Browse entries in the PDBbind-CN Database
HEADER 2K3W_COMPLEX COMPND 2K3W_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 73 THR SER THR LEU GLN LYS ALA ILE ASP LEU VAL THR LYS SEQRES 2 A 73 ALA THR GLU GLU ASP LYS ALA LYS ASN TYR GLU GLU ALA SEQRES 3 A 73 LEU ARG LEU TYR GLN HIS ALA VAL GLU TYR PHE LEU HIS SEQRES 4 A 73 ALA ILE LYS TYR GLU ALA HIS SER ASP LYS ALA LYS GLU SEQRES 5 A 73 SER ILE ARG ALA LYS CYS VAL GLN TYR LEU ASP ARG ALA SEQRES 6 A 73 GLU LYS LEU LYS ASP TYR LEU ARG HET ILE A 74 189 ATOM 1 N THR A 3 15.575 -12.740 -0.987 1.00 1.00 N ATOM 2 CA THR A 3 15.034 -11.510 -1.568 1.00 1.00 C ATOM 3 C THR A 3 15.201 -10.340 -0.605 1.00 1.00 C ATOM 4 O THR A 3 14.892 -10.450 0.582 1.00 1.00 O ATOM 5 CB THR A 3 13.551 -11.690 -1.893 1.00 1.00 C ATOM 6 OG1 THR A 3 13.399 -12.780 -2.795 1.00 1.00 O ATOM 7 CG2 THR A 3 13.008 -10.420 -2.537 1.00 1.00 C ATOM 8 HA THR A 3 15.585 -11.296 -2.484 1.00 0.00 H ATOM 9 HB THR A 3 12.999 -11.891 -0.975 1.00 0.00 H ATOM 10 HG1 THR A 3 12.440 -12.899 -3.008 1.00 0.00 H ATOM 11 HG23 THR A 3 13.125 -9.585 -1.846 1.00 0.00 H ATOM 12 HG21 THR A 3 13.561 -10.214 -3.454 1.00 0.00 H ATOM 13 HG22 THR A 3 11.952 -10.555 -2.770 1.00 0.00 H ATOM 14 HN3 THR A 3 15.070 -12.956 -0.104 1.00 0.00 H ATOM 15 HN2 THR A 3 16.587 -12.611 -0.786 1.00 0.00 H ATOM 16 HN1 THR A 3 15.451 -13.523 -1.660 1.00 0.00 H ATOM 17 N SER A 4 15.694 -9.225 -1.126 1.00 1.00 N ATOM 18 CA SER A 4 15.900 -8.035 -0.309 1.00 1.00 C ATOM 19 C SER A 4 14.576 -7.554 0.273 1.00 1.00 C ATOM 20 O SER A 4 13.508 -7.793 -0.296 1.00 1.00 O ATOM 21 CB SER A 4 16.524 -6.923 -1.151 1.00 1.00 C ATOM 22 OG SER A 4 17.633 -7.443 -1.873 1.00 1.00 O ATOM 23 HA SER A 4 16.574 -8.290 0.509 1.00 0.00 H ATOM 24 HB2 SER A 4 16.860 -6.117 -0.498 1.00 0.00 H ATOM 25 HB3 SER A 4 15.783 -6.537 -1.851 1.00 0.00 H ATOM 26 HG SER A 4 18.037 -6.723 -2.419 1.00 0.00 H ATOM 27 H SER A 4 15.938 -9.199 -2.137 1.00 0.00 H ATOM 28 N THR A 5 14.651 -6.881 1.415 1.00 1.00 N ATOM 29 CA THR A 5 13.452 -6.382 2.073 1.00 1.00 C ATOM 30 C THR A 5 12.735 -5.387 1.174 1.00 1.00 C ATOM 31 O THR A 5 11.510 -5.421 1.043 1.00 1.00 O ATOM 32 CB THR A 5 13.824 -5.693 3.390 1.00 1.00 C ATOM 33 OG1 THR A 5 14.784 -6.480 4.082 1.00 1.00 O ATOM 34 CG2 THR A 5 12.581 -5.553 4.268 1.00 1.00 C ATOM 35 HA THR A 5 12.793 -7.226 2.277 1.00 0.00 H ATOM 36 HB THR A 5 14.235 -4.707 3.172 1.00 0.00 H ATOM 37 HG1 THR A 5 15.594 -6.580 3.521 1.00 0.00 H ATOM 38 HG23 THR A 5 11.836 -4.951 3.748 1.00 0.00 H ATOM 39 HG21 THR A 5 12.171 -6.541 4.475 1.00 0.00 H ATOM 40 HG22 THR A 5 12.853 -5.067 5.205 1.00 0.00 H ATOM 41 H THR A 5 15.581 -6.707 1.846 1.00 0.00 H ATOM 42 N LEU A 6 13.500 -4.495 0.559 1.00 1.00 N ATOM 43 CA LEU A 6 12.912 -3.498 -0.316 1.00 1.00 C ATOM 44 C LEU A 6 12.268 -4.165 -1.526 1.00 1.00 C ATOM 45 O LEU A 6 11.165 -3.802 -1.935 1.00 1.00 O ATOM 46 CB LEU A 6 13.995 -2.508 -0.769 1.00 1.00 C ATOM 47 CG LEU A 6 13.359 -1.161 -1.194 1.00 1.00 C ATOM 48 CD1 LEU A 6 14.343 -0.026 -0.945 1.00 1.00 C ATOM 49 CD2 LEU A 6 12.988 -1.190 -2.675 1.00 1.00 C ATOM 50 HA LEU A 6 12.138 -2.958 0.230 1.00 0.00 H ATOM 51 HB2 LEU A 6 14.688 -2.333 0.054 1.00 0.00 H ATOM 52 HB3 LEU A 6 14.537 -2.931 -1.615 1.00 0.00 H ATOM 53 HG LEU A 6 12.456 -1.002 -0.604 1.00 0.00 H ATOM 54 HD21 LEU A 6 13.885 -1.363 -3.270 1.00 0.00 H ATOM 55 HD22 LEU A 6 12.272 -1.993 -2.853 1.00 0.00 H ATOM 56 HD23 LEU A 6 12.543 -0.235 -2.955 1.00 0.00 H ATOM 57 HD11 LEU A 6 14.593 0.011 0.115 1.00 0.00 H ATOM 58 HD12 LEU A 6 15.249 -0.198 -1.527 1.00 0.00 H ATOM 59 HD13 LEU A 6 13.890 0.919 -1.246 1.00 0.00 H ATOM 60 H LEU A 6 14.530 -4.510 0.705 1.00 0.00 H ATOM 61 N GLN A 7 12.962 -5.145 -2.094 1.00 1.00 N ATOM 62 CA GLN A 7 12.444 -5.848 -3.257 1.00 1.00 C ATOM 63 C GLN A 7 11.077 -6.430 -2.932 1.00 1.00 C ATOM 64 O GLN A 7 10.141 -6.333 -3.726 1.00 1.00 O ATOM 65 CB GLN A 7 13.420 -6.954 -3.667 1.00 1.00 C ATOM 66 CG GLN A 7 12.920 -7.645 -4.943 1.00 1.00 C ATOM 67 CD GLN A 7 12.843 -6.636 -6.086 1.00 1.00 C ATOM 68 OE1 GLN A 7 13.863 -6.090 -6.505 1.00 1.00 O ATOM 69 NE2 GLN A 7 11.681 -6.346 -6.606 1.00 1.00 N ATOM 70 HA GLN A 7 12.338 -5.153 -4.090 1.00 0.00 H ATOM 71 HB2 GLN A 7 14.402 -6.519 -3.852 1.00 0.00 H ATOM 72 HB3 GLN A 7 13.494 -7.687 -2.864 1.00 0.00 H ATOM 73 HG2 GLN A 7 13.608 -8.446 -5.214 1.00 0.00 H ATOM 74 HG3 GLN A 7 11.930 -8.064 -4.763 1.00 0.00 H ATOM 75 HE22 GLN A 7 10.821 -6.810 -6.249 1.00 0.00 H ATOM 76 HE21 GLN A 7 11.615 -5.651 -7.377 1.00 0.00 H ATOM 77 H GLN A 7 13.887 -5.413 -1.702 1.00 0.00 H ATOM 78 N LYS A 8 10.968 -7.018 -1.752 1.00 1.00 N ATOM 79 CA LYS A 8 9.703 -7.590 -1.317 1.00 1.00 C ATOM 80 C LYS A 8 8.661 -6.482 -1.196 1.00 1.00 C ATOM 81 O LYS A 8 7.505 -6.662 -1.580 1.00 1.00 O ATOM 82 CB LYS A 8 9.880 -8.312 0.035 1.00 1.00 C ATOM 83 CG LYS A 8 10.057 -9.824 -0.182 1.00 1.00 C ATOM 84 CD LYS A 8 8.683 -10.480 -0.364 1.00 1.00 C ATOM 85 CE LYS A 8 8.855 -11.990 -0.445 1.00 1.00 C ATOM 86 NZ LYS A 8 9.815 -12.320 -1.535 1.00 1.00 N ATOM 87 HA LYS A 8 9.365 -8.320 -2.053 1.00 0.00 H ATOM 88 HB2 LYS A 8 10.761 -7.916 0.541 1.00 0.00 H ATOM 89 HB3 LYS A 8 8.999 -8.139 0.653 1.00 0.00 H ATOM 90 HG2 LYS A 8 10.662 -9.995 -1.072 1.00 0.00 H ATOM 91 HG3 LYS A 8 10.556 -10.259 0.684 1.00 0.00 H ATOM 92 HD2 LYS A 8 8.045 -10.231 0.484 1.00 0.00 H ATOM 93 HD3 LYS A 8 8.224 -10.115 -1.283 1.00 0.00 H ATOM 94 HE2 LYS A 8 7.892 -12.455 -0.655 1.00 0.00 H ATOM 95 HE3 LYS A 8 9.239 -12.364 0.504 1.00 0.00 H ATOM 96 HZ1 LYS A 8 9.447 -11.962 -2.440 1.00 0.00 H ATOM 97 HZ2 LYS A 8 10.733 -11.875 -1.333 1.00 0.00 H ATOM 98 HZ3 LYS A 8 9.933 -13.352 -1.591 1.00 0.00 H ATOM 99 H LYS A 8 11.798 -7.072 -1.127 1.00 0.00 H ATOM 100 N ALA A 9 9.074 -5.338 -0.652 1.00 1.00 N ATOM 101 CA ALA A 9 8.155 -4.226 -0.482 1.00 1.00 C ATOM 102 C ALA A 9 7.539 -3.837 -1.824 1.00 1.00 C ATOM 103 O ALA A 9 6.323 -3.680 -1.941 1.00 1.00 O ATOM 104 CB ALA A 9 8.910 -3.039 0.125 1.00 1.00 C ATOM 105 HA ALA A 9 7.348 -4.521 0.188 1.00 0.00 H ATOM 106 HB1 ALA A 9 9.320 -3.327 1.093 1.00 0.00 H ATOM 107 HB2 ALA A 9 9.721 -2.746 -0.542 1.00 0.00 H ATOM 108 HB3 ALA A 9 8.224 -2.202 0.255 1.00 0.00 H ATOM 109 H ALA A 9 10.063 -5.240 -0.346 1.00 0.00 H ATOM 110 N ILE A 10 8.391 -3.697 -2.832 1.00 1.00 N ATOM 111 CA ILE A 10 7.930 -3.340 -4.166 1.00 1.00 C ATOM 112 C ILE A 10 7.031 -4.452 -4.717 1.00 1.00 C ATOM 113 O ILE A 10 6.019 -4.210 -5.358 1.00 1.00 O ATOM 114 CB ILE A 10 9.129 -3.120 -5.095 1.00 1.00 C ATOM 115 CG1 ILE A 10 9.892 -1.869 -4.652 1.00 1.00 C ATOM 116 CG2 ILE A 10 8.631 -2.928 -6.531 1.00 1.00 C ATOM 117 CD1 ILE A 10 11.272 -1.851 -5.318 1.00 1.00 C ATOM 118 HA ILE A 10 7.357 -2.414 -4.111 1.00 0.00 H ATOM 119 HB ILE A 10 9.789 -3.986 -5.050 1.00 0.00 H ATOM 120 HG12 ILE A 10 9.335 -0.980 -4.946 1.00 0.00 H ATOM 121 HG13 ILE A 10 10.011 -1.880 -3.569 1.00 0.00 H ATOM 122 HD11 ILE A 10 11.828 -2.741 -5.023 1.00 0.00 H ATOM 123 HD12 ILE A 10 11.151 -1.840 -6.401 1.00 0.00 H ATOM 124 HD13 ILE A 10 11.815 -0.960 -5.002 1.00 0.00 H ATOM 125 HG21 ILE A 10 8.084 -3.816 -6.846 1.00 0.00 H ATOM 126 HG22 ILE A 10 7.973 -2.060 -6.573 1.00 0.00 H ATOM 127 HG23 ILE A 10 9.483 -2.772 -7.192 1.00 0.00 H ATOM 128 H ILE A 10 9.407 -3.845 -2.666 1.00 0.00 H ATOM 129 N ASP A 11 7.429 -5.684 -4.511 1.00 1.00 N ATOM 130 CA ASP A 11 6.647 -6.797 -5.025 1.00 1.00 C ATOM 131 C ASP A 11 5.233 -6.765 -4.458 1.00 1.00 C ATOM 132 O ASP A 11 4.245 -6.898 -5.194 1.00 1.00 O ATOM 133 CB ASP A 11 7.318 -8.107 -4.634 1.00 1.00 C ATOM 134 CG ASP A 11 6.717 -9.270 -5.417 1.00 1.00 C ATOM 135 OD1 ASP A 11 5.985 -9.011 -6.357 1.00 1.00 O ATOM 136 OD2 ASP A 11 7.000 -10.400 -5.064 1.00 1.00 O ATOM 137 HA ASP A 11 6.591 -6.715 -6.111 1.00 0.00 H ATOM 138 HB2 ASP A 11 8.385 -8.042 -4.849 1.00 0.00 H ATOM 139 HB3 ASP A 11 7.174 -8.280 -3.567 1.00 0.00 H ATOM 140 H ASP A 11 8.304 -5.865 -3.980 1.00 0.00 H ATOM 141 N LEU A 12 5.131 -6.605 -3.142 1.00 1.00 N ATOM 142 CA LEU A 12 3.835 -6.585 -2.485 1.00 1.00 C ATOM 143 C LEU A 12 2.999 -5.399 -2.940 1.00 1.00 C ATOM 144 O LEU A 12 1.801 -5.535 -3.191 1.00 1.00 O ATOM 145 CB LEU A 12 4.038 -6.488 -0.968 1.00 1.00 C ATOM 146 CG LEU A 12 4.840 -7.696 -0.457 1.00 1.00 C ATOM 147 CD1 LEU A 12 5.551 -7.332 0.854 1.00 1.00 C ATOM 148 CD2 LEU A 12 3.911 -8.888 -0.218 1.00 1.00 C ATOM 149 HA LEU A 12 3.310 -7.503 -2.748 1.00 0.00 H ATOM 150 HB2 LEU A 12 4.581 -5.572 -0.736 1.00 0.00 H ATOM 151 HB3 LEU A 12 3.066 -6.468 -0.476 1.00 0.00 H ATOM 152 HG LEU A 12 5.580 -7.967 -1.210 1.00 0.00 H ATOM 153 HD21 LEU A 12 3.160 -8.619 0.525 1.00 0.00 H ATOM 154 HD22 LEU A 12 3.419 -9.157 -1.153 1.00 0.00 H ATOM 155 HD23 LEU A 12 4.494 -9.735 0.143 1.00 0.00 H ATOM 156 HD11 LEU A 12 6.229 -6.497 0.678 1.00 0.00 H ATOM 157 HD12 LEU A 12 4.810 -7.049 1.601 1.00 0.00 H ATOM 158 HD13 LEU A 12 6.117 -8.193 1.210 1.00 0.00 H ATOM 159 H LEU A 12 5.994 -6.492 -2.573 1.00 0.00 H ATOM 160 N VAL A 13 3.632 -4.238 -3.052 1.00 1.00 N ATOM 161 CA VAL A 13 2.922 -3.043 -3.479 1.00 1.00 C ATOM 162 C VAL A 13 2.471 -3.176 -4.933 1.00 1.00 C ATOM 163 O VAL A 13 1.373 -2.755 -5.296 1.00 1.00 O ATOM 164 CB VAL A 13 3.820 -1.805 -3.298 1.00 1.00 C ATOM 165 CG1 VAL A 13 4.731 -1.626 -4.508 1.00 1.00 C ATOM 166 CG2 VAL A 13 2.954 -0.559 -3.138 1.00 1.00 C ATOM 167 HA VAL A 13 2.033 -2.923 -2.860 1.00 0.00 H ATOM 168 HB VAL A 13 4.432 -1.949 -2.407 1.00 0.00 H ATOM 169 HG11 VAL A 13 5.361 -2.508 -4.621 1.00 0.00 H ATOM 170 HG12 VAL A 13 4.123 -1.496 -5.403 1.00 0.00 H ATOM 171 HG13 VAL A 13 5.358 -0.746 -4.362 1.00 0.00 H ATOM 172 HG21 VAL A 13 2.336 -0.431 -4.027 1.00 0.00 H ATOM 173 HG22 VAL A 13 2.314 -0.673 -2.263 1.00 0.00 H ATOM 174 HG23 VAL A 13 3.595 0.313 -3.010 1.00 0.00 H ATOM 175 H VAL A 13 4.647 -4.182 -2.832 1.00 0.00 H ATOM 176 N THR A 14 3.339 -3.749 -5.767 1.00 1.00 N ATOM 177 CA THR A 14 3.020 -3.907 -7.178 1.00 1.00 C ATOM 178 C THR A 14 1.715 -4.692 -7.311 1.00 1.00 C ATOM 179 O THR A 14 0.768 -4.268 -7.986 1.00 1.00 O ATOM 180 CB THR A 14 4.169 -4.655 -7.880 1.00 1.00 C ATOM 181 OG1 THR A 14 5.271 -3.774 -8.061 1.00 1.00 O ATOM 182 CG2 THR A 14 3.699 -5.175 -9.241 1.00 1.00 C ATOM 183 HA THR A 14 2.898 -2.930 -7.646 1.00 0.00 H ATOM 184 HB THR A 14 4.476 -5.499 -7.262 1.00 0.00 H ATOM 185 HG1 THR A 14 5.580 -3.448 -7.179 1.00 0.00 H ATOM 186 HG23 THR A 14 2.855 -5.850 -9.099 1.00 0.00 H ATOM 187 HG21 THR A 14 3.393 -4.334 -9.864 1.00 0.00 H ATOM 188 HG22 THR A 14 4.516 -5.710 -9.726 1.00 0.00 H ATOM 189 H THR A 14 4.254 -4.087 -5.405 1.00 0.00 H ATOM 190 N LYS A 15 1.662 -5.832 -6.647 1.00 1.00 N ATOM 191 CA LYS A 15 0.457 -6.641 -6.691 1.00 1.00 C ATOM 192 C LYS A 15 -0.706 -5.840 -6.114 1.00 1.00 C ATOM 193 O LYS A 15 -1.810 -5.863 -6.635 1.00 1.00 O ATOM 194 CB LYS A 15 0.661 -7.920 -5.894 1.00 1.00 C ATOM 195 CG LYS A 15 -0.558 -8.843 -6.054 1.00 1.00 C ATOM 196 CD LYS A 15 -0.171 -10.270 -5.656 1.00 1.00 C ATOM 197 CE LYS A 15 0.577 -10.250 -4.318 1.00 1.00 C ATOM 198 NZ LYS A 15 0.540 -11.610 -3.715 1.00 1.00 N ATOM 199 HA LYS A 15 0.234 -6.908 -7.724 1.00 0.00 H ATOM 200 HB2 LYS A 15 1.552 -8.433 -6.257 1.00 0.00 H ATOM 201 HB3 LYS A 15 0.790 -7.672 -4.840 1.00 0.00 H ATOM 202 HG2 LYS A 15 -1.366 -8.493 -5.412 1.00 0.00 H ATOM 203 HG3 LYS A 15 -0.889 -8.832 -7.092 1.00 0.00 H ATOM 204 HD2 LYS A 15 -1.072 -10.876 -5.559 1.00 0.00 H ATOM 205 HD3 LYS A 15 0.472 -10.699 -6.424 1.00 0.00 H ATOM 206 HE2 LYS A 15 0.099 -9.539 -3.644 1.00 0.00 H ATOM 207 HE3 LYS A 15 1.612 -9.953 -4.484 1.00 0.00 H ATOM 208 HZ1 LYS A 15 -0.449 -11.892 -3.558 1.00 0.00 H ATOM 209 HZ2 LYS A 15 0.996 -12.286 -4.360 1.00 0.00 H ATOM 210 HZ3 LYS A 15 1.047 -11.599 -2.807 1.00 0.00 H ATOM 211 H LYS A 15 2.483 -6.150 -6.093 1.00 0.00 H ATOM 212 N ALA A 16 -0.455 -5.125 -5.030 1.00 1.00 N ATOM 213 CA ALA A 16 -1.504 -4.332 -4.408 1.00 1.00 C ATOM 214 C ALA A 16 -2.186 -3.436 -5.438 1.00 1.00 C ATOM 215 O ALA A 16 -3.412 -3.318 -5.460 1.00 1.00 O ATOM 216 CB ALA A 16 -0.896 -3.457 -3.307 1.00 1.00 C ATOM 217 HA ALA A 16 -2.245 -5.009 -3.984 1.00 0.00 H ATOM 218 HB1 ALA A 16 -0.427 -4.093 -2.557 1.00 0.00 H ATOM 219 HB2 ALA A 16 -0.148 -2.794 -3.743 1.00 0.00 H ATOM 220 HB3 ALA A 16 -1.682 -2.863 -2.841 1.00 0.00 H ATOM 221 H ALA A 16 0.500 -5.130 -4.619 1.00 0.00 H ATOM 222 N THR A 17 -1.386 -2.803 -6.286 1.00 1.00 N ATOM 223 CA THR A 17 -1.928 -1.915 -7.302 1.00 1.00 C ATOM 224 C THR A 17 -2.773 -2.693 -8.299 1.00 1.00 C ATOM 225 O THR A 17 -3.836 -2.231 -8.724 1.00 1.00 O ATOM 226 CB THR A 17 -0.786 -1.197 -8.038 1.00 1.00 C ATOM 227 OG1 THR A 17 0.093 -2.162 -8.597 1.00 1.00 O ATOM 228 CG2 THR A 17 0.002 -0.306 -7.066 1.00 1.00 C ATOM 229 HA THR A 17 -2.560 -1.176 -6.810 1.00 0.00 H ATOM 230 HB THR A 17 -1.212 -0.575 -8.825 1.00 0.00 H ATOM 231 HG1 THR A 17 0.467 -2.725 -7.873 1.00 0.00 H ATOM 232 HG23 THR A 17 -0.667 0.438 -6.633 1.00 0.00 H ATOM 233 HG21 THR A 17 0.425 -0.922 -6.272 1.00 0.00 H ATOM 234 HG22 THR A 17 0.805 0.196 -7.605 1.00 0.00 H ATOM 235 H THR A 17 -0.357 -2.944 -6.223 1.00 0.00 H ATOM 236 N GLU A 18 -2.312 -3.883 -8.660 1.00 1.00 N ATOM 237 CA GLU A 18 -3.062 -4.706 -9.604 1.00 1.00 C ATOM 238 C GLU A 18 -4.423 -5.088 -9.003 1.00 1.00 C ATOM 239 O GLU A 18 -5.437 -5.139 -9.702 1.00 1.00 O ATOM 240 CB GLU A 18 -2.236 -5.966 -9.973 1.00 1.00 C ATOM 241 CG GLU A 18 -2.760 -7.208 -9.236 1.00 1.00 C ATOM 242 CD GLU A 18 -1.879 -8.410 -9.509 1.00 1.00 C ATOM 243 OE1 GLU A 18 -0.672 -8.251 -9.494 1.00 1.00 O ATOM 244 OE2 GLU A 18 -2.431 -9.476 -9.718 1.00 1.00 O ATOM 245 HA GLU A 18 -3.245 -4.139 -10.517 1.00 0.00 H ATOM 246 HB2 GLU A 18 -2.304 -6.134 -11.048 1.00 0.00 H ATOM 247 HB3 GLU A 18 -1.194 -5.802 -9.698 1.00 0.00 H ATOM 248 HG2 GLU A 18 -2.771 -7.009 -8.164 1.00 0.00 H ATOM 249 HG3 GLU A 18 -3.773 -7.423 -9.575 1.00 0.00 H ATOM 250 H GLU A 18 -1.413 -4.231 -8.269 1.00 0.00 H ATOM 251 N GLU A 19 -4.424 -5.377 -7.706 1.00 1.00 N ATOM 252 CA GLU A 19 -5.643 -5.766 -7.026 1.00 1.00 C ATOM 253 C GLU A 19 -6.599 -4.586 -6.965 1.00 1.00 C ATOM 254 O GLU A 19 -7.803 -4.735 -7.166 1.00 1.00 O ATOM 255 CB GLU A 19 -5.319 -6.259 -5.612 1.00 1.00 C ATOM 256 CG GLU A 19 -4.631 -7.630 -5.669 1.00 1.00 C ATOM 257 CD GLU A 19 -5.591 -8.680 -6.220 1.00 1.00 C ATOM 258 OE1 GLU A 19 -6.788 -8.454 -6.150 1.00 1.00 O ATOM 259 OE2 GLU A 19 -5.116 -9.693 -6.708 1.00 1.00 O ATOM 260 HA GLU A 19 -6.118 -6.576 -7.579 1.00 0.00 H ATOM 261 HB2 GLU A 19 -4.656 -5.544 -5.125 1.00 0.00 H ATOM 262 HB3 GLU A 19 -6.243 -6.344 -5.040 1.00 0.00 H ATOM 263 HG2 GLU A 19 -3.756 -7.567 -6.316 1.00 0.00 H ATOM 264 HG3 GLU A 19 -4.319 -7.919 -4.665 1.00 0.00 H ATOM 265 H GLU A 19 -3.535 -5.323 -7.170 1.00 0.00 H ATOM 266 N ASP A 20 -6.050 -3.409 -6.702 1.00 1.00 N ATOM 267 CA ASP A 20 -6.866 -2.207 -6.627 1.00 1.00 C ATOM 268 C ASP A 20 -7.592 -1.994 -7.952 1.00 1.00 C ATOM 269 O ASP A 20 -8.771 -1.639 -7.974 1.00 1.00 O ATOM 270 CB ASP A 20 -5.982 -0.996 -6.319 1.00 1.00 C ATOM 271 CG ASP A 20 -6.845 0.178 -5.869 1.00 1.00 C ATOM 272 OD1 ASP A 20 -8.057 0.030 -5.864 1.00 1.00 O ATOM 273 OD2 ASP A 20 -6.284 1.209 -5.540 1.00 1.00 O ATOM 274 HA ASP A 20 -7.601 -2.323 -5.830 1.00 0.00 H ATOM 275 HB2 ASP A 20 -5.280 -1.253 -5.526 1.00 0.00 H ATOM 276 HB3 ASP A 20 -5.429 -0.715 -7.215 1.00 0.00 H ATOM 277 H ASP A 20 -5.024 -3.344 -6.547 1.00 0.00 H ATOM 278 N LYS A 21 -6.885 -2.225 -9.054 1.00 1.00 N ATOM 279 CA LYS A 21 -7.484 -2.070 -10.370 1.00 1.00 C ATOM 280 C LYS A 21 -8.570 -3.118 -10.570 1.00 1.00 C ATOM 281 O LYS A 21 -9.622 -2.837 -11.150 1.00 1.00 O ATOM 282 CB LYS A 21 -6.421 -2.218 -11.450 1.00 1.00 C ATOM 283 CG LYS A 21 -5.421 -1.063 -11.350 1.00 1.00 C ATOM 284 CD LYS A 21 -4.294 -1.239 -12.400 1.00 1.00 C ATOM 285 CE LYS A 21 -2.927 -1.075 -11.730 1.00 1.00 C ATOM 286 NZ LYS A 21 -1.875 -0.996 -12.780 1.00 1.00 N ATOM 287 HA LYS A 21 -7.926 -1.076 -10.442 1.00 0.00 H ATOM 288 HB2 LYS A 21 -5.897 -3.164 -11.316 1.00 0.00 H ATOM 289 HB3 LYS A 21 -6.896 -2.203 -12.431 1.00 0.00 H ATOM 290 HG2 LYS A 21 -5.939 -0.121 -11.531 1.00 0.00 H ATOM 291 HG3 LYS A 21 -4.984 -1.050 -10.351 1.00 0.00 H ATOM 292 HD2 LYS A 21 -4.363 -2.233 -12.842 1.00 0.00 H ATOM 293 HD3 LYS A 21 -4.407 -0.487 -13.181 1.00 0.00 H ATOM 294 HE2 LYS A 21 -2.733 -1.930 -11.082 1.00 0.00 H ATOM 295 HE3 LYS A 21 -2.919 -0.161 -11.136 1.00 0.00 H ATOM 296 HZ1 LYS A 21 -1.885 -1.869 -13.346 1.00 0.00 H ATOM 297 HZ2 LYS A 21 -2.063 -0.180 -13.396 1.00 0.00 H ATOM 298 HZ3 LYS A 21 -0.945 -0.885 -12.329 1.00 0.00 H ATOM 299 H LYS A 21 -5.891 -2.520 -8.974 1.00 0.00 H ATOM 300 N ALA A 22 -8.301 -4.333 -10.090 1.00 1.00 N ATOM 301 CA ALA A 22 -9.261 -5.420 -10.220 1.00 1.00 C ATOM 302 C ALA A 22 -10.420 -5.217 -9.275 1.00 1.00 C ATOM 303 O ALA A 22 -11.260 -6.101 -9.120 1.00 1.00 O ATOM 304 CB ALA A 22 -8.591 -6.759 -9.930 1.00 1.00 C ATOM 305 HA ALA A 22 -9.635 -5.423 -11.244 1.00 0.00 H ATOM 306 HB1 ALA A 22 -7.777 -6.917 -10.637 1.00 0.00 H ATOM 307 HB2 ALA A 22 -8.196 -6.754 -8.914 1.00 0.00 H ATOM 308 HB3 ALA A 22 -9.323 -7.560 -10.032 1.00 0.00 H ATOM 309 H ALA A 22 -7.392 -4.507 -9.616 1.00 0.00 H ATOM 310 N LYS A 23 -10.460 -4.047 -8.641 1.00 1.00 N ATOM 311 CA LYS A 23 -11.520 -3.713 -7.698 1.00 1.00 C ATOM 312 C LYS A 23 -11.420 -4.566 -6.444 1.00 1.00 C ATOM 313 O LYS A 23 -12.420 -4.843 -5.784 1.00 1.00 O ATOM 314 CB LYS A 23 -12.890 -3.923 -8.348 1.00 1.00 C ATOM 315 CG LYS A 23 -12.930 -3.223 -9.710 1.00 1.00 C ATOM 316 CD LYS A 23 -12.770 -1.713 -9.521 1.00 1.00 C ATOM 317 CE LYS A 23 -13.200 -0.987 -10.790 1.00 1.00 C ATOM 318 NZ LYS A 23 -13.170 0.483 -10.550 1.00 1.00 N ATOM 319 HA LYS A 23 -11.405 -2.665 -7.420 1.00 0.00 H ATOM 320 HB2 LYS A 23 -13.067 -4.990 -8.484 1.00 0.00 H ATOM 321 HB3 LYS A 23 -13.664 -3.507 -7.704 1.00 0.00 H ATOM 322 HG2 LYS A 23 -12.119 -3.598 -10.334 1.00 0.00 H ATOM 323 HG3 LYS A 23 -13.884 -3.428 -10.195 1.00 0.00 H ATOM 324 HD2 LYS A 23 -13.391 -1.384 -8.687 1.00 0.00 H ATOM 325 HD3 LYS A 23 -11.726 -1.483 -9.308 1.00 0.00 H ATOM 326 HE2 LYS A 23 -14.211 -1.292 -11.059 1.00 0.00 H ATOM 327 HE3 LYS A 23 -12.518 -1.238 -11.602 1.00 0.00 H ATOM 328 HZ1 LYS A 23 -13.822 0.720 -9.775 1.00 0.00 H ATOM 329 HZ2 LYS A 23 -12.204 0.771 -10.293 1.00 0.00 H ATOM 330 HZ3 LYS A 23 -13.463 0.980 -11.415 1.00 0.00 H ATOM 331 H LYS A 23 -9.711 -3.349 -8.824 1.00 0.00 H ATOM 332 N ASN A 24 -10.190 -4.972 -6.107 1.00 1.00 N ATOM 333 CA ASN A 24 -9.969 -5.785 -4.913 1.00 1.00 C ATOM 334 C ASN A 24 -9.416 -4.908 -3.784 1.00 1.00 C ATOM 335 O ASN A 24 -8.257 -5.026 -3.396 1.00 1.00 O ATOM 336 CB ASN A 24 -8.985 -6.927 -5.246 1.00 1.00 C ATOM 337 CG ASN A 24 -9.721 -8.253 -5.399 1.00 1.00 C ATOM 338 OD1 ASN A 24 -10.860 -8.283 -5.852 1.00 1.00 O ATOM 339 ND2 ASN A 24 -9.126 -9.350 -5.025 1.00 1.00 N ATOM 340 HA ASN A 24 -10.913 -6.218 -4.583 1.00 0.00 H ATOM 341 HB2 ASN A 24 -8.471 -6.695 -6.178 1.00 0.00 H ATOM 342 HB3 ASN A 24 -8.255 -7.015 -4.442 1.00 0.00 H ATOM 343 HD22 ASN A 24 -8.160 -9.313 -4.642 1.00 0.00 H ATOM 344 HD21 ASN A 24 -9.617 -10.263 -5.109 1.00 0.00 H ATOM 345 H ASN A 24 -9.381 -4.705 -6.703 1.00 0.00 H ATOM 346 N TYR A 25 -10.250 -4.027 -3.268 1.00 1.00 N ATOM 347 CA TYR A 25 -9.828 -3.137 -2.198 1.00 1.00 C ATOM 348 C TYR A 25 -9.330 -3.940 -1.004 1.00 1.00 C ATOM 349 O TYR A 25 -8.353 -3.567 -0.365 1.00 1.00 O ATOM 350 CB TYR A 25 -11.000 -2.263 -1.768 1.00 1.00 C ATOM 351 CG TYR A 25 -11.780 -1.825 -2.985 1.00 1.00 C ATOM 352 CD1 TYR A 25 -11.110 -1.294 -4.097 1.00 1.00 C ATOM 353 CD2 TYR A 25 -13.180 -1.952 -3.001 1.00 1.00 C ATOM 354 CE1 TYR A 25 -11.840 -0.895 -5.220 1.00 1.00 C ATOM 355 CE2 TYR A 25 -13.910 -1.548 -4.129 1.00 1.00 C ATOM 356 CZ TYR A 25 -13.230 -1.022 -5.239 1.00 1.00 C ATOM 357 OH TYR A 25 -13.950 -0.626 -6.353 1.00 1.00 O ATOM 358 HA TYR A 25 -9.016 -2.509 -2.565 1.00 0.00 H ATOM 359 HB3 TYR A 25 -10.624 -1.385 -1.242 1.00 0.00 H ATOM 360 HB2 TYR A 25 -11.652 -2.831 -1.104 1.00 0.00 H ATOM 361 HD2 TYR A 25 -13.699 -2.365 -2.136 1.00 0.00 H ATOM 362 HE2 TYR A 25 -14.996 -1.642 -4.143 1.00 0.00 H ATOM 363 HE1 TYR A 25 -11.321 -0.483 -6.085 1.00 0.00 H ATOM 364 HD1 TYR A 25 -10.025 -1.193 -4.085 1.00 0.00 H ATOM 365 HH TYR A 25 -13.328 -0.281 -7.041 1.00 0.00 H ATOM 366 H TYR A 25 -11.223 -3.968 -3.631 1.00 0.00 H ATOM 367 N GLU A 26 -10.010 -5.036 -0.695 1.00 1.00 N ATOM 368 CA GLU A 26 -9.612 -5.854 0.443 1.00 1.00 C ATOM 369 C GLU A 26 -8.210 -6.428 0.241 1.00 1.00 C ATOM 370 O GLU A 26 -7.328 -6.257 1.089 1.00 1.00 O ATOM 371 CB GLU A 26 -10.630 -7.007 0.620 1.00 1.00 C ATOM 372 CG GLU A 26 -11.370 -6.855 1.944 1.00 1.00 C ATOM 373 CD GLU A 26 -10.430 -7.191 3.097 1.00 1.00 C ATOM 374 OE1 GLU A 26 -9.355 -7.688 2.831 1.00 1.00 O ATOM 375 OE2 GLU A 26 -10.810 -6.940 4.230 1.00 1.00 O ATOM 376 HA GLU A 26 -9.597 -5.229 1.336 1.00 0.00 H ATOM 377 HB2 GLU A 26 -11.348 -6.983 -0.199 1.00 0.00 H ATOM 378 HB3 GLU A 26 -10.101 -7.960 0.610 1.00 0.00 H ATOM 379 HG2 GLU A 26 -11.720 -5.828 2.048 1.00 0.00 H ATOM 380 HG3 GLU A 26 -12.224 -7.532 1.963 1.00 0.00 H ATOM 381 H GLU A 26 -10.832 -5.313 -1.268 1.00 0.00 H ATOM 382 N GLU A 27 -8.013 -7.106 -0.880 1.00 1.00 N ATOM 383 CA GLU A 27 -6.719 -7.702 -1.161 1.00 1.00 C ATOM 384 C GLU A 27 -5.666 -6.607 -1.303 1.00 1.00 C ATOM 385 O GLU A 27 -4.569 -6.707 -0.750 1.00 1.00 O ATOM 386 CB GLU A 27 -6.792 -8.531 -2.457 1.00 1.00 C ATOM 387 CG GLU A 27 -5.756 -9.651 -2.425 1.00 1.00 C ATOM 388 CD GLU A 27 -6.196 -10.730 -1.453 1.00 1.00 C ATOM 389 OE1 GLU A 27 -7.317 -10.650 -0.975 1.00 1.00 O ATOM 390 OE2 GLU A 27 -5.409 -11.630 -1.198 1.00 1.00 O ATOM 391 HA GLU A 27 -6.443 -8.359 -0.336 1.00 0.00 H ATOM 392 HB2 GLU A 27 -7.788 -8.964 -2.552 1.00 0.00 H ATOM 393 HB3 GLU A 27 -6.596 -7.883 -3.311 1.00 0.00 H ATOM 394 HG2 GLU A 27 -5.656 -10.080 -3.422 1.00 0.00 H ATOM 395 HG3 GLU A 27 -4.795 -9.247 -2.107 1.00 0.00 H ATOM 396 H GLU A 27 -8.790 -7.212 -1.563 1.00 0.00 H ATOM 397 N ALA A 28 -6.013 -5.558 -2.043 1.00 1.00 N ATOM 398 CA ALA A 28 -5.098 -4.450 -2.251 1.00 1.00 C ATOM 399 C ALA A 28 -4.707 -3.836 -0.920 1.00 1.00 C ATOM 400 O ALA A 28 -3.537 -3.534 -0.691 1.00 1.00 O ATOM 401 CB ALA A 28 -5.752 -3.385 -3.137 1.00 1.00 C ATOM 402 HA ALA A 28 -4.203 -4.827 -2.746 1.00 0.00 H ATOM 403 HB1 ALA A 28 -6.008 -3.824 -4.101 1.00 0.00 H ATOM 404 HB2 ALA A 28 -6.656 -3.016 -2.653 1.00 0.00 H ATOM 405 HB3 ALA A 28 -5.055 -2.560 -3.285 1.00 0.00 H ATOM 406 H ALA A 28 -6.956 -5.531 -2.480 1.00 0.00 H ATOM 407 N LEU A 29 -5.682 -3.651 -0.033 1.00 1.00 N ATOM 408 CA LEU A 29 -5.409 -3.062 1.263 1.00 1.00 C ATOM 409 C LEU A 29 -4.409 -3.891 2.046 1.00 1.00 C ATOM 410 O LEU A 29 -3.473 -3.351 2.640 1.00 1.00 O ATOM 411 CB LEU A 29 -6.720 -2.973 2.063 1.00 1.00 C ATOM 412 CG LEU A 29 -6.455 -2.511 3.507 1.00 1.00 C ATOM 413 CD1 LEU A 29 -6.039 -1.058 3.527 1.00 1.00 C ATOM 414 CD2 LEU A 29 -7.707 -2.695 4.353 1.00 1.00 C ATOM 415 HA LEU A 29 -4.986 -2.070 1.105 1.00 0.00 H ATOM 416 HB2 LEU A 29 -7.387 -2.261 1.577 1.00 0.00 H ATOM 417 HB3 LEU A 29 -7.193 -3.955 2.084 1.00 0.00 H ATOM 418 HG LEU A 29 -5.649 -3.116 3.921 1.00 0.00 H ATOM 419 HD21 LEU A 29 -8.519 -2.103 3.931 1.00 0.00 H ATOM 420 HD22 LEU A 29 -7.988 -3.748 4.360 1.00 0.00 H ATOM 421 HD23 LEU A 29 -7.507 -2.365 5.372 1.00 0.00 H ATOM 422 HD11 LEU A 29 -5.128 -0.934 2.941 1.00 0.00 H ATOM 423 HD12 LEU A 29 -6.834 -0.448 3.099 1.00 0.00 H ATOM 424 HD13 LEU A 29 -5.856 -0.748 4.556 1.00 0.00 H ATOM 425 H LEU A 29 -6.654 -3.933 -0.273 1.00 0.00 H ATOM 426 N ARG A 30 -4.612 -5.198 2.060 1.00 1.00 N ATOM 427 CA ARG A 30 -3.712 -6.073 2.796 1.00 1.00 C ATOM 428 C ARG A 30 -2.287 -5.956 2.259 1.00 1.00 C ATOM 429 O ARG A 30 -1.319 -5.882 3.027 1.00 1.00 O ATOM 430 CB ARG A 30 -4.202 -7.515 2.674 1.00 1.00 C ATOM 431 CG ARG A 30 -5.456 -7.713 3.534 1.00 1.00 C ATOM 432 CD ARG A 30 -6.030 -9.109 3.287 1.00 1.00 C ATOM 433 NE ARG A 30 -5.042 -10.130 3.645 1.00 1.00 N ATOM 434 CZ ARG A 30 -4.467 -10.920 2.730 1.00 1.00 C ATOM 435 NH1 ARG A 30 -4.766 -10.790 1.466 1.00 1.00 N ATOM 436 NH2 ARG A 30 -3.597 -11.820 3.099 1.00 1.00 N ATOM 437 HA ARG A 30 -3.705 -5.776 3.845 1.00 0.00 H ATOM 438 HB2 ARG A 30 -4.440 -7.730 1.632 1.00 0.00 H ATOM 439 HB3 ARG A 30 -3.419 -8.193 3.014 1.00 0.00 H ATOM 440 HG2 ARG A 30 -5.195 -7.609 4.587 1.00 0.00 H ATOM 441 HG3 ARG A 30 -6.200 -6.962 3.269 1.00 0.00 H ATOM 442 HD2 ARG A 30 -6.289 -9.211 2.233 1.00 0.00 H ATOM 443 HD3 ARG A 30 -6.925 -9.244 3.895 1.00 0.00 H ATOM 444 HE ARG A 30 -4.778 -10.245 4.644 1.00 0.00 H ATOM 445 HH12 ARG A 30 -4.316 -11.406 0.759 1.00 0.00 H ATOM 446 HH11 ARG A 30 -5.454 -10.070 1.166 1.00 0.00 H ATOM 447 HH22 ARG A 30 -3.150 -12.434 2.388 1.00 0.00 H ATOM 448 HH21 ARG A 30 -3.350 -11.924 4.104 1.00 0.00 H ATOM 449 H ARG A 30 -5.419 -5.602 1.543 1.00 0.00 H ATOM 450 N LEU A 31 -2.163 -5.937 0.940 1.00 1.00 N ATOM 451 CA LEU A 31 -0.854 -5.828 0.311 1.00 1.00 C ATOM 452 C LEU A 31 -0.240 -4.461 0.584 1.00 1.00 C ATOM 453 O LEU A 31 0.965 -4.346 0.804 1.00 1.00 O ATOM 454 CB LEU A 31 -0.981 -6.056 -1.193 1.00 1.00 C ATOM 455 CG LEU A 31 -1.548 -7.455 -1.450 1.00 1.00 C ATOM 456 CD1 LEU A 31 -1.914 -7.587 -2.930 1.00 1.00 C ATOM 457 CD2 LEU A 31 -0.520 -8.532 -1.077 1.00 1.00 C ATOM 458 HA LEU A 31 -0.199 -6.590 0.734 1.00 0.00 H ATOM 459 HB2 LEU A 31 -1.650 -5.308 -1.619 1.00 0.00 H ATOM 460 HB3 LEU A 31 0.001 -5.970 -1.658 1.00 0.00 H ATOM 461 HG LEU A 31 -2.436 -7.594 -0.833 1.00 0.00 H ATOM 462 HD21 LEU A 31 0.379 -8.399 -1.679 1.00 0.00 H ATOM 463 HD22 LEU A 31 -0.268 -8.441 -0.020 1.00 0.00 H ATOM 464 HD23 LEU A 31 -0.943 -9.518 -1.267 1.00 0.00 H ATOM 465 HD11 LEU A 31 -2.662 -6.836 -3.186 1.00 0.00 H ATOM 466 HD12 LEU A 31 -1.022 -7.436 -3.538 1.00 0.00 H ATOM 467 HD13 LEU A 31 -2.318 -8.582 -3.116 1.00 0.00 H ATOM 468 H LEU A 31 -3.013 -6.001 0.345 1.00 0.00 H ATOM 469 N TYR A 32 -1.070 -3.426 0.560 1.00 1.00 N ATOM 470 CA TYR A 32 -0.581 -2.075 0.795 1.00 1.00 C ATOM 471 C TYR A 32 0.073 -1.972 2.171 1.00 1.00 C ATOM 472 O TYR A 32 1.177 -1.434 2.311 1.00 1.00 O ATOM 473 CB TYR A 32 -1.750 -1.071 0.701 1.00 1.00 C ATOM 474 CG TYR A 32 -1.936 -0.601 -0.727 1.00 1.00 C ATOM 475 CD1 TYR A 32 -0.883 0.044 -1.389 1.00 1.00 C ATOM 476 CD2 TYR A 32 -3.152 -0.815 -1.391 1.00 1.00 C ATOM 477 CE1 TYR A 32 -1.040 0.475 -2.706 1.00 1.00 C ATOM 478 CE2 TYR A 32 -3.306 -0.387 -2.714 1.00 1.00 C ATOM 479 CZ TYR A 32 -2.251 0.257 -3.369 1.00 1.00 C ATOM 480 OH TYR A 32 -2.401 0.669 -4.673 1.00 1.00 O ATOM 481 HA TYR A 32 0.164 -1.840 0.035 1.00 0.00 H ATOM 482 HB3 TYR A 32 -1.536 -0.211 1.336 1.00 0.00 H ATOM 483 HB2 TYR A 32 -2.666 -1.554 1.042 1.00 0.00 H ATOM 484 HD2 TYR A 32 -3.975 -1.313 -0.878 1.00 0.00 H ATOM 485 HE2 TYR A 32 -4.249 -0.555 -3.235 1.00 0.00 H ATOM 486 HE1 TYR A 32 -0.221 0.981 -3.217 1.00 0.00 H ATOM 487 HD1 TYR A 32 0.063 0.210 -0.873 1.00 0.00 H ATOM 488 HH TYR A 32 -1.565 1.102 -4.979 1.00 0.00 H ATOM 489 H TYR A 32 -2.081 -3.582 0.371 1.00 0.00 H ATOM 490 N GLN A 33 -0.612 -2.485 3.178 1.00 1.00 N ATOM 491 CA GLN A 33 -0.090 -2.435 4.534 1.00 1.00 C ATOM 492 C GLN A 33 1.201 -3.242 4.636 1.00 1.00 C ATOM 493 O GLN A 33 2.163 -2.826 5.294 1.00 1.00 O ATOM 494 CB GLN A 33 -1.134 -2.997 5.505 1.00 1.00 C ATOM 495 CG GLN A 33 -2.367 -2.090 5.520 1.00 1.00 C ATOM 496 CD GLN A 33 -3.407 -2.639 6.491 1.00 1.00 C ATOM 497 OE1 GLN A 33 -3.164 -3.642 7.163 1.00 1.00 O ATOM 498 NE2 GLN A 33 -4.559 -2.036 6.610 1.00 1.00 N ATOM 499 HA GLN A 33 0.126 -1.399 4.793 1.00 0.00 H ATOM 500 HB2 GLN A 33 -1.424 -3.998 5.186 1.00 0.00 H ATOM 501 HB3 GLN A 33 -0.708 -3.046 6.507 1.00 0.00 H ATOM 502 HG2 GLN A 33 -2.074 -1.088 5.833 1.00 0.00 H ATOM 503 HG3 GLN A 33 -2.795 -2.046 4.519 1.00 0.00 H ATOM 504 HE22 GLN A 33 -4.764 -1.189 6.042 1.00 0.00 H ATOM 505 HE21 GLN A 33 -5.272 -2.403 7.273 1.00 0.00 H ATOM 506 H GLN A 33 -1.535 -2.930 2.998 1.00 0.00 H ATOM 507 N HIS A 34 1.225 -4.391 3.973 1.00 1.00 N ATOM 508 CA HIS A 34 2.415 -5.239 4.002 1.00 1.00 C ATOM 509 C HIS A 34 3.592 -4.540 3.314 1.00 1.00 C ATOM 510 O HIS A 34 4.687 -4.441 3.874 1.00 1.00 O ATOM 511 CB HIS A 34 2.110 -6.572 3.293 1.00 1.00 C ATOM 512 CG HIS A 34 1.573 -7.568 4.283 1.00 1.00 C ATOM 513 ND1 HIS A 34 0.287 -8.076 4.197 1.00 1.00 N ATOM 514 CD2 HIS A 34 2.135 -8.148 5.388 1.00 1.00 C ATOM 515 CE1 HIS A 34 0.118 -8.924 5.226 1.00 1.00 C ATOM 516 NE2 HIS A 34 1.215 -9.005 5.985 1.00 1.00 N ATOM 517 HA HIS A 34 2.688 -5.430 5.040 1.00 0.00 H ATOM 518 HB2 HIS A 34 1.370 -6.404 2.511 1.00 0.00 H ATOM 519 HB3 HIS A 34 3.025 -6.962 2.848 1.00 0.00 H ATOM 520 HD2 HIS A 34 3.148 -7.966 5.746 1.00 0.00 H ATOM 521 HE1 HIS A 34 -0.801 -9.478 5.418 1.00 0.00 H ATOM 522 H HIS A 34 0.391 -4.690 3.429 1.00 0.00 H ATOM 523 N ALA A 35 3.356 -4.055 2.103 1.00 1.00 N ATOM 524 CA ALA A 35 4.401 -3.376 1.353 1.00 1.00 C ATOM 525 C ALA A 35 5.047 -2.291 2.211 1.00 1.00 C ATOM 526 O ALA A 35 6.271 -2.213 2.311 1.00 1.00 O ATOM 527 CB ALA A 35 3.799 -2.735 0.090 1.00 1.00 C ATOM 528 HA ALA A 35 5.159 -4.106 1.069 1.00 0.00 H ATOM 529 HB1 ALA A 35 3.352 -3.511 -0.532 1.00 0.00 H ATOM 530 HB2 ALA A 35 3.034 -2.014 0.379 1.00 0.00 H ATOM 531 HB3 ALA A 35 4.586 -2.228 -0.469 1.00 0.00 H ATOM 532 H ALA A 35 2.410 -4.162 1.683 1.00 0.00 H ATOM 533 N VAL A 36 4.214 -1.462 2.825 1.00 1.00 N ATOM 534 CA VAL A 36 4.718 -0.380 3.663 1.00 1.00 C ATOM 535 C VAL A 36 5.606 -0.928 4.769 1.00 1.00 C ATOM 536 O VAL A 36 6.667 -0.372 5.057 1.00 1.00 O ATOM 537 CB VAL A 36 3.549 0.409 4.277 1.00 1.00 C ATOM 538 CG1 VAL A 36 4.080 1.324 5.397 1.00 1.00 C ATOM 539 CG2 VAL A 36 2.862 1.256 3.181 1.00 1.00 C ATOM 540 HA VAL A 36 5.309 0.288 3.037 1.00 0.00 H ATOM 541 HB VAL A 36 2.821 -0.285 4.697 1.00 0.00 H ATOM 542 HG11 VAL A 36 4.553 0.716 6.168 1.00 0.00 H ATOM 543 HG12 VAL A 36 4.810 2.019 4.981 1.00 0.00 H ATOM 544 HG13 VAL A 36 3.251 1.883 5.832 1.00 0.00 H ATOM 545 HG21 VAL A 36 3.585 1.952 2.755 1.00 0.00 H ATOM 546 HG22 VAL A 36 2.484 0.598 2.399 1.00 0.00 H ATOM 547 HG23 VAL A 36 2.034 1.813 3.620 1.00 0.00 H ATOM 548 H VAL A 36 3.188 -1.585 2.707 1.00 0.00 H ATOM 549 N GLU A 37 5.170 -2.011 5.385 1.00 1.00 N ATOM 550 CA GLU A 37 5.947 -2.612 6.463 1.00 1.00 C ATOM 551 C GLU A 37 7.370 -2.923 6.004 1.00 1.00 C ATOM 552 O GLU A 37 8.342 -2.579 6.679 1.00 1.00 O ATOM 553 CB GLU A 37 5.270 -3.907 6.921 1.00 1.00 C ATOM 554 CG GLU A 37 5.711 -4.254 8.346 1.00 1.00 C ATOM 555 CD GLU A 37 7.188 -4.634 8.352 1.00 1.00 C ATOM 556 OE1 GLU A 37 7.636 -5.205 7.370 1.00 1.00 O ATOM 557 OE2 GLU A 37 7.852 -4.343 9.333 1.00 1.00 O ATOM 558 HA GLU A 37 5.995 -1.902 7.288 1.00 0.00 H ATOM 559 HB2 GLU A 37 4.188 -3.776 6.900 1.00 0.00 H ATOM 560 HB3 GLU A 37 5.550 -4.718 6.249 1.00 0.00 H ATOM 561 HG2 GLU A 37 5.557 -3.391 8.993 1.00 0.00 H ATOM 562 HG3 GLU A 37 5.120 -5.093 8.714 1.00 0.00 H ATOM 563 H GLU A 37 4.266 -2.439 5.100 1.00 0.00 H ATOM 564 N TYR A 38 7.485 -3.577 4.857 1.00 1.00 N ATOM 565 CA TYR A 38 8.799 -3.930 4.328 1.00 1.00 C ATOM 566 C TYR A 38 9.604 -2.677 3.983 1.00 1.00 C ATOM 567 O TYR A 38 10.814 -2.625 4.202 1.00 1.00 O ATOM 568 CB TYR A 38 8.651 -4.807 3.078 1.00 1.00 C ATOM 569 CG TYR A 38 8.362 -6.237 3.479 1.00 1.00 C ATOM 570 CD1 TYR A 38 7.190 -6.543 4.173 1.00 1.00 C ATOM 571 CD2 TYR A 38 9.275 -7.252 3.164 1.00 1.00 C ATOM 572 CE1 TYR A 38 6.924 -7.862 4.552 1.00 1.00 C ATOM 573 CE2 TYR A 38 9.010 -8.571 3.542 1.00 1.00 C ATOM 574 CZ TYR A 38 7.835 -8.877 4.235 1.00 1.00 C ATOM 575 OH TYR A 38 7.573 -10.170 4.611 1.00 1.00 O ATOM 576 HA TYR A 38 9.333 -4.486 5.098 1.00 0.00 H ATOM 577 HB3 TYR A 38 9.576 -4.773 2.502 1.00 0.00 H ATOM 578 HB2 TYR A 38 7.830 -4.430 2.468 1.00 0.00 H ATOM 579 HD2 TYR A 38 10.191 -7.013 2.624 1.00 0.00 H ATOM 580 HE2 TYR A 38 9.719 -9.361 3.297 1.00 0.00 H ATOM 581 HE1 TYR A 38 6.009 -8.100 5.094 1.00 0.00 H ATOM 582 HD1 TYR A 38 6.481 -5.752 4.420 1.00 0.00 H ATOM 583 HH TYR A 38 6.706 -10.205 5.088 1.00 0.00 H ATOM 584 H TYR A 38 6.630 -3.842 4.328 1.00 0.00 H ATOM 585 N PHE A 39 8.927 -1.676 3.443 1.00 1.00 N ATOM 586 CA PHE A 39 9.601 -0.438 3.067 1.00 1.00 C ATOM 587 C PHE A 39 10.237 0.225 4.296 1.00 1.00 C ATOM 588 O PHE A 39 11.415 0.618 4.276 1.00 1.00 O ATOM 589 CB PHE A 39 8.583 0.525 2.418 1.00 1.00 C ATOM 590 CG PHE A 39 8.455 0.235 0.936 1.00 1.00 C ATOM 591 CD1 PHE A 39 9.572 0.372 0.103 1.00 1.00 C ATOM 592 CD2 PHE A 39 7.226 -0.175 0.396 1.00 1.00 C ATOM 593 CE1 PHE A 39 9.466 0.098 -1.263 1.00 1.00 C ATOM 594 CE2 PHE A 39 7.121 -0.449 -0.973 1.00 1.00 C ATOM 595 CZ PHE A 39 8.242 -0.314 -1.801 1.00 1.00 C ATOM 596 HA PHE A 39 10.391 -0.670 2.353 1.00 0.00 H ATOM 597 HB2 PHE A 39 7.611 0.396 2.895 1.00 0.00 H ATOM 598 HB3 PHE A 39 8.921 1.552 2.556 1.00 0.00 H ATOM 599 HD2 PHE A 39 6.354 -0.280 1.042 1.00 0.00 H ATOM 600 HE2 PHE A 39 6.167 -0.767 -1.394 1.00 0.00 H ATOM 601 HZ PHE A 39 8.161 -0.530 -2.866 1.00 0.00 H ATOM 602 HE1 PHE A 39 10.337 0.205 -1.910 1.00 0.00 H ATOM 603 HD1 PHE A 39 10.526 0.693 0.521 1.00 0.00 H ATOM 604 H PHE A 39 7.904 -1.773 3.285 1.00 0.00 H ATOM 605 N LEU A 40 9.455 0.341 5.358 1.00 1.00 N ATOM 606 CA LEU A 40 9.930 0.958 6.586 1.00 1.00 C ATOM 607 C LEU A 40 11.071 0.140 7.174 1.00 1.00 C ATOM 608 O LEU A 40 12.045 0.680 7.702 1.00 1.00 O ATOM 609 CB LEU A 40 8.788 1.052 7.598 1.00 1.00 C ATOM 610 CG LEU A 40 7.690 1.981 7.054 1.00 1.00 C ATOM 611 CD1 LEU A 40 6.451 1.869 7.945 1.00 1.00 C ATOM 612 CD2 LEU A 40 8.180 3.442 7.028 1.00 1.00 C ATOM 613 HA LEU A 40 10.291 1.961 6.359 1.00 0.00 H ATOM 614 HB2 LEU A 40 8.372 0.059 7.768 1.00 0.00 H ATOM 615 HB3 LEU A 40 9.168 1.451 8.538 1.00 0.00 H ATOM 616 HG LEU A 40 7.444 1.681 6.035 1.00 0.00 H ATOM 617 HD21 LEU A 40 8.439 3.755 8.039 1.00 0.00 H ATOM 618 HD22 LEU A 40 9.058 3.518 6.386 1.00 0.00 H ATOM 619 HD23 LEU A 40 7.388 4.083 6.640 1.00 0.00 H ATOM 620 HD11 LEU A 40 6.095 0.839 7.942 1.00 0.00 H ATOM 621 HD12 LEU A 40 6.709 2.163 8.963 1.00 0.00 H ATOM 622 HD13 LEU A 40 5.670 2.526 7.563 1.00 0.00 H ATOM 623 H LEU A 40 8.480 -0.017 5.313 1.00 0.00 H ATOM 624 N HIS A 41 10.953 -1.171 7.068 1.00 1.00 N ATOM 625 CA HIS A 41 11.987 -2.056 7.587 1.00 1.00 C ATOM 626 C HIS A 41 13.275 -1.911 6.776 1.00 1.00 C ATOM 627 O HIS A 41 14.369 -2.086 7.291 1.00 1.00 O ATOM 628 CB HIS A 41 11.508 -3.506 7.532 1.00 1.00 C ATOM 629 CG HIS A 41 12.417 -4.374 8.364 1.00 1.00 C ATOM 630 ND1 HIS A 41 12.116 -4.723 9.672 1.00 1.00 N ATOM 631 CD2 HIS A 41 13.623 -4.972 8.087 1.00 1.00 C ATOM 632 CE1 HIS A 41 13.120 -5.495 10.128 1.00 1.00 C ATOM 633 NE2 HIS A 41 14.065 -5.676 9.203 1.00 1.00 N ATOM 634 HA HIS A 41 12.190 -1.780 8.622 1.00 0.00 H ATOM 635 HB2 HIS A 41 10.492 -3.567 7.922 1.00 0.00 H ATOM 636 HB3 HIS A 41 11.521 -3.853 6.499 1.00 0.00 H ATOM 637 HD2 HIS A 41 14.153 -4.905 7.137 1.00 0.00 H ATOM 638 HE1 HIS A 41 13.157 -5.921 11.131 1.00 0.00 H ATOM 639 H HIS A 41 10.112 -1.576 6.609 1.00 0.00 H ATOM 640 N ALA A 42 13.143 -1.605 5.500 1.00 1.00 N ATOM 641 CA ALA A 42 14.314 -1.460 4.652 1.00 1.00 C ATOM 642 C ALA A 42 15.137 -0.235 5.033 1.00 1.00 C ATOM 643 O ALA A 42 16.340 -0.302 5.212 1.00 1.00 O ATOM 644 CB ALA A 42 13.893 -1.310 3.197 1.00 1.00 C ATOM 645 HA ALA A 42 14.920 -2.356 4.789 1.00 0.00 H ATOM 646 HB1 ALA A 42 13.335 -2.194 2.888 1.00 0.00 H ATOM 647 HB2 ALA A 42 13.263 -0.427 3.092 1.00 0.00 H ATOM 648 HB3 ALA A 42 14.780 -1.202 2.573 1.00 0.00 H ATOM 649 H ALA A 42 12.194 -1.466 5.098 1.00 0.00 H ATOM 650 N ILE A 43 14.474 0.884 5.211 1.00 1.00 N ATOM 651 CA ILE A 43 15.185 2.101 5.591 1.00 1.00 C ATOM 652 C ILE A 43 15.793 1.990 6.986 1.00 1.00 C ATOM 653 O ILE A 43 16.849 2.563 7.257 1.00 1.00 O ATOM 654 CB ILE A 43 14.232 3.292 5.534 1.00 1.00 C ATOM 655 CG1 ILE A 43 12.923 2.927 6.232 1.00 1.00 C ATOM 656 CG2 ILE A 43 13.952 3.649 4.078 1.00 1.00 C ATOM 657 CD1 ILE A 43 11.963 4.120 6.207 1.00 1.00 C ATOM 658 HA ILE A 43 16.002 2.246 4.884 1.00 0.00 H ATOM 659 HB ILE A 43 14.685 4.147 6.036 1.00 0.00 H ATOM 660 HG12 ILE A 43 12.463 2.083 5.718 1.00 0.00 H ATOM 661 HG13 ILE A 43 13.130 2.652 7.266 1.00 0.00 H ATOM 662 HD11 ILE A 43 12.421 4.964 6.723 1.00 0.00 H ATOM 663 HD12 ILE A 43 11.753 4.395 5.173 1.00 0.00 H ATOM 664 HD13 ILE A 43 11.034 3.848 6.707 1.00 0.00 H ATOM 665 HG21 ILE A 43 14.888 3.907 3.582 1.00 0.00 H ATOM 666 HG22 ILE A 43 13.497 2.795 3.577 1.00 0.00 H ATOM 667 HG23 ILE A 43 13.271 4.500 4.038 1.00 0.00 H ATOM 668 H ILE A 43 13.442 0.903 5.081 1.00 0.00 H ATOM 669 N LYS A 44 15.124 1.264 7.872 1.00 1.00 N ATOM 670 CA LYS A 44 15.626 1.104 9.237 1.00 1.00 C ATOM 671 C LYS A 44 16.678 0.021 9.352 1.00 1.00 C ATOM 672 O LYS A 44 17.741 0.223 9.938 1.00 1.00 O ATOM 673 CB LYS A 44 14.487 0.717 10.167 1.00 1.00 C ATOM 674 CG LYS A 44 13.521 1.854 10.275 1.00 1.00 C ATOM 675 CD LYS A 44 12.460 1.556 11.333 1.00 1.00 C ATOM 676 CE LYS A 44 11.414 0.574 10.792 1.00 1.00 C ATOM 677 NZ LYS A 44 10.303 0.434 11.780 1.00 1.00 N ATOM 678 HA LYS A 44 16.068 2.062 9.510 1.00 0.00 H ATOM 679 HB2 LYS A 44 13.974 -0.159 9.769 1.00 0.00 H ATOM 680 HB3 LYS A 44 14.887 0.485 11.154 1.00 0.00 H ATOM 681 HG2 LYS A 44 14.061 2.759 10.553 1.00 0.00 H ATOM 682 HG3 LYS A 44 13.035 2.005 9.311 1.00 0.00 H ATOM 683 HD2 LYS A 44 12.941 1.120 12.209 1.00 0.00 H ATOM 684 HD3 LYS A 44 11.966 2.485 11.616 1.00 0.00 H ATOM 685 HE2 LYS A 44 11.879 -0.398 10.628 1.00 0.00 H ATOM 686 HE3 LYS A 44 11.017 0.949 9.849 1.00 0.00 H ATOM 687 HZ1 LYS A 44 10.683 0.075 12.679 1.00 0.00 H ATOM 688 HZ2 LYS A 44 9.860 1.362 11.935 1.00 0.00 H ATOM 689 HZ3 LYS A 44 9.595 -0.232 11.411 1.00 0.00 H ATOM 690 H LYS A 44 14.234 0.804 7.594 1.00 0.00 H ATOM 691 N TYR A 45 16.358 -1.142 8.807 1.00 1.00 N ATOM 692 CA TYR A 45 17.272 -2.283 8.884 1.00 1.00 C ATOM 693 C TYR A 45 18.293 -2.281 7.751 1.00 1.00 C ATOM 694 O TYR A 45 19.302 -2.986 7.816 1.00 1.00 O ATOM 695 CB TYR A 45 16.497 -3.604 8.865 1.00 1.00 C ATOM 696 CG TYR A 45 15.647 -3.708 10.113 1.00 1.00 C ATOM 697 CD1 TYR A 45 14.546 -2.867 10.274 1.00 1.00 C ATOM 698 CD2 TYR A 45 15.965 -4.635 11.108 1.00 1.00 C ATOM 699 CE1 TYR A 45 13.758 -2.937 11.421 1.00 1.00 C ATOM 700 CE2 TYR A 45 15.177 -4.715 12.264 1.00 1.00 C ATOM 701 CZ TYR A 45 14.073 -3.864 12.423 1.00 1.00 C ATOM 702 OH TYR A 45 13.297 -3.948 13.560 1.00 1.00 O ATOM 703 HA TYR A 45 17.810 -2.188 9.827 1.00 0.00 H ATOM 704 HB3 TYR A 45 17.199 -4.437 8.833 1.00 0.00 H ATOM 705 HB2 TYR A 45 15.856 -3.637 7.984 1.00 0.00 H ATOM 706 HD2 TYR A 45 16.824 -5.295 10.986 1.00 0.00 H ATOM 707 HE2 TYR A 45 15.422 -5.439 13.041 1.00 0.00 H ATOM 708 HE1 TYR A 45 12.901 -2.274 11.538 1.00 0.00 H ATOM 709 HD1 TYR A 45 14.299 -2.147 9.494 1.00 0.00 H ATOM 710 HH TYR A 45 12.567 -3.282 13.510 1.00 0.00 H ATOM 711 H TYR A 45 15.446 -1.247 8.318 1.00 0.00 H ATOM 712 N GLU A 46 18.030 -1.493 6.709 1.00 1.00 N ATOM 713 CA GLU A 46 18.948 -1.407 5.565 1.00 1.00 C ATOM 714 C GLU A 46 19.412 0.030 5.401 1.00 1.00 C ATOM 715 O GLU A 46 18.694 0.970 5.739 1.00 1.00 O ATOM 716 CB GLU A 46 18.266 -1.893 4.281 1.00 1.00 C ATOM 717 CG GLU A 46 17.681 -3.277 4.526 1.00 1.00 C ATOM 718 CD GLU A 46 16.973 -3.767 3.273 1.00 1.00 C ATOM 719 OE1 GLU A 46 16.879 -2.995 2.332 1.00 1.00 O ATOM 720 OE2 GLU A 46 16.548 -4.908 3.266 1.00 1.00 O ATOM 721 HA GLU A 46 19.808 -2.049 5.753 1.00 0.00 H ATOM 722 HB2 GLU A 46 17.469 -1.202 4.006 1.00 0.00 H ATOM 723 HB3 GLU A 46 18.997 -1.942 3.474 1.00 0.00 H ATOM 724 HG2 GLU A 46 18.483 -3.969 4.783 1.00 0.00 H ATOM 725 HG3 GLU A 46 16.968 -3.228 5.349 1.00 0.00 H ATOM 726 H GLU A 46 17.157 -0.927 6.705 1.00 0.00 H ATOM 727 N ALA A 47 20.625 0.195 4.895 1.00 1.00 N ATOM 728 CA ALA A 47 21.206 1.526 4.702 1.00 1.00 C ATOM 729 C ALA A 47 20.979 2.012 3.278 1.00 1.00 C ATOM 730 O ALA A 47 21.071 1.237 2.327 1.00 1.00 O ATOM 731 CB ALA A 47 22.710 1.487 4.991 1.00 1.00 C ATOM 732 HA ALA A 47 20.718 2.215 5.392 1.00 0.00 H ATOM 733 HB1 ALA A 47 22.873 1.170 6.021 1.00 0.00 H ATOM 734 HB2 ALA A 47 23.191 0.783 4.312 1.00 0.00 H ATOM 735 HB3 ALA A 47 23.133 2.481 4.845 1.00 0.00 H ATOM 736 H ALA A 47 21.180 -0.643 4.628 1.00 0.00 H ATOM 737 N HIS A 48 20.682 3.298 3.143 1.00 1.00 N ATOM 738 CA HIS A 48 20.439 3.888 1.832 1.00 1.00 C ATOM 739 C HIS A 48 20.628 5.403 1.882 1.00 1.00 C ATOM 740 O HIS A 48 20.514 6.019 2.942 1.00 1.00 O ATOM 741 CB HIS A 48 19.020 3.544 1.364 1.00 1.00 C ATOM 742 CG HIS A 48 18.909 2.065 1.136 1.00 1.00 C ATOM 743 ND1 HIS A 48 19.580 1.430 0.103 1.00 1.00 N ATOM 744 CD2 HIS A 48 18.209 1.078 1.791 1.00 1.00 C ATOM 745 CE1 HIS A 48 19.274 0.122 0.164 1.00 1.00 C ATOM 746 NE2 HIS A 48 18.442 -0.145 1.175 1.00 1.00 N ATOM 747 HA HIS A 48 21.158 3.477 1.123 1.00 0.00 H ATOM 748 HB2 HIS A 48 18.303 3.849 2.126 1.00 0.00 H ATOM 749 HB3 HIS A 48 18.807 4.072 0.434 1.00 0.00 H ATOM 750 HD2 HIS A 48 17.570 1.232 2.660 1.00 0.00 H ATOM 751 HE1 HIS A 48 19.658 -0.629 -0.527 1.00 0.00 H ATOM 752 H HIS A 48 20.621 3.898 3.990 1.00 0.00 H ATOM 753 N SER A 49 20.935 5.998 0.734 1.00 1.00 N ATOM 754 CA SER A 49 21.164 7.440 0.667 1.00 1.00 C ATOM 755 C SER A 49 19.950 8.211 1.184 1.00 1.00 C ATOM 756 O SER A 49 18.878 7.651 1.381 1.00 1.00 O ATOM 757 CB SER A 49 21.441 7.843 -0.784 1.00 1.00 C ATOM 758 OG SER A 49 22.759 7.448 -1.143 1.00 1.00 O ATOM 759 HA SER A 49 22.021 7.684 1.294 1.00 0.00 H ATOM 760 HB2 SER A 49 21.345 8.924 -0.886 1.00 0.00 H ATOM 761 HB3 SER A 49 20.723 7.352 -1.441 1.00 0.00 H ATOM 762 HG SER A 49 22.937 7.709 -2.081 1.00 0.00 H ATOM 763 H SER A 49 21.014 5.428 -0.132 1.00 0.00 H ATOM 764 N ASP A 50 20.129 9.502 1.424 1.00 1.00 N ATOM 765 CA ASP A 50 19.033 10.314 1.934 1.00 1.00 C ATOM 766 C ASP A 50 17.884 10.322 0.931 1.00 1.00 C ATOM 767 O ASP A 50 16.737 10.047 1.285 1.00 1.00 O ATOM 768 CB ASP A 50 19.524 11.740 2.180 1.00 1.00 C ATOM 769 CG ASP A 50 20.454 11.768 3.387 1.00 1.00 C ATOM 770 OD1 ASP A 50 20.472 10.791 4.119 1.00 1.00 O ATOM 771 OD2 ASP A 50 21.140 12.762 3.560 1.00 1.00 O ATOM 772 HA ASP A 50 18.677 9.891 2.874 1.00 0.00 H ATOM 773 HB2 ASP A 50 20.062 12.094 1.301 1.00 0.00 H ATOM 774 HB3 ASP A 50 18.669 12.390 2.367 1.00 0.00 H ATOM 775 H ASP A 50 21.057 9.937 1.247 1.00 0.00 H ATOM 776 N LYS A 51 18.194 10.654 -0.319 1.00 1.00 N ATOM 777 CA LYS A 51 17.167 10.710 -1.351 1.00 1.00 C ATOM 778 C LYS A 51 16.385 9.404 -1.369 1.00 1.00 C ATOM 779 O LYS A 51 15.177 9.392 -1.624 1.00 1.00 O ATOM 780 CB LYS A 51 17.821 10.937 -2.717 1.00 1.00 C ATOM 781 CG LYS A 51 18.911 9.886 -2.940 1.00 1.00 C ATOM 782 CD LYS A 51 19.634 10.165 -4.262 1.00 1.00 C ATOM 783 CE LYS A 51 20.774 9.160 -4.444 1.00 1.00 C ATOM 784 NZ LYS A 51 20.217 7.845 -4.869 1.00 1.00 N ATOM 785 HA LYS A 51 16.486 11.534 -1.136 1.00 0.00 H ATOM 786 HB2 LYS A 51 17.067 10.852 -3.500 1.00 0.00 H ATOM 787 HB3 LYS A 51 18.264 11.933 -2.748 1.00 0.00 H ATOM 788 HG2 LYS A 51 19.627 9.926 -2.119 1.00 0.00 H ATOM 789 HG3 LYS A 51 18.458 8.895 -2.977 1.00 0.00 H ATOM 790 HD2 LYS A 51 18.930 10.069 -5.088 1.00 0.00 H ATOM 791 HD3 LYS A 51 20.040 11.176 -4.248 1.00 0.00 H ATOM 792 HE2 LYS A 51 21.307 9.041 -3.501 1.00 0.00 H ATOM 793 HE3 LYS A 51 21.463 9.526 -5.206 1.00 0.00 H ATOM 794 HZ1 LYS A 51 19.561 7.496 -4.141 1.00 0.00 H ATOM 795 HZ2 LYS A 51 19.709 7.960 -5.769 1.00 0.00 H ATOM 796 HZ3 LYS A 51 20.994 7.164 -4.992 1.00 0.00 H ATOM 797 H LYS A 51 19.180 10.876 -0.563 1.00 0.00 H ATOM 798 N ALA A 52 17.072 8.307 -1.077 1.00 1.00 N ATOM 799 CA ALA A 52 16.414 7.010 -1.041 1.00 1.00 C ATOM 800 C ALA A 52 15.391 6.982 0.093 1.00 1.00 C ATOM 801 O ALA A 52 14.226 6.712 -0.132 1.00 1.00 O ATOM 802 CB ALA A 52 17.445 5.917 -0.796 1.00 1.00 C ATOM 803 HA ALA A 52 15.915 6.841 -1.995 1.00 0.00 H ATOM 804 HB1 ALA A 52 18.181 5.927 -1.600 1.00 0.00 H ATOM 805 HB2 ALA A 52 17.943 6.096 0.157 1.00 0.00 H ATOM 806 HB3 ALA A 52 16.946 4.948 -0.770 1.00 0.00 H ATOM 807 H ALA A 52 18.089 8.375 -0.872 1.00 0.00 H ATOM 808 N LYS A 53 15.839 7.287 1.308 1.00 1.00 N ATOM 809 CA LYS A 53 14.935 7.283 2.462 1.00 1.00 C ATOM 810 C LYS A 53 13.721 8.167 2.192 1.00 1.00 C ATOM 811 O LYS A 53 12.581 7.745 2.385 1.00 1.00 O ATOM 812 CB LYS A 53 15.681 7.792 3.715 1.00 1.00 C ATOM 813 CG LYS A 53 16.208 6.610 4.539 1.00 1.00 C ATOM 814 CD LYS A 53 17.308 5.887 3.761 1.00 1.00 C ATOM 815 CE LYS A 53 18.216 5.134 4.732 1.00 1.00 C ATOM 816 NZ LYS A 53 17.429 4.083 5.433 1.00 1.00 N ATOM 817 HA LYS A 53 14.594 6.262 2.633 1.00 0.00 H ATOM 818 HB2 LYS A 53 16.519 8.417 3.406 1.00 0.00 H ATOM 819 HB3 LYS A 53 14.997 8.380 4.327 1.00 0.00 H ATOM 820 HG2 LYS A 53 16.613 6.978 5.482 1.00 0.00 H ATOM 821 HG3 LYS A 53 15.392 5.917 4.741 1.00 0.00 H ATOM 822 HD2 LYS A 53 16.856 5.180 3.065 1.00 0.00 H ATOM 823 HD3 LYS A 53 17.897 6.616 3.204 1.00 0.00 H ATOM 824 HE2 LYS A 53 18.624 5.831 5.464 1.00 0.00 H ATOM 825 HE3 LYS A 53 19.033 4.669 4.180 1.00 0.00 H ATOM 826 HZ1 LYS A 53 16.650 4.528 5.960 1.00 0.00 H ATOM 827 HZ2 LYS A 53 17.041 3.418 4.734 1.00 0.00 H ATOM 828 HZ3 LYS A 53 18.048 3.571 6.094 1.00 0.00 H ATOM 829 H LYS A 53 16.841 7.531 1.441 1.00 0.00 H ATOM 830 N GLU A 54 13.971 9.386 1.744 1.00 1.00 N ATOM 831 CA GLU A 54 12.887 10.309 1.458 1.00 1.00 C ATOM 832 C GLU A 54 11.913 9.671 0.482 1.00 1.00 C ATOM 833 O GLU A 54 10.700 9.834 0.608 1.00 1.00 O ATOM 834 CB GLU A 54 13.461 11.611 0.873 1.00 1.00 C ATOM 835 CG GLU A 54 13.772 12.596 2.000 1.00 1.00 C ATOM 836 CD GLU A 54 14.834 12.012 2.927 1.00 1.00 C ATOM 837 OE1 GLU A 54 15.984 11.965 2.524 1.00 1.00 O ATOM 838 OE2 GLU A 54 14.481 11.620 4.027 1.00 1.00 O ATOM 839 HA GLU A 54 12.353 10.542 2.379 1.00 0.00 H ATOM 840 HB2 GLU A 54 14.376 11.388 0.325 1.00 0.00 H ATOM 841 HB3 GLU A 54 12.732 12.055 0.195 1.00 0.00 H ATOM 842 HG2 GLU A 54 14.139 13.529 1.573 1.00 0.00 H ATOM 843 HG3 GLU A 54 12.863 12.791 2.570 1.00 0.00 H ATOM 844 H GLU A 54 14.955 9.687 1.595 1.00 0.00 H ATOM 845 N SER A 55 12.445 8.946 -0.490 1.00 1.00 N ATOM 846 CA SER A 55 11.594 8.295 -1.468 1.00 1.00 C ATOM 847 C SER A 55 10.689 7.278 -0.778 1.00 1.00 C ATOM 848 O SER A 55 9.501 7.193 -1.070 1.00 1.00 O ATOM 849 CB SER A 55 12.451 7.590 -2.527 1.00 1.00 C ATOM 850 OG SER A 55 11.606 6.995 -3.498 1.00 1.00 O ATOM 851 HA SER A 55 10.977 9.051 -1.955 1.00 0.00 H ATOM 852 HB2 SER A 55 13.057 6.819 -2.051 1.00 0.00 H ATOM 853 HB3 SER A 55 13.104 8.317 -3.010 1.00 0.00 H ATOM 854 HG SER A 55 12.160 6.540 -4.181 1.00 0.00 H ATOM 855 H SER A 55 13.478 8.843 -0.553 1.00 0.00 H ATOM 856 N ILE A 56 11.262 6.495 0.128 1.00 1.00 N ATOM 857 CA ILE A 56 10.493 5.476 0.823 1.00 1.00 C ATOM 858 C ILE A 56 9.466 6.125 1.744 1.00 1.00 C ATOM 859 O ILE A 56 8.317 5.714 1.790 1.00 1.00 O ATOM 860 CB ILE A 56 11.434 4.598 1.658 1.00 1.00 C ATOM 861 CG1 ILE A 56 12.662 4.207 0.834 1.00 1.00 C ATOM 862 CG2 ILE A 56 10.707 3.323 2.079 1.00 1.00 C ATOM 863 CD1 ILE A 56 12.244 3.719 -0.539 1.00 1.00 C ATOM 864 HA ILE A 56 9.976 4.864 0.084 1.00 0.00 H ATOM 865 HB ILE A 56 11.746 5.162 2.537 1.00 0.00 H ATOM 866 HG12 ILE A 56 13.312 5.075 0.724 1.00 0.00 H ATOM 867 HG13 ILE A 56 13.202 3.412 1.349 1.00 0.00 H ATOM 868 HD11 ILE A 56 11.596 2.849 -0.432 1.00 0.00 H ATOM 869 HD12 ILE A 56 11.706 4.513 -1.057 1.00 0.00 H ATOM 870 HD13 ILE A 56 13.130 3.445 -1.111 1.00 0.00 H ATOM 871 HG21 ILE A 56 9.832 3.585 2.674 1.00 0.00 H ATOM 872 HG22 ILE A 56 10.393 2.775 1.191 1.00 0.00 H ATOM 873 HG23 ILE A 56 11.379 2.702 2.672 1.00 0.00 H ATOM 874 H ILE A 56 12.273 6.612 0.343 1.00 0.00 H ATOM 875 N ARG A 57 9.909 7.137 2.480 1.00 1.00 N ATOM 876 CA ARG A 57 9.029 7.838 3.408 1.00 1.00 C ATOM 877 C ARG A 57 7.878 8.513 2.662 1.00 1.00 C ATOM 878 O ARG A 57 6.744 8.541 3.147 1.00 1.00 O ATOM 879 CB ARG A 57 9.811 8.897 4.184 1.00 1.00 C ATOM 880 CG ARG A 57 10.826 8.211 5.098 1.00 1.00 C ATOM 881 CD ARG A 57 11.475 9.252 6.014 1.00 1.00 C ATOM 882 NE ARG A 57 12.479 8.623 6.866 1.00 1.00 N ATOM 883 CZ ARG A 57 12.988 9.263 7.915 1.00 1.00 C ATOM 884 NH1 ARG A 57 12.590 10.473 8.200 1.00 1.00 N ATOM 885 NH2 ARG A 57 13.887 8.680 8.661 1.00 1.00 N ATOM 886 HA ARG A 57 8.622 7.102 4.102 1.00 0.00 H ATOM 887 HB2 ARG A 57 10.334 9.549 3.484 1.00 0.00 H ATOM 888 HB3 ARG A 57 9.122 9.490 4.786 1.00 0.00 H ATOM 889 HG2 ARG A 57 10.320 7.459 5.704 1.00 0.00 H ATOM 890 HG3 ARG A 57 11.594 7.731 4.492 1.00 0.00 H ATOM 891 HD2 ARG A 57 10.708 9.709 6.639 1.00 0.00 H ATOM 892 HD3 ARG A 57 11.951 10.020 5.405 1.00 0.00 H ATOM 893 HE ARG A 57 12.802 7.658 6.649 1.00 0.00 H ATOM 894 HH12 ARG A 57 12.989 10.972 9.021 1.00 0.00 H ATOM 895 HH11 ARG A 57 11.874 10.938 7.606 1.00 0.00 H ATOM 896 HH22 ARG A 57 14.285 9.180 9.481 1.00 0.00 H ATOM 897 HH21 ARG A 57 14.205 7.716 8.435 1.00 0.00 H ATOM 898 H ARG A 57 10.902 7.435 2.393 1.00 0.00 H ATOM 899 N ALA A 58 8.175 9.032 1.470 1.00 1.00 N ATOM 900 CA ALA A 58 7.155 9.691 0.654 1.00 1.00 C ATOM 901 C ALA A 58 6.152 8.667 0.105 1.00 1.00 C ATOM 902 O ALA A 58 4.935 8.813 0.228 1.00 1.00 O ATOM 903 CB ALA A 58 7.831 10.430 -0.503 1.00 1.00 C ATOM 904 HA ALA A 58 6.611 10.402 1.277 1.00 0.00 H ATOM 905 HB1 ALA A 58 8.518 11.176 -0.104 1.00 0.00 H ATOM 906 HB2 ALA A 58 8.383 9.717 -1.115 1.00 0.00 H ATOM 907 HB3 ALA A 58 7.072 10.921 -1.112 1.00 0.00 H ATOM 908 H ALA A 58 9.150 8.967 1.114 1.00 0.00 H ATOM 909 N LYS A 59 6.666 7.619 -0.499 1.00 1.00 N ATOM 910 CA LYS A 59 5.801 6.586 -1.043 1.00 1.00 C ATOM 911 C LYS A 59 5.078 5.856 0.080 1.00 1.00 C ATOM 912 O LYS A 59 3.923 5.457 -0.062 1.00 1.00 O ATOM 913 CB LYS A 59 6.626 5.623 -1.887 1.00 1.00 C ATOM 914 CG LYS A 59 7.271 6.377 -3.065 1.00 1.00 C ATOM 915 CD LYS A 59 6.209 6.987 -3.993 1.00 1.00 C ATOM 916 CE LYS A 59 5.262 5.893 -4.490 1.00 1.00 C ATOM 917 NZ LYS A 59 4.651 6.319 -5.771 1.00 1.00 N ATOM 918 HA LYS A 59 5.045 7.044 -1.681 1.00 0.00 H ATOM 919 HB2 LYS A 59 7.408 5.180 -1.270 1.00 0.00 H ATOM 920 HB3 LYS A 59 5.979 4.835 -2.273 1.00 0.00 H ATOM 921 HG2 LYS A 59 7.900 7.176 -2.673 1.00 0.00 H ATOM 922 HG3 LYS A 59 7.885 5.681 -3.638 1.00 0.00 H ATOM 923 HD2 LYS A 59 5.639 7.738 -3.446 1.00 0.00 H ATOM 924 HD3 LYS A 59 6.700 7.455 -4.846 1.00 0.00 H ATOM 925 HE2 LYS A 59 4.479 5.725 -3.751 1.00 0.00 H ATOM 926 HE3 LYS A 59 5.820 4.969 -4.642 1.00 0.00 H ATOM 927 HZ1 LYS A 59 4.119 7.200 -5.624 1.00 0.00 H ATOM 928 HZ2 LYS A 59 5.400 6.478 -6.475 1.00 0.00 H ATOM 929 HZ3 LYS A 59 4.007 5.576 -6.110 1.00 0.00 H ATOM 930 H LYS A 59 7.698 7.529 -0.588 1.00 0.00 H ATOM 931 N CYS A 60 5.772 5.669 1.188 1.00 1.00 N ATOM 932 CA CYS A 60 5.193 4.977 2.328 1.00 1.00 C ATOM 933 C CYS A 60 3.908 5.669 2.767 1.00 1.00 C ATOM 934 O CYS A 60 2.868 5.025 2.920 1.00 1.00 O ATOM 935 CB CYS A 60 6.193 4.970 3.489 1.00 1.00 C ATOM 936 SG CYS A 60 7.341 3.589 3.288 1.00 1.00 S ATOM 937 HA CYS A 60 4.963 3.952 2.038 1.00 0.00 H ATOM 938 HB2 CYS A 60 5.656 4.862 4.431 1.00 0.00 H ATOM 939 HB3 CYS A 60 6.749 5.907 3.495 1.00 0.00 H ATOM 940 HG CYS A 60 8.021 3.728 2.095 1.00 0.00 H ATOM 941 H CYS A 60 6.748 6.022 1.246 1.00 0.00 H ATOM 942 N VAL A 61 3.982 6.984 2.960 1.00 1.00 N ATOM 943 CA VAL A 61 2.808 7.745 3.374 1.00 1.00 C ATOM 944 C VAL A 61 1.722 7.685 2.303 1.00 1.00 C ATOM 945 O VAL A 61 0.531 7.753 2.609 1.00 1.00 O ATOM 946 CB VAL A 61 3.195 9.200 3.656 1.00 1.00 C ATOM 947 CG1 VAL A 61 3.829 9.817 2.421 1.00 1.00 C ATOM 948 CG2 VAL A 61 1.948 9.996 4.028 1.00 1.00 C ATOM 949 HA VAL A 61 2.413 7.301 4.288 1.00 0.00 H ATOM 950 HB VAL A 61 3.909 9.224 4.479 1.00 0.00 H ATOM 951 HG11 VAL A 61 4.722 9.253 2.152 1.00 0.00 H ATOM 952 HG12 VAL A 61 3.118 9.788 1.596 1.00 0.00 H ATOM 953 HG13 VAL A 61 4.101 10.851 2.632 1.00 0.00 H ATOM 954 HG21 VAL A 61 1.237 9.962 3.202 1.00 0.00 H ATOM 955 HG22 VAL A 61 1.493 9.562 4.918 1.00 0.00 H ATOM 956 HG23 VAL A 61 2.225 11.031 4.228 1.00 0.00 H ATOM 957 H VAL A 61 4.887 7.475 2.814 1.00 0.00 H ATOM 958 N GLN A 62 2.143 7.538 1.047 1.00 1.00 N ATOM 959 CA GLN A 62 1.187 7.444 -0.054 1.00 1.00 C ATOM 960 C GLN A 62 0.451 6.106 -0.011 1.00 1.00 C ATOM 961 O GLN A 62 -0.778 6.049 -0.140 1.00 1.00 O ATOM 962 CB GLN A 62 1.913 7.597 -1.391 1.00 1.00 C ATOM 963 CG GLN A 62 2.351 9.054 -1.567 1.00 1.00 C ATOM 964 CD GLN A 62 3.211 9.196 -2.816 1.00 1.00 C ATOM 965 OE1 GLN A 62 2.864 8.671 -3.873 1.00 1.00 O ATOM 966 NE2 GLN A 62 4.321 9.883 -2.758 1.00 1.00 N ATOM 967 HA GLN A 62 0.457 8.247 0.051 1.00 0.00 H ATOM 968 HB2 GLN A 62 2.789 6.949 -1.406 1.00 0.00 H ATOM 969 HB3 GLN A 62 1.242 7.318 -2.204 1.00 0.00 H ATOM 970 HG2 GLN A 62 1.469 9.687 -1.663 1.00 0.00 H ATOM 971 HG3 GLN A 62 2.927 9.365 -0.695 1.00 0.00 H ATOM 972 HE22 GLN A 62 4.612 10.326 -1.863 1.00 0.00 H ATOM 973 HE21 GLN A 62 4.913 9.987 -3.607 1.00 0.00 H ATOM 974 H GLN A 62 3.163 7.490 0.848 1.00 0.00 H ATOM 975 N TYR A 63 1.208 5.030 0.177 1.00 1.00 N ATOM 976 CA TYR A 63 0.617 3.702 0.237 1.00 1.00 C ATOM 977 C TYR A 63 -0.329 3.592 1.418 1.00 1.00 C ATOM 978 O TYR A 63 -1.456 3.117 1.274 1.00 1.00 O ATOM 979 CB TYR A 63 1.719 2.641 0.356 1.00 1.00 C ATOM 980 CG TYR A 63 2.626 2.666 -0.860 1.00 1.00 C ATOM 981 CD1 TYR A 63 2.086 2.738 -2.148 1.00 1.00 C ATOM 982 CD2 TYR A 63 4.015 2.625 -0.697 1.00 1.00 C ATOM 983 CE1 TYR A 63 2.920 2.778 -3.261 1.00 1.00 C ATOM 984 CE2 TYR A 63 4.851 2.663 -1.815 1.00 1.00 C ATOM 985 CZ TYR A 63 4.303 2.746 -3.098 1.00 1.00 C ATOM 986 OH TYR A 63 5.123 2.783 -4.203 1.00 1.00 O ATOM 987 HA TYR A 63 0.053 3.534 -0.680 1.00 0.00 H ATOM 988 HB3 TYR A 63 1.259 1.656 0.439 1.00 0.00 H ATOM 989 HB2 TYR A 63 2.312 2.840 1.249 1.00 0.00 H ATOM 990 HD2 TYR A 63 4.445 2.563 0.303 1.00 0.00 H ATOM 991 HE2 TYR A 63 5.933 2.628 -1.687 1.00 0.00 H ATOM 992 HE1 TYR A 63 2.491 2.834 -4.261 1.00 0.00 H ATOM 993 HD1 TYR A 63 1.004 2.763 -2.281 1.00 0.00 H ATOM 994 HH TYR A 63 4.569 2.841 -5.022 1.00 0.00 H ATOM 995 H TYR A 63 2.237 5.139 0.283 1.00 0.00 H ATOM 996 N LEU A 64 0.129 4.025 2.585 1.00 1.00 N ATOM 997 CA LEU A 64 -0.709 3.949 3.769 1.00 1.00 C ATOM 998 C LEU A 64 -1.974 4.760 3.575 1.00 1.00 C ATOM 999 O LEU A 64 -3.070 4.263 3.814 1.00 1.00 O ATOM 1000 CB LEU A 64 0.067 4.474 4.985 1.00 1.00 C ATOM 1001 CG LEU A 64 0.786 3.325 5.692 1.00 1.00 C ATOM 1002 CD1 LEU A 64 1.807 3.895 6.681 1.00 1.00 C ATOM 1003 CD2 LEU A 64 -0.233 2.433 6.438 1.00 1.00 C ATOM 1004 HA LEU A 64 -0.986 2.908 3.938 1.00 0.00 H ATOM 1005 HB2 LEU A 64 0.801 5.208 4.654 1.00 0.00 H ATOM 1006 HB3 LEU A 64 -0.628 4.945 5.680 1.00 0.00 H ATOM 1007 HG LEU A 64 1.302 2.715 4.950 1.00 0.00 H ATOM 1008 HD21 LEU A 64 -0.764 3.031 7.179 1.00 0.00 H ATOM 1009 HD22 LEU A 64 -0.946 2.022 5.723 1.00 0.00 H ATOM 1010 HD23 LEU A 64 0.294 1.620 6.936 1.00 0.00 H ATOM 1011 HD11 LEU A 64 2.534 4.503 6.141 1.00 0.00 H ATOM 1012 HD12 LEU A 64 1.292 4.511 7.418 1.00 0.00 H ATOM 1013 HD13 LEU A 64 2.319 3.076 7.185 1.00 0.00 H ATOM 1014 H LEU A 64 1.089 4.419 2.652 1.00 0.00 H ATOM 1015 N ASP A 65 -1.838 6.006 3.138 1.00 1.00 N ATOM 1016 CA ASP A 65 -3.002 6.848 2.938 1.00 1.00 C ATOM 1017 C ASP A 65 -4.041 6.105 2.116 1.00 1.00 C ATOM 1018 O ASP A 65 -5.228 6.097 2.455 1.00 1.00 O ATOM 1019 CB ASP A 65 -2.568 8.116 2.198 1.00 1.00 C ATOM 1020 CG ASP A 65 -3.768 9.015 1.937 1.00 1.00 C ATOM 1021 OD1 ASP A 65 -4.403 9.417 2.897 1.00 1.00 O ATOM 1022 OD2 ASP A 65 -4.035 9.290 0.778 1.00 1.00 O ATOM 1023 HA ASP A 65 -3.439 7.110 3.902 1.00 0.00 H ATOM 1024 HB2 ASP A 65 -1.840 8.655 2.805 1.00 0.00 H ATOM 1025 HB3 ASP A 65 -2.113 7.839 1.247 1.00 0.00 H ATOM 1026 H ASP A 65 -0.889 6.382 2.937 1.00 0.00 H ATOM 1027 N ARG A 66 -3.595 5.467 1.042 1.00 1.00 N ATOM 1028 CA ARG A 66 -4.514 4.712 0.204 1.00 1.00 C ATOM 1029 C ARG A 66 -5.154 3.591 1.024 1.00 1.00 C ATOM 1030 O ARG A 66 -6.354 3.339 0.938 1.00 1.00 O ATOM 1031 CB ARG A 66 -3.757 4.131 -0.989 1.00 1.00 C ATOM 1032 CG ARG A 66 -3.331 5.265 -1.934 1.00 1.00 C ATOM 1033 CD ARG A 66 -4.503 5.696 -2.819 1.00 1.00 C ATOM 1034 NE ARG A 66 -5.035 4.540 -3.532 1.00 1.00 N ATOM 1035 CZ ARG A 66 -6.060 4.660 -4.363 1.00 1.00 C ATOM 1036 NH1 ARG A 66 -6.609 5.827 -4.554 1.00 1.00 N ATOM 1037 NH2 ARG A 66 -6.519 3.611 -4.987 1.00 1.00 N ATOM 1038 HA ARG A 66 -5.300 5.371 -0.164 1.00 0.00 H ATOM 1039 HB2 ARG A 66 -2.872 3.603 -0.634 1.00 0.00 H ATOM 1040 HB3 ARG A 66 -4.403 3.436 -1.525 1.00 0.00 H ATOM 1041 HG2 ARG A 66 -2.995 6.117 -1.343 1.00 0.00 H ATOM 1042 HG3 ARG A 66 -2.513 4.918 -2.566 1.00 0.00 H ATOM 1043 HD2 ARG A 66 -4.159 6.439 -3.539 1.00 0.00 H ATOM 1044 HD3 ARG A 66 -5.286 6.130 -2.197 1.00 0.00 H ATOM 1045 HE ARG A 66 -4.602 3.606 -3.386 1.00 0.00 H ATOM 1046 HH12 ARG A 66 -7.414 5.923 -5.206 1.00 0.00 H ATOM 1047 HH11 ARG A 66 -6.242 6.662 -4.054 1.00 0.00 H ATOM 1048 HH22 ARG A 66 -7.324 3.705 -5.639 1.00 0.00 H ATOM 1049 HH21 ARG A 66 -6.081 2.681 -4.832 1.00 0.00 H ATOM 1050 H ARG A 66 -2.585 5.507 0.798 1.00 0.00 H ATOM 1051 N ALA A 67 -4.341 2.903 1.805 1.00 1.00 N ATOM 1052 CA ALA A 67 -4.842 1.808 2.625 1.00 1.00 C ATOM 1053 C ALA A 67 -5.873 2.328 3.628 1.00 1.00 C ATOM 1054 O ALA A 67 -6.855 1.651 3.933 1.00 1.00 O ATOM 1055 CB ALA A 67 -3.679 1.150 3.379 1.00 1.00 C ATOM 1056 HA ALA A 67 -5.317 1.072 1.976 1.00 0.00 H ATOM 1057 HB1 ALA A 67 -2.956 0.762 2.662 1.00 0.00 H ATOM 1058 HB2 ALA A 67 -3.198 1.890 4.019 1.00 0.00 H ATOM 1059 HB3 ALA A 67 -4.060 0.332 3.990 1.00 0.00 H ATOM 1060 H ALA A 67 -3.330 3.146 1.835 1.00 0.00 H ATOM 1061 N GLU A 68 -5.634 3.531 4.145 1.00 1.00 N ATOM 1062 CA GLU A 68 -6.532 4.129 5.120 1.00 1.00 C ATOM 1063 C GLU A 68 -7.908 4.377 4.525 1.00 1.00 C ATOM 1064 O GLU A 68 -8.912 3.910 5.058 1.00 1.00 O ATOM 1065 CB GLU A 68 -5.952 5.461 5.604 1.00 1.00 C ATOM 1066 CG GLU A 68 -4.722 5.207 6.473 1.00 1.00 C ATOM 1067 CD GLU A 68 -4.061 6.531 6.849 1.00 1.00 C ATOM 1068 OE1 GLU A 68 -4.578 7.564 6.454 1.00 1.00 O ATOM 1069 OE2 GLU A 68 -3.046 6.493 7.526 1.00 1.00 O ATOM 1070 HA GLU A 68 -6.633 3.434 5.954 1.00 0.00 H ATOM 1071 HB2 GLU A 68 -5.668 6.066 4.743 1.00 0.00 H ATOM 1072 HB3 GLU A 68 -6.704 5.992 6.188 1.00 0.00 H ATOM 1073 HG2 GLU A 68 -5.023 4.684 7.381 1.00 0.00 H ATOM 1074 HG3 GLU A 68 -4.011 4.593 5.921 1.00 0.00 H ATOM 1075 H GLU A 68 -4.787 4.055 3.845 1.00 0.00 H ATOM 1076 N LYS A 69 -7.952 5.113 3.422 1.00 1.00 N ATOM 1077 CA LYS A 69 -9.226 5.413 2.787 1.00 1.00 C ATOM 1078 C LYS A 69 -9.918 4.125 2.344 1.00 1.00 C ATOM 1079 O LYS A 69 -11.140 4.005 2.419 1.00 1.00 O ATOM 1080 CB LYS A 69 -9.010 6.341 1.587 1.00 1.00 C ATOM 1081 CG LYS A 69 -8.194 5.620 0.532 1.00 1.00 C ATOM 1082 CD LYS A 69 -7.907 6.551 -0.647 1.00 1.00 C ATOM 1083 CE LYS A 69 -9.223 7.037 -1.264 1.00 1.00 C ATOM 1084 NZ LYS A 69 -8.988 7.465 -2.667 1.00 1.00 N ATOM 1085 HA LYS A 69 -9.867 5.917 3.510 1.00 0.00 H ATOM 1086 HB2 LYS A 69 -9.975 6.625 1.169 1.00 0.00 H ATOM 1087 HB3 LYS A 69 -8.478 7.236 1.910 1.00 0.00 H ATOM 1088 HG2 LYS A 69 -7.251 5.292 0.969 1.00 0.00 H ATOM 1089 HG3 LYS A 69 -8.750 4.752 0.178 1.00 0.00 H ATOM 1090 HD2 LYS A 69 -7.333 7.409 -0.298 1.00 0.00 H ATOM 1091 HD3 LYS A 69 -7.332 6.013 -1.400 1.00 0.00 H ATOM 1092 HE2 LYS A 69 -9.605 7.879 -0.687 1.00 0.00 H ATOM 1093 HE3 LYS A 69 -9.952 6.227 -1.249 1.00 0.00 H ATOM 1094 HZ1 LYS A 69 -8.293 8.239 -2.680 1.00 0.00 H ATOM 1095 HZ2 LYS A 69 -8.624 6.661 -3.217 1.00 0.00 H ATOM 1096 HZ3 LYS A 69 -9.883 7.794 -3.082 1.00 0.00 H ATOM 1097 H LYS A 69 -7.070 5.478 3.009 1.00 0.00 H ATOM 1098 N LEU A 70 -9.119 3.166 1.875 1.00 1.00 N ATOM 1099 CA LEU A 70 -9.665 1.901 1.405 1.00 1.00 C ATOM 1100 C LEU A 70 -10.410 1.201 2.520 1.00 1.00 C ATOM 1101 O LEU A 70 -11.550 0.774 2.354 1.00 1.00 O ATOM 1102 CB LEU A 70 -8.534 1.001 0.877 1.00 1.00 C ATOM 1103 CG LEU A 70 -8.117 1.470 -0.532 1.00 1.00 C ATOM 1104 CD1 LEU A 70 -6.739 0.901 -0.879 1.00 1.00 C ATOM 1105 CD2 LEU A 70 -9.144 0.987 -1.585 1.00 1.00 C ATOM 1106 HA LEU A 70 -10.364 2.103 0.594 1.00 0.00 H ATOM 1107 HB2 LEU A 70 -7.678 1.062 1.549 1.00 0.00 H ATOM 1108 HB3 LEU A 70 -8.883 -0.030 0.828 1.00 0.00 H ATOM 1109 HG LEU A 70 -8.080 2.559 -0.539 1.00 0.00 H ATOM 1110 HD21 LEU A 70 -9.192 -0.102 -1.571 1.00 0.00 H ATOM 1111 HD22 LEU A 70 -10.125 1.398 -1.349 1.00 0.00 H ATOM 1112 HD23 LEU A 70 -8.835 1.326 -2.574 1.00 0.00 H ATOM 1113 HD11 LEU A 70 -6.008 1.252 -0.150 1.00 0.00 H ATOM 1114 HD12 LEU A 70 -6.781 -0.188 -0.858 1.00 0.00 H ATOM 1115 HD13 LEU A 70 -6.450 1.235 -1.875 1.00 0.00 H ATOM 1116 H LEU A 70 -8.092 3.324 1.845 1.00 0.00 H ATOM 1117 N LYS A 71 -9.771 1.133 3.660 1.00 1.00 N ATOM 1118 CA LYS A 71 -10.360 0.525 4.838 1.00 1.00 C ATOM 1119 C LYS A 71 -11.450 1.418 5.417 1.00 1.00 C ATOM 1120 O LYS A 71 -12.330 0.947 6.150 1.00 1.00 O ATOM 1121 CB LYS A 71 -9.295 0.279 5.905 1.00 1.00 C ATOM 1122 CG LYS A 71 -9.881 -0.602 7.016 1.00 1.00 C ATOM 1123 CD LYS A 71 -8.777 -1.013 7.994 1.00 1.00 C ATOM 1124 CE LYS A 71 -8.079 0.234 8.540 1.00 1.00 C ATOM 1125 NZ LYS A 71 -9.101 1.273 8.851 1.00 1.00 N ATOM 1126 HA LYS A 71 -10.797 -0.427 4.537 1.00 0.00 H ATOM 1127 HB2 LYS A 71 -8.439 -0.224 5.455 1.00 0.00 H ATOM 1128 HB3 LYS A 71 -8.975 1.232 6.327 1.00 0.00 H ATOM 1129 HG2 LYS A 71 -10.649 -0.045 7.552 1.00 0.00 H ATOM 1130 HG3 LYS A 71 -10.323 -1.495 6.574 1.00 0.00 H ATOM 1131 HD2 LYS A 71 -9.215 -1.574 8.820 1.00 0.00 H ATOM 1132 HD3 LYS A 71 -8.049 -1.638 7.477 1.00 0.00 H ATOM 1133 HE2 LYS A 71 -7.383 0.619 7.794 1.00 0.00 H ATOM 1134 HE3 LYS A 71 -7.532 -0.022 9.447 1.00 0.00 H ATOM 1135 HZ1 LYS A 71 -9.622 1.516 7.984 1.00 0.00 H ATOM 1136 HZ2 LYS A 71 -9.763 0.904 9.563 1.00 0.00 H ATOM 1137 HZ3 LYS A 71 -8.629 2.122 9.222 1.00 0.00 H ATOM 1138 H LYS A 71 -8.811 1.527 3.723 1.00 0.00 H ATOM 1139 N ASP A 72 -11.390 2.715 5.118 1.00 1.00 N ATOM 1140 CA ASP A 72 -12.360 3.664 5.654 1.00 1.00 C ATOM 1141 C ASP A 72 -13.770 3.433 5.114 1.00 1.00 C ATOM 1142 O ASP A 72 -14.720 3.215 5.874 1.00 1.00 O ATOM 1143 CB ASP A 72 -11.920 5.082 5.255 1.00 1.00 C ATOM 1144 CG ASP A 72 -12.690 6.116 6.067 1.00 1.00 C ATOM 1145 OD1 ASP A 72 -13.270 5.734 7.070 1.00 1.00 O ATOM 1146 OD2 ASP A 72 -12.700 7.272 5.673 1.00 1.00 O ATOM 1147 HA ASP A 72 -12.391 3.531 6.735 1.00 0.00 H ATOM 1148 HB2 ASP A 72 -10.853 5.196 5.445 1.00 0.00 H ATOM 1149 HB3 ASP A 72 -12.117 5.236 4.194 1.00 0.00 H ATOM 1150 H ASP A 72 -10.636 3.058 4.489 1.00 0.00 H ATOM 1151 N TYR A 73 -13.890 3.463 3.797 1.00 1.00 N ATOM 1152 CA TYR A 73 -15.190 3.261 3.176 1.00 1.00 C ATOM 1153 C TYR A 73 -15.560 1.785 3.194 1.00 1.00 C ATOM 1154 O TYR A 73 -16.730 1.435 3.244 1.00 1.00 O ATOM 1155 CB TYR A 73 -15.220 3.829 1.754 1.00 1.00 C ATOM 1156 CG TYR A 73 -14.550 2.880 0.800 1.00 1.00 C ATOM 1157 CD1 TYR A 73 -15.210 1.721 0.380 1.00 1.00 C ATOM 1158 CD2 TYR A 73 -13.260 3.151 0.340 1.00 1.00 C ATOM 1159 CE1 TYR A 73 -14.590 0.839 -0.490 1.00 1.00 C ATOM 1160 CE2 TYR A 73 -12.650 2.270 -0.539 1.00 1.00 C ATOM 1161 CZ TYR A 73 -13.310 1.116 -0.952 1.00 1.00 C ATOM 1162 OH TYR A 73 -12.680 0.243 -1.798 1.00 1.00 O ATOM 1163 HA TYR A 73 -15.936 3.805 3.755 1.00 0.00 H ATOM 1164 HB3 TYR A 73 -14.697 4.785 1.737 1.00 0.00 H ATOM 1165 HB2 TYR A 73 -16.255 3.977 1.447 1.00 0.00 H ATOM 1166 HD2 TYR A 73 -12.737 4.049 0.670 1.00 0.00 H ATOM 1167 HE2 TYR A 73 -11.647 2.482 -0.909 1.00 0.00 H ATOM 1168 HE1 TYR A 73 -15.104 -0.067 -0.810 1.00 0.00 H ATOM 1169 HD1 TYR A 73 -16.217 1.510 0.739 1.00 0.00 H ATOM 1170 HH TYR A 73 -13.282 -0.519 -1.992 1.00 0.00 H ATOM 1171 H TYR A 73 -13.053 3.631 3.204 1.00 0.00 H ATOM 1172 N LEU A 74 -14.550 0.921 3.161 1.00 1.00 N ATOM 1173 CA LEU A 74 -14.810 -0.512 3.191 1.00 1.00 C ATOM 1174 C LEU A 74 -15.530 -0.870 4.486 1.00 1.00 C ATOM 1175 O LEU A 74 -16.530 -1.587 4.470 1.00 1.00 O ATOM 1176 CB LEU A 74 -13.480 -1.269 3.118 1.00 1.00 C ATOM 1177 CG LEU A 74 -13.040 -1.454 1.658 1.00 1.00 C ATOM 1178 CD1 LEU A 74 -11.560 -1.944 1.600 1.00 1.00 C ATOM 1179 CD2 LEU A 74 -13.980 -2.471 0.967 1.00 1.00 C ATOM 1180 HA LEU A 74 -15.434 -0.789 2.342 1.00 0.00 H ATOM 1181 HB2 LEU A 74 -12.717 -0.704 3.653 1.00 0.00 H ATOM 1182 HB3 LEU A 74 -13.599 -2.248 3.583 1.00 0.00 H ATOM 1183 HG LEU A 74 -13.102 -0.500 1.134 1.00 0.00 H ATOM 1184 HD21 LEU A 74 -13.927 -3.426 1.489 1.00 0.00 H ATOM 1185 HD22 LEU A 74 -15.003 -2.096 0.996 1.00 0.00 H ATOM 1186 HD23 LEU A 74 -13.670 -2.604 -0.069 1.00 0.00 H ATOM 1187 HD11 LEU A 74 -10.915 -1.206 2.077 1.00 0.00 H ATOM 1188 HD12 LEU A 74 -11.473 -2.896 2.123 1.00 0.00 H ATOM 1189 HD13 LEU A 74 -11.261 -2.071 0.559 1.00 0.00 H ATOM 1190 H LEU A 74 -13.571 1.269 3.114 1.00 0.00 H ATOM 1191 N ARG A 75 -15.020 -0.357 5.601 1.00 1.00 N ATOM 1192 CA ARG A 75 -15.640 -0.619 6.886 1.00 1.00 C ATOM 1193 C ARG A 75 -17.050 -0.029 6.901 1.00 1.00 C ATOM 1194 O ARG A 75 -18.000 -0.669 7.353 1.00 1.00 O ATOM 1195 CB ARG A 75 -14.800 -0.020 8.013 1.00 1.00 C ATOM 1196 CG ARG A 75 -15.540 -0.170 9.343 1.00 1.00 C ATOM 1197 CD ARG A 75 -14.620 0.265 10.488 1.00 1.00 C ATOM 1198 NE ARG A 75 -15.260 -0.025 11.772 1.00 1.00 N ATOM 1199 CZ ARG A 75 -16.130 0.817 12.317 1.00 1.00 C ATOM 1200 NH1 ARG A 75 -16.440 1.923 11.699 1.00 1.00 N ATOM 1201 NH2 ARG A 75 -16.680 0.536 13.469 1.00 1.00 N ATOM 1202 HA ARG A 75 -15.701 -1.696 7.042 1.00 0.00 H ATOM 1203 HB2 ARG A 75 -13.844 -0.541 8.069 1.00 0.00 H ATOM 1204 HB3 ARG A 75 -14.625 1.037 7.813 1.00 0.00 H ATOM 1205 HG2 ARG A 75 -16.433 0.455 9.336 1.00 0.00 H ATOM 1206 HG3 ARG A 75 -15.829 -1.212 9.484 1.00 0.00 H ATOM 1207 HD2 ARG A 75 -14.428 1.335 10.412 1.00 0.00 H ATOM 1208 HD3 ARG A 75 -13.677 -0.278 10.422 1.00 0.00 H ATOM 1209 HE ARG A 75 -15.028 -0.909 12.268 1.00 0.00 H ATOM 1210 HH12 ARG A 75 -17.121 2.583 12.125 1.00 0.00 H ATOM 1211 HH11 ARG A 75 -16.006 2.145 10.780 1.00 0.00 H ATOM 1212 HH22 ARG A 75 -17.361 1.196 13.895 1.00 0.00 H ATOM 1213 HH21 ARG A 75 -16.436 -0.348 13.960 1.00 0.00 H ATOM 1214 H ARG A 75 -14.168 0.238 5.552 1.00 0.00 H TER 1215 ARG A 75 HETATM 1216 N ILE A 1 16.872 3.537 -7.396 1.00 0.24 N HETATM 1217 CA ILE A 1 15.623 3.237 -6.689 1.00 0.07 C HETATM 1218 CB ILE A 1 15.600 3.958 -5.339 1.00 0.02 C HETATM 1219 CG2 ILE A 1 14.257 3.722 -4.639 1.00 -0.06 C HETATM 1220 H8 ILE A 1 13.444 4.122 -5.262 1.00 0.02 H HETATM 1221 H9 ILE A 1 14.257 4.232 -3.664 1.00 0.02 H HETATM 1222 H10 ILE A 1 14.107 2.643 -4.489 1.00 0.02 H HETATM 1223 CG1 ILE A 1 16.716 3.403 -4.473 1.00 -0.05 C HETATM 1224 CD1 ILE A 1 16.865 4.249 -3.224 1.00 -0.06 C HETATM 1225 H11 ILE A 1 17.675 3.842 -2.600 1.00 0.02 H HETATM 1226 H12 ILE A 1 15.923 4.234 -2.657 1.00 0.02 H HETATM 1227 H13 ILE A 1 17.106 5.284 -3.509 1.00 0.02 H HETATM 1228 H6 ILE A 1 17.659 3.418 -5.039 1.00 0.03 H HETATM 1229 H7 ILE A 1 16.476 2.368 -4.187 1.00 0.03 H HETATM 1230 H5 ILE A 1 15.749 5.037 -5.494 1.00 0.04 H HETATM 1231 C ILE A 1 14.433 3.680 -7.516 1.00 0.23 C HETATM 1232 O ILE A 1 14.235 4.874 -7.749 1.00 -0.39 O HETATM 1233 N ILE A 1 13.632 2.711 -7.952 1.00 -0.26 N HETATM 1234 CA ILE A 1 12.445 3.008 -8.754 1.00 0.13 C HETATM 1235 CB ILE A 1 12.615 2.468 -10.170 1.00 -0.00 C HETATM 1236 CG ILE A 1 13.701 3.266 -10.890 1.00 0.00 C HETATM 1237 CD ILE A 1 13.933 2.692 -12.280 1.00 0.04 C HETATM 1238 OE2 ILE A 1 14.798 3.201 -12.980 1.00 -0.57 O HETATM 1239 OE1 ILE A 1 13.241 1.751 -12.640 1.00 -0.57 O HETATM 1240 H18 ILE A 1 14.636 3.212 -10.313 1.00 0.04 H HETATM 1241 H19 ILE A 1 13.384 4.316 -10.978 1.00 0.04 H HETATM 1242 H16 ILE A 1 11.665 2.565 -10.716 1.00 0.03 H HETATM 1243 H17 ILE A 1 12.906 1.408 -10.126 1.00 0.03 H HETATM 1244 C ILE A 1 11.216 2.386 -8.123 1.00 0.20 C HETATM 1245 O ILE A 1 11.058 1.163 -8.123 1.00 -0.39 O HETATM 1246 N ILE A 1 10.342 3.229 -7.577 1.00 -0.26 N HETATM 1247 CA ILE A 1 9.128 2.742 -6.932 1.00 0.13 C HETATM 1248 CB ILE A 1 8.914 3.467 -5.602 1.00 -0.01 C HETATM 1249 CG ILE A 1 10.164 3.296 -4.707 1.00 -0.04 C HETATM 1250 CD1 ILE A 1 10.304 4.482 -3.751 1.00 -0.06 C HETATM 1251 H25 ILE A 1 11.197 4.344 -3.123 1.00 0.02 H HETATM 1252 H26 ILE A 1 9.412 4.544 -3.111 1.00 0.02 H HETATM 1253 H27 ILE A 1 10.404 5.411 -4.331 1.00 0.02 H HETATM 1254 CD2 ILE A 1 10.046 1.997 -3.889 1.00 -0.06 C HETATM 1255 H28 ILE A 1 9.945 1.141 -4.573 1.00 0.02 H HETATM 1256 H29 ILE A 1 9.161 2.053 -3.238 1.00 0.02 H HETATM 1257 H30 ILE A 1 10.948 1.869 -3.272 1.00 0.02 H HETATM 1258 H24 ILE A 1 11.057 3.242 -5.346 1.00 0.03 H HETATM 1259 H22 ILE A 1 8.038 3.042 -5.091 1.00 0.03 H HETATM 1260 H23 ILE A 1 8.744 4.537 -5.792 1.00 0.03 H HETATM 1261 C ILE A 1 7.906 2.966 -7.823 1.00 0.21 C HETATM 1262 O ILE A 1 7.941 3.786 -8.739 1.00 -0.39 O HETATM 1263 N ILE A 1 6.833 2.263 -7.561 1.00 -0.25 N HETATM 1264 CA ILE A 1 5.571 2.406 -8.352 1.00 0.13 C HETATM 1265 C ILE A 1 4.656 3.481 -7.774 1.00 0.20 C HETATM 1266 O ILE A 1 4.851 3.938 -6.649 1.00 -0.39 O HETATM 1267 N ILE A 1 3.649 3.874 -8.556 1.00 -0.26 N HETATM 1268 CA ILE A 1 2.692 4.892 -8.118 1.00 0.13 C HETATM 1269 CB ILE A 1 2.658 6.043 -9.121 1.00 -0.00 C HETATM 1270 CG ILE A 1 1.755 7.155 -8.583 1.00 0.00 C HETATM 1271 CD ILE A 1 1.773 8.344 -9.536 1.00 0.04 C HETATM 1272 OE2 ILE A 1 0.905 9.192 -9.409 1.00 -0.57 O HETATM 1273 OE1 ILE A 1 2.655 8.391 -10.370 1.00 -0.57 O HETATM 1274 H42 ILE A 1 2.118 7.474 -7.595 1.00 0.04 H HETATM 1275 H43 ILE A 1 0.726 6.777 -8.491 1.00 0.04 H HETATM 1276 H40 ILE A 1 2.263 5.682 -10.082 1.00 0.03 H HETATM 1277 H41 ILE A 1 3.676 6.434 -9.266 1.00 0.03 H HETATM 1278 C ILE A 1 1.301 4.288 -7.989 1.00 0.20 C HETATM 1279 O ILE A 1 0.789 3.670 -8.922 1.00 -0.39 O HETATM 1280 N ILE A 1 0.702 4.463 -6.820 1.00 -0.26 N HETATM 1281 CA ILE A 1 -0.621 3.916 -6.572 1.00 0.13 C HETATM 1282 CB ILE A 1 -1.154 4.411 -5.208 1.00 -0.01 C HETATM 1283 CG2 ILE A 1 -0.565 5.790 -4.912 1.00 -0.06 C HETATM 1284 H50 ILE A 1 -0.852 6.490 -5.710 1.00 0.02 H HETATM 1285 H51 ILE A 1 0.532 5.718 -4.864 1.00 0.02 H HETATM 1286 H52 ILE A 1 -0.951 6.154 -3.948 1.00 0.02 H HETATM 1287 CG1 ILE A 1 -0.745 3.441 -4.084 1.00 -0.06 C HETATM 1288 H47 ILE A 1 -1.133 3.809 -3.123 1.00 0.02 H HETATM 1289 H48 ILE A 1 0.352 3.377 -4.036 1.00 0.02 H HETATM 1290 H49 ILE A 1 -1.162 2.444 -4.290 1.00 0.02 H HETATM 1291 H46 ILE A 1 -2.251 4.479 -5.249 1.00 0.03 H HETATM 1292 C ILE A 1 -1.594 4.319 -7.687 1.00 0.21 C HETATM 1293 O ILE A 1 -1.536 5.440 -8.194 1.00 -0.39 O HETATM 1294 N ILE A 1 -2.489 3.435 -8.057 1.00 -0.25 N HETATM 1295 CA ILE A 1 -3.495 3.722 -9.121 1.00 0.13 C HETATM 1296 C ILE A 1 -4.610 4.633 -8.616 1.00 0.20 C HETATM 1297 O ILE A 1 -5.321 4.294 -7.669 1.00 -0.39 O HETATM 1298 N ILE A 1 -4.764 5.790 -9.256 1.00 -0.26 N HETATM 1299 CA ILE A 1 -5.800 6.731 -8.858 1.00 0.15 C HETATM 1300 CB ILE A 1 -5.433 8.134 -9.342 1.00 0.08 C HETATM 1301 OG ILE A 1 -6.514 9.022 -9.079 1.00 -0.39 O HETATM 1302 H64 ILE A 1 -7.289 8.720 -9.538 1.00 0.21 H HETATM 1303 H62 ILE A 1 -5.234 8.109 -10.423 1.00 0.06 H HETATM 1304 H63 ILE A 1 -4.535 8.482 -8.811 1.00 0.06 H HETATM 1305 C ILE A 1 -7.134 6.324 -9.461 1.00 0.21 C HETATM 1306 O ILE A 1 -7.532 6.825 -10.510 1.00 -0.39 O HETATM 1307 N ILE A 1 -7.827 5.412 -8.784 1.00 -0.26 N HETATM 1308 CA ILE A 1 -9.123 4.946 -9.261 1.00 0.13 C HETATM 1309 CB ILE A 1 -9.371 3.509 -8.795 1.00 -0.00 C HETATM 1310 CG ILE A 1 -8.577 2.542 -9.675 1.00 0.00 C HETATM 1311 CD ILE A 1 -8.686 1.126 -9.123 1.00 0.04 C HETATM 1312 OE2 ILE A 1 -7.819 0.742 -8.357 1.00 -0.57 O HETATM 1313 OE1 ILE A 1 -9.637 0.447 -9.474 1.00 -0.57 O HETATM 1314 H69 ILE A 1 -7.520 2.847 -9.690 1.00 0.04 H HETATM 1315 H70 ILE A 1 -8.980 2.566 -10.698 1.00 0.04 H HETATM 1316 H67 ILE A 1 -10.444 3.279 -8.873 1.00 0.03 H HETATM 1317 H68 ILE A 1 -9.048 3.402 -7.749 1.00 0.03 H HETATM 1318 C ILE A 1 -10.240 5.856 -8.749 1.00 0.21 C HETATM 1319 O ILE A 1 -10.040 6.649 -7.830 1.00 -0.39 O HETATM 1320 N ILE A 1 -11.430 5.740 -9.312 1.00 -0.25 N HETATM 1321 CA ILE A 1 -12.610 6.559 -8.885 1.00 0.13 C HETATM 1322 C ILE A 1 -13.440 5.850 -7.815 1.00 0.20 C HETATM 1323 O ILE A 1 -14.660 5.732 -7.926 1.00 -0.39 O HETATM 1324 N ILE A 1 -12.770 5.364 -6.786 1.00 -0.26 N HETATM 1325 CA ILE A 1 -13.440 4.648 -5.707 1.00 0.13 C HETATM 1326 CB ILE A 1 -12.500 3.573 -5.097 1.00 -0.01 C HETATM 1327 CG ILE A 1 -11.090 3.729 -5.662 1.00 -0.04 C HETATM 1328 CD1 ILE A 1 -10.450 5.001 -5.088 1.00 -0.06 C HETATM 1329 H83 ILE A 1 -9.434 5.115 -5.494 1.00 0.02 H HETATM 1330 H84 ILE A 1 -10.400 4.924 -3.992 1.00 0.02 H HETATM 1331 H85 ILE A 1 -11.057 5.875 -5.367 1.00 0.02 H HETATM 1332 CD2 ILE A 1 -10.260 2.510 -5.277 1.00 -0.06 C HETATM 1333 H86 ILE A 1 -10.725 1.604 -5.692 1.00 0.02 H HETATM 1334 H87 ILE A 1 -10.214 2.429 -4.181 1.00 0.02 H HETATM 1335 H88 ILE A 1 -9.242 2.617 -5.680 1.00 0.02 H HETATM 1336 H82 ILE A 1 -11.139 3.807 -6.758 1.00 0.03 H HETATM 1337 H80 ILE A 1 -12.883 2.572 -5.345 1.00 0.03 H HETATM 1338 H81 ILE A 1 -12.470 3.694 -4.004 1.00 0.03 H HETATM 1339 C ILE A 1 -13.900 5.631 -4.629 1.00 0.21 C HETATM 1340 O ILE A 1 -13.330 6.716 -4.495 1.00 -0.39 O HETATM 1341 N ILE A 1 -14.890 5.259 -3.862 1.00 -0.25 N HETATM 1342 CA ILE A 1 -15.420 6.126 -2.770 1.00 0.14 C HETATM 1343 C ILE A 1 -14.330 6.962 -2.115 1.00 0.26 C HETATM 1344 O ILE A 1 -13.250 6.459 -1.815 1.00 -0.37 O HETATM 1345 O1 ILE A 1 -14.549 8.250 -1.865 1.00 -0.29 O HETATM 1346 H96 ILE A 1 -15.423 8.483 -2.153 1.00 0.25 H HETATM 1347 CB ILE A 1 -16.010 5.121 -1.770 1.00 -0.01 C HETATM 1348 CG ILE A 1 -16.370 3.911 -2.578 1.00 -0.03 C HETATM 1349 CD ILE A 1 -15.430 3.889 -3.788 1.00 0.04 C HETATM 1350 H94 ILE A 1 -14.620 3.160 -3.638 1.00 0.05 H HETATM 1351 H95 ILE A 1 -15.983 3.639 -4.705 1.00 0.05 H HETATM 1352 H92 ILE A 1 -16.234 3.000 -1.976 1.00 0.03 H HETATM 1353 H93 ILE A 1 -17.416 3.977 -2.912 1.00 0.03 H HETATM 1354 H90 ILE A 1 -16.905 5.540 -1.287 1.00 0.03 H HETATM 1355 H91 ILE A 1 -15.266 4.862 -1.002 1.00 0.03 H HETATM 1356 H89 ILE A 1 -16.202 6.796 -3.157 1.00 0.08 H HETATM 1357 H79 ILE A 1 -14.325 4.142 -6.120 1.00 0.08 H HETATM 1358 H78 ILE A 1 -11.779 5.490 -6.746 1.00 0.19 H HETATM 1359 CB ILE A 1 -13.410 6.741 -10.180 1.00 -0.01 C HETATM 1360 CG ILE A 1 -13.020 5.580 -11.040 1.00 -0.03 C HETATM 1361 CD ILE A 1 -11.570 5.294 -10.710 1.00 0.04 C HETATM 1362 H76 ILE A 1 -11.352 4.220 -10.802 1.00 0.05 H HETATM 1363 H77 ILE A 1 -10.899 5.862 -11.371 1.00 0.05 H HETATM 1364 H74 ILE A 1 -13.646 4.705 -10.810 1.00 0.03 H HETATM 1365 H75 ILE A 1 -13.127 5.838 -12.104 1.00 0.03 H HETATM 1366 H72 ILE A 1 -13.145 7.690 -10.668 1.00 0.03 H HETATM 1367 H73 ILE A 1 -14.490 6.724 -9.973 1.00 0.03 H HETATM 1368 H71 ILE A 1 -12.280 7.533 -8.494 1.00 0.08 H HETATM 1369 H66 ILE A 1 -9.123 4.968 -10.361 1.00 0.08 H HETATM 1370 H65 ILE A 1 -7.453 5.040 -7.934 1.00 0.19 H HETATM 1371 H61 ILE A 1 -5.884 6.734 -7.761 1.00 0.08 H HETATM 1372 H60 ILE A 1 -4.160 6.015 -10.020 1.00 0.19 H HETATM 1373 CB ILE A 1 -4.034 2.332 -9.487 1.00 -0.01 C HETATM 1374 CG ILE A 1 -3.855 1.500 -8.259 1.00 -0.03 C HETATM 1375 CD ILE A 1 -2.630 2.059 -7.542 1.00 0.04 C HETATM 1376 H58 ILE A 1 -2.788 2.067 -6.453 1.00 0.05 H HETATM 1377 H59 ILE A 1 -1.736 1.463 -7.779 1.00 0.05 H HETATM 1378 H56 ILE A 1 -4.743 1.576 -7.614 1.00 0.03 H HETATM 1379 H57 ILE A 1 -3.690 0.447 -8.532 1.00 0.03 H HETATM 1380 H54 ILE A 1 -3.464 1.907 -10.326 1.00 0.03 H HETATM 1381 H55 ILE A 1 -5.098 2.392 -9.760 1.00 0.03 H HETATM 1382 H53 ILE A 1 -3.014 4.193 -9.991 1.00 0.08 H HETATM 1383 H45 ILE A 1 -0.548 2.819 -6.547 1.00 0.08 H HETATM 1384 H44 ILE A 1 1.166 4.978 -6.099 1.00 0.19 H HETATM 1385 H39 ILE A 1 3.007 5.279 -7.138 1.00 0.08 H HETATM 1386 H38 ILE A 1 3.545 3.464 -9.462 1.00 0.19 H HETATM 1387 CB ILE A 1 4.918 1.017 -8.260 1.00 -0.01 C HETATM 1388 CG ILE A 1 5.489 0.407 -7.027 1.00 -0.03 C HETATM 1389 CD ILE A 1 6.908 0.937 -6.923 1.00 0.04 C HETATM 1390 H36 ILE A 1 7.218 1.025 -5.871 1.00 0.05 H HETATM 1391 H37 ILE A 1 7.611 0.283 -7.459 1.00 0.05 H HETATM 1392 H34 ILE A 1 4.903 0.705 -6.145 1.00 0.03 H HETATM 1393 H35 ILE A 1 5.495 -0.690 -7.109 1.00 0.03 H HETATM 1394 H32 ILE A 1 5.169 0.412 -9.143 1.00 0.03 H HETATM 1395 H33 ILE A 1 3.825 1.108 -8.177 1.00 0.03 H HETATM 1396 H31 ILE A 1 5.801 2.656 -9.398 1.00 0.08 H HETATM 1397 H21 ILE A 1 9.238 1.664 -6.741 1.00 0.08 H HETATM 1398 H20 ILE A 1 10.521 4.212 -7.610 1.00 0.19 H HETATM 1399 H15 ILE A 1 12.311 4.099 -8.800 1.00 0.08 H HETATM 1400 H14 ILE A 1 13.846 1.760 -7.727 1.00 0.19 H HETATM 1401 H4 ILE A 1 15.559 2.152 -6.520 1.00 0.11 H HETATM 1402 H1 ILE A 1 17.655 3.238 -6.836 1.00 0.20 H HETATM 1403 H2 ILE A 1 16.936 4.530 -7.559 1.00 0.20 H HETATM 1404 H3 ILE A 1 16.884 3.050 -8.278 1.00 0.20 H CONECT 1 2 14 15 16 CONECT 14 1 CONECT 15 1 CONECT 16 1 CONECT 1216 1217 1402 1403 1404 CONECT 1217 1216 1218 1231 1401 CONECT 1218 1217 1219 1223 1230 CONECT 1219 1218 1220 1221 1222 CONECT 1220 1219 CONECT 1221 1219 CONECT 1222 1219 CONECT 1223 1218 1224 1228 1229 CONECT 1224 1223 1225 1226 1227 CONECT 1225 1224 CONECT 1226 1224 CONECT 1227 1224 CONECT 1228 1223 CONECT 1229 1223 CONECT 1230 1218 CONECT 1231 1217 1232 1233 CONECT 1232 1231 CONECT 1233 1231 1234 1400 CONECT 1234 1233 1235 1244 1399 CONECT 1235 1234 1236 1242 1243 CONECT 1236 1235 1237 1240 1241 CONECT 1237 1236 1238 1239 CONECT 1238 1237 CONECT 1239 1237 CONECT 1240 1236 CONECT 1241 1236 CONECT 1242 1235 CONECT 1243 1235 CONECT 1244 1234 1245 1246 CONECT 1245 1244 CONECT 1246 1244 1247 1398 CONECT 1247 1246 1248 1261 1397 CONECT 1248 1247 1249 1259 1260 CONECT 1249 1248 1250 1254 1258 CONECT 1250 1249 1251 1252 1253 CONECT 1251 1250 CONECT 1252 1250 CONECT 1253 1250 CONECT 1254 1249 1255 1256 1257 CONECT 1255 1254 CONECT 1256 1254 CONECT 1257 1254 CONECT 1258 1249 CONECT 1259 1248 CONECT 1260 1248 CONECT 1261 1247 1262 1263 CONECT 1262 1261 CONECT 1263 1261 1264 1389 CONECT 1264 1263 1265 1387 1396 CONECT 1265 1264 1266 1267 CONECT 1266 1265 CONECT 1267 1265 1268 1386 CONECT 1268 1267 1269 1278 1385 CONECT 1269 1268 1270 1276 1277 CONECT 1270 1269 1271 1274 1275 CONECT 1271 1270 1272 1273 CONECT 1272 1271 CONECT 1273 1271 CONECT 1274 1270 CONECT 1275 1270 CONECT 1276 1269 CONECT 1277 1269 CONECT 1278 1268 1279 1280 CONECT 1279 1278 CONECT 1280 1278 1281 1384 CONECT 1281 1280 1282 1292 1383 CONECT 1282 1281 1283 1287 1291 CONECT 1283 1282 1284 1285 1286 CONECT 1284 1283 CONECT 1285 1283 CONECT 1286 1283 CONECT 1287 1282 1288 1289 1290 CONECT 1288 1287 CONECT 1289 1287 CONECT 1290 1287 CONECT 1291 1282 CONECT 1292 1281 1293 1294 CONECT 1293 1292 CONECT 1294 1292 1295 1375 CONECT 1295 1294 1296 1373 1382 CONECT 1296 1295 1297 1298 CONECT 1297 1296 CONECT 1298 1296 1299 1372 CONECT 1299 1298 1300 1305 1371 CONECT 1300 1299 1301 1303 1304 CONECT 1301 1300 1302 CONECT 1302 1301 CONECT 1303 1300 CONECT 1304 1300 CONECT 1305 1299 1306 1307 CONECT 1306 1305 CONECT 1307 1305 1308 1370 CONECT 1308 1307 1309 1318 1369 CONECT 1309 1308 1310 1316 1317 CONECT 1310 1309 1311 1314 1315 CONECT 1311 1310 1312 1313 CONECT 1312 1311 CONECT 1313 1311 CONECT 1314 1310 CONECT 1315 1310 CONECT 1316 1309 CONECT 1317 1309 CONECT 1318 1308 1319 1320 CONECT 1319 1318 CONECT 1320 1318 1321 1361 CONECT 1321 1320 1322 1359 1368 CONECT 1322 1321 1323 1324 CONECT 1323 1322 CONECT 1324 1322 1325 1358 CONECT 1325 1324 1326 1339 1357 CONECT 1326 1325 1327 1337 1338 CONECT 1327 1326 1328 1332 1336 CONECT 1328 1327 1329 1330 1331 CONECT 1329 1328 CONECT 1330 1328 CONECT 1331 1328 CONECT 1332 1327 1333 1334 1335 CONECT 1333 1332 CONECT 1334 1332 CONECT 1335 1332 CONECT 1336 1327 CONECT 1337 1326 CONECT 1338 1326 CONECT 1339 1325 1340 1341 CONECT 1340 1339 CONECT 1341 1339 1342 1349 CONECT 1342 1341 1343 1347 1356 CONECT 1343 1342 1344 1345 CONECT 1344 1343 CONECT 1345 1343 1346 CONECT 1346 1345 CONECT 1347 1342 1348 1354 1355 CONECT 1348 1347 1349 1352 1353 CONECT 1349 1341 1348 1350 1351 CONECT 1350 1349 CONECT 1351 1349 CONECT 1352 1348 CONECT 1353 1348 CONECT 1354 1347 CONECT 1355 1347 CONECT 1356 1342 CONECT 1357 1325 CONECT 1358 1324 CONECT 1359 1321 1360 1366 1367 CONECT 1360 1359 1361 1364 1365 CONECT 1361 1320 1360 1362 1363 CONECT 1362 1361 CONECT 1363 1361 CONECT 1364 1360 CONECT 1365 1360 CONECT 1366 1359 CONECT 1367 1359 CONECT 1368 1321 CONECT 1369 1308 CONECT 1370 1307 CONECT 1371 1299 CONECT 1372 1298 CONECT 1373 1295 1374 1380 1381 CONECT 1374 1373 1375 1378 1379 CONECT 1375 1294 1374 1376 1377 CONECT 1376 1375 CONECT 1377 1375 CONECT 1378 1374 CONECT 1379 1374 CONECT 1380 1373 CONECT 1381 1373 CONECT 1382 1295 CONECT 1383 1281 CONECT 1384 1280 CONECT 1385 1268 CONECT 1386 1267 CONECT 1387 1264 1388 1394 1395 CONECT 1388 1387 1389 1392 1393 CONECT 1389 1263 1388 1390 1391 CONECT 1390 1389 CONECT 1391 1389 CONECT 1392 1388 CONECT 1393 1388 CONECT 1394 1387 CONECT 1395 1387 CONECT 1396 1264 CONECT 1397 1247 CONECT 1398 1246 CONECT 1399 1234 CONECT 1400 1233 CONECT 1401 1217 CONECT 1402 1216 CONECT 1403 1216 CONECT 1404 1216 MASTER 0 0 0 0 0 0 0 0 1403 1 193 6 END
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Entry Information
PDB ID
2k3w
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Vacuolar protein sorting-associating protein 4A
Ligand Name
16-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=5.8uM
Release Year
2008
Protein/NA Sequence
Check fasta file
Primary Reference
(2008) Dev.Cell Vol. 15: pp. 62-73
Ligand Properties
Formula
C
6
1
H
9
9
N
1
2
O
2
0
Molecular Weight
1320.510
Exact Mass
1319.710
No. of atoms
192
No. of bonds
195
Polar Surface Area
482.01
LOGP Value
2.10 (
Computed with XLOGP3
)
-0.09 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 10
No. of Hydrogen Bond Acceptors: 20
No. of Rotatable Bonds: 46
No. of Nitrogen and Oxygen Atoms: 32
No. of Rings: 4
Canonical SMILES
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)CC(C)C)CCC(=O)O)CO)C(C)C)CCC(=O)O)CC(C)C)CCC(=O)O)[NH3+])C
InChI String
InChI=1S/C61H98N12O20/c1-9-34(8)48(62)56(87)64-35(18-21-45(75)76)50(81)66-38(28-31(2)3)58(89)71-25-11-14-41(71)53(84)63-36(19-22-46(77)78)51(82)69-49(33(6)7)60(91)72-26-12-16-43(72)55(86)68-40(30-74)52(83)65-37(20-23-47(79)80)57(88)70-24-10-15-42(70)54(85)67-39(29-32(4)5)59(90)73-27-13-17-44(73)61(92)93/h31-44,48-49,74H,9-30,62H2,1-8H3,(H,63,84)(H,64,87)(H,65,83)(H,66,81)(H,67,85)(H,68,86)(H,69,82)(H,75,76)(H,77,78)(H,79,80)(H,92,93)/p+1/t34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,48-,49-/m0/s1
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):
Q9UN37
Q96FZ7
Entrez Gene ID
NCBI Entrez Gene ID:
27183
79643
ASD
Information of known allosteric effects of PDB entries
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