.295 -28.753 1.00 0.00 H ATOM 1362 H THR A 143 2.898 -9.459 -27.659 1.00 0.00 H ATOM 1363 N SER A 144 1.021 -7.873 -29.231 1.00 37.59 N ATOM 1364 CA SER A 144 0.193 -7.543 -30.388 1.00 38.21 C ATOM 1365 C SER A 144 -1.207 -7.129 -29.965 1.00 34.86 C ATOM 1366 O SER A 144 -1.823 -7.767 -29.112 1.00 33.16 O ATOM 1367 CB SER A 144 0.102 -8.731 -31.343 1.00 38.73 C ATOM 1368 OG SER A 144 -0.886 -8.507 -32.336 1.00 40.48 O ATOM 1369 HG SER A 144 -0.926 -9.289 -32.942 1.00 0.00 H ATOM 1370 H SER A 144 1.199 -8.872 -29.004 1.00 0.00 H ATOM 1371 N GLU A 145 -1.719 -6.069 -30.580 1.00 34.00 N ATOM 1372 CA GLU A 145 -3.054 -5.590 -30.255 1.00 38.46 C ATOM 1373 C GLU A 145 -4.125 -6.564 -30.741 1.00 29.23 C ATOM 1374 O GLU A 145 -5.296 -6.432 -30.386 1.00 27.88 O ATOM 1375 CB GLU A 145 -3.286 -4.198 -30.851 1.00 58.56 C ATOM 1376 CG GLU A 145 -2.532 -3.086 -30.125 1.00 76.17 C ATOM 1377 CD GLU A 145 -2.941 -2.946 -28.663 1.00 87.78 C ATOM 1378 OE1 GLU A 145 -4.047 -3.400 -28.300 1.00 92.67 O ATOM 1379 OE2 GLU A 145 -2.152 -2.385 -27.874 1.00 89.70 O ATOM 1380 H GLU A 145 -1.158 -5.575 -31.303 1.00 0.00 H ATOM 1381 N LYS A 146 -3.724 -7.555 -31.533 1.00 28.58 N ATOM 1382 CA LYS A 146 -4.657 -8.580 -31.992 1.00 28.21 C ATOM 1383 C LYS A 146 -4.619 -9.828 -31.109 1.00 27.11 C ATOM 1384 O LYS A 146 -5.425 -10.739 -31.289 1.00 28.55 O ATOM 1385 CB LYS A 146 -4.359 -8.956 -33.446 1.00 29.56 C ATOM 1386 CG LYS A 146 -4.426 -7.767 -34.394 1.00 32.30 C ATOM 1387 CD LYS A 146 -4.760 -8.177 -35.820 1.00 36.38 C ATOM 1388 CE LYS A 146 -3.578 -8.787 -36.543 1.00 38.49 C ATOM 1389 NZ LYS A 146 -3.521 -8.293 -37.951 1.00 42.28 N ATOM 1390 HZ1 LYS A 146 -4.396 -8.558 -38.446 1.00 0.00 H ATOM 1391 HZ2 LYS A 146 -3.422 -7.258 -37.950 1.00 0.00 H ATOM 1392 HZ3 LYS A 146 -2.705 -8.720 -38.434 1.00 0.00 H ATOM 1393 H LYS A 146 -2.728 -7.600 -31.830 1.00 0.00 H ATOM 1394 N TYR A 147 -3.697 -9.871 -30.151 1.00 27.00 N ATOM 1395 CA TYR A 147 -3.575 -11.045 -29.290 1.00 29.09 C ATOM 1396 C TYR A 147 -4.815 -11.226 -28.430 1.00 27.85 C ATOM 1397 O TYR A 147 -5.316 -10.265 -27.854 1.00 30.51 O ATOM 1398 CB TYR A 147 -2.352 -10.951 -28.380 1.00 31.52 C ATOM 1399 CG TYR A 147 -2.211 -12.164 -27.484 1.00 28.88 C ATOM 1400 CD1 TYR A 147 -1.689 -13.353 -27.977 1.00 31.49 C ATOM 1401 CD2 TYR A 147 -2.613 -12.127 -26.154 1.00 25.79 C ATOM 1402 CE1 TYR A 147 -1.563 -14.472 -27.172 1.00 29.90 C ATOM 1403 CE2 TYR A 147 -2.491 -13.243 -25.339 1.00 24.69 C ATOM 1404 CZ TYR A 147 -1.962 -14.413 -25.858 1.00 26.73 C ATOM 1405 OH TYR A 147 -1.832 -15.534 -25.070 1.00 23.97 O ATOM 1406 HH TYR A 147 -1.439 -16.268 -25.605 1.00 0.00 H ATOM 1407 H TYR A 147 -3.058 -9.062 -30.014 1.00 0.00 H ATOM 1408 N ILE A 148 -5.290 -12.464 -28.334 1.00 23.74 N ATOM 1409 CA ILE A 148 -6.477 -12.768 -27.548 1.00 23.74 C ATOM 1410 C ILE A 148 -6.124 -13.588 -26.318 1.00 21.61 C ATOM 1411 O ILE A 148 -5.546 -14.672 -26.423 1.00 22.95 O ATOM 1412 CB ILE A 148 -7.530 -13.526 -28.386 1.00 26.12 C ATOM 1413 CG1 ILE A 148 -8.049 -12.629 -29.514 1.00 29.90 C ATOM 1414 CG2 ILE A 148 -8.702 -13.974 -27.513 1.00 27.66 C ATOM 1415 CD1 ILE A 148 -8.917 -13.346 -30.534 1.00 31.60 C ATOM 1416 H ILE A 148 -4.801 -13.235 -28.833 1.00 0.00 H ATOM 1417 N THR A 149 -6.475 -13.048 -25.156 1.00 20.93 N ATOM 1418 CA THR A 149 -6.443 -13.784 -23.899 1.00 22.18 C ATOM 1419 C THR A 149 -7.864 -14.247 -23.579 1.00 23.25 C ATOM 1420 O THR A 149 -8.814 -13.485 -23.750 1.00 25.99 O ATOM 1421 CB THR A 149 -5.908 -12.917 -22.742 1.00 22.61 C ATOM 1422 OG1 THR A 149 -4.621 -12.390 -23.086 1.00 22.24 O ATOM 1423 CG2 THR A 149 -5.790 -13.730 -21.465 1.00 24.30 C ATOM 1424 HG1 THR A 149 -4.700 -11.835 -23.902 1.00 0.00 H ATOM 1425 H THR A 149 -6.786 -12.056 -25.143 1.00 0.00 H ATOM 1426 N GLU A 150 -8.015 -15.493 -23.136 1.00 22.32 N ATOM 1427 CA GLU A 150 -9.319 -15.985 -22.701 1.00 22.97 C ATOM 1428 C GLU A 150 -9.428 -15.910 -21.188 1.00 21.69 C ATOM 1429 O GLU A 150 -8.456 -16.162 -20.474 1.00 20.87 O ATOM 1430 CB GLU A 150 -9.559 -17.423 -23.172 1.00 23.97 C ATOM 1431 CG GLU A 150 -9.847 -17.553 -24.661 1.00 26.88 C ATOM 1432 CD GLU A 150 -10.035 -18.994 -25.094 1.00 29.29 C ATOM 1433 OE1 GLU A 150 -9.979 -19.889 -24.228 1.00 28.18 O ATOM 1434 OE2 GLU A 150 -10.235 -19.234 -26.301 1.00 33.29 O ATOM 1435 H GLU A 150 -7.191 -16.126 -23.099 1.00 0.00 H ATOM 1436 N ILE A 151 -10.619 -15.553 -20.716 1.00 22.36 N ATOM 1437 CA ILE A 151 -10.917 -15.481 -19.293 1.00 21.99 C ATOM 1438 C ILE A 151 -12.067 -16.433 -18.982 1.00 22.23 C ATOM 1439 O ILE A 151 -13.192 -16.240 -19.455 1.00 23.04 O ATOM 1440 CB ILE A 151 -11.282 -14.053 -18.865 1.00 23.04 C ATOM 1441 CG1 ILE A 151 -10.105 -13.109 -19.121 1.00 24.48 C ATOM 1442 CG2 ILE A 151 -11.668 -14.017 -17.390 1.00 22.93 C ATOM 1443 CD1 ILE A 151 -10.459 -11.640 -19.004 1.00 26.30 C ATOM 1444 H ILE A 151 -11.371 -15.315 -21.394 1.00 0.00 H ATOM 1445 N TRP A 152 -11.768 -17.459 -18.187 1.00 18.65 N ATOM 1446 CA TRP A 152 -12.721 -18.523 -17.877 1.00 17.54 C ATOM 1447 C TRP A 152 -13.327 -18.346 -16.492 1.00 21.43 C ATOM 1448 O TRP A 152 -12.629 -18.472 -15.487 1.00 23.25 O ATOM 1449 CB TRP A 152 -12.036 -19.889 -17.967 1.00 17.07 C ATOM 1450 CG TRP A 152 -11.652 -20.292 -19.350 1.00 17.40 C ATOM 1451 CD1 TRP A 152 -10.805 -19.633 -20.197 1.00 18.93 C ATOM 1452 CD2 TRP A 152 -12.087 -21.463 -20.050 1.00 19.49 C ATOM 1453 NE1 TRP A 152 -10.694 -20.321 -21.384 1.00 20.18 N ATOM 1454 CE2 TRP A 152 -11.472 -21.447 -21.317 1.00 20.14 C ATOM 1455 CE3 TRP A 152 -12.939 -22.525 -19.724 1.00 22.93 C ATOM 1456 CZ2 TRP A 152 -11.681 -22.449 -22.259 1.00 22.99 C ATOM 1457 CZ3 TRP A 152 -13.147 -23.518 -20.663 1.00 25.62 C ATOM 1458 CH2 TRP A 152 -12.521 -23.473 -21.915 1.00 25.77 C ATOM 1459 HE1 TRP A 152 -10.115 -20.033 -22.198 1.00 0.00 H ATOM 1460 H TRP A 152 -10.817 -17.505 -17.769 1.00 0.00 H ATOM 1461 N MET A 153 -14.626 -18.059 -16.453 1.00 20.40 N ATOM 1462 CA MET A 153 -15.367 -17.898 -15.202 1.00 20.74 C ATOM 1463 C MET A 153 -16.334 -19.067 -15.006 1.00 20.48 C ATOM 1464 O MET A 153 -17.222 -19.276 -15.829 1.00 19.35 O ATOM 1465 CB MET A 153 -16.142 -16.577 -15.202 1.00 23.93 C ATOM 1466 CG MET A 153 -15.260 -15.339 -15.274 1.00 27.82 C ATOM 1467 SD MET A 153 -14.385 -15.011 -13.727 1.00 33.25 S ATOM 1468 CE MET A 153 -13.070 -13.936 -14.283 1.00 60.21 C ATOM 1469 H MET A 153 -15.137 -17.944 -17.352 1.00 0.00 H ATOM 1470 N PRO A 154 -16.173 -19.830 -13.912 1.00 18.97 N ATOM 1471 CA PRO A 154 -17.036 -21.003 -13.727 1.00 21.55 C ATOM 1472 C PRO A 154 -18.472 -20.639 -13.360 1.00 24.51 C ATOM 1473 O PRO A 154 -18.696 -19.651 -12.662 1.00 24.02 O ATOM 1474 CB PRO A 154 -16.356 -21.761 -12.584 1.00 19.11 C ATOM 1475 CG PRO A 154 -15.629 -20.724 -11.818 1.00 17.60 C ATOM 1476 CD PRO A 154 -15.192 -19.691 -12.820 1.00 16.96 C ATOM 1477 N VAL A 155 -19.429 -21.437 -13.827 1.00 25.05 N ATOM 1478 CA VAL A 155 -20.833 -21.196 -13.519 1.00 23.60 C ATOM 1479 C VAL A 155 -21.599 -22.485 -13.261 1.00 23.57 C ATOM 1480 O VAL A 155 -21.186 -23.569 -13.679 1.00 26.65 O ATOM 1481 CB VAL A 155 -21.545 -20.418 -14.657 1.00 23.53 C ATOM 1482 CG1 VAL A 155 -21.063 -18.972 -14.702 1.00 25.41 C ATOM 1483 CG2 VAL A 155 -21.348 -21.108 -16.007 1.00 22.43 C ATOM 1484 H VAL A 155 -19.170 -22.249 -14.423 1.00 0.00 H ATOM 1485 N LYS A 156 -22.713 -22.346 -12.549 1.00 22.23 N ATOM 1486 CA LYS A 156 -23.658 -23.437 -12.332 1.00 22.47 C ATOM 1487 C LYS A 156 -25.085 -22.937 -12.542 1.00 19.92 C ATOM 1488 O LYS A 156 -25.428 -21.836 -12.119 1.00 19.41 O ATOM 1489 CB LYS A 156 -23.518 -24.019 -10.923 1.00 28.14 C ATOM 1490 CG LYS A 156 -22.182 -24.677 -10.640 1.00 37.29 C ATOM 1491 CD LYS A 156 -22.216 -25.478 -9.339 1.00 46.63 C ATOM 1492 CE LYS A 156 -22.243 -24.582 -8.107 1.00 53.02 C ATOM 1493 NZ LYS A 156 -22.824 -25.270 -6.913 1.00 55.41 N ATOM 1494 HZ1 LYS A 156 -23.801 -25.559 -7.122 1.00 0.00 H ATOM 1495 HZ2 LYS A 156 -22.254 -26.110 -6.687 1.00 0.00 H ATOM 1496 HZ3 LYS A 156 -22.820 -24.618 -6.103 1.00 0.00 H ATOM 1497 H LYS A 156 -22.921 -21.418 -12.128 1.00 0.00 H ATOM 1498 N GLY A 157 -25.901 -23.746 -13.209 1.00 19.24 N ATOM 1499 CA GLY A 157 -27.317 -23.461 -13.378 1.00 21.96 C ATOM 1500 C GLY A 157 -27.646 -22.256 -14.242 1.00 24.08 C ATOM 1501 O GLY A 157 -28.741 -21.705 -14.145 1.00 23.94 O ATOM 1502 H GLY A 157 -25.512 -24.616 -13.626 1.00 0.00 H ATOM 1503 N LEU A 158 -26.716 -21.865 -15.109 1.00 25.92 N ATOM 1504 CA LEU A 158 -26.857 -20.631 -15.882 1.00 26.43 C ATOM 1505 C LEU A 158 -28.073 -20.664 -16.810 1.00 23.23 C ATOM 1506 O LEU A 158 -28.639 -19.618 -17.152 1.00 22.44 O ATOM 1507 CB LEU A 158 -25.585 -20.372 -16.698 1.00 26.48 C ATOM 1508 CG LEU A 158 -25.489 -19.037 -17.446 1.00 26.15 C ATOM 1509 CD1 LEU A 158 -25.651 -17.852 -16.507 1.00 24.86 C ATOM 1510 CD2 LEU A 158 -24.160 -18.947 -18.174 1.00 25.29 C ATOM 1511 H LEU A 158 -25.867 -22.451 -15.241 1.00 0.00 H ATOM 1512 N GLU A 159 -28.483 -21.864 -17.205 1.00 23.05 N ATOM 1513 CA GLU A 159 -29.622 -22.013 -18.103 1.00 24.38 C ATOM 1514 C GLU A 159 -30.933 -21.603 -17.426 1.00 22.73 C ATOM 1515 O GLU A 159 -31.943 -21.386 -18.094 1.00 22.51 O ATOM 1516 CB GLU A 159 -29.721 -23.458 -18.620 1.00 28.59 C ATOM 1517 CG GLU A 159 -30.005 -24.525 -17.562 1.00 32.22 C ATOM 1518 CD GLU A 159 -28.753 -25.029 -16.861 1.00 36.80 C ATOM 1519 OE1 GLU A 159 -27.717 -24.328 -16.890 1.00 38.77 O ATOM 1520 OE2 GLU A 159 -28.807 -26.134 -16.282 1.00 38.78 O ATOM 1521 H GLU A 159 -27.983 -22.712 -16.868 1.00 0.00 H ATOM 1522 N HIS A 160 -30.909 -21.493 -16.101 1.00 22.95 N ATOM 1523 CA HIS A 160 -32.103 -21.148 -15.336 1.00 24.03 C ATOM 1524 C HIS A 160 -32.248 -19.646 -15.125 1.00 21.35 C ATOM 1525 O HIS A 160 -33.288 -19.184 -14.657 1.00 19.44 O ATOM 1526 CB HIS A 160 -32.080 -21.846 -13.980 1.00 26.09 C ATOM 1527 CG HIS A 160 -31.942 -23.332 -14.070 1.00 27.03 C ATOM 1528 ND1 HIS A 160 -32.775 -24.111 -14.846 1.00 27.39 N ATOM 1529 CD2 HIS A 160 -31.075 -24.184 -13.477 1.00 24.53 C ATOM 1530 CE1 HIS A 160 -32.420 -25.378 -14.731 1.00 26.70 C ATOM 1531 NE2 HIS A 160 -31.390 -25.450 -13.905 1.00 25.01 N ATOM 1532 H HIS A 160 -30.015 -21.657 -15.596 1.00 0.00 H ATOM 1533 N HIS A 161 -31.201 -18.894 -15.450 1.00 22.11 N ATOM 1534 CA HIS A 161 -31.226 -17.438 -15.315 1.00 23.06 C ATOM 1535 C HIS A 161 -32.377 -16.852 -16.130 1.00 25.98 C ATOM 1536 O HIS A 161 -32.590 -17.249 -17.272 1.00 27.63 O ATOM 1537 CB HIS A 161 -29.889 -16.840 -15.763 1.00 23.85 C ATOM 1538 CG HIS A 161 -29.688 -15.420 -15.332 1.00 25.37 C ATOM 1539 ND1 HIS A 161 -30.344 -14.363 -15.925 1.00 26.56 N ATOM 1540 CD2 HIS A 161 -28.906 -14.883 -14.366 1.00 25.83 C ATOM 1541 CE1 HIS A 161 -29.976 -13.236 -15.343 1.00 26.94 C ATOM 1542 NE2 HIS A 161 -29.103 -13.524 -14.394 1.00 26.49 N ATOM 1543 H HIS A 161 -30.340 -19.354 -15.810 1.00 0.00 H ATOM 1544 N HIS A 162 -33.119 -15.910 -15.549 1.00 27.38 N ATOM 1545 CA HIS A 162 -34.347 -15.420 -16.178 1.00 26.26 C ATOM 1546 C HIS A 162 -34.069 -14.665 -17.477 1.00 27.66 C ATOM 1547 O HIS A 162 -34.949 -14.534 -18.324 1.00 28.12 O ATOM 1548 CB HIS A 162 -35.138 -14.531 -15.208 1.00 28.13 C ATOM 1549 CG HIS A 162 -34.462 -13.241 -14.856 1.00 29.74 C ATOM 1550 ND1 HIS A 162 -34.335 -12.197 -15.747 1.00 33.42 N ATOM 1551 CD2 HIS A 162 -33.902 -12.816 -13.699 1.00 30.03 C ATOM 1552 CE1 HIS A 162 -33.710 -11.192 -15.159 1.00 34.90 C ATOM 1553 NE2 HIS A 162 -33.437 -11.542 -13.915 1.00 33.00 N ATOM 1554 H HIS A 162 -32.821 -15.516 -14.634 1.00 0.00 H ATOM 1555 N HIS A 163 -32.839 -14.189 -17.630 1.00 28.39 N ATOM 1556 CA HIS A 163 -32.421 -13.462 -18.826 1.00 37.08 C ATOM 1557 C HIS A 163 -32.411 -14.371 -20.053 1.00 35.75 C ATOM 1558 O HIS A 163 -32.429 -13.898 -21.189 1.00 35.84 O ATOM 1559 CB HIS A 163 -31.033 -12.852 -18.612 1.00 46.19 C ATOM 1560 CG HIS A 163 -30.523 -12.072 -19.784 1.00 59.07 C ATOM 1561 ND1 HIS A 163 -31.022 -10.834 -20.131 1.00 65.25 N ATOM 1562 CD2 HIS A 163 -29.557 -12.354 -20.690 1.00 65.41 C ATOM 1563 CE1 HIS A 163 -30.385 -10.388 -21.199 1.00 69.07 C ATOM 1564 NE2 HIS A 163 -29.491 -11.291 -21.558 1.00 69.16 N ATOM 1565 H HIS A 163 -32.146 -14.340 -16.869 1.00 0.00 H ATOM 1566 N HIS A 164 -32.386 -15.678 -19.814 1.00 33.85 N ATOM 1567 CA HIS A 164 -32.321 -16.658 -20.889 1.00 35.40 C ATOM 1568 C HIS A 164 -33.688 -17.290 -21.165 1.00 35.89 C ATOM 1569 O HIS A 164 -33.783 -18.323 -21.828 1.00 36.02 O ATOM 1570 CB HIS A 164 -31.285 -17.721 -20.535 1.00 40.47 C ATOM 1571 CG HIS A 164 -29.929 -17.153 -20.248 1.00 48.03 C ATOM 1572 ND1 HIS A 164 -29.047 -17.730 -19.361 1.00 49.81 N ATOM 1573 CD2 HIS A 164 -29.310 -16.048 -20.729 1.00 49.66 C ATOM 1574 CE1 HIS A 164 -27.942 -17.007 -19.309 1.00 48.29 C ATOM 1575 NE2 HIS A 164 -28.075 -15.982 -20.131 1.00 47.74 N ATOM 1576 H HIS A 164 -32.414 -16.011 -18.829 1.00 0.00 H ATOM 1577 N HIS A 165 -34.741 -16.649 -20.665 1.00 39.39 N ATOM 1578 CA HIS A 165 -36.110 -17.127 -20.845 1.00 42.32 C ATOM 1579 C HIS A 165 -37.045 -15.972 -21.186 1.00 45.19 C ATOM 1580 O HIS A 165 -38.226 -16.170 -21.477 1.00 47.65 O ATOM 1581 CB HIS A 165 -36.607 -17.836 -19.584 1.00 41.26 C ATOM 1582 CG HIS A 165 -35.872 -19.101 -19.273 1.00 38.30 C ATOM 1583 ND1 HIS A 165 -36.298 -20.337 -19.711 1.00 40.28 N ATOM 1584 CD2 HIS A 165 -34.741 -19.323 -18.563 1.00 34.30 C ATOM 1585 CE1 HIS A 165 -35.460 -21.265 -19.286 1.00 38.84 C ATOM 1586 NE2 HIS A 165 -34.506 -20.677 -18.588 1.00 35.42 N ATOM 1587 OXT HIS A 165 -36.643 -14.810 -21.169 1.00 44.75 O ATOM 1588 H HIS A 165 -34.584 -15.774 -20.125 1.00 0.00 H TER 1589 HIS A 165 HETATM 1590 O HOH 1 -20.251 -16.649 -0.119 1.00 44.72 O HETATM 1591 O HOH 2 15.193 -20.461 -9.584 1.00 26.87 O HETATM 1592 O HOH 3 -24.269 -23.355 -16.029 1.00 28.92 O HETATM 1593 O HOH 4 2.367 -33.447 -19.190 1.00 31.84 O HETATM 1594 O HOH 5 11.029 -30.072 -14.626 1.00 42.36 O HETATM 1595 O HOH 6 -4.175 -14.502 -30.522 1.00 61.86 O HETATM 1596 O HOH 7 -26.238 -14.224 -20.413 1.00 32.54 O HETATM 1597 O HOH 8 3.263 -25.525 -24.441 1.00 29.30 O HETATM 1598 O HOH 9 4.933 -21.411 -3.933 1.00 15.12 O HETATM 1599 O HOH 10 17.713 -15.548 -12.298 1.00 19.97 O HETATM 1600 O HOH 11 -14.339 -18.045 -2.435 1.00 35.20 O HETATM 1601 O HOH 12 -7.650 -22.846 1.729 1.00 22.59 O HETATM 1602 O HOH 13 10.663 -25.202 -23.095 1.00 16.86 O HETATM 1603 O HOH 14 2.596 -17.456 -24.050 1.00 42.15 O HETATM 1604 O HOH 15 4.091 -28.885 -3.799 1.00 59.74 O HETATM 1605 O HOH 16 -13.439 -7.162 -25.765 1.00 55.63 O HETATM 1606 O HOH 17 -11.083 -29.046 -15.389 1.00 18.85 O HETATM 1607 O HOH 18 -1.358 -21.404 0.591 1.00 32.64 O HETATM 1608 O HOH 19 -6.755 -15.274 -12.996 1.00 25.61 O HETATM 1609 O HOH 20 -5.353 -17.126 -25.135 1.00 22.46 O HETATM 1610 O HOH 21 -13.235 -23.868 -12.007 1.00 16.39 O HETATM 1611 O HOH 22 -13.316 -27.217 -14.771 1.00 16.64 O HETATM 1612 O HOH 23 -11.125 -23.725 -5.328 1.00 14.58 O HETATM 1613 O HOH 24 -10.029 -23.475 -2.651 1.00 18.84 O HETATM 1614 O HOH 25 11.564 -11.564 -16.602 1.00 46.87 O HETATM 1615 O HOH 26 5.599 -24.013 -4.835 1.00 27.55 O HETATM 1616 O HOH 27 -20.619 -26.194 -13.632 1.00 23.48 O HETATM 1617 O HOH 28 -16.662 -27.029 -23.958 1.00 47.38 O HETATM 1618 O HOH 29 5.175 -17.474 -22.931 1.00 31.07 O HETATM 1619 O HOH 30 6.924 -19.695 -4.876 1.00 14.72 O HETATM 1620 O HOH 31 -5.120 -9.984 -24.496 1.00 24.70 O HETATM 1621 O HOH 32 -18.191 -25.094 -10.770 1.00 41.69 O HETATM 1622 O HOH 33 -15.280 -16.257 -25.843 1.00 32.67 O HETATM 1623 O HOH 34 -34.634 -23.535 -16.745 1.00 25.90 O HETATM 1624 O HOH 35 -9.797 -17.591 -28.431 1.00 39.47 O HETATM 1625 O HOH 36 -2.061 -19.716 -30.492 1.00 45.57 O HETATM 1626 O HOH 37 13.848 -14.442 -10.404 1.00 14.69 O HETATM 1627 O HOH 38 -2.276 -10.108 -17.980 1.00 31.00 O HETATM 1628 O HOH 39 -27.016 -9.594 -18.415 1.00 81.92 O HETATM 1629 O HOH 40 12.183 -30.705 -17.746 1.00 26.09 O HETATM 1630 O HOH 41 -10.683 -27.830 -8.495 1.00 37.47 O HETATM 1631 O HOH 42 -9.907 -5.551 -23.125 1.00 35.07 O HETATM 1632 O HOH 43 5.917 -11.122 -6.790 1.00 24.11 O HETATM 1633 O HOH 44 -15.594 -11.634 -24.737 1.00 27.89 O HETATM 1634 O HOH 45 -2.485 -25.801 -20.335 1.00 21.91 O HETATM 1635 O HOH 46 0.198 -14.356 6.337 1.00 47.05 O HETATM 1636 O HOH 47 -16.968 -31.109 -10.496 1.00 41.93 O HETATM 1637 O HOH 48 -4.924 -32.640 -17.440 1.00 34.53 O HETATM 1638 O HOH 49 1.343 -20.183 -24.180 1.00 35.81 O HETATM 1639 O HOH 50 -12.489 -1.799 -18.789 1.00 44.68 O HETATM 1640 O HOH 51 -17.563 -34.743 -17.096 1.00 49.00 O HETATM 1641 O HOH 52 -21.797 -20.544 -26.197 1.00 37.22 O HETATM 1642 O HOH 53 -10.173 -30.019 -22.544 1.00 45.83 O HETATM 1643 O HOH 54 -13.357 -17.229 -7.065 1.00 26.90 O HETATM 1644 O HOH 55 -19.671 -14.530 -28.451 1.00 64.05 O HETATM 1645 O HOH 56 -23.668 -21.104 -8.467 1.00 23.30 O HETATM 1646 O HOH 57 -31.988 -21.558 -20.935 1.00 42.28 O HETATM 1647 O HOH 58 -14.039 -20.492 -26.112 1.00 82.63 O HETATM 1648 O HOH 59 -17.808 -8.729 -25.188 1.00 58.74 O HETATM 1649 O HOH 60 -1.298 -22.214 -27.676 1.00 29.52 O HETATM 1650 O HOH 61 4.549 -13.021 -26.477 1.00 40.34 O HETATM 1651 O HOH 62 15.788 -17.830 -18.009 1.00 30.70 O HETATM 1652 O HOH 63 -28.287 -15.179 -10.640 1.00 19.22 O HETATM 1653 O HOH 64 -14.550 -35.243 -15.333 1.00 36.89 O HETATM 1654 O HOH 65 0.476 -10.985 0.093 1.00 31.94 O HETATM 1655 O HOH 66 -29.851 -20.656 -22.415 1.00 64.39 O HETATM 1656 O HOH 67 10.905 -19.292 -18.726 1.00 24.18 O HETATM 1657 O HOH 68 6.420 -20.234 -23.727 1.00 50.24 O HETATM 1658 O HOH 69 13.929 -24.004 -18.193 1.00 19.99 O HETATM 1659 O HOH 70 -2.315 -11.357 -14.949 1.00 43.76 O HETATM 1660 O HOH 71 -20.085 -26.214 -6.268 1.00 38.35 O HETATM 1661 O HOH 72 -12.236 -31.264 -20.775 1.00 35.48 O HETATM 1662 O HOH 73 8.636 -10.449 -7.582 1.00 28.61 O HETATM 1663 O HOH 74 -10.891 -6.749 -25.431 1.00 33.90 O HETATM 1664 O HOH 75 -8.018 -29.493 -26.293 1.00 43.59 O HETATM 1665 O HOH 76 1.257 -30.052 -4.999 1.00 26.69 O HETATM 1666 O HOH 77 -6.720 -35.316 -18.690 1.00 60.53 O HETATM 1667 O HOH 78 -6.761 -35.292 -15.453 1.00 48.02 O HETATM 1668 O HOH 79 -13.752 -25.924 -10.660 1.00 26.17 O HETATM 1669 O HOH 80 -23.301 -5.868 -21.278 1.00 47.30 O HETATM 1670 O HOH 81 -33.808 -10.279 -18.872 1.00 40.46 O HETATM 1671 O HOH 82 4.242 -17.455 -27.563 1.00 38.61 O HETATM 1672 O HOH 83 -27.572 -26.831 -12.018 1.00 47.11 O HETATM 1673 O HOH 84 -34.384 -21.155 -23.129 1.00 54.73 O HETATM 1674 O HOH 85 9.700 -9.656 -9.518 1.00 39.80 O HETATM 1675 O HOH 86 18.700 -10.603 -11.704 1.00 38.32 O HETATM 1676 O HOH 87 -5.085 -11.079 -38.434 1.00 42.32 O HETATM 1677 O HOH 88 0.611 -28.174 -29.651 1.00 46.76 O HETATM 1678 O HOH 89 -8.246 -24.920 -24.965 1.00 35.85 O HETATM 1679 O HOH 90 3.204 -33.122 -24.286 1.00 44.44 O HETATM 1680 O HOH 91 -40.441 -15.755 -19.090 1.00 41.08 O HETATM 1681 O HOH 92 -6.968 -18.743 -26.551 1.00 37.07 O HETATM 1682 O HOH 93 -25.608 -7.622 -6.017 1.00 49.81 O HETATM 1683 O HOH 94 -30.364 -10.239 -13.561 1.00 54.25 O HETATM 1684 O HOH 95 0.058 -3.340 -21.456 1.00 45.40 O HETATM 1685 O HOH 96 -3.742 -2.925 -24.378 1.00 35.15 O HETATM 1686 O HOH 97 0.280 -24.554 -26.297 1.00 41.55 O HETATM 1687 O HOH 98 -19.423 -27.405 -11.126 1.00 51.22 O HETATM 1688 O HOH 99 -5.974 -2.437 -24.273 1.00 49.24 O HETATM 1689 O HOH 100 -30.013 -10.092 -16.899 1.00 61.04 O HETATM 1690 O HOH 101 -33.882 -24.056 -19.156 1.00 39.16 O HETATM 1691 O HOH 102 6.612 -8.291 -6.198 1.00 71.43 O HETATM 1692 O HOH 103 2.209 -8.917 1.101 1.00 51.83 O HETATM 1693 O HOH 104 -10.792 -16.536 -6.536 1.00 31.07 O HETATM 1694 O HOH 105 -16.810 -14.471 -27.440 1.00 56.20 O HETATM 1695 O HOH 106 -11.859 -23.991 -25.969 1.00 51.58 O HETATM 1696 O HOH 107 -14.679 -5.544 -26.889 1.00 50.61 O HETATM 1697 O HOH 108 -11.692 -22.692 6.920 1.00 59.00 O HETATM 1698 O HOH 109 9.019 -20.805 -23.441 1.00 49.34 O HETATM 1699 O HOH 110 10.524 -22.651 -24.276 1.00 17.35 O HETATM 1700 O HOH 111 5.049 -34.637 -19.412 1.00 49.83 O HETATM 1701 O HOH 112 -20.402 -13.727 0.924 1.00 30.03 O HETATM 1702 O HOH 113 -11.222 -26.380 -24.889 1.00 84.27 O HETATM 1703 P P A 4 -15.829 -13.126 -8.458 1.00 0.01 P HETATM 1704 C1A P A 4 -14.544 -12.305 -9.445 1.00 0.01 C HETATM 1705 C2A P A 4 -13.478 -11.667 -8.835 1.00 -0.05 C HETATM 1706 C3A P A 4 -12.509 -11.049 -9.612 1.00 -0.07 C HETATM 1707 C4A P A 4 -12.604 -11.068 -10.995 1.00 -0.07 C HETATM 1708 C5A P A 4 -13.670 -11.707 -11.604 1.00 -0.07 C HETATM 1709 C6A P A 4 -14.639 -12.326 -10.830 1.00 -0.05 C HETATM 1710 H5 P A 4 -15.473 -12.828 -11.307 1.00 0.06 H HETATM 1711 H4 P A 4 -13.747 -11.723 -12.685 1.00 0.06 H HETATM 1712 H3 P A 4 -11.845 -10.583 -11.598 1.00 0.06 H HETATM 1713 H2 P A 4 -11.674 -10.549 -9.136 1.00 0.06 H HETATM 1714 H1 P A 4 -13.400 -11.650 -7.754 1.00 0.06 H HETATM 1715 C1C P A 4 -17.329 -12.091 -8.497 1.00 0.01 C HETATM 1716 C6C P A 4 -17.267 -10.807 -9.023 1.00 -0.05 C HETATM 1717 C5C P A 4 -18.401 -10.008 -9.056 1.00 -0.07 C HETATM 1718 C4C P A 4 -19.602 -10.490 -8.561 1.00 -0.07 C HETATM 1719 C3C P A 4 -19.666 -11.771 -8.034 1.00 -0.07 C HETATM 1720 C2C P A 4 -18.532 -12.570 -8.001 1.00 -0.05 C HETATM 1721 H10 P A 4 -18.587 -13.570 -7.587 1.00 0.06 H HETATM 1722 H9 P A 4 -20.605 -12.149 -7.646 1.00 0.06 H HETATM 1723 H8 P A 4 -20.489 -9.867 -8.586 1.00 0.06 H HETATM 1724 H7 P A 4 -18.347 -9.007 -9.469 1.00 0.06 H HETATM 1725 H6 P A 4 -16.328 -10.427 -9.410 1.00 0.06 H HETATM 1726 C1D P A 4 -16.104 -14.747 -9.236 1.00 0.01 C HETATM 1727 C6D P A 4 -15.264 -15.812 -8.952 1.00 -0.05 C HETATM 1728 C5D P A 4 -15.464 -17.048 -9.549 1.00 -0.07 C HETATM 1729 C4D P A 4 -16.507 -17.219 -10.443 1.00 -0.07 C HETATM 1730 C3D P A 4 -17.337 -16.152 -10.738 1.00 -0.07 C HETATM 1731 C2D P A 4 -17.139 -14.920 -10.135 1.00 -0.05 C HETATM 1732 H15 P A 4 -17.797 -14.091 -10.369 1.00 0.06 H HETATM 1733 H14 P A 4 -18.148 -16.281 -11.446 1.00 0.06 H HETATM 1734 H13 P A 4 -16.672 -18.183 -10.909 1.00 0.06 H HETATM 1735 H12 P A 4 -14.806 -17.877 -9.316 1.00 0.06 H HETATM 1736 H11 P A 4 -14.443 -15.678 -8.257 1.00 0.06 H HETATM 1737 C1B P A 4 -15.304 -13.339 -6.726 1.00 0.01 C HETATM 1738 C6B P A 4 -16.059 -12.786 -5.700 1.00 -0.05 C HETATM 1739 C5B P A 4 -15.670 -12.946 -4.378 1.00 -0.07 C HETATM 1740 C4B P A 4 -14.522 -13.659 -4.076 1.00 -0.07 C HETATM 1741 C3B P A 4 -13.765 -14.212 -5.096 1.00 -0.07 C HETATM 1742 C2B P A 4 -14.155 -14.052 -6.417 1.00 -0.05 C HETATM 1743 H20 P A 4 -13.559 -14.486 -7.212 1.00 0.06 H HETATM 1744 H19 P A 4 -12.866 -14.771 -4.861 1.00 0.06 H HETATM 1745 H18 P A 4 -14.216 -13.784 -3.044 1.00 0.06 H HETATM 1746 H17 P A 4 -16.265 -12.513 -3.582 1.00 0.06 H HETATM 1747 H16 P A 4 -16.957 -12.226 -5.933 1.00 0.06 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1703 1704 1715 1726 1737 CONECT 1704 1703 1705 1709 CONECT 1705 1704 1706 1714 CONECT 1706 1705 1707 1713 CONECT 1707 1706 1708 1712 CONECT 1708 1707 1709 1711 CONECT 1709 1704 1708 1710 CONECT 1710 1709 CONECT 1711 1708 CONECT 1712 1707 CONECT 1713 1706 CONECT 1714 1705 CONECT 1715 1703 1716 1720 CONECT 1716 1715 1717 1725 CONECT 1717 1716 1718 1724 CONECT 1718 1717 1719 1723 CONECT 1719 1718 1720 1722 CONECT 1720 1715 1719 1721 CONECT 1721 1720 CONECT 1722 1719 CONECT 1723 1718 CONECT 1724 1717 CONECT 1725 1716 CONECT 1726 1703 1727 1731 CONECT 1727 1726 1728 1736 CONECT 1728 1727 1729 1735 CONECT 1729 1728 1730 1734 CONECT 1730 1729 1731 1733 CONECT 1731 1726 1730 1732 CONECT 1732 1731 CONECT 1733 1730 CONECT 1734 1729 CONECT 1735 1728 CONECT 1736 1727 CONECT 1737 1703 1738 1742 CONECT 1738 1737 1739 1747 CONECT 1739 1738 1740 1746 CONECT 1740 1739 1741 1745 CONECT 1741 1740 1742 1744 CONECT 1742 1737 1741 1743 CONECT 1743 1742 CONECT 1744 1741 CONECT 1745 1740 CONECT 1746 1739 CONECT 1747 1738 MASTER 0 0 0 0 0 0 0 0 1746 1 49 13 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 5kat
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5kau
RCSB PDB
PDBbind
165aa, >5KAU_1|Chain... at 100%
5kcb
RCSB PDB
PDBbind
165aa, >5KCB_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
2bow
RCSB PDB
PDBbind
P4P
Entry Information
PDB ID
5kat
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
protein containing GyrI-like domain SAV2435
Ligand Name
P4P
EC.Number
E.C.-.-.-.-
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
Kd=78.7uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Biochemistry Vol. 55: pp. 4850-4863
Ligand Properties
Formula
C
2
4
H
2
0
P
Molecular Weight
339.389
Exact Mass
339.130
No. of atoms
45
No. of bonds
48
Polar Surface Area
13.59
LOGP Value
6.18 (
Computed with XLOGP3
)
4.31 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 0
No. of Rings: 4
Canonical SMILES
c1ccc(cc1)P(c1ccccc1)(c1ccccc1)c1ccccc1
InChI String
InChI=1S/C24H21P/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25H
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
A0A0H3JRN6
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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