Browse entries in the PDBbind-CN Database
HEADER 5GO2_COMPLEX COMPND 5GO2_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 B 88 MET SER ASN THR GLU LEU GLU LEU LEU ARG GLN LYS ALA SEQRES 2 B 88 ASP GLU LEU ASN LEU GLN ILE LEU LYS LEU ILE ASN GLU SEQRES 3 B 88 ARG GLY ASN VAL VAL LYS GLU ILE GLY LYS ALA LYS GLU SEQRES 4 B 88 ALA GLN GLY VAL ASN ARG PHE ASP PRO VAL ARG GLU ARG SEQRES 5 B 88 THR MET LEU ASN ASN ILE ILE GLU ASN ASN ASP GLY PRO SEQRES 6 B 88 PHE GLU ASN SER THR ILE GLN HIS ILE PHE LYS GLU ILE SEQRES 7 B 88 PHE LYS ALA GLY LEU GLU LEU GLN GLU GLU HET CIT A 123 18 ATOM 1 N MET B 1 -23.147 -16.022 7.430 1.00 52.54 N ATOM 2 CA MET B 1 -22.614 -14.771 7.983 1.00 44.00 C ATOM 3 C MET B 1 -23.688 -13.705 8.157 1.00 41.48 C ATOM 4 O MET B 1 -24.355 -13.325 7.189 1.00 41.96 O ATOM 5 CB MET B 1 -21.501 -14.215 7.090 1.00 50.05 C ATOM 6 CG MET B 1 -21.138 -12.768 7.389 1.00 53.65 C ATOM 7 SD MET B 1 -19.985 -12.026 6.210 1.00 54.47 S ATOM 8 CE MET B 1 -18.750 -13.331 6.095 1.00 53.05 C ATOM 9 HN3 MET B 1 -23.568 -15.836 6.497 1.00 0.00 H ATOM 10 HN2 MET B 1 -23.874 -16.401 8.070 1.00 0.00 H ATOM 11 HN1 MET B 1 -22.376 -16.713 7.332 1.00 0.00 H ATOM 12 N SER B 2 -23.830 -13.208 9.387 1.00 40.25 N ATOM 13 CA SER B 2 -24.756 -12.120 9.676 1.00 37.56 C ATOM 14 C SER B 2 -24.402 -10.859 8.881 1.00 35.71 C ATOM 15 O SER B 2 -23.257 -10.641 8.473 1.00 32.30 O ATOM 16 CB SER B 2 -24.736 -11.792 11.170 1.00 40.80 C ATOM 17 OG SER B 2 -23.454 -11.303 11.538 1.00 37.53 O ATOM 18 HG SER B 2 -23.253 -10.484 11.020 1.00 0.00 H ATOM 19 H SER B 2 -23.264 -13.608 10.162 1.00 0.00 H ATOM 20 N ASN B 3 -25.400 -9.993 8.690 1.00 38.83 N ATOM 21 CA ASN B 3 -25.086 -8.683 8.141 1.00 40.93 C ATOM 22 C ASN B 3 -24.215 -7.887 9.104 1.00 32.08 C ATOM 23 O ASN B 3 -23.413 -7.055 8.667 1.00 31.52 O ATOM 24 CB ASN B 3 -26.362 -7.898 7.820 1.00 57.43 C ATOM 25 CG ASN B 3 -27.237 -8.592 6.794 1.00 67.54 C ATOM 26 OD1 ASN B 3 -26.801 -9.510 6.097 1.00 70.71 O ATOM 27 ND2 ASN B 3 -28.484 -8.147 6.693 1.00 70.89 N ATOM 28 HD22 ASN B 3 -28.810 -7.369 7.302 1.00 0.00 H ATOM 29 HD21 ASN B 3 -29.135 -8.576 6.005 1.00 0.00 H ATOM 30 H ASN B 3 -26.379 -10.249 8.928 1.00 0.00 H ATOM 31 N THR B 4 -24.367 -8.115 10.411 1.00 32.39 N ATOM 32 CA THR B 4 -23.493 -7.442 11.365 1.00 32.55 C ATOM 33 C THR B 4 -22.040 -7.824 11.111 1.00 39.24 C ATOM 34 O THR B 4 -21.150 -6.962 11.082 1.00 33.87 O ATOM 35 CB THR B 4 -23.918 -7.782 12.801 1.00 33.41 C ATOM 36 OG1 THR B 4 -25.300 -7.452 12.996 1.00 41.68 O ATOM 37 CG2 THR B 4 -23.087 -6.995 13.818 1.00 37.02 C ATOM 38 HG1 THR B 4 -25.855 -7.970 12.361 1.00 0.00 H ATOM 39 H THR B 4 -25.104 -8.768 10.746 1.00 0.00 H ATOM 40 N GLU B 5 -21.784 -9.110 10.872 1.00 30.08 N ATOM 41 CA GLU B 5 -20.421 -9.540 10.585 1.00 31.02 C ATOM 42 C GLU B 5 -19.918 -8.899 9.302 1.00 33.11 C ATOM 43 O GLU B 5 -18.809 -8.361 9.255 1.00 28.85 O ATOM 44 CB GLU B 5 -20.346 -11.066 10.490 1.00 27.49 C ATOM 45 CG GLU B 5 -18.943 -11.565 10.153 1.00 28.69 C ATOM 46 CD GLU B 5 -18.774 -13.081 10.241 1.00 45.78 C ATOM 47 OE1 GLU B 5 -19.654 -13.777 10.801 1.00 43.22 O ATOM 48 OE2 GLU B 5 -17.732 -13.570 9.747 1.00 50.03 O ATOM 49 H GLU B 5 -22.556 -9.806 10.890 1.00 0.00 H ATOM 50 N LEU B 6 -20.733 -8.944 8.248 1.00 33.49 N ATOM 51 CA LEU B 6 -20.388 -8.283 6.991 1.00 29.36 C ATOM 52 C LEU B 6 -19.996 -6.821 7.216 1.00 36.50 C ATOM 53 O LEU B 6 -18.951 -6.356 6.735 1.00 38.58 O ATOM 54 CB LEU B 6 -21.577 -8.390 6.033 1.00 39.77 C ATOM 55 CG LEU B 6 -21.464 -7.883 4.592 1.00 44.47 C ATOM 56 CD1 LEU B 6 -22.649 -8.392 3.793 1.00 37.93 C ATOM 57 CD2 LEU B 6 -21.442 -6.386 4.566 1.00 52.88 C ATOM 58 H LEU B 6 -21.633 -9.460 8.322 1.00 0.00 H ATOM 59 N GLU B 7 -20.827 -6.077 7.950 1.00 38.41 N ATOM 60 CA GLU B 7 -20.535 -4.664 8.167 1.00 36.27 C ATOM 61 C GLU B 7 -19.254 -4.476 8.971 1.00 36.67 C ATOM 62 O GLU B 7 -18.485 -3.538 8.720 1.00 34.18 O ATOM 63 CB GLU B 7 -21.712 -3.977 8.856 1.00 35.46 C ATOM 64 CG GLU B 7 -22.838 -3.606 7.899 1.00 40.17 C ATOM 65 CD GLU B 7 -22.356 -2.715 6.764 1.00 48.84 C ATOM 66 OE1 GLU B 7 -21.152 -2.390 6.709 1.00 57.48 O ATOM 67 OE2 GLU B 7 -23.178 -2.333 5.923 1.00 46.05 O ATOM 68 H GLU B 7 -21.680 -6.503 8.366 1.00 0.00 H ATOM 69 N LEU B 8 -19.007 -5.356 9.944 1.00 32.78 N ATOM 70 CA LEU B 8 -17.800 -5.228 10.751 1.00 30.34 C ATOM 71 C LEU B 8 -16.557 -5.537 9.929 1.00 33.93 C ATOM 72 O LEU B 8 -15.520 -4.879 10.095 1.00 32.67 O ATOM 73 CB LEU B 8 -17.892 -6.137 11.977 1.00 38.50 C ATOM 74 CG LEU B 8 -18.788 -5.577 13.078 1.00 36.22 C ATOM 75 CD1 LEU B 8 -19.020 -6.591 14.190 1.00 33.41 C ATOM 76 CD2 LEU B 8 -18.166 -4.293 13.629 1.00 42.86 C ATOM 77 H LEU B 8 -19.675 -6.132 10.126 1.00 0.00 H ATOM 78 N LEU B 9 -16.656 -6.524 9.021 1.00 29.74 N ATOM 79 CA LEU B 9 -15.590 -6.782 8.050 1.00 29.55 C ATOM 80 C LEU B 9 -15.324 -5.560 7.175 1.00 29.25 C ATOM 81 O LEU B 9 -14.165 -5.211 6.924 1.00 31.95 O ATOM 82 CB LEU B 9 -15.942 -8.004 7.175 1.00 23.96 C ATOM 83 CG LEU B 9 -15.801 -9.367 7.868 1.00 27.64 C ATOM 84 CD1 LEU B 9 -16.379 -10.527 7.052 1.00 31.07 C ATOM 85 CD2 LEU B 9 -14.344 -9.634 8.217 1.00 27.30 C ATOM 86 H LEU B 9 -17.509 -7.118 9.008 1.00 0.00 H ATOM 87 N ARG B 10 -16.382 -4.901 6.691 1.00 35.56 N ATOM 88 CA ARG B 10 -16.178 -3.668 5.931 1.00 40.44 C ATOM 89 C ARG B 10 -15.457 -2.613 6.765 1.00 35.91 C ATOM 90 O ARG B 10 -14.539 -1.942 6.277 1.00 33.79 O ATOM 91 CB ARG B 10 -17.516 -3.131 5.424 1.00 38.37 C ATOM 92 CG ARG B 10 -18.181 -4.062 4.415 1.00 35.36 C ATOM 93 CD ARG B 10 -19.365 -3.428 3.694 1.00 38.55 C ATOM 94 NE ARG B 10 -19.355 -3.817 2.292 1.00 51.78 N ATOM 95 CZ ARG B 10 -20.377 -4.341 1.626 1.00 54.35 C ATOM 96 NH1 ARG B 10 -21.548 -4.518 2.219 1.00 53.82 N ATOM 97 NH2 ARG B 10 -20.225 -4.665 0.347 1.00 70.15 N ATOM 98 HE ARG B 10 -18.470 -3.672 1.766 1.00 0.00 H ATOM 99 HH12 ARG B 10 -22.343 -4.929 1.689 1.00 0.00 H ATOM 100 HH11 ARG B 10 -21.673 -4.246 3.215 1.00 0.00 H ATOM 101 HH22 ARG B 10 -21.020 -5.076 -0.183 1.00 0.00 H ATOM 102 HH21 ARG B 10 -19.311 -4.508 -0.124 1.00 0.00 H ATOM 103 H ARG B 10 -17.343 -5.263 6.854 1.00 0.00 H ATOM 104 N GLN B 11 -15.866 -2.444 8.021 1.00 35.27 N ATOM 105 CA GLN B 11 -15.184 -1.509 8.913 1.00 28.92 C ATOM 106 C GLN B 11 -13.698 -1.836 9.021 1.00 34.56 C ATOM 107 O GLN B 11 -12.836 -0.951 8.908 1.00 28.10 O ATOM 108 CB GLN B 11 -15.842 -1.547 10.293 1.00 34.98 C ATOM 109 CG GLN B 11 -15.260 -0.541 11.275 1.00 50.49 C ATOM 110 CD GLN B 11 -15.563 0.904 10.892 1.00 61.16 C ATOM 111 OE1 GLN B 11 -16.651 1.219 10.388 1.00 59.98 O ATOM 112 NE2 GLN B 11 -14.595 1.791 11.130 1.00 60.21 N ATOM 113 HE22 GLN B 11 -13.698 1.480 11.555 1.00 0.00 H ATOM 114 HE21 GLN B 11 -14.738 2.793 10.891 1.00 0.00 H ATOM 115 H GLN B 11 -16.682 -2.985 8.372 1.00 0.00 H ATOM 116 N LYS B 12 -13.383 -3.115 9.237 1.00 33.38 N ATOM 117 CA LYS B 12 -11.995 -3.535 9.361 1.00 34.47 C ATOM 118 C LYS B 12 -11.213 -3.226 8.090 1.00 36.41 C ATOM 119 O LYS B 12 -10.106 -2.681 8.153 1.00 33.27 O ATOM 120 CB LYS B 12 -11.940 -5.026 9.699 1.00 30.73 C ATOM 121 CG LYS B 12 -10.549 -5.638 9.651 1.00 29.97 C ATOM 122 CD LYS B 12 -10.487 -6.907 10.478 1.00 28.39 C ATOM 123 CE LYS B 12 -9.140 -7.606 10.364 1.00 31.20 C ATOM 124 NZ LYS B 12 -9.190 -8.954 11.000 1.00 35.11 N ATOM 125 HZ1 LYS B 12 -9.433 -8.852 12.006 1.00 0.00 H ATOM 126 HZ2 LYS B 12 -9.911 -9.533 10.525 1.00 0.00 H ATOM 127 HZ3 LYS B 12 -8.261 -9.413 10.911 1.00 0.00 H ATOM 128 H LYS B 12 -14.141 -3.822 9.318 1.00 0.00 H ATOM 129 N ALA B 13 -11.783 -3.537 6.923 1.00 32.71 N ATOM 130 CA ALA B 13 -11.110 -3.194 5.670 1.00 35.21 C ATOM 131 C ALA B 13 -10.839 -1.692 5.570 1.00 32.87 C ATOM 132 O ALA B 13 -9.747 -1.283 5.159 1.00 29.87 O ATOM 133 CB ALA B 13 -11.942 -3.665 4.475 1.00 30.58 C ATOM 134 H ALA B 13 -12.703 -4.022 6.905 1.00 0.00 H ATOM 135 N ASP B 14 -11.820 -0.852 5.927 1.00 30.52 N ATOM 136 CA ASP B 14 -11.609 0.600 5.867 1.00 32.22 C ATOM 137 C ASP B 14 -10.489 1.053 6.808 1.00 31.71 C ATOM 138 O ASP B 14 -9.625 1.863 6.424 1.00 32.66 O ATOM 139 CB ASP B 14 -12.913 1.343 6.193 1.00 34.98 C ATOM 140 CG ASP B 14 -13.999 1.143 5.136 1.00 46.60 C ATOM 141 OD1 ASP B 14 -13.675 0.737 4.001 1.00 48.33 O ATOM 142 OD2 ASP B 14 -15.190 1.404 5.440 1.00 49.28 O ATOM 143 H ASP B 14 -12.734 -1.230 6.248 1.00 0.00 H ATOM 144 N GLU B 15 -10.481 0.542 8.046 1.00 29.05 N ATOM 145 CA GLU B 15 -9.397 0.876 8.968 1.00 32.64 C ATOM 146 C GLU B 15 -8.055 0.431 8.409 1.00 26.94 C ATOM 147 O GLU B 15 -7.029 1.108 8.585 1.00 28.36 O ATOM 148 CB GLU B 15 -9.636 0.224 10.327 1.00 34.09 C ATOM 149 CG GLU B 15 -10.880 0.724 11.030 1.00 44.67 C ATOM 150 CD GLU B 15 -11.104 0.074 12.383 1.00 44.36 C ATOM 151 OE1 GLU B 15 -10.357 -0.865 12.745 1.00 50.26 O ATOM 152 OE2 GLU B 15 -12.033 0.513 13.087 1.00 50.66 O ATOM 153 H GLU B 15 -11.246 -0.093 8.351 1.00 0.00 H ATOM 154 N LEU B 16 -8.048 -0.712 7.727 1.00 30.48 N ATOM 155 CA LEU B 16 -6.824 -1.203 7.113 1.00 27.20 C ATOM 156 C LEU B 16 -6.359 -0.256 6.014 1.00 32.50 C ATOM 157 O LEU B 16 -5.166 0.045 5.920 1.00 31.51 O ATOM 158 CB LEU B 16 -7.035 -2.620 6.581 1.00 24.16 C ATOM 159 CG LEU B 16 -7.027 -3.707 7.661 1.00 30.31 C ATOM 160 CD1 LEU B 16 -7.377 -5.049 7.071 1.00 25.71 C ATOM 161 CD2 LEU B 16 -5.664 -3.778 8.371 1.00 31.93 C ATOM 162 H LEU B 16 -8.927 -1.260 7.632 1.00 0.00 H ATOM 163 N ASN B 17 -7.292 0.262 5.203 1.00 30.80 N ATOM 164 CA ASN B 17 -6.921 1.266 4.209 1.00 23.27 C ATOM 165 C ASN B 17 -6.219 2.448 4.865 1.00 24.85 C ATOM 166 O ASN B 17 -5.232 2.972 4.330 1.00 22.81 O ATOM 167 CB ASN B 17 -8.148 1.796 3.454 1.00 27.49 C ATOM 168 CG ASN B 17 -8.821 0.750 2.589 1.00 30.79 C ATOM 169 OD1 ASN B 17 -8.223 -0.251 2.209 1.00 32.61 O ATOM 170 ND2 ASN B 17 -10.069 1.006 2.246 1.00 27.84 N ATOM 171 HD22 ASN B 17 -10.537 1.868 2.592 1.00 0.00 H ATOM 172 HD21 ASN B 17 -10.585 0.346 1.630 1.00 0.00 H ATOM 173 H ASN B 17 -8.281 -0.051 5.281 1.00 0.00 H ATOM 174 N LEU B 18 -6.745 2.912 6.000 1.00 28.43 N ATOM 175 CA LEU B 18 -6.158 4.094 6.626 1.00 36.38 C ATOM 176 C LEU B 18 -4.764 3.795 7.177 1.00 34.75 C ATOM 177 O LEU B 18 -3.868 4.656 7.119 1.00 34.98 O ATOM 178 CB LEU B 18 -7.088 4.638 7.716 1.00 32.18 C ATOM 179 CG LEU B 18 -8.078 5.728 7.290 1.00 44.54 C ATOM 180 CD1 LEU B 18 -8.981 5.270 6.169 1.00 51.57 C ATOM 181 CD2 LEU B 18 -8.916 6.210 8.463 1.00 50.88 C ATOM 182 H LEU B 18 -7.563 2.438 6.434 1.00 0.00 H ATOM 183 N GLN B 19 -4.554 2.577 7.700 1.00 33.05 N ATOM 184 CA GLN B 19 -3.219 2.201 8.163 1.00 32.09 C ATOM 185 C GLN B 19 -2.241 2.104 6.996 1.00 30.23 C ATOM 186 O GLN B 19 -1.103 2.586 7.082 1.00 28.27 O ATOM 187 CB GLN B 19 -3.277 0.873 8.925 1.00 25.30 C ATOM 188 CG GLN B 19 -4.035 0.936 10.250 1.00 41.23 C ATOM 189 CD GLN B 19 -4.284 -0.430 10.866 1.00 62.89 C ATOM 190 OE1 GLN B 19 -4.155 -1.459 10.202 1.00 73.73 O ATOM 191 NE2 GLN B 19 -4.647 -0.444 12.144 1.00 67.00 N ATOM 192 HE22 GLN B 19 -4.744 0.450 12.667 1.00 0.00 H ATOM 193 HE21 GLN B 19 -4.834 -1.349 12.621 1.00 0.00 H ATOM 194 H GLN B 19 -5.341 1.901 7.776 1.00 0.00 H ATOM 195 N ILE B 20 -2.670 1.489 5.896 1.00 27.18 N ATOM 196 CA ILE B 20 -1.855 1.477 4.685 1.00 26.91 C ATOM 197 C ILE B 20 -1.518 2.900 4.238 1.00 18.75 C ATOM 198 O ILE B 20 -0.386 3.184 3.826 1.00 26.87 O ATOM 199 CB ILE B 20 -2.576 0.672 3.591 1.00 28.25 C ATOM 200 CG1 ILE B 20 -2.752 -0.771 4.088 1.00 23.89 C ATOM 201 CG2 ILE B 20 -1.807 0.734 2.261 1.00 25.80 C ATOM 202 CD1 ILE B 20 -3.783 -1.607 3.347 1.00 29.44 C ATOM 203 H ILE B 20 -3.594 1.013 5.899 1.00 0.00 H ATOM 204 N LEU B 21 -2.480 3.823 4.326 1.00 25.86 N ATOM 205 CA LEU B 21 -2.196 5.195 3.914 1.00 28.05 C ATOM 206 C LEU B 21 -1.091 5.786 4.778 1.00 33.13 C ATOM 207 O LEU B 21 -0.117 6.361 4.269 1.00 27.95 O ATOM 208 CB LEU B 21 -3.462 6.060 4.002 1.00 29.49 C ATOM 209 CG LEU B 21 -3.257 7.577 3.809 1.00 29.01 C ATOM 210 CD1 LEU B 21 -2.617 7.871 2.447 1.00 32.40 C ATOM 211 CD2 LEU B 21 -4.565 8.366 4.000 1.00 25.91 C ATOM 212 H LEU B 21 -3.422 3.567 4.684 1.00 0.00 H ATOM 213 N LYS B 22 -1.226 5.648 6.097 1.00 32.49 N ATOM 214 CA LYS B 22 -0.212 6.195 6.990 1.00 29.91 C ATOM 215 C LYS B 22 1.163 5.605 6.682 1.00 28.05 C ATOM 216 O LYS B 22 2.161 6.333 6.618 1.00 30.58 O ATOM 217 CB LYS B 22 -0.620 5.947 8.445 1.00 39.70 C ATOM 218 CG LYS B 22 0.317 6.569 9.459 1.00 53.33 C ATOM 219 CD LYS B 22 -0.285 6.592 10.852 1.00 68.51 C ATOM 220 CE LYS B 22 0.673 7.259 11.826 1.00 75.98 C ATOM 221 NZ LYS B 22 1.359 8.429 11.200 1.00 72.47 N ATOM 222 HZ1 LYS B 22 1.899 8.110 10.371 1.00 0.00 H ATOM 223 HZ2 LYS B 22 0.648 9.128 10.904 1.00 0.00 H ATOM 224 HZ3 LYS B 22 2.005 8.861 11.891 1.00 0.00 H ATOM 225 H LYS B 22 -2.052 5.152 6.488 1.00 0.00 H ATOM 226 N LEU B 23 1.233 4.295 6.451 1.00 25.81 N ATOM 227 CA LEU B 23 2.528 3.673 6.196 1.00 28.06 C ATOM 228 C LEU B 23 3.116 4.136 4.863 1.00 28.77 C ATOM 229 O LEU B 23 4.316 4.415 4.775 1.00 26.13 O ATOM 230 CB LEU B 23 2.390 2.154 6.232 1.00 27.98 C ATOM 231 CG LEU B 23 2.014 1.565 7.604 1.00 30.41 C ATOM 232 CD1 LEU B 23 1.993 0.068 7.501 1.00 34.65 C ATOM 233 CD2 LEU B 23 2.982 2.012 8.683 1.00 38.99 C ATOM 234 H LEU B 23 0.368 3.718 6.452 1.00 0.00 H ATOM 235 N ILE B 24 2.287 4.232 3.819 1.00 23.91 N ATOM 236 CA ILE B 24 2.762 4.745 2.534 1.00 25.86 C ATOM 237 C ILE B 24 3.311 6.162 2.691 1.00 26.38 C ATOM 238 O ILE B 24 4.340 6.522 2.102 1.00 21.78 O ATOM 239 CB ILE B 24 1.636 4.672 1.484 1.00 24.77 C ATOM 240 CG1 ILE B 24 1.376 3.199 1.107 1.00 26.71 C ATOM 241 CG2 ILE B 24 2.006 5.510 0.243 1.00 27.12 C ATOM 242 CD1 ILE B 24 0.194 2.977 0.202 1.00 25.05 C ATOM 243 H ILE B 24 1.294 3.939 3.921 1.00 0.00 H ATOM 244 N ASN B 25 2.633 6.988 3.479 1.00 24.65 N ATOM 245 CA ASN B 25 3.088 8.354 3.694 1.00 27.32 C ATOM 246 C ASN B 25 4.394 8.404 4.483 1.00 29.58 C ATOM 247 O ASN B 25 5.309 9.172 4.148 1.00 23.63 O ATOM 248 CB ASN B 25 1.986 9.137 4.408 1.00 25.34 C ATOM 249 CG ASN B 25 0.852 9.497 3.477 1.00 34.81 C ATOM 250 OD1 ASN B 25 0.977 9.328 2.262 1.00 30.29 O ATOM 251 ND2 ASN B 25 -0.255 10.015 4.032 1.00 35.19 N ATOM 252 HD22 ASN B 25 -0.311 10.137 5.063 1.00 0.00 H ATOM 253 HD21 ASN B 25 -1.056 10.294 3.431 1.00 0.00 H ATOM 254 H ASN B 25 1.767 6.655 3.948 1.00 0.00 H ATOM 255 N GLU B 26 4.481 7.620 5.555 1.00 26.32 N ATOM 256 CA GLU B 26 5.722 7.491 6.311 1.00 31.04 C ATOM 257 C GLU B 26 6.880 7.094 5.401 1.00 26.88 C ATOM 258 O GLU B 26 7.948 7.729 5.393 1.00 24.69 O ATOM 259 CB GLU B 26 5.525 6.438 7.394 1.00 36.31 C ATOM 260 CG GLU B 26 5.949 6.844 8.778 1.00 53.13 C ATOM 261 CD GLU B 26 5.540 5.814 9.823 1.00 68.05 C ATOM 262 OE1 GLU B 26 4.322 5.550 9.962 1.00 59.78 O ATOM 263 OE2 GLU B 26 6.438 5.263 10.498 1.00 77.10 O ATOM 264 H GLU B 26 3.643 7.086 5.862 1.00 0.00 H ATOM 265 N ARG B 27 6.686 6.008 4.653 1.00 25.65 N ATOM 266 CA ARG B 27 7.683 5.573 3.694 1.00 26.38 C ATOM 267 C ARG B 27 8.011 6.692 2.717 1.00 23.62 C ATOM 268 O ARG B 27 9.163 6.855 2.308 1.00 25.75 O ATOM 269 CB ARG B 27 7.185 4.316 2.967 1.00 20.44 C ATOM 270 CG ARG B 27 8.207 3.710 2.008 1.00 26.43 C ATOM 271 CD ARG B 27 7.544 2.804 0.951 1.00 23.70 C ATOM 272 NE ARG B 27 8.559 2.297 0.036 1.00 23.68 N ATOM 273 CZ ARG B 27 8.967 2.967 -1.038 1.00 34.06 C ATOM 274 NH1 ARG B 27 8.421 4.151 -1.338 1.00 22.28 N ATOM 275 NH2 ARG B 27 9.912 2.460 -1.813 1.00 25.74 N ATOM 276 HE ARG B 27 8.984 1.368 0.232 1.00 0.00 H ATOM 277 HH12 ARG B 27 8.741 4.673 -2.178 1.00 0.00 H ATOM 278 HH11 ARG B 27 7.676 4.549 -0.731 1.00 0.00 H ATOM 279 HH22 ARG B 27 10.232 2.983 -2.653 1.00 0.00 H ATOM 280 HH21 ARG B 27 10.335 1.538 -1.582 1.00 0.00 H ATOM 281 H ARG B 27 5.806 5.464 4.759 1.00 0.00 H ATOM 282 N GLY B 28 7.013 7.492 2.347 1.00 27.31 N ATOM 283 CA GLY B 28 7.284 8.585 1.434 1.00 25.57 C ATOM 284 C GLY B 28 8.247 9.588 2.038 1.00 24.77 C ATOM 285 O GLY B 28 9.158 10.078 1.362 1.00 27.43 O ATOM 286 H GLY B 28 6.051 7.335 2.709 1.00 0.00 H ATOM 287 N ASN B 29 8.064 9.904 3.325 1.00 26.61 N ATOM 288 CA ASN B 29 8.989 10.819 3.984 1.00 30.02 C ATOM 289 C ASN B 29 10.399 10.229 4.037 1.00 26.55 C ATOM 290 O ASN B 29 11.394 10.944 3.824 1.00 27.77 O ATOM 291 CB ASN B 29 8.472 11.159 5.375 1.00 27.39 C ATOM 292 CG ASN B 29 7.175 11.950 5.322 1.00 42.14 C ATOM 293 OD1 ASN B 29 6.934 12.692 4.368 1.00 37.63 O ATOM 294 ND2 ASN B 29 6.337 11.795 6.337 1.00 40.27 N ATOM 295 HD22 ASN B 29 6.582 11.158 7.121 1.00 0.00 H ATOM 296 HD21 ASN B 29 5.434 12.311 6.349 1.00 0.00 H ATOM 297 H ASN B 29 7.265 9.499 3.854 1.00 0.00 H ATOM 298 N VAL B 30 10.501 8.914 4.268 1.00 26.71 N ATOM 299 CA VAL B 30 11.825 8.285 4.326 1.00 30.45 C ATOM 300 C VAL B 30 12.538 8.388 2.975 1.00 24.09 C ATOM 301 O VAL B 30 13.665 8.900 2.882 1.00 25.92 O ATOM 302 CB VAL B 30 11.714 6.827 4.806 1.00 25.31 C ATOM 303 CG1 VAL B 30 13.073 6.092 4.666 1.00 24.14 C ATOM 304 CG2 VAL B 30 11.219 6.790 6.252 1.00 26.67 C ATOM 305 H VAL B 30 9.644 8.341 4.406 1.00 0.00 H ATOM 306 N VAL B 31 11.893 7.915 1.900 1.00 27.88 N ATOM 307 CA VAL B 31 12.569 7.982 0.607 1.00 26.87 C ATOM 308 C VAL B 31 12.732 9.412 0.115 1.00 29.44 C ATOM 309 O VAL B 31 13.605 9.665 -0.710 1.00 26.23 O ATOM 310 CB VAL B 31 11.877 7.116 -0.475 1.00 30.50 C ATOM 311 CG1 VAL B 31 11.704 5.709 0.023 1.00 24.11 C ATOM 312 CG2 VAL B 31 10.531 7.723 -0.960 1.00 21.42 C ATOM 313 H VAL B 31 10.938 7.512 1.984 1.00 0.00 H ATOM 314 N LYS B 32 11.931 10.373 0.591 1.00 26.29 N ATOM 315 CA LYS B 32 12.238 11.763 0.271 1.00 24.96 C ATOM 316 C LYS B 32 13.578 12.171 0.876 1.00 28.82 C ATOM 317 O LYS B 32 14.372 12.878 0.239 1.00 27.82 O ATOM 318 CB LYS B 32 11.117 12.688 0.764 1.00 26.46 C ATOM 319 CG LYS B 32 11.246 14.128 0.286 1.00 46.94 C ATOM 320 CD LYS B 32 9.914 14.867 0.394 1.00 51.64 C ATOM 321 CE LYS B 32 9.504 15.097 1.836 1.00 60.91 C ATOM 322 NZ LYS B 32 10.424 16.066 2.495 1.00 71.29 N ATOM 323 HZ1 LYS B 32 11.393 15.690 2.476 1.00 0.00 H ATOM 324 HZ2 LYS B 32 10.393 16.973 1.987 1.00 0.00 H ATOM 325 HZ3 LYS B 32 10.126 16.209 3.481 1.00 0.00 H ATOM 326 H LYS B 32 11.106 10.134 1.177 1.00 0.00 H ATOM 327 N GLU B 33 13.845 11.735 2.112 1.00 33.31 N ATOM 328 CA GLU B 33 15.141 12.022 2.732 1.00 33.38 C ATOM 329 C GLU B 33 16.289 11.370 1.962 1.00 33.29 C ATOM 330 O GLU B 33 17.349 11.994 1.726 1.00 28.00 O ATOM 331 CB GLU B 33 15.128 11.545 4.183 1.00 31.70 C ATOM 332 CG GLU B 33 14.242 12.403 5.041 1.00 52.01 C ATOM 333 CD GLU B 33 14.659 13.866 4.976 1.00 68.86 C ATOM 334 OE1 GLU B 33 15.825 14.167 5.326 1.00 65.17 O ATOM 335 OE2 GLU B 33 13.830 14.707 4.554 1.00 73.70 O ATOM 336 H GLU B 33 13.130 11.190 2.635 1.00 0.00 H ATOM 337 N ILE B 34 16.108 10.099 1.581 1.00 25.85 N ATOM 338 CA ILE B 34 17.126 9.461 0.750 1.00 24.87 C ATOM 339 C ILE B 34 17.327 10.275 -0.520 1.00 27.23 C ATOM 340 O ILE B 34 18.460 10.560 -0.927 1.00 30.89 O ATOM 341 CB ILE B 34 16.743 7.996 0.451 1.00 31.21 C ATOM 342 CG1 ILE B 34 16.511 7.233 1.773 1.00 34.03 C ATOM 343 CG2 ILE B 34 17.825 7.336 -0.396 1.00 26.63 C ATOM 344 CD1 ILE B 34 15.911 5.826 1.625 1.00 25.72 C ATOM 345 H ILE B 34 15.258 9.575 1.872 1.00 0.00 H ATOM 346 N GLY B 35 16.222 10.717 -1.127 1.00 33.71 N ATOM 347 CA GLY B 35 16.319 11.517 -2.329 1.00 31.96 C ATOM 348 C GLY B 35 17.160 12.760 -2.126 1.00 33.65 C ATOM 349 O GLY B 35 17.961 13.118 -2.987 1.00 30.75 O ATOM 350 H GLY B 35 15.288 10.485 -0.734 1.00 0.00 H ATOM 351 N LYS B 36 17.000 13.432 -0.980 1.00 29.64 N ATOM 352 CA LYS B 36 17.795 14.635 -0.751 1.00 35.01 C ATOM 353 C LYS B 36 19.280 14.307 -0.695 1.00 35.12 C ATOM 354 O LYS B 36 20.102 15.049 -1.249 1.00 42.07 O ATOM 355 CB LYS B 36 17.355 15.348 0.528 1.00 43.32 C ATOM 356 CG LYS B 36 15.965 15.947 0.443 1.00 46.26 C ATOM 357 CD LYS B 36 15.528 16.507 1.792 1.00 67.76 C ATOM 358 CE LYS B 36 14.059 16.928 1.796 1.00 77.08 C ATOM 359 NZ LYS B 36 13.819 18.175 1.021 1.00 81.53 N ATOM 360 HZ1 LYS B 36 14.375 18.951 1.434 1.00 0.00 H ATOM 361 HZ2 LYS B 36 14.107 18.028 0.033 1.00 0.00 H ATOM 362 HZ3 LYS B 36 12.808 18.415 1.057 1.00 0.00 H ATOM 363 H LYS B 36 16.321 13.103 -0.264 1.00 0.00 H ATOM 364 N ALA B 37 19.654 13.202 -0.036 1.00 34.50 N ATOM 365 CA ALA B 37 21.078 12.851 -0.043 1.00 33.57 C ATOM 366 C ALA B 37 21.586 12.587 -1.464 1.00 39.57 C ATOM 367 O ALA B 37 22.676 13.055 -1.848 1.00 35.46 O ATOM 368 CB ALA B 37 21.338 11.640 0.860 1.00 31.60 C ATOM 369 H ALA B 37 18.958 12.613 0.464 1.00 0.00 H ATOM 370 N LYS B 38 20.811 11.844 -2.269 1.00 32.65 N ATOM 371 CA LYS B 38 21.252 11.581 -3.640 1.00 35.63 C ATOM 372 C LYS B 38 21.394 12.884 -4.414 1.00 34.27 C ATOM 373 O LYS B 38 22.406 13.117 -5.087 1.00 41.85 O ATOM 374 CB LYS B 38 20.284 10.621 -4.336 1.00 31.62 C ATOM 375 CG LYS B 38 20.251 9.230 -3.678 1.00 35.58 C ATOM 376 CD LYS B 38 19.257 8.267 -4.337 1.00 33.59 C ATOM 377 CE LYS B 38 17.799 8.740 -4.168 1.00 29.07 C ATOM 378 NZ LYS B 38 16.792 7.667 -4.574 1.00 27.43 N ATOM 379 HZ1 LYS B 38 16.937 7.418 -5.573 1.00 0.00 H ATOM 380 HZ2 LYS B 38 16.929 6.823 -3.982 1.00 0.00 H ATOM 381 HZ3 LYS B 38 15.827 8.032 -4.443 1.00 0.00 H ATOM 382 H LYS B 38 19.908 11.460 -1.923 1.00 0.00 H ATOM 383 N GLU B 39 20.393 13.760 -4.300 1.00 37.17 N ATOM 384 CA GLU B 39 20.444 15.079 -4.922 1.00 35.41 C ATOM 385 C GLU B 39 21.709 15.828 -4.534 1.00 41.83 C ATOM 386 O GLU B 39 22.381 16.429 -5.383 1.00 41.59 O ATOM 387 CB GLU B 39 19.214 15.885 -4.510 1.00 38.82 C ATOM 388 CG GLU B 39 19.248 17.330 -4.994 1.00 56.92 C ATOM 389 CD GLU B 39 17.981 18.099 -4.654 1.00 73.26 C ATOM 390 OE1 GLU B 39 17.020 17.491 -4.135 1.00 76.28 O ATOM 391 OE2 GLU B 39 17.949 19.320 -4.909 1.00 78.84 O ATOM 392 H GLU B 39 19.551 13.494 -3.751 1.00 0.00 H ATOM 393 N ALA B 40 22.039 15.821 -3.242 1.00 39.65 N ATOM 394 CA ALA B 40 23.224 16.536 -2.792 1.00 41.42 C ATOM 395 C ALA B 40 24.474 15.990 -3.461 1.00 40.04 C ATOM 396 O ALA B 40 25.433 16.739 -3.699 1.00 34.28 O ATOM 397 CB ALA B 40 23.348 16.442 -1.273 1.00 45.83 C ATOM 398 H ALA B 40 21.450 15.305 -2.557 1.00 0.00 H ATOM 399 N GLN B 41 24.495 14.692 -3.759 1.00 41.00 N ATOM 400 CA GLN B 41 25.678 14.105 -4.376 1.00 38.85 C ATOM 401 C GLN B 41 25.616 14.069 -5.901 1.00 41.85 C ATOM 402 O GLN B 41 26.570 13.598 -6.529 1.00 41.26 O ATOM 403 CB GLN B 41 25.905 12.692 -3.833 1.00 41.97 C ATOM 404 CG GLN B 41 26.084 12.647 -2.320 1.00 42.30 C ATOM 405 CD GLN B 41 26.250 11.240 -1.789 1.00 47.71 C ATOM 406 OE1 GLN B 41 25.271 10.521 -1.571 1.00 44.31 O ATOM 407 NE2 GLN B 41 27.489 10.843 -1.567 1.00 41.10 N ATOM 408 HE22 GLN B 41 28.284 11.484 -1.766 1.00 0.00 H ATOM 409 HE21 GLN B 41 27.670 9.890 -1.193 1.00 0.00 H ATOM 410 H GLN B 41 23.667 14.097 -3.551 1.00 0.00 H ATOM 411 N GLY B 42 24.541 14.569 -6.511 1.00 46.85 N ATOM 412 CA GLY B 42 24.394 14.463 -7.952 1.00 51.61 C ATOM 413 C GLY B 42 24.121 13.061 -8.450 1.00 41.72 C ATOM 414 O GLY B 42 24.345 12.774 -9.627 1.00 39.99 O ATOM 415 H GLY B 42 23.802 15.039 -5.950 1.00 0.00 H ATOM 416 N VAL B 43 23.638 12.184 -7.581 1.00 38.65 N ATOM 417 CA VAL B 43 23.428 10.769 -7.876 1.00 36.71 C ATOM 418 C VAL B 43 22.041 10.572 -8.472 1.00 35.68 C ATOM 419 O VAL B 43 21.059 11.139 -7.984 1.00 35.82 O ATOM 420 CB VAL B 43 23.606 9.934 -6.589 1.00 42.76 C ATOM 421 CG1 VAL B 43 23.083 8.518 -6.776 1.00 35.80 C ATOM 422 CG2 VAL B 43 25.075 9.934 -6.151 1.00 37.31 C ATOM 423 H VAL B 43 23.393 12.525 -6.629 1.00 0.00 H ATOM 424 N ASN B 44 21.947 9.753 -9.516 1.00 34.91 N ATOM 425 CA ASN B 44 20.647 9.447 -10.106 1.00 35.05 C ATOM 426 C ASN B 44 19.678 9.005 -9.018 1.00 34.29 C ATOM 427 O ASN B 44 20.014 8.140 -8.206 1.00 32.15 O ATOM 428 CB ASN B 44 20.800 8.338 -11.151 1.00 38.37 C ATOM 429 CG ASN B 44 19.725 8.384 -12.217 1.00 40.31 C ATOM 430 OD1 ASN B 44 19.797 9.188 -13.142 1.00 51.28 O ATOM 431 ND2 ASN B 44 18.726 7.519 -12.100 1.00 35.90 N ATOM 432 HD22 ASN B 44 18.704 6.855 -11.300 1.00 0.00 H ATOM 433 HD21 ASN B 44 17.965 7.505 -12.808 1.00 0.00 H ATOM 434 H ASN B 44 22.807 9.327 -9.916 1.00 0.00 H ATOM 435 N ARG B 45 18.472 9.599 -8.996 1.00 33.10 N ATOM 436 CA ARG B 45 17.481 9.188 -7.994 1.00 32.06 C ATOM 437 C ARG B 45 16.974 7.772 -8.239 1.00 31.32 C ATOM 438 O ARG B 45 16.642 7.061 -7.284 1.00 29.77 O ATOM 439 CB ARG B 45 16.263 10.122 -7.970 1.00 32.84 C ATOM 440 CG ARG B 45 16.558 11.586 -7.917 1.00 34.95 C ATOM 441 CD ARG B 45 17.319 11.999 -6.668 1.00 41.57 C ATOM 442 NE ARG B 45 17.372 13.456 -6.627 1.00 46.21 N ATOM 443 CZ ARG B 45 18.236 14.191 -7.314 1.00 47.04 C ATOM 444 NH1 ARG B 45 19.149 13.605 -8.083 1.00 47.26 N ATOM 445 NH2 ARG B 45 18.185 15.516 -7.231 1.00 51.52 N ATOM 446 HE ARG B 45 16.688 13.951 -6.020 1.00 0.00 H ATOM 447 HH12 ARG B 45 19.825 14.184 -8.621 1.00 0.00 H ATOM 448 HH11 ARG B 45 19.187 12.568 -8.147 1.00 0.00 H ATOM 449 HH22 ARG B 45 18.860 16.097 -7.768 1.00 0.00 H ATOM 450 HH21 ARG B 45 17.470 15.972 -6.629 1.00 0.00 H ATOM 451 H ARG B 45 18.243 10.344 -9.684 1.00 0.00 H ATOM 452 N PHE B 46 16.869 7.359 -9.495 1.00 32.12 N ATOM 453 CA PHE B 46 16.367 6.027 -9.805 1.00 29.73 C ATOM 454 C PHE B 46 17.487 5.012 -9.638 1.00 29.55 C ATOM 455 O PHE B 46 18.532 5.124 -10.292 1.00 30.35 O ATOM 456 CB PHE B 46 15.811 5.994 -11.222 1.00 30.43 C ATOM 457 CG PHE B 46 15.368 4.632 -11.665 1.00 30.02 C ATOM 458 CD1 PHE B 46 14.557 3.858 -10.861 1.00 28.99 C ATOM 459 CD2 PHE B 46 15.759 4.125 -12.904 1.00 47.12 C ATOM 460 CE1 PHE B 46 14.133 2.608 -11.275 1.00 34.83 C ATOM 461 CE2 PHE B 46 15.344 2.873 -13.321 1.00 37.33 C ATOM 462 CZ PHE B 46 14.527 2.112 -12.502 1.00 33.28 C ATOM 463 H PHE B 46 17.149 7.995 -10.269 1.00 0.00 H ATOM 464 N ASP B 47 17.266 4.024 -8.768 1.00 28.80 N ATOM 465 CA ASP B 47 18.253 2.992 -8.435 1.00 29.07 C ATOM 466 C ASP B 47 17.563 1.652 -8.653 1.00 31.80 C ATOM 467 O ASP B 47 16.918 1.117 -7.741 1.00 32.18 O ATOM 468 CB ASP B 47 18.756 3.156 -6.991 1.00 29.09 C ATOM 469 CG ASP B 47 19.814 2.126 -6.601 1.00 35.61 C ATOM 470 OD1 ASP B 47 20.049 1.190 -7.392 1.00 30.34 O ATOM 471 OD2 ASP B 47 20.401 2.241 -5.489 1.00 30.38 O ATOM 472 H ASP B 47 16.339 3.984 -8.299 1.00 0.00 H ATOM 473 N PRO B 48 17.643 1.084 -9.860 1.00 32.29 N ATOM 474 CA PRO B 48 16.942 -0.191 -10.091 1.00 33.71 C ATOM 475 C PRO B 48 17.509 -1.348 -9.286 1.00 30.40 C ATOM 476 O PRO B 48 16.754 -2.272 -8.956 1.00 30.63 O ATOM 477 CB PRO B 48 17.088 -0.421 -11.605 1.00 31.01 C ATOM 478 CG PRO B 48 18.244 0.422 -12.014 1.00 38.73 C ATOM 479 CD PRO B 48 18.273 1.611 -11.079 1.00 34.89 C ATOM 480 N VAL B 49 18.806 -1.333 -8.962 1.00 31.14 N ATOM 481 CA VAL B 49 19.359 -2.362 -8.079 1.00 32.14 C ATOM 482 C VAL B 49 18.599 -2.372 -6.755 1.00 32.54 C ATOM 483 O VAL B 49 18.213 -3.428 -6.241 1.00 31.89 O ATOM 484 CB VAL B 49 20.870 -2.134 -7.855 1.00 39.27 C ATOM 485 CG1 VAL B 49 21.380 -3.015 -6.742 1.00 39.33 C ATOM 486 CG2 VAL B 49 21.662 -2.387 -9.129 1.00 37.84 C ATOM 487 H VAL B 49 19.425 -0.587 -9.339 1.00 0.00 H ATOM 488 N ARG B 50 18.380 -1.181 -6.188 1.00 33.17 N ATOM 489 CA ARG B 50 17.675 -1.049 -4.918 1.00 29.48 C ATOM 490 C ARG B 50 16.204 -1.456 -5.041 1.00 28.62 C ATOM 491 O ARG B 50 15.656 -2.108 -4.141 1.00 28.71 O ATOM 492 CB ARG B 50 17.810 0.403 -4.418 1.00 29.67 C ATOM 493 CG ARG B 50 16.885 0.810 -3.248 1.00 28.37 C ATOM 494 CD ARG B 50 17.258 0.105 -1.928 1.00 29.36 C ATOM 495 NE ARG B 50 16.304 0.489 -0.890 1.00 28.97 N ATOM 496 CZ ARG B 50 16.094 -0.197 0.225 1.00 40.63 C ATOM 497 NH1 ARG B 50 16.788 -1.306 0.463 1.00 31.00 N ATOM 498 NH2 ARG B 50 15.203 0.236 1.108 1.00 33.05 N ATOM 499 HE ARG B 50 15.753 1.359 -1.036 1.00 0.00 H ATOM 500 HH12 ARG B 50 16.624 -1.845 1.337 1.00 0.00 H ATOM 501 HH11 ARG B 50 17.495 -1.635 -0.225 1.00 0.00 H ATOM 502 HH22 ARG B 50 15.036 -0.300 1.984 1.00 0.00 H ATOM 503 HH21 ARG B 50 14.672 1.111 0.924 1.00 0.00 H ATOM 504 H ARG B 50 18.722 -0.324 -6.667 1.00 0.00 H ATOM 505 N GLU B 51 15.525 -1.052 -6.125 1.00 28.01 N ATOM 506 CA GLU B 51 14.128 -1.452 -6.261 1.00 27.45 C ATOM 507 C GLU B 51 14.010 -2.968 -6.367 1.00 31.27 C ATOM 508 O GLU B 51 13.104 -3.576 -5.780 1.00 30.21 O ATOM 509 CB GLU B 51 13.483 -0.774 -7.469 1.00 27.16 C ATOM 510 CG GLU B 51 13.232 0.707 -7.240 1.00 36.73 C ATOM 511 CD GLU B 51 12.310 1.313 -8.289 1.00 29.23 C ATOM 512 OE1 GLU B 51 11.954 0.615 -9.261 1.00 32.78 O ATOM 513 OE2 GLU B 51 11.936 2.487 -8.126 1.00 31.83 O ATOM 514 H GLU B 51 15.984 -0.467 -6.852 1.00 0.00 H ATOM 515 N ARG B 52 14.924 -3.588 -7.105 1.00 29.77 N ATOM 516 CA ARG B 52 14.925 -5.043 -7.232 1.00 36.01 C ATOM 517 C ARG B 52 15.226 -5.719 -5.896 1.00 43.19 C ATOM 518 O ARG B 52 14.661 -6.778 -5.593 1.00 33.12 O ATOM 519 CB ARG B 52 15.927 -5.451 -8.306 1.00 33.01 C ATOM 520 CG ARG B 52 15.920 -6.939 -8.682 1.00 49.98 C ATOM 521 CD ARG B 52 14.567 -7.374 -9.248 1.00 62.34 C ATOM 522 NE ARG B 52 14.325 -6.892 -10.609 1.00 76.87 N ATOM 523 CZ ARG B 52 14.963 -7.335 -11.694 1.00 89.77 C ATOM 524 NH1 ARG B 52 15.909 -8.262 -11.590 1.00 93.80 N ATOM 525 NH2 ARG B 52 14.660 -6.845 -12.891 1.00 87.02 N ATOM 526 HE ARG B 52 13.605 -6.153 -10.739 1.00 0.00 H ATOM 527 HH12 ARG B 52 16.401 -8.601 -12.441 1.00 0.00 H ATOM 528 HH11 ARG B 52 16.158 -8.649 -10.657 1.00 0.00 H ATOM 529 HH22 ARG B 52 15.158 -7.191 -13.736 1.00 0.00 H ATOM 530 HH21 ARG B 52 13.925 -6.115 -12.983 1.00 0.00 H ATOM 531 H ARG B 52 15.649 -3.030 -7.599 1.00 0.00 H ATOM 532 N THR B 53 16.090 -5.111 -5.070 1.00 31.95 N ATOM 533 CA THR B 53 16.325 -5.648 -3.729 1.00 40.65 C ATOM 534 C THR B 53 15.069 -5.551 -2.863 1.00 31.84 C ATOM 535 O THR B 53 14.688 -6.517 -2.181 1.00 32.95 O ATOM 536 CB THR B 53 17.493 -4.917 -3.059 1.00 36.95 C ATOM 537 OG1 THR B 53 18.687 -5.155 -3.803 1.00 41.10 O ATOM 538 CG2 THR B 53 17.687 -5.417 -1.637 1.00 36.14 C ATOM 539 HG1 THR B 53 18.571 -4.819 -4.727 1.00 0.00 H ATOM 540 H THR B 53 16.594 -4.257 -5.383 1.00 0.00 H ATOM 541 N MET B 54 14.417 -4.379 -2.870 1.00 32.18 N ATOM 542 CA MET B 54 13.195 -4.201 -2.087 1.00 34.37 C ATOM 543 C MET B 54 12.138 -5.222 -2.491 1.00 35.54 C ATOM 544 O MET B 54 11.497 -5.851 -1.635 1.00 34.68 O ATOM 545 CB MET B 54 12.652 -2.770 -2.261 1.00 27.43 C ATOM 546 CG MET B 54 13.467 -1.674 -1.569 1.00 27.47 C ATOM 547 SD MET B 54 12.679 -0.040 -1.740 1.00 32.90 S ATOM 548 CE MET B 54 12.782 0.190 -3.524 1.00 25.94 C ATOM 549 H MET B 54 14.784 -3.589 -3.438 1.00 0.00 H ATOM 550 N LEU B 55 11.947 -5.397 -3.806 1.00 29.26 N ATOM 551 CA LEU B 55 10.962 -6.350 -4.308 1.00 29.86 C ATOM 552 C LEU B 55 11.301 -7.772 -3.891 1.00 32.00 C ATOM 553 O LEU B 55 10.407 -8.551 -3.539 1.00 32.61 O ATOM 554 CB LEU B 55 10.865 -6.252 -5.833 1.00 38.82 C ATOM 555 CG LEU B 55 10.110 -5.017 -6.319 1.00 37.66 C ATOM 556 CD1 LEU B 55 10.206 -4.840 -7.845 1.00 38.33 C ATOM 557 CD2 LEU B 55 8.646 -5.077 -5.855 1.00 39.14 C ATOM 558 H LEU B 55 12.511 -4.843 -4.482 1.00 0.00 H ATOM 559 N ASN B 56 12.584 -8.149 -3.968 1.00 33.50 N ATOM 560 CA ASN B 56 12.970 -9.478 -3.508 1.00 38.51 C ATOM 561 C ASN B 56 12.581 -9.679 -2.046 1.00 36.30 C ATOM 562 O ASN B 56 12.020 -10.718 -1.676 1.00 37.89 O ATOM 563 CB ASN B 56 14.467 -9.691 -3.717 1.00 44.20 C ATOM 564 CG ASN B 56 14.828 -9.883 -5.179 1.00 60.70 C ATOM 565 OD1 ASN B 56 13.947 -9.988 -6.036 1.00 57.88 O ATOM 566 ND2 ASN B 56 16.130 -9.944 -5.471 1.00 62.53 N ATOM 567 HD22 ASN B 56 16.838 -9.850 -4.715 1.00 0.00 H ATOM 568 HD21 ASN B 56 16.436 -10.085 -6.455 1.00 0.00 H ATOM 569 H ASN B 56 13.299 -7.499 -4.353 1.00 0.00 H ATOM 570 N ASN B 57 12.871 -8.684 -1.201 1.00 34.99 N ATOM 571 CA ASN B 57 12.483 -8.751 0.205 1.00 35.84 C ATOM 572 C ASN B 57 10.972 -8.931 0.355 1.00 38.99 C ATOM 573 O ASN B 57 10.502 -9.706 1.206 1.00 35.68 O ATOM 574 CB ASN B 57 12.966 -7.479 0.910 1.00 40.64 C ATOM 575 CG ASN B 57 12.579 -7.427 2.380 1.00 56.74 C ATOM 576 OD1 ASN B 57 11.876 -6.509 2.813 1.00 64.76 O ATOM 577 ND2 ASN B 57 13.046 -8.406 3.159 1.00 49.82 N ATOM 578 HD22 ASN B 57 13.635 -9.159 2.750 1.00 0.00 H ATOM 579 HD21 ASN B 57 12.821 -8.415 4.174 1.00 0.00 H ATOM 580 H ASN B 57 13.382 -7.848 -1.551 1.00 0.00 H ATOM 581 N ILE B 58 10.199 -8.242 -0.485 1.00 32.34 N ATOM 582 CA ILE B 58 8.742 -8.250 -0.370 1.00 31.39 C ATOM 583 C ILE B 58 8.169 -9.593 -0.813 1.00 33.06 C ATOM 584 O ILE B 58 7.343 -10.200 -0.112 1.00 33.73 O ATOM 585 CB ILE B 58 8.150 -7.090 -1.193 1.00 33.31 C ATOM 586 CG1 ILE B 58 8.420 -5.743 -0.515 1.00 28.00 C ATOM 587 CG2 ILE B 58 6.656 -7.318 -1.482 1.00 28.86 C ATOM 588 CD1 ILE B 58 8.243 -4.575 -1.480 1.00 27.61 C ATOM 589 H ILE B 58 10.644 -7.684 -1.242 1.00 0.00 H ATOM 590 N ILE B 59 8.594 -10.074 -1.987 1.00 34.39 N ATOM 591 CA ILE B 59 8.116 -11.365 -2.492 1.00 37.11 C ATOM 592 C ILE B 59 8.493 -12.500 -1.548 1.00 43.69 C ATOM 593 O ILE B 59 7.677 -13.388 -1.270 1.00 40.26 O ATOM 594 CB ILE B 59 8.647 -11.622 -3.910 1.00 40.69 C ATOM 595 CG1 ILE B 59 8.103 -10.572 -4.868 1.00 41.77 C ATOM 596 CG2 ILE B 59 8.256 -13.031 -4.383 1.00 46.35 C ATOM 597 CD1 ILE B 59 6.605 -10.458 -4.823 1.00 42.74 C ATOM 598 H ILE B 59 9.274 -9.524 -2.550 1.00 0.00 H ATOM 599 N GLU B 60 9.743 -12.513 -1.069 1.00 51.85 N ATOM 600 CA GLU B 60 10.170 -13.554 -0.137 1.00 42.89 C ATOM 601 C GLU B 60 9.206 -13.684 1.030 1.00 48.14 C ATOM 602 O GLU B 60 9.035 -14.774 1.585 1.00 45.53 O ATOM 603 CB GLU B 60 11.561 -13.246 0.410 1.00 58.75 C ATOM 604 CG GLU B 60 12.710 -13.417 -0.557 1.00 73.72 C ATOM 605 CD GLU B 60 14.025 -12.978 0.062 1.00 86.46 C ATOM 606 OE1 GLU B 60 14.001 -12.462 1.204 1.00 89.72 O ATOM 607 OE2 GLU B 60 15.080 -13.146 -0.587 1.00 94.52 O ATOM 608 H GLU B 60 10.416 -11.776 -1.363 1.00 0.00 H ATOM 609 N ASN B 61 8.582 -12.578 1.423 1.00 39.83 N ATOM 610 CA ASN B 61 7.695 -12.532 2.573 1.00 44.26 C ATOM 611 C ASN B 61 6.227 -12.622 2.191 1.00 44.46 C ATOM 612 O ASN B 61 5.369 -12.473 3.066 1.00 37.95 O ATOM 613 CB ASN B 61 7.929 -11.242 3.372 1.00 40.03 C ATOM 614 CG ASN B 61 9.179 -11.299 4.238 1.00 39.48 C ATOM 615 OD1 ASN B 61 9.128 -11.722 5.394 1.00 51.31 O ATOM 616 ND2 ASN B 61 10.305 -10.869 3.684 1.00 39.27 N ATOM 617 HD22 ASN B 61 10.302 -10.520 2.704 1.00 0.00 H ATOM 618 HD21 ASN B 61 11.190 -10.881 4.229 1.00 0.00 H ATOM 619 H ASN B 61 8.736 -11.704 0.881 1.00 0.00 H ATOM 620 N ASN B 62 5.911 -12.840 0.914 1.00 47.61 N ATOM 621 CA ASN B 62 4.517 -12.841 0.464 1.00 39.82 C ATOM 622 C ASN B 62 3.916 -14.226 0.622 1.00 50.49 C ATOM 623 O ASN B 62 4.074 -15.082 -0.250 1.00 48.99 O ATOM 624 CB ASN B 62 4.375 -12.409 -0.985 1.00 35.97 C ATOM 625 CG ASN B 62 2.926 -12.465 -1.442 1.00 35.24 C ATOM 626 OD1 ASN B 62 2.019 -12.323 -0.630 1.00 38.24 O ATOM 627 ND2 ASN B 62 2.704 -12.682 -2.731 1.00 37.16 N ATOM 628 HD22 ASN B 62 3.505 -12.797 -3.385 1.00 0.00 H ATOM 629 HD21 ASN B 62 1.729 -12.738 -3.089 1.00 0.00 H ATOM 630 H ASN B 62 6.669 -13.013 0.224 1.00 0.00 H ATOM 631 N ASP B 63 3.191 -14.434 1.717 1.00 49.21 N ATOM 632 CA ASP B 63 2.367 -15.620 1.884 1.00 54.35 C ATOM 633 C ASP B 63 0.880 -15.295 1.917 1.00 57.76 C ATOM 634 O ASP B 63 0.067 -16.209 2.093 1.00 61.06 O ATOM 635 CB ASP B 63 2.770 -16.368 3.156 1.00 65.17 C ATOM 636 CG ASP B 63 2.844 -15.459 4.361 1.00 77.04 C ATOM 637 OD1 ASP B 63 2.135 -14.429 4.375 1.00 79.90 O ATOM 638 OD2 ASP B 63 3.619 -15.770 5.291 1.00 84.96 O ATOM 639 H ASP B 63 3.214 -13.726 2.478 1.00 0.00 H ATOM 640 N GLY B 64 0.504 -14.021 1.750 1.00 50.62 N ATOM 641 CA GLY B 64 -0.885 -13.605 1.731 1.00 34.57 C ATOM 642 C GLY B 64 -1.630 -14.187 0.545 1.00 50.95 C ATOM 643 O GLY B 64 -1.114 -15.051 -0.173 1.00 48.90 O ATOM 644 H GLY B 64 1.241 -13.297 1.628 1.00 0.00 H ATOM 645 N PRO B 65 -2.862 -13.716 0.306 1.00 39.63 N ATOM 646 CA PRO B 65 -3.702 -14.341 -0.725 1.00 38.77 C ATOM 647 C PRO B 65 -3.434 -13.833 -2.126 1.00 34.01 C ATOM 648 O PRO B 65 -4.009 -14.375 -3.074 1.00 42.18 O ATOM 649 CB PRO B 65 -5.125 -13.965 -0.284 1.00 36.91 C ATOM 650 CG PRO B 65 -4.940 -12.594 0.301 1.00 34.77 C ATOM 651 CD PRO B 65 -3.546 -12.582 0.953 1.00 40.40 C ATOM 652 N PHE B 66 -2.608 -12.804 -2.283 1.00 33.99 N ATOM 653 CA PHE B 66 -2.347 -12.209 -3.587 1.00 37.93 C ATOM 654 C PHE B 66 -1.165 -12.896 -4.251 1.00 42.81 C ATOM 655 O PHE B 66 -0.186 -13.245 -3.586 1.00 33.51 O ATOM 656 CB PHE B 66 -2.061 -10.711 -3.449 1.00 30.17 C ATOM 657 CG PHE B 66 -3.267 -9.901 -3.052 1.00 29.38 C ATOM 658 CD1 PHE B 66 -4.333 -9.758 -3.936 1.00 29.64 C ATOM 659 CD2 PHE B 66 -3.349 -9.299 -1.802 1.00 37.93 C ATOM 660 CE1 PHE B 66 -5.451 -9.010 -3.586 1.00 32.21 C ATOM 661 CE2 PHE B 66 -4.479 -8.548 -1.436 1.00 33.23 C ATOM 662 CZ PHE B 66 -5.525 -8.405 -2.333 1.00 31.32 C ATOM 663 H PHE B 66 -2.132 -12.410 -1.447 1.00 0.00 H ATOM 664 N GLU B 67 -1.258 -13.070 -5.569 1.00 38.90 N ATOM 665 CA GLU B 67 -0.133 -13.610 -6.319 1.00 40.16 C ATOM 666 C GLU B 67 1.046 -12.646 -6.274 1.00 45.68 C ATOM 667 O GLU B 67 0.900 -11.446 -6.006 1.00 33.01 O ATOM 668 CB GLU B 67 -0.521 -13.873 -7.770 1.00 50.49 C ATOM 669 CG GLU B 67 -1.567 -14.942 -7.958 1.00 58.88 C ATOM 670 CD GLU B 67 -1.966 -15.077 -9.410 1.00 75.95 C ATOM 671 OE1 GLU B 67 -1.646 -14.157 -10.195 1.00 72.06 O ATOM 672 OE2 GLU B 67 -2.591 -16.100 -9.767 1.00 84.29 O ATOM 673 H GLU B 67 -2.138 -12.819 -6.064 1.00 0.00 H ATOM 674 N ASN B 68 2.235 -13.188 -6.555 1.00 43.40 N ATOM 675 CA ASN B 68 3.440 -12.369 -6.505 1.00 36.23 C ATOM 676 C ASN B 68 3.395 -11.244 -7.530 1.00 38.91 C ATOM 677 O ASN B 68 3.906 -10.147 -7.277 1.00 37.81 O ATOM 678 CB ASN B 68 4.687 -13.235 -6.717 1.00 38.87 C ATOM 679 CG ASN B 68 5.012 -14.106 -5.520 1.00 45.94 C ATOM 680 OD1 ASN B 68 4.659 -13.782 -4.390 1.00 38.52 O ATOM 681 ND2 ASN B 68 5.702 -15.225 -5.764 1.00 42.95 N ATOM 682 HD22 ASN B 68 5.981 -15.462 -6.737 1.00 0.00 H ATOM 683 HD21 ASN B 68 5.959 -15.859 -4.980 1.00 0.00 H ATOM 684 H ASN B 68 2.301 -14.194 -6.809 1.00 0.00 H ATOM 685 N SER B 69 2.811 -11.495 -8.706 1.00 36.58 N ATOM 686 CA SER B 69 2.759 -10.440 -9.717 1.00 36.31 C ATOM 687 C SER B 69 1.836 -9.314 -9.276 1.00 34.06 C ATOM 688 O SER B 69 2.121 -8.136 -9.519 1.00 39.85 O ATOM 689 CB SER B 69 2.316 -11.007 -11.068 1.00 38.65 C ATOM 690 OG SER B 69 1.121 -11.752 -10.945 1.00 38.83 O ATOM 691 HG SER B 69 0.403 -11.166 -10.598 1.00 0.00 H ATOM 692 H SER B 69 2.398 -12.430 -8.900 1.00 0.00 H ATOM 693 N THR B 70 0.728 -9.660 -8.620 1.00 33.29 N ATOM 694 CA THR B 70 -0.168 -8.638 -8.089 1.00 37.83 C ATOM 695 C THR B 70 0.558 -7.746 -7.084 1.00 39.40 C ATOM 696 O THR B 70 0.514 -6.509 -7.173 1.00 29.28 O ATOM 697 CB THR B 70 -1.379 -9.313 -7.442 1.00 34.43 C ATOM 698 OG1 THR B 70 -1.960 -10.242 -8.370 1.00 38.24 O ATOM 699 CG2 THR B 70 -2.411 -8.270 -7.045 1.00 30.38 C ATOM 700 HG1 THR B 70 -2.744 -10.679 -7.951 1.00 0.00 H ATOM 701 H THR B 70 0.501 -10.666 -8.486 1.00 0.00 H ATOM 702 N ILE B 71 1.232 -8.371 -6.113 1.00 31.59 N ATOM 703 CA ILE B 71 1.996 -7.627 -5.111 1.00 29.12 C ATOM 704 C ILE B 71 3.056 -6.764 -5.787 1.00 30.58 C ATOM 705 O ILE B 71 3.234 -5.584 -5.455 1.00 30.30 O ATOM 706 CB ILE B 71 2.627 -8.607 -4.101 1.00 29.93 C ATOM 707 CG1 ILE B 71 1.549 -9.265 -3.222 1.00 36.30 C ATOM 708 CG2 ILE B 71 3.745 -7.916 -3.300 1.00 29.69 C ATOM 709 CD1 ILE B 71 0.557 -8.280 -2.538 1.00 30.50 C ATOM 710 H ILE B 71 1.213 -9.410 -6.069 1.00 0.00 H ATOM 711 N GLN B 72 3.774 -7.341 -6.755 1.00 30.51 N ATOM 712 CA GLN B 72 4.801 -6.589 -7.467 1.00 39.72 C ATOM 713 C GLN B 72 4.219 -5.346 -8.126 1.00 29.99 C ATOM 714 O GLN B 72 4.800 -4.260 -8.050 1.00 31.37 O ATOM 715 CB GLN B 72 5.476 -7.477 -8.513 1.00 39.71 C ATOM 716 CG GLN B 72 6.574 -6.773 -9.277 1.00 45.21 C ATOM 717 CD GLN B 72 7.317 -7.698 -10.222 1.00 55.68 C ATOM 718 OE1 GLN B 72 6.777 -8.700 -10.687 1.00 68.96 O ATOM 719 NE2 GLN B 72 8.565 -7.366 -10.506 1.00 59.02 N ATOM 720 HE22 GLN B 72 8.983 -6.509 -10.090 1.00 0.00 H ATOM 721 HE21 GLN B 72 9.129 -7.962 -11.145 1.00 0.00 H ATOM 722 H GLN B 72 3.599 -8.336 -7.003 1.00 0.00 H ATOM 723 N HIS B 73 3.073 -5.489 -8.785 1.00 32.96 N ATOM 724 CA HIS B 73 2.461 -4.349 -9.457 1.00 36.93 C ATOM 725 C HIS B 73 2.094 -3.245 -8.462 1.00 31.05 C ATOM 726 O HIS B 73 2.384 -2.059 -8.688 1.00 34.16 O ATOM 727 CB HIS B 73 1.229 -4.810 -10.232 1.00 35.24 C ATOM 728 CG HIS B 73 0.381 -3.680 -10.724 1.00 40.15 C ATOM 729 ND1 HIS B 73 0.775 -2.842 -11.744 1.00 51.55 N ATOM 730 CD2 HIS B 73 -0.833 -3.236 -10.320 1.00 42.50 C ATOM 731 CE1 HIS B 73 -0.165 -1.938 -11.960 1.00 48.98 C ATOM 732 NE2 HIS B 73 -1.153 -2.157 -11.111 1.00 49.08 N ATOM 733 H HIS B 73 2.610 -6.420 -8.821 1.00 0.00 H ATOM 734 N ILE B 74 1.440 -3.612 -7.352 1.00 32.59 N ATOM 735 CA ILE B 74 1.064 -2.587 -6.376 1.00 30.96 C ATOM 736 C ILE B 74 2.310 -1.885 -5.845 1.00 26.15 C ATOM 737 O ILE B 74 2.371 -0.649 -5.759 1.00 25.80 O ATOM 738 CB ILE B 74 0.234 -3.202 -5.228 1.00 26.52 C ATOM 739 CG1 ILE B 74 -1.081 -3.793 -5.742 1.00 27.26 C ATOM 740 CG2 ILE B 74 -0.038 -2.164 -4.126 1.00 34.69 C ATOM 741 CD1 ILE B 74 -1.851 -4.582 -4.685 1.00 27.18 C ATOM 742 H ILE B 74 1.203 -4.611 -7.186 1.00 0.00 H ATOM 743 N PHE B 75 3.326 -2.663 -5.465 1.00 26.28 N ATOM 744 CA PHE B 75 4.493 -2.011 -4.890 1.00 25.93 C ATOM 745 C PHE B 75 5.244 -1.188 -5.921 1.00 27.18 C ATOM 746 O PHE B 75 5.863 -0.188 -5.560 1.00 25.60 O ATOM 747 CB PHE B 75 5.406 -3.029 -4.219 1.00 26.59 C ATOM 748 CG PHE B 75 5.030 -3.276 -2.789 1.00 29.30 C ATOM 749 CD1 PHE B 75 5.472 -2.412 -1.784 1.00 26.31 C ATOM 750 CD2 PHE B 75 4.175 -4.312 -2.449 1.00 28.33 C ATOM 751 CE1 PHE B 75 5.110 -2.627 -0.460 1.00 28.60 C ATOM 752 CE2 PHE B 75 3.819 -4.524 -1.111 1.00 28.06 C ATOM 753 CZ PHE B 75 4.290 -3.676 -0.126 1.00 27.22 C ATOM 754 H PHE B 75 3.285 -3.696 -5.576 1.00 0.00 H ATOM 755 N LYS B 76 5.198 -1.571 -7.198 1.00 27.00 N ATOM 756 CA LYS B 76 5.829 -0.736 -8.217 1.00 34.25 C ATOM 757 C LYS B 76 5.092 0.587 -8.359 1.00 28.26 C ATOM 758 O LYS B 76 5.720 1.629 -8.570 1.00 30.46 O ATOM 759 CB LYS B 76 5.903 -1.468 -9.562 1.00 35.08 C ATOM 760 CG LYS B 76 6.990 -2.531 -9.615 1.00 41.09 C ATOM 761 CD LYS B 76 7.054 -3.137 -10.994 1.00 56.28 C ATOM 762 CE LYS B 76 8.213 -4.096 -11.135 1.00 59.95 C ATOM 763 NZ LYS B 76 8.173 -4.750 -12.470 1.00 74.49 N ATOM 764 HZ1 LYS B 76 7.280 -5.274 -12.571 1.00 0.00 H ATOM 765 HZ2 LYS B 76 8.237 -4.024 -13.212 1.00 0.00 H ATOM 766 HZ3 LYS B 76 8.974 -5.407 -12.557 1.00 0.00 H ATOM 767 H LYS B 76 4.718 -2.454 -7.465 1.00 0.00 H ATOM 768 N GLU B 77 3.766 0.584 -8.211 1.00 30.96 N ATOM 769 CA GLU B 77 3.063 1.871 -8.153 1.00 28.04 C ATOM 770 C GLU B 77 3.541 2.717 -6.967 1.00 27.80 C ATOM 771 O GLU B 77 3.784 3.929 -7.105 1.00 26.20 O ATOM 772 CB GLU B 77 1.556 1.643 -8.080 1.00 33.69 C ATOM 773 CG GLU B 77 0.976 0.892 -9.273 1.00 36.15 C ATOM 774 CD GLU B 77 0.889 1.744 -10.527 1.00 49.43 C ATOM 775 OE1 GLU B 77 1.187 2.958 -10.458 1.00 49.05 O ATOM 776 OE2 GLU B 77 0.514 1.195 -11.582 1.00 63.92 O ATOM 777 H GLU B 77 3.242 -0.311 -8.138 1.00 0.00 H ATOM 778 N ILE B 78 3.679 2.093 -5.786 1.00 30.00 N ATOM 779 CA ILE B 78 4.165 2.817 -4.601 1.00 28.73 C ATOM 780 C ILE B 78 5.581 3.361 -4.835 1.00 32.80 C ATOM 781 O ILE B 78 5.878 4.539 -4.552 1.00 25.28 O ATOM 782 CB ILE B 78 4.081 1.906 -3.355 1.00 24.65 C ATOM 783 CG1 ILE B 78 2.596 1.706 -2.983 1.00 24.95 C ATOM 784 CG2 ILE B 78 4.870 2.487 -2.171 1.00 24.67 C ATOM 785 CD1 ILE B 78 2.304 0.719 -1.845 1.00 25.13 C ATOM 786 H ILE B 78 3.439 1.084 -5.708 1.00 0.00 H ATOM 787 N PHE B 79 6.477 2.509 -5.361 1.00 25.98 N ATOM 788 CA PHE B 79 7.853 2.921 -5.625 1.00 25.27 C ATOM 789 C PHE B 79 7.874 4.094 -6.577 1.00 31.97 C ATOM 790 O PHE B 79 8.586 5.080 -6.358 1.00 33.48 O ATOM 791 CB PHE B 79 8.675 1.780 -6.255 1.00 25.78 C ATOM 792 CG PHE B 79 8.889 0.591 -5.375 1.00 27.61 C ATOM 793 CD1 PHE B 79 8.556 0.604 -4.036 1.00 26.78 C ATOM 794 CD2 PHE B 79 9.488 -0.551 -5.905 1.00 36.16 C ATOM 795 CE1 PHE B 79 8.785 -0.524 -3.236 1.00 27.03 C ATOM 796 CE2 PHE B 79 9.724 -1.676 -5.118 1.00 40.72 C ATOM 797 CZ PHE B 79 9.373 -1.667 -3.790 1.00 27.67 C ATOM 798 H PHE B 79 6.185 1.536 -5.585 1.00 0.00 H ATOM 799 N LYS B 80 7.118 3.981 -7.668 1.00 28.86 N ATOM 800 CA LYS B 80 7.097 5.042 -8.661 1.00 26.50 C ATOM 801 C LYS B 80 6.652 6.355 -8.034 1.00 33.16 C ATOM 802 O LYS B 80 7.222 7.408 -8.334 1.00 28.78 O ATOM 803 CB LYS B 80 6.188 4.653 -9.831 1.00 27.79 C ATOM 804 CG LYS B 80 5.942 5.784 -10.822 1.00 37.77 C ATOM 805 CD LYS B 80 5.005 5.374 -11.969 1.00 60.24 C ATOM 806 CE LYS B 80 5.456 4.079 -12.649 1.00 71.07 C ATOM 807 NZ LYS B 80 4.772 2.849 -12.119 1.00 72.17 N ATOM 808 HZ1 LYS B 80 4.973 2.753 -11.103 1.00 0.00 H ATOM 809 HZ2 LYS B 80 3.746 2.935 -12.264 1.00 0.00 H ATOM 810 HZ3 LYS B 80 5.126 2.012 -12.625 1.00 0.00 H ATOM 811 H LYS B 80 6.539 3.129 -7.810 1.00 0.00 H ATOM 812 N ALA B 81 5.642 6.325 -7.151 1.00 29.20 N ATOM 813 CA ALA B 81 5.196 7.587 -6.544 1.00 32.86 C ATOM 814 C ALA B 81 6.297 8.206 -5.683 1.00 38.96 C ATOM 815 O ALA B 81 6.553 9.418 -5.757 1.00 35.41 O ATOM 816 CB ALA B 81 3.935 7.374 -5.709 1.00 29.96 C ATOM 817 H ALA B 81 5.183 5.426 -6.901 1.00 0.00 H ATOM 818 N GLY B 82 6.960 7.390 -4.849 1.00 32.99 N ATOM 819 CA GLY B 82 8.045 7.934 -4.037 1.00 32.04 C ATOM 820 C GLY B 82 9.198 8.468 -4.875 1.00 24.75 C ATOM 821 O GLY B 82 9.805 9.504 -4.552 1.00 29.12 O ATOM 822 H GLY B 82 6.705 6.384 -4.782 1.00 0.00 H ATOM 823 N LEU B 83 9.516 7.766 -5.961 1.00 24.86 N ATOM 824 CA LEU B 83 10.587 8.190 -6.861 1.00 25.25 C ATOM 825 C LEU B 83 10.243 9.514 -7.537 1.00 31.06 C ATOM 826 O LEU B 83 11.084 10.415 -7.646 1.00 30.66 O ATOM 827 CB LEU B 83 10.840 7.092 -7.900 1.00 30.81 C ATOM 828 CG LEU B 83 11.863 7.336 -9.009 1.00 40.14 C ATOM 829 CD1 LEU B 83 13.242 7.674 -8.445 1.00 27.81 C ATOM 830 CD2 LEU B 83 11.920 6.120 -9.920 1.00 37.05 C ATOM 831 H LEU B 83 8.990 6.895 -6.174 1.00 0.00 H ATOM 832 N GLU B 84 9.013 9.632 -8.031 1.00 29.54 N ATOM 833 CA GLU B 84 8.570 10.899 -8.594 1.00 35.65 C ATOM 834 C GLU B 84 8.725 12.011 -7.572 1.00 33.53 C ATOM 835 O GLU B 84 9.196 13.108 -7.899 1.00 36.67 O ATOM 836 CB GLU B 84 7.120 10.785 -9.061 1.00 38.59 C ATOM 837 CG GLU B 84 6.976 10.034 -10.370 1.00 52.08 C ATOM 838 CD GLU B 84 5.538 9.677 -10.701 1.00 56.09 C ATOM 839 OE1 GLU B 84 4.658 9.853 -9.832 1.00 58.20 O ATOM 840 OE2 GLU B 84 5.295 9.208 -11.831 1.00 49.33 O ATOM 841 H GLU B 84 8.367 8.817 -8.015 1.00 0.00 H ATOM 842 N LEU B 85 8.370 11.728 -6.318 1.00 28.40 N ATOM 843 CA LEU B 85 8.572 12.701 -5.254 1.00 30.67 C ATOM 844 C LEU B 85 10.027 13.157 -5.200 1.00 35.46 C ATOM 845 O LEU B 85 10.307 14.357 -5.111 1.00 33.51 O ATOM 846 CB LEU B 85 8.136 12.097 -3.913 1.00 33.58 C ATOM 847 CG LEU B 85 8.080 13.007 -2.680 1.00 44.12 C ATOM 848 CD1 LEU B 85 6.950 14.031 -2.814 1.00 40.04 C ATOM 849 CD2 LEU B 85 7.911 12.201 -1.385 1.00 32.06 C ATOM 850 H LEU B 85 7.945 10.804 -6.098 1.00 0.00 H ATOM 851 N GLN B 86 10.977 12.210 -5.258 1.00 34.20 N ATOM 852 CA GLN B 86 12.384 12.608 -5.182 1.00 33.53 C ATOM 853 C GLN B 86 12.839 13.379 -6.414 1.00 39.44 C ATOM 854 O GLN B 86 13.747 14.216 -6.315 1.00 35.89 O ATOM 855 CB GLN B 86 13.289 11.389 -4.993 1.00 31.26 C ATOM 856 CG GLN B 86 13.046 10.649 -3.705 1.00 25.30 C ATOM 857 CD GLN B 86 13.546 9.230 -3.793 1.00 32.83 C ATOM 858 OE1 GLN B 86 14.755 8.984 -3.820 1.00 29.82 O ATOM 859 NE2 GLN B 86 12.616 8.284 -3.879 1.00 28.89 N ATOM 860 HE22 GLN B 86 11.609 8.541 -3.852 1.00 0.00 H ATOM 861 HE21 GLN B 86 12.896 7.287 -3.974 1.00 0.00 H ATOM 862 H GLN B 86 10.717 11.208 -5.356 1.00 0.00 H ATOM 863 N GLU B 87 12.260 13.095 -7.584 1.00 26.70 N ATOM 864 CA GLU B 87 12.780 13.703 -8.798 1.00 31.40 C ATOM 865 C GLU B 87 12.303 15.143 -8.973 1.00 42.25 C ATOM 866 O GLU B 87 12.949 15.906 -9.700 1.00 36.37 O ATOM 867 CB GLU B 87 12.414 12.842 -10.020 1.00 29.55 C ATOM 868 CG GLU B 87 13.103 11.474 -9.968 1.00 31.09 C ATOM 869 CD GLU B 87 12.676 10.517 -11.062 1.00 41.04 C ATOM 870 OE1 GLU B 87 11.524 10.609 -11.541 1.00 41.90 O ATOM 871 OE2 GLU B 87 13.501 9.650 -11.430 1.00 38.13 O ATOM 872 H GLU B 87 11.448 12.447 -7.626 1.00 0.00 H ATOM 873 N GLU B 88 11.212 15.534 -8.313 1.00 39.78 N ATOM 874 CA GLU B 88 10.807 16.943 -8.270 1.00 46.73 C ATOM 875 C GLU B 88 11.945 17.772 -7.687 1.00 55.21 C ATOM 876 O GLU B 88 12.609 17.335 -6.736 1.00 54.87 O ATOM 877 CB GLU B 88 9.554 17.139 -7.423 1.00 41.59 C ATOM 878 CG GLU B 88 8.355 16.332 -7.843 1.00 51.56 C ATOM 879 CD GLU B 88 7.335 16.253 -6.729 1.00 62.01 C ATOM 880 OE1 GLU B 88 7.629 16.779 -5.636 1.00 69.81 O ATOM 881 OE2 GLU B 88 6.252 15.665 -6.932 1.00 55.92 O ATOM 882 H GLU B 88 10.636 14.824 -7.818 1.00 0.00 H TER 883 GLU B 88 HETATM 884 O HOH 1 11.222 -8.699 -11.432 1.00 67.68 O HETATM 885 O HOH 2 3.684 -7.602 -11.727 1.00 49.15 O HETATM 886 O HOH 3 15.604 14.577 -4.593 1.00 46.74 O HETATM 887 O HOH 4 0.665 11.542 0.943 1.00 33.69 O HETATM 888 O HOH 5 -1.470 -11.554 -11.147 1.00 68.20 O HETATM 889 O HOH 6 19.076 9.117 -15.716 1.00 43.04 O HETATM 890 O HOH 7 14.442 2.857 -0.331 1.00 25.63 O HETATM 891 O HOH 8 9.628 5.101 -3.718 1.00 24.87 O HETATM 892 O HOH 9 9.688 -9.095 -12.558 1.00 63.57 O HETATM 893 O HOH 10 21.430 5.799 -8.571 1.00 44.53 O HETATM 894 O HOH 11 4.388 5.810 -2.600 1.00 32.00 O HETATM 895 O HOH 12 -3.656 -11.926 -6.958 1.00 37.83 O HETATM 896 O HOH 13 -14.972 -13.460 9.370 1.00 50.17 O HETATM 897 O HOH 14 2.102 5.434 -8.745 1.00 41.80 O HETATM 898 O HOH 15 2.364 -15.916 -7.168 1.00 52.42 O HETATM 899 O HOH 16 0.914 -14.474 -11.744 1.00 62.14 O HETATM 900 O HOH 17 -0.678 -9.699 -11.825 1.00 50.42 O HETATM 901 O HOH 18 29.296 13.095 -5.607 1.00 44.65 O HETATM 902 O HOH 19 5.965 5.497 -0.442 1.00 24.62 O HETATM 903 O HOH 20 13.732 14.106 -2.362 1.00 33.35 O HETATM 904 O HOH 21 10.604 10.202 -14.313 1.00 51.86 O HETATM 905 O HOH 22 17.938 11.649 -11.149 1.00 44.45 O HETATM 906 O HOH 23 2.823 -14.417 -9.590 1.00 52.03 O HETATM 907 O HOH 24 9.366 12.529 -12.556 1.00 54.99 O HETATM 908 O HOH 25 8.268 14.088 -10.652 1.00 62.28 O HETATM 909 O HOH 26 19.754 -1.637 -0.289 1.00 52.19 O HETATM 910 O HOH 27 -27.363 -9.286 11.621 1.00 46.16 O HETATM 911 O HOH 28 17.423 11.149 -13.364 1.00 43.15 O HETATM 912 O HOH 29 -4.473 -13.938 -6.128 1.00 55.74 O HETATM 913 O HOH 30 -5.907 -16.751 -2.130 1.00 54.43 O HETATM 914 O HOH 31 1.680 -13.647 -13.586 1.00 64.98 O HETATM 915 O HOH 32 -28.279 -11.674 10.041 1.00 58.12 O HETATM 916 O HOH 33 -28.146 -13.911 10.680 1.00 59.59 O HETATM 917 O HOH 34 -5.255 -18.014 -0.117 1.00 53.08 O HETATM 918 C1 CIT A 35 14.104 4.152 -6.287 1.00 0.04 C HETATM 919 O1 CIT A 35 14.833 3.919 -7.304 1.00 -0.57 O HETATM 920 O2 CIT A 35 12.921 3.711 -6.227 1.00 -0.57 O HETATM 921 C2 CIT A 35 14.668 4.950 -5.131 1.00 0.04 C HETATM 922 C3 CIT A 35 14.316 4.346 -3.771 1.00 0.13 C HETATM 923 O7 CIT A 35 14.692 2.985 -3.690 1.00 -0.38 O HETATM 924 H3 CIT A 35 14.459 2.644 -2.835 1.00 0.21 H HETATM 925 C4 CIT A 35 15.013 5.176 -2.706 1.00 0.04 C HETATM 926 C5 CIT A 35 16.438 4.710 -2.444 1.00 0.04 C HETATM 927 O3 CIT A 35 17.411 5.088 -3.171 1.00 -0.57 O HETATM 928 O4 CIT A 35 16.634 3.953 -1.454 1.00 -0.57 O HETATM 929 H4 CIT A 35 14.440 5.102 -1.770 1.00 0.05 H HETATM 930 H5 CIT A 35 15.040 6.224 -3.038 1.00 0.05 H HETATM 931 C6 CIT A 35 12.837 4.466 -3.445 1.00 0.08 C HETATM 932 O5 CIT A 35 12.286 5.567 -3.662 1.00 -0.54 O HETATM 933 O6 CIT A 35 12.186 3.510 -2.930 1.00 -0.54 O HETATM 934 H1 CIT A 35 14.263 5.972 -5.178 1.00 0.05 H HETATM 935 H2 CIT A 35 15.763 4.984 -5.228 1.00 0.05 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 918 919 920 921 CONECT 919 918 CONECT 920 918 CONECT 921 918 922 934 935 CONECT 922 921 923 925 931 CONECT 923 922 924 CONECT 924 923 CONECT 925 922 926 929 930 CONECT 926 925 927 928 CONECT 927 926 CONECT 928 926 CONECT 929 925 CONECT 930 925 CONECT 931 922 932 933 CONECT 932 931 CONECT 933 931 CONECT 934 921 CONECT 935 921 MASTER 0 0 0 0 0 0 0 0 934 1 22 7 END
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Structure:
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Related entries of code: 5go2
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5gmu
RCSB PDB
PDBbind
90aa, >5GMU_1|Chains... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1i2s
RCSB PDB
PDBbind
CIT
1o4l
RCSB PDB
PDBbind
CIT
1rq2
RCSB PDB
PDBbind
CIT
2c4v
RCSB PDB
PDBbind
CIT
2fw6
RCSB PDB
PDBbind
CIT
2fwp
RCSB PDB
PDBbind
CIT
2qpq
RCSB PDB
PDBbind
CIT
3itc
RCSB PDB
PDBbind
CIT
3kgq
RCSB PDB
PDBbind
CIT
4aci
RCSB PDB
PDBbind
CIT
4eu3
RCSB PDB
PDBbind
CIT
4o61
RCSB PDB
PDBbind
CIT
4oi6
RCSB PDB
PDBbind
CIT
4rgd
RCSB PDB
PDBbind
CIT
6knh
RCSB PDB
PDBbind
CIT
Entry Information
PDB ID
5go2
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Protein AroA(G)
Ligand Name
CIT
EC.Number
E.C.5.4.99.5; 2.5.1.54
Resolution
1.91(Å)
Affinity (Kd/Ki/IC50)
Kd=600uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Sci Rep Vol. 7: pp. 6364-6364
Ligand Properties
Formula
C
6
H
8
O
7
Molecular Weight
192.124
Exact Mass
192.027
No. of atoms
21
No. of bonds
20
Polar Surface Area
132.13
LOGP Value
1.76 (
Computed with XLOGP3
)
-1.25 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 0
Canonical SMILES
OC(=O)C(CC(=O)O)(CC(=O)O)O
InChI String
InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
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):
P39912
Entrez Gene ID
NCBI Entrez Gene ID:
937853
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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