Browse entries in the PDBbind-CN Database
HEADER 2OI3_COMPLEX COMPND 2OI3_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 86 GLY PRO LEU GLY SER PRO GLY PRO ASN SER HIS ASN SER SEQRES 2 A 86 ASN THR PRO GLY ILE ARG GLU ALA GLY SER GLU ASP ILE SEQRES 3 A 86 ILE VAL VAL ALA LEU TYR ASP TYR GLU ALA ILE HIS HIS SEQRES 4 A 86 GLU ASP LEU SER PHE GLN LYS GLY ASP GLN MET VAL VAL SEQRES 5 A 86 LEU GLU GLU SER GLY GLU TRP TRP LYS ALA ARG SER LEU SEQRES 6 A 86 ALA THR ARG LYS GLU GLY TYR ILE PRO SER ASN TYR VAL SEQRES 7 A 86 ALA ARG VAL ASP SER LEU GLU THR HET ACE A 87 204 ATOM 1 N GLY A 1 2.216 -9.913 0.446 1.00 0.00 N ATOM 2 CA GLY A 1 3.658 -9.955 0.105 1.00 0.00 C ATOM 3 C GLY A 1 4.006 -8.948 -0.990 1.00 0.00 C ATOM 4 O GLY A 1 3.434 -9.035 -2.082 1.00 0.00 O ATOM 5 HA3 GLY A 1 3.911 -10.957 -0.242 1.00 0.00 H ATOM 6 HA2 GLY A 1 4.240 -9.723 0.997 1.00 0.00 H ATOM 7 HN3 GLY A 1 1.654 -10.139 -0.400 1.00 0.00 H ATOM 8 HN2 GLY A 1 1.968 -8.961 0.784 1.00 0.00 H ATOM 9 HN1 GLY A 1 2.017 -10.609 1.192 1.00 0.00 H ATOM 10 N PRO A 2 4.916 -7.985 -0.735 1.00 0.00 N ATOM 11 CA PRO A 2 5.316 -6.965 -1.710 1.00 0.00 C ATOM 12 C PRO A 2 6.165 -7.523 -2.860 1.00 0.00 C ATOM 13 O PRO A 2 6.787 -8.588 -2.769 1.00 0.00 O ATOM 14 CB PRO A 2 6.081 -5.914 -0.897 1.00 0.00 C ATOM 15 CG PRO A 2 6.701 -6.729 0.235 1.00 0.00 C ATOM 16 CD PRO A 2 5.638 -7.790 0.519 1.00 0.00 C ATOM 17 HA PRO A 2 4.442 -6.546 -2.209 1.00 0.00 H ATOM 18 HD3 PRO A 2 6.108 -8.722 0.834 1.00 0.00 H ATOM 19 HD2 PRO A 2 4.958 -7.446 1.298 1.00 0.00 H ATOM 20 HG3 PRO A 2 6.879 -6.108 1.113 1.00 0.00 H ATOM 21 HG2 PRO A 2 7.638 -7.188 -0.080 1.00 0.00 H ATOM 22 HB2 PRO A 2 6.852 -5.436 -1.502 1.00 0.00 H ATOM 23 HB3 PRO A 2 5.405 -5.154 -0.506 1.00 0.00 H ATOM 24 N LEU A 3 6.179 -6.765 -3.958 1.00 0.00 N ATOM 25 CA LEU A 3 6.923 -7.060 -5.183 1.00 0.00 C ATOM 26 C LEU A 3 8.450 -6.908 -5.008 1.00 0.00 C ATOM 27 O LEU A 3 8.930 -6.222 -4.099 1.00 0.00 O ATOM 28 CB LEU A 3 6.411 -6.114 -6.286 1.00 0.00 C ATOM 29 CG LEU A 3 4.936 -6.295 -6.698 1.00 0.00 C ATOM 30 CD1 LEU A 3 4.564 -5.235 -7.736 1.00 0.00 C ATOM 31 CD2 LEU A 3 4.664 -7.672 -7.307 1.00 0.00 C ATOM 32 HA LEU A 3 6.754 -8.103 -5.451 1.00 0.00 H ATOM 33 HB2 LEU A 3 6.536 -5.090 -5.933 1.00 0.00 H ATOM 34 HB3 LEU A 3 7.027 -6.269 -7.172 1.00 0.00 H ATOM 35 HG LEU A 3 4.337 -6.195 -5.793 1.00 0.00 H ATOM 36 HD21 LEU A 3 5.281 -7.803 -8.196 1.00 0.00 H ATOM 37 HD22 LEU A 3 4.907 -8.445 -6.578 1.00 0.00 H ATOM 38 HD23 LEU A 3 3.611 -7.746 -7.579 1.00 0.00 H ATOM 39 HD11 LEU A 3 4.703 -4.243 -7.306 1.00 0.00 H ATOM 40 HD12 LEU A 3 5.203 -5.346 -8.612 1.00 0.00 H ATOM 41 HD13 LEU A 3 3.521 -5.363 -8.027 1.00 0.00 H ATOM 42 H LEU A 3 5.614 -5.892 -3.942 1.00 0.00 H ATOM 43 N GLY A 4 9.214 -7.507 -5.926 1.00 0.00 N ATOM 44 CA GLY A 4 10.675 -7.378 -6.011 1.00 0.00 C ATOM 45 C GLY A 4 11.281 -8.080 -7.235 1.00 0.00 C ATOM 46 O GLY A 4 10.636 -8.916 -7.877 1.00 0.00 O ATOM 47 HA3 GLY A 4 11.113 -7.812 -5.112 1.00 0.00 H ATOM 48 HA2 GLY A 4 10.926 -6.318 -6.061 1.00 0.00 H ATOM 49 H GLY A 4 8.741 -8.108 -6.631 1.00 0.00 H ATOM 50 N SER A 5 12.526 -7.731 -7.565 1.00 0.00 N ATOM 51 CA SER A 5 13.305 -8.319 -8.669 1.00 0.00 C ATOM 52 C SER A 5 13.913 -9.697 -8.317 1.00 0.00 C ATOM 53 O SER A 5 14.024 -10.037 -7.129 1.00 0.00 O ATOM 54 CB SER A 5 14.417 -7.337 -9.079 1.00 0.00 C ATOM 55 OG SER A 5 15.211 -6.949 -7.967 1.00 0.00 O ATOM 56 HA SER A 5 12.619 -8.490 -9.499 1.00 0.00 H ATOM 57 HB2 SER A 5 13.961 -6.448 -9.515 1.00 0.00 H ATOM 58 HB3 SER A 5 15.057 -7.816 -9.820 1.00 0.00 H ATOM 59 HG SER A 5 15.913 -6.319 -8.268 1.00 0.00 H ATOM 60 H SER A 5 12.982 -6.987 -6.999 1.00 0.00 H ATOM 61 N PRO A 6 14.328 -10.507 -9.319 1.00 0.00 N ATOM 62 CA PRO A 6 15.126 -11.723 -9.114 1.00 0.00 C ATOM 63 C PRO A 6 16.404 -11.507 -8.279 1.00 0.00 C ATOM 64 O PRO A 6 16.966 -10.407 -8.239 1.00 0.00 O ATOM 65 CB PRO A 6 15.472 -12.232 -10.519 1.00 0.00 C ATOM 66 CG PRO A 6 14.342 -11.685 -11.386 1.00 0.00 C ATOM 67 CD PRO A 6 14.043 -10.335 -10.738 1.00 0.00 C ATOM 68 HA PRO A 6 14.548 -12.442 -8.533 1.00 0.00 H ATOM 69 HD3 PRO A 6 14.681 -9.560 -11.163 1.00 0.00 H ATOM 70 HD2 PRO A 6 12.997 -10.065 -10.886 1.00 0.00 H ATOM 71 HG3 PRO A 6 13.470 -12.338 -11.354 1.00 0.00 H ATOM 72 HG2 PRO A 6 14.664 -11.562 -12.420 1.00 0.00 H ATOM 73 HB2 PRO A 6 16.437 -11.845 -10.847 1.00 0.00 H ATOM 74 HB3 PRO A 6 15.491 -13.322 -10.545 1.00 0.00 H ATOM 75 N GLY A 7 16.896 -12.578 -7.647 1.00 0.00 N ATOM 76 CA GLY A 7 18.043 -12.531 -6.730 1.00 0.00 C ATOM 77 C GLY A 7 18.612 -13.906 -6.389 1.00 0.00 C ATOM 78 O GLY A 7 18.155 -14.522 -5.419 1.00 0.00 O ATOM 79 HA3 GLY A 7 17.725 -12.051 -5.805 1.00 0.00 H ATOM 80 HA2 GLY A 7 18.831 -11.937 -7.194 1.00 0.00 H ATOM 81 H GLY A 7 16.440 -13.498 -7.814 1.00 0.00 H ATOM 82 N PRO A 8 19.576 -14.413 -7.175 1.00 0.00 N ATOM 83 CA PRO A 8 20.184 -15.715 -6.937 1.00 0.00 C ATOM 84 C PRO A 8 21.099 -15.740 -5.696 1.00 0.00 C ATOM 85 O PRO A 8 21.496 -14.703 -5.158 1.00 0.00 O ATOM 86 CB PRO A 8 20.939 -16.041 -8.233 1.00 0.00 C ATOM 87 CG PRO A 8 21.307 -14.664 -8.787 1.00 0.00 C ATOM 88 CD PRO A 8 20.131 -13.785 -8.362 1.00 0.00 C ATOM 89 HA PRO A 8 19.429 -16.467 -6.708 1.00 0.00 H ATOM 90 HD3 PRO A 8 20.474 -12.776 -8.133 1.00 0.00 H ATOM 91 HD2 PRO A 8 19.383 -13.742 -9.154 1.00 0.00 H ATOM 92 HG3 PRO A 8 21.401 -14.692 -9.873 1.00 0.00 H ATOM 93 HG2 PRO A 8 22.240 -14.305 -8.352 1.00 0.00 H ATOM 94 HB2 PRO A 8 21.833 -16.630 -8.026 1.00 0.00 H ATOM 95 HB3 PRO A 8 20.301 -16.584 -8.930 1.00 0.00 H ATOM 96 N ASN A 9 21.451 -16.949 -5.246 1.00 0.00 N ATOM 97 CA ASN A 9 22.248 -17.200 -4.033 1.00 0.00 C ATOM 98 C ASN A 9 23.758 -16.867 -4.150 1.00 0.00 C ATOM 99 O ASN A 9 24.492 -17.016 -3.169 1.00 0.00 O ATOM 100 CB ASN A 9 22.022 -18.658 -3.580 1.00 0.00 C ATOM 101 CG ASN A 9 22.725 -19.699 -4.444 1.00 0.00 C ATOM 102 OD1 ASN A 9 22.668 -19.680 -5.667 1.00 0.00 O ATOM 103 ND2 ASN A 9 23.407 -20.649 -3.843 1.00 0.00 N ATOM 104 HA ASN A 9 21.890 -16.501 -3.277 1.00 0.00 H ATOM 105 HB2 ASN A 9 22.387 -18.759 -2.558 1.00 0.00 H ATOM 106 HB3 ASN A 9 20.951 -18.861 -3.603 1.00 0.00 H ATOM 107 HD22 ASN A 9 23.461 -20.673 -2.805 1.00 0.00 H ATOM 108 HD21 ASN A 9 23.892 -21.376 -4.406 1.00 0.00 H ATOM 109 H ASN A 9 21.138 -17.775 -5.794 1.00 0.00 H ATOM 110 N SER A 10 24.233 -16.430 -5.320 1.00 0.00 N ATOM 111 CA SER A 10 25.635 -16.066 -5.594 1.00 0.00 C ATOM 112 C SER A 10 25.757 -14.952 -6.649 1.00 0.00 C ATOM 113 O SER A 10 24.790 -14.628 -7.347 1.00 0.00 O ATOM 114 CB SER A 10 26.421 -17.313 -6.036 1.00 0.00 C ATOM 115 OG SER A 10 25.910 -17.849 -7.249 1.00 0.00 O ATOM 116 HA SER A 10 26.059 -15.674 -4.670 1.00 0.00 H ATOM 117 HB2 SER A 10 26.350 -18.071 -5.256 1.00 0.00 H ATOM 118 HB3 SER A 10 27.466 -17.040 -6.182 1.00 0.00 H ATOM 119 HG SER A 10 26.437 -18.648 -7.503 1.00 0.00 H ATOM 120 H SER A 10 23.556 -16.339 -6.104 1.00 0.00 H ATOM 121 N HIS A 11 26.951 -14.358 -6.769 1.00 0.00 N ATOM 122 CA HIS A 11 27.257 -13.283 -7.723 1.00 0.00 C ATOM 123 C HIS A 11 28.721 -13.334 -8.196 1.00 0.00 C ATOM 124 O HIS A 11 29.623 -13.723 -7.448 1.00 0.00 O ATOM 125 CB HIS A 11 26.938 -11.930 -7.061 1.00 0.00 C ATOM 126 CG HIS A 11 27.147 -10.741 -7.967 1.00 0.00 C ATOM 127 ND1 HIS A 11 28.246 -9.908 -7.985 1.00 0.00 N ATOM 128 CD2 HIS A 11 26.289 -10.295 -8.937 1.00 0.00 C ATOM 129 CE1 HIS A 11 28.057 -8.984 -8.943 1.00 0.00 C ATOM 130 NE2 HIS A 11 26.872 -9.178 -9.553 1.00 0.00 N ATOM 131 HA HIS A 11 26.640 -13.414 -8.612 1.00 0.00 H ATOM 132 HB2 HIS A 11 25.895 -11.941 -6.743 1.00 0.00 H ATOM 133 HB3 HIS A 11 27.581 -11.814 -6.189 1.00 0.00 H ATOM 134 HD2 HIS A 11 25.322 -10.732 -9.187 1.00 0.00 H ATOM 135 HE1 HIS A 11 28.762 -8.191 -9.191 1.00 0.00 H ATOM 136 H HIS A 11 27.716 -14.680 -6.143 1.00 0.00 H ATOM 137 N ASN A 12 28.944 -12.928 -9.449 1.00 0.00 N ATOM 138 CA ASN A 12 30.238 -12.914 -10.135 1.00 0.00 C ATOM 139 C ASN A 12 30.242 -11.892 -11.293 1.00 0.00 C ATOM 140 O ASN A 12 29.184 -11.464 -11.762 1.00 0.00 O ATOM 141 CB ASN A 12 30.544 -14.341 -10.643 1.00 0.00 C ATOM 142 CG ASN A 12 29.623 -14.812 -11.764 1.00 0.00 C ATOM 143 OD1 ASN A 12 28.439 -15.058 -11.578 1.00 0.00 O ATOM 144 ND2 ASN A 12 30.134 -14.965 -12.967 1.00 0.00 N ATOM 145 HA ASN A 12 31.017 -12.604 -9.439 1.00 0.00 H ATOM 146 HB2 ASN A 12 31.570 -14.361 -11.011 1.00 0.00 H ATOM 147 HB3 ASN A 12 30.446 -15.032 -9.805 1.00 0.00 H ATOM 148 HD22 ASN A 12 31.139 -14.758 -13.135 1.00 0.00 H ATOM 149 HD21 ASN A 12 29.533 -15.292 -13.750 1.00 0.00 H ATOM 150 H ASN A 12 28.121 -12.590 -9.988 1.00 0.00 H ATOM 151 N SER A 13 31.426 -11.502 -11.776 1.00 0.00 N ATOM 152 CA SER A 13 31.611 -10.631 -12.957 1.00 0.00 C ATOM 153 C SER A 13 33.023 -10.750 -13.552 1.00 0.00 C ATOM 154 O SER A 13 33.987 -11.058 -12.845 1.00 0.00 O ATOM 155 CB SER A 13 31.364 -9.160 -12.579 1.00 0.00 C ATOM 156 OG SER A 13 29.982 -8.927 -12.360 1.00 0.00 O ATOM 157 HA SER A 13 30.890 -10.961 -13.705 1.00 0.00 H ATOM 158 HB2 SER A 13 31.712 -8.518 -13.388 1.00 0.00 H ATOM 159 HB3 SER A 13 31.916 -8.926 -11.669 1.00 0.00 H ATOM 160 HG SER A 13 29.664 -9.506 -11.623 1.00 0.00 H ATOM 161 H SER A 13 32.280 -11.836 -11.285 1.00 0.00 H ATOM 162 N ASN A 14 33.144 -10.473 -14.854 1.00 0.00 N ATOM 163 CA ASN A 14 34.395 -10.400 -15.620 1.00 0.00 C ATOM 164 C ASN A 14 34.184 -9.503 -16.863 1.00 0.00 C ATOM 165 O ASN A 14 33.045 -9.153 -17.192 1.00 0.00 O ATOM 166 CB ASN A 14 34.816 -11.837 -16.007 1.00 0.00 C ATOM 167 CG ASN A 14 36.228 -11.938 -16.570 1.00 0.00 C ATOM 168 OD1 ASN A 14 37.087 -11.098 -16.337 1.00 0.00 O ATOM 169 ND2 ASN A 14 36.517 -12.969 -17.332 1.00 0.00 N ATOM 170 HA ASN A 14 35.194 -9.955 -15.027 1.00 0.00 H ATOM 171 HB2 ASN A 14 34.756 -12.464 -15.117 1.00 0.00 H ATOM 172 HB3 ASN A 14 34.119 -12.208 -16.759 1.00 0.00 H ATOM 173 HD22 ASN A 14 35.791 -13.686 -17.534 1.00 0.00 H ATOM 174 HD21 ASN A 14 37.471 -13.068 -17.733 1.00 0.00 H ATOM 175 H ASN A 14 32.264 -10.291 -15.377 1.00 0.00 H ATOM 176 N THR A 15 35.252 -9.132 -17.573 1.00 0.00 N ATOM 177 CA THR A 15 35.160 -8.388 -18.841 1.00 0.00 C ATOM 178 C THR A 15 34.427 -9.184 -19.943 1.00 0.00 C ATOM 179 O THR A 15 34.527 -10.418 -19.987 1.00 0.00 O ATOM 180 CB THR A 15 36.545 -7.968 -19.370 1.00 0.00 C ATOM 181 OG1 THR A 15 37.474 -9.032 -19.305 1.00 0.00 O ATOM 182 CG2 THR A 15 37.125 -6.803 -18.568 1.00 0.00 C ATOM 183 HA THR A 15 34.579 -7.496 -18.607 1.00 0.00 H ATOM 184 HB THR A 15 36.389 -7.670 -20.407 1.00 0.00 H ATOM 185 HG1 THR A 15 38.349 -8.726 -19.652 1.00 0.00 H ATOM 186 HG23 THR A 15 36.432 -5.963 -18.597 1.00 0.00 H ATOM 187 HG21 THR A 15 37.277 -7.115 -17.535 1.00 0.00 H ATOM 188 HG22 THR A 15 38.079 -6.504 -19.002 1.00 0.00 H ATOM 189 H THR A 15 36.196 -9.381 -17.213 1.00 0.00 H ATOM 190 N PRO A 16 33.696 -8.500 -20.848 1.00 0.00 N ATOM 191 CA PRO A 16 33.064 -9.110 -22.018 1.00 0.00 C ATOM 192 C PRO A 16 34.072 -9.434 -23.130 1.00 0.00 C ATOM 193 O PRO A 16 35.289 -9.331 -22.956 1.00 0.00 O ATOM 194 CB PRO A 16 32.001 -8.103 -22.466 1.00 0.00 C ATOM 195 CG PRO A 16 32.542 -6.750 -22.015 1.00 0.00 C ATOM 196 CD PRO A 16 33.414 -7.073 -20.803 1.00 0.00 C ATOM 197 HA PRO A 16 32.623 -10.077 -21.775 1.00 0.00 H ATOM 198 HD3 PRO A 16 34.344 -6.506 -20.849 1.00 0.00 H ATOM 199 HD2 PRO A 16 32.884 -6.825 -19.884 1.00 0.00 H ATOM 200 HG3 PRO A 16 31.727 -6.082 -21.737 1.00 0.00 H ATOM 201 HG2 PRO A 16 33.135 -6.289 -22.805 1.00 0.00 H ATOM 202 HB2 PRO A 16 31.879 -8.128 -23.549 1.00 0.00 H ATOM 203 HB3 PRO A 16 31.044 -8.314 -21.988 1.00 0.00 H ATOM 204 N GLY A 17 33.550 -9.816 -24.299 1.00 0.00 N ATOM 205 CA GLY A 17 34.302 -10.292 -25.462 1.00 0.00 C ATOM 206 C GLY A 17 35.080 -9.221 -26.249 1.00 0.00 C ATOM 207 O GLY A 17 35.068 -9.234 -27.482 1.00 0.00 O ATOM 208 HA3 GLY A 17 33.596 -10.761 -26.147 1.00 0.00 H ATOM 209 HA2 GLY A 17 35.018 -11.036 -25.114 1.00 0.00 H ATOM 210 H GLY A 17 32.515 -9.771 -24.392 1.00 0.00 H ATOM 211 N ILE A 18 35.720 -8.273 -25.554 1.00 0.00 N ATOM 212 CA ILE A 18 36.551 -7.197 -26.121 1.00 0.00 C ATOM 213 C ILE A 18 37.683 -7.778 -26.991 1.00 0.00 C ATOM 214 O ILE A 18 38.404 -8.687 -26.564 1.00 0.00 O ATOM 215 CB ILE A 18 37.119 -6.314 -24.982 1.00 0.00 C ATOM 216 CG1 ILE A 18 36.027 -5.725 -24.053 1.00 0.00 C ATOM 217 CG2 ILE A 18 37.997 -5.179 -25.539 1.00 0.00 C ATOM 218 CD1 ILE A 18 34.943 -4.887 -24.747 1.00 0.00 C ATOM 219 HA ILE A 18 35.929 -6.575 -26.765 1.00 0.00 H ATOM 220 HB ILE A 18 37.730 -6.982 -24.375 1.00 0.00 H ATOM 221 HG12 ILE A 18 35.535 -6.555 -23.546 1.00 0.00 H ATOM 222 HG13 ILE A 18 36.520 -5.091 -23.316 1.00 0.00 H ATOM 223 HD11 ILE A 18 35.408 -4.039 -25.250 1.00 0.00 H ATOM 224 HD12 ILE A 18 34.422 -5.504 -25.479 1.00 0.00 H ATOM 225 HD13 ILE A 18 34.233 -4.526 -24.003 1.00 0.00 H ATOM 226 HG21 ILE A 18 38.831 -5.606 -26.096 1.00 0.00 H ATOM 227 HG22 ILE A 18 37.400 -4.551 -26.201 1.00 0.00 H ATOM 228 HG23 ILE A 18 38.379 -4.579 -24.713 1.00 0.00 H ATOM 229 H ILE A 18 35.622 -8.298 -24.519 1.00 0.00 H ATOM 230 N ARG A 19 37.828 -7.260 -28.219 1.00 0.00 N ATOM 231 CA ARG A 19 38.798 -7.741 -29.218 1.00 0.00 C ATOM 232 C ARG A 19 40.246 -7.307 -28.958 1.00 0.00 C ATOM 233 O ARG A 19 40.553 -6.528 -28.053 1.00 0.00 O ATOM 234 CB ARG A 19 38.363 -7.285 -30.622 1.00 0.00 C ATOM 235 CG ARG A 19 36.933 -7.660 -31.016 1.00 0.00 C ATOM 236 CD ARG A 19 36.564 -9.133 -30.788 1.00 0.00 C ATOM 237 NE ARG A 19 35.188 -9.413 -31.247 1.00 0.00 N ATOM 238 CZ ARG A 19 34.469 -10.491 -30.983 1.00 0.00 C ATOM 239 NH1 ARG A 19 34.935 -11.481 -30.274 1.00 0.00 N ATOM 240 NH2 ARG A 19 33.253 -10.598 -31.439 1.00 0.00 N ATOM 241 HA ARG A 19 38.794 -8.828 -29.140 1.00 0.00 H ATOM 242 HB2 ARG A 19 38.451 -6.200 -30.667 1.00 0.00 H ATOM 243 HB3 ARG A 19 39.041 -7.734 -31.348 1.00 0.00 H ATOM 244 HG2 ARG A 19 36.248 -7.045 -30.432 1.00 0.00 H ATOM 245 HG3 ARG A 19 36.804 -7.439 -32.076 1.00 0.00 H ATOM 246 HD2 ARG A 19 36.638 -9.358 -29.724 1.00 0.00 H ATOM 247 HD3 ARG A 19 37.260 -9.764 -31.341 1.00 0.00 H ATOM 248 HE ARG A 19 34.738 -8.687 -31.840 1.00 0.00 H ATOM 249 HH12 ARG A 19 34.339 -12.313 -30.087 1.00 0.00 H ATOM 250 HH11 ARG A 19 35.903 -11.439 -29.895 1.00 0.00 H ATOM 251 HH22 ARG A 19 32.692 -11.448 -31.229 1.00 0.00 H ATOM 252 HH21 ARG A 19 32.844 -9.834 -32.013 1.00 0.00 H ATOM 253 H ARG A 19 37.214 -6.464 -28.485 1.00 0.00 H ATOM 254 N GLU A 20 41.122 -7.820 -29.815 1.00 0.00 N ATOM 255 CA GLU A 20 42.581 -7.659 -29.810 1.00 0.00 C ATOM 256 C GLU A 20 43.153 -7.658 -31.248 1.00 0.00 C ATOM 257 O GLU A 20 42.458 -8.021 -32.204 1.00 0.00 O ATOM 258 CB GLU A 20 43.203 -8.827 -29.020 1.00 0.00 C ATOM 259 CG GLU A 20 42.951 -8.767 -27.507 1.00 0.00 C ATOM 260 CD GLU A 20 43.757 -9.854 -26.772 1.00 0.00 C ATOM 261 OE1 GLU A 20 43.267 -11.003 -26.644 1.00 0.00 O ATOM 262 OE2 GLU A 20 44.890 -9.567 -26.310 1.00 0.00 O ATOM 263 HA GLU A 20 42.824 -6.703 -29.347 1.00 0.00 H ATOM 264 HB2 GLU A 20 42.784 -9.759 -29.400 1.00 0.00 H ATOM 265 HB3 GLU A 20 44.280 -8.819 -29.188 1.00 0.00 H ATOM 266 HG2 GLU A 20 43.249 -7.787 -27.134 1.00 0.00 H ATOM 267 HG3 GLU A 20 41.889 -8.919 -27.316 1.00 0.00 H ATOM 268 H GLU A 20 40.728 -8.404 -30.579 1.00 0.00 H ATOM 269 N ALA A 21 44.443 -7.314 -31.387 1.00 0.00 N ATOM 270 CA ALA A 21 45.226 -7.344 -32.634 1.00 0.00 C ATOM 271 C ALA A 21 44.659 -6.488 -33.800 1.00 0.00 C ATOM 272 O ALA A 21 43.814 -5.607 -33.606 1.00 0.00 O ATOM 273 CB ALA A 21 45.508 -8.817 -32.991 1.00 0.00 C ATOM 274 HA ALA A 21 46.173 -6.834 -32.454 1.00 0.00 H ATOM 275 HB1 ALA A 21 46.071 -9.284 -32.183 1.00 0.00 H ATOM 276 HB2 ALA A 21 44.564 -9.343 -33.128 1.00 0.00 H ATOM 277 HB3 ALA A 21 46.088 -8.861 -33.913 1.00 0.00 H ATOM 278 H ALA A 21 44.938 -6.995 -30.530 1.00 0.00 H ATOM 279 N GLY A 22 45.197 -6.692 -35.011 1.00 0.00 N ATOM 280 CA GLY A 22 44.884 -5.893 -36.212 1.00 0.00 C ATOM 281 C GLY A 22 45.743 -6.182 -37.452 1.00 0.00 C ATOM 282 O GLY A 22 45.330 -5.901 -38.577 1.00 0.00 O ATOM 283 HA3 GLY A 22 45.010 -4.841 -35.956 1.00 0.00 H ATOM 284 HA2 GLY A 22 43.843 -6.079 -36.476 1.00 0.00 H ATOM 285 H GLY A 22 45.883 -7.467 -35.111 1.00 0.00 H ATOM 286 N SER A 23 46.927 -6.766 -37.246 1.00 0.00 N ATOM 287 CA SER A 23 47.964 -7.063 -38.257 1.00 0.00 C ATOM 288 C SER A 23 47.504 -7.773 -39.539 1.00 0.00 C ATOM 289 O SER A 23 48.099 -7.587 -40.602 1.00 0.00 O ATOM 290 CB SER A 23 49.043 -7.929 -37.613 1.00 0.00 C ATOM 291 OG SER A 23 49.657 -7.252 -36.526 1.00 0.00 O ATOM 292 HA SER A 23 48.312 -6.081 -38.578 1.00 0.00 H ATOM 293 HB2 SER A 23 49.801 -8.168 -38.359 1.00 0.00 H ATOM 294 HB3 SER A 23 48.590 -8.851 -37.249 1.00 0.00 H ATOM 295 HG SER A 23 50.351 -7.834 -36.126 1.00 0.00 H ATOM 296 H SER A 23 47.143 -7.042 -36.267 1.00 0.00 H ATOM 297 N GLU A 24 46.463 -8.600 -39.439 1.00 0.00 N ATOM 298 CA GLU A 24 45.999 -9.527 -40.490 1.00 0.00 C ATOM 299 C GLU A 24 44.466 -9.565 -40.631 1.00 0.00 C ATOM 300 O GLU A 24 43.848 -10.555 -41.029 1.00 0.00 O ATOM 301 CB GLU A 24 46.652 -10.890 -40.262 1.00 0.00 C ATOM 302 CG GLU A 24 46.338 -11.507 -38.896 1.00 0.00 C ATOM 303 CD GLU A 24 47.013 -12.882 -38.743 1.00 0.00 C ATOM 304 OE1 GLU A 24 48.174 -12.945 -38.267 1.00 0.00 O ATOM 305 OE2 GLU A 24 46.391 -13.916 -39.093 1.00 0.00 O ATOM 306 HA GLU A 24 46.321 -9.161 -41.465 1.00 0.00 H ATOM 307 HB2 GLU A 24 46.302 -11.573 -41.036 1.00 0.00 H ATOM 308 HB3 GLU A 24 47.732 -10.772 -40.345 1.00 0.00 H ATOM 309 HG2 GLU A 24 46.701 -10.842 -38.112 1.00 0.00 H ATOM 310 HG3 GLU A 24 45.259 -11.626 -38.798 1.00 0.00 H ATOM 311 H GLU A 24 45.933 -8.591 -38.544 1.00 0.00 H ATOM 312 N ASP A 25 43.874 -8.420 -40.316 1.00 0.00 N ATOM 313 CA ASP A 25 42.452 -8.085 -40.350 1.00 0.00 C ATOM 314 C ASP A 25 42.331 -6.629 -40.814 1.00 0.00 C ATOM 315 O ASP A 25 42.377 -5.689 -40.019 1.00 0.00 O ATOM 316 CB ASP A 25 41.810 -8.260 -38.970 1.00 0.00 C ATOM 317 CG ASP A 25 41.659 -9.732 -38.557 1.00 0.00 C ATOM 318 OD1 ASP A 25 40.760 -10.421 -39.100 1.00 0.00 O ATOM 319 OD2 ASP A 25 42.396 -10.190 -37.650 1.00 0.00 O ATOM 320 HA ASP A 25 41.929 -8.753 -41.034 1.00 0.00 H ATOM 321 HB2 ASP A 25 42.432 -7.754 -38.231 1.00 0.00 H ATOM 322 HB3 ASP A 25 40.822 -7.801 -38.986 1.00 0.00 H ATOM 323 H ASP A 25 44.508 -7.658 -40.002 1.00 0.00 H ATOM 324 N ILE A 26 42.261 -6.442 -42.133 1.00 0.00 N ATOM 325 CA ILE A 26 42.235 -5.125 -42.784 1.00 0.00 C ATOM 326 C ILE A 26 40.882 -4.456 -42.529 1.00 0.00 C ATOM 327 O ILE A 26 39.955 -4.549 -43.328 1.00 0.00 O ATOM 328 CB ILE A 26 42.615 -5.241 -44.279 1.00 0.00 C ATOM 329 CG1 ILE A 26 44.039 -5.815 -44.463 1.00 0.00 C ATOM 330 CG2 ILE A 26 42.458 -3.890 -45.031 1.00 0.00 C ATOM 331 CD1 ILE A 26 45.151 -4.777 -44.332 1.00 0.00 C ATOM 332 HA ILE A 26 42.992 -4.473 -42.349 1.00 0.00 H ATOM 333 HB ILE A 26 41.911 -5.944 -44.725 1.00 0.00 H ATOM 334 HG12 ILE A 26 44.198 -6.585 -43.708 1.00 0.00 H ATOM 335 HG13 ILE A 26 44.103 -6.262 -45.455 1.00 0.00 H ATOM 336 HD11 ILE A 26 45.016 -4.004 -45.088 1.00 0.00 H ATOM 337 HD12 ILE A 26 45.111 -4.327 -43.340 1.00 0.00 H ATOM 338 HD13 ILE A 26 46.117 -5.261 -44.474 1.00 0.00 H ATOM 339 HG21 ILE A 26 41.421 -3.560 -44.969 1.00 0.00 H ATOM 340 HG22 ILE A 26 43.107 -3.143 -44.573 1.00 0.00 H ATOM 341 HG23 ILE A 26 42.737 -4.023 -46.076 1.00 0.00 H ATOM 342 H ILE A 26 42.222 -7.285 -42.741 1.00 0.00 H ATOM 343 N ILE A 27 40.754 -3.795 -41.380 1.00 0.00 N ATOM 344 CA ILE A 27 39.631 -2.903 -41.093 1.00 0.00 C ATOM 345 C ILE A 27 39.782 -1.693 -41.984 1.00 0.00 C ATOM 346 O ILE A 27 40.648 -0.843 -41.799 1.00 0.00 O ATOM 347 CB ILE A 27 39.534 -2.460 -39.617 1.00 0.00 C ATOM 348 CG1 ILE A 27 39.721 -3.620 -38.633 1.00 0.00 C ATOM 349 CG2 ILE A 27 38.193 -1.735 -39.396 1.00 0.00 C ATOM 350 CD1 ILE A 27 38.656 -4.711 -38.709 1.00 0.00 C ATOM 351 HA ILE A 27 38.709 -3.451 -41.287 1.00 0.00 H ATOM 352 HB ILE A 27 40.356 -1.773 -39.413 1.00 0.00 H ATOM 353 HG12 ILE A 27 40.690 -4.079 -38.831 1.00 0.00 H ATOM 354 HG13 ILE A 27 39.714 -3.211 -37.623 1.00 0.00 H ATOM 355 HD11 ILE A 27 37.678 -4.278 -38.499 1.00 0.00 H ATOM 356 HD12 ILE A 27 38.654 -5.146 -39.708 1.00 0.00 H ATOM 357 HD13 ILE A 27 38.878 -5.485 -37.974 1.00 0.00 H ATOM 358 HG21 ILE A 27 38.142 -0.861 -40.046 1.00 0.00 H ATOM 359 HG22 ILE A 27 37.372 -2.412 -39.631 1.00 0.00 H ATOM 360 HG23 ILE A 27 38.119 -1.420 -38.355 1.00 0.00 H ATOM 361 H ILE A 27 41.487 -3.919 -40.653 1.00 0.00 H ATOM 362 N VAL A 28 38.903 -1.630 -42.958 1.00 0.00 N ATOM 363 CA VAL A 28 38.600 -0.450 -43.743 1.00 0.00 C ATOM 364 C VAL A 28 37.325 0.164 -43.200 1.00 0.00 C ATOM 365 O VAL A 28 36.599 -0.442 -42.422 1.00 0.00 O ATOM 366 CB VAL A 28 38.472 -0.895 -45.205 1.00 0.00 C ATOM 367 CG1 VAL A 28 37.180 -0.714 -45.967 1.00 0.00 C ATOM 368 CG2 VAL A 28 39.703 -0.658 -46.051 1.00 0.00 C ATOM 369 HA VAL A 28 39.378 0.311 -43.685 1.00 0.00 H ATOM 370 HB VAL A 28 38.392 -1.962 -44.997 1.00 0.00 H ATOM 371 HG11 VAL A 28 36.384 -1.264 -45.465 1.00 0.00 H ATOM 372 HG12 VAL A 28 36.926 0.345 -46.002 1.00 0.00 H ATOM 373 HG13 VAL A 28 37.302 -1.094 -46.981 1.00 0.00 H ATOM 374 HG21 VAL A 28 39.933 0.407 -46.065 1.00 0.00 H ATOM 375 HG22 VAL A 28 40.544 -1.207 -45.628 1.00 0.00 H ATOM 376 HG23 VAL A 28 39.516 -1.005 -47.067 1.00 0.00 H ATOM 377 H VAL A 28 38.380 -2.500 -43.185 1.00 0.00 H ATOM 378 N VAL A 29 37.045 1.347 -43.699 1.00 0.00 N ATOM 379 CA VAL A 29 35.781 2.086 -43.602 1.00 0.00 C ATOM 380 C VAL A 29 35.352 2.520 -45.001 1.00 0.00 C ATOM 381 O VAL A 29 36.192 2.865 -45.833 1.00 0.00 O ATOM 382 CB VAL A 29 35.943 3.294 -42.665 1.00 0.00 C ATOM 383 CG1 VAL A 29 36.656 4.478 -43.304 1.00 0.00 C ATOM 384 CG2 VAL A 29 34.589 3.800 -42.168 1.00 0.00 C ATOM 385 HA VAL A 29 35.006 1.446 -43.180 1.00 0.00 H ATOM 386 HB VAL A 29 36.553 2.917 -41.844 1.00 0.00 H ATOM 387 HG11 VAL A 29 37.655 4.174 -43.616 1.00 0.00 H ATOM 388 HG12 VAL A 29 36.090 4.816 -44.172 1.00 0.00 H ATOM 389 HG13 VAL A 29 36.731 5.289 -42.580 1.00 0.00 H ATOM 390 HG21 VAL A 29 33.980 4.102 -43.020 1.00 0.00 H ATOM 391 HG22 VAL A 29 34.083 3.004 -41.622 1.00 0.00 H ATOM 392 HG23 VAL A 29 34.742 4.654 -41.508 1.00 0.00 H ATOM 393 H VAL A 29 37.810 1.815 -44.225 1.00 0.00 H ATOM 394 N ALA A 30 34.053 2.518 -45.263 1.00 0.00 N ATOM 395 CA ALA A 30 33.452 3.148 -46.429 1.00 0.00 C ATOM 396 C ALA A 30 33.584 4.675 -46.350 1.00 0.00 C ATOM 397 O ALA A 30 33.089 5.304 -45.414 1.00 0.00 O ATOM 398 CB ALA A 30 31.985 2.754 -46.428 1.00 0.00 C ATOM 399 HA ALA A 30 33.951 2.824 -47.342 1.00 0.00 H ATOM 400 HB1 ALA A 30 31.902 1.669 -46.486 1.00 0.00 H ATOM 401 HB2 ALA A 30 31.516 3.107 -45.510 1.00 0.00 H ATOM 402 HB3 ALA A 30 31.489 3.204 -47.288 1.00 0.00 H ATOM 403 H ALA A 30 33.422 2.035 -44.592 1.00 0.00 H ATOM 404 N LEU A 31 34.206 5.268 -47.361 1.00 0.00 N ATOM 405 CA LEU A 31 34.225 6.704 -47.608 1.00 0.00 C ATOM 406 C LEU A 31 32.848 7.224 -48.041 1.00 0.00 C ATOM 407 O LEU A 31 32.469 8.323 -47.643 1.00 0.00 O ATOM 408 CB LEU A 31 35.272 6.989 -48.698 1.00 0.00 C ATOM 409 CG LEU A 31 36.706 6.589 -48.354 1.00 0.00 C ATOM 410 CD1 LEU A 31 37.681 7.088 -49.415 1.00 0.00 C ATOM 411 CD2 LEU A 31 37.142 7.103 -46.977 1.00 0.00 C ATOM 412 HA LEU A 31 34.483 7.222 -46.685 1.00 0.00 H ATOM 413 HB2 LEU A 31 34.978 6.446 -49.596 1.00 0.00 H ATOM 414 HB3 LEU A 31 35.262 8.060 -48.902 1.00 0.00 H ATOM 415 HG LEU A 31 36.723 5.499 -48.327 1.00 0.00 H ATOM 416 HD21 LEU A 31 37.083 8.191 -46.961 1.00 0.00 H ATOM 417 HD22 LEU A 31 36.484 6.691 -46.212 1.00 0.00 H ATOM 418 HD23 LEU A 31 38.168 6.791 -46.782 1.00 0.00 H ATOM 419 HD11 LEU A 31 37.418 6.655 -50.380 1.00 0.00 H ATOM 420 HD12 LEU A 31 37.625 8.175 -49.475 1.00 0.00 H ATOM 421 HD13 LEU A 31 38.694 6.789 -49.145 1.00 0.00 H ATOM 422 H LEU A 31 34.720 4.660 -48.030 1.00 0.00 H ATOM 423 N TYR A 32 32.102 6.429 -48.820 1.00 0.00 N ATOM 424 CA TYR A 32 30.809 6.792 -49.409 1.00 0.00 C ATOM 425 C TYR A 32 29.803 5.621 -49.396 1.00 0.00 C ATOM 426 O TYR A 32 30.186 4.459 -49.267 1.00 0.00 O ATOM 427 CB TYR A 32 31.067 7.240 -50.861 1.00 0.00 C ATOM 428 CG TYR A 32 32.380 7.975 -51.103 1.00 0.00 C ATOM 429 CD1 TYR A 32 32.614 9.234 -50.518 1.00 0.00 C ATOM 430 CD2 TYR A 32 33.397 7.372 -51.865 1.00 0.00 C ATOM 431 CE1 TYR A 32 33.852 9.878 -50.689 1.00 0.00 C ATOM 432 CE2 TYR A 32 34.657 7.976 -51.972 1.00 0.00 C ATOM 433 CZ TYR A 32 34.889 9.245 -51.405 1.00 0.00 C ATOM 434 OH TYR A 32 36.096 9.856 -51.545 1.00 0.00 O ATOM 435 HA TYR A 32 30.365 7.591 -48.815 1.00 0.00 H ATOM 436 HB3 TYR A 32 30.253 7.902 -51.157 1.00 0.00 H ATOM 437 HB2 TYR A 32 31.059 6.351 -51.492 1.00 0.00 H ATOM 438 HD2 TYR A 32 33.204 6.429 -52.376 1.00 0.00 H ATOM 439 HE2 TYR A 32 35.462 7.461 -52.497 1.00 0.00 H ATOM 440 HE1 TYR A 32 34.011 10.870 -50.267 1.00 0.00 H ATOM 441 HD1 TYR A 32 31.831 9.712 -49.929 1.00 0.00 H ATOM 442 HH TYR A 32 36.076 10.733 -51.085 1.00 0.00 H ATOM 443 H TYR A 32 32.470 5.478 -49.023 1.00 0.00 H ATOM 444 N ASP A 33 28.506 5.919 -49.535 1.00 0.00 N ATOM 445 CA ASP A 33 27.440 4.905 -49.622 1.00 0.00 C ATOM 446 C ASP A 33 27.438 4.165 -50.973 1.00 0.00 C ATOM 447 O ASP A 33 27.487 4.804 -52.028 1.00 0.00 O ATOM 448 CB ASP A 33 26.068 5.564 -49.420 1.00 0.00 C ATOM 449 CG ASP A 33 25.974 6.351 -48.107 1.00 0.00 C ATOM 450 OD1 ASP A 33 25.929 5.708 -47.033 1.00 0.00 O ATOM 451 OD2 ASP A 33 25.947 7.605 -48.150 1.00 0.00 O ATOM 452 HA ASP A 33 27.636 4.176 -48.836 1.00 0.00 H ATOM 453 HB2 ASP A 33 25.884 6.247 -50.250 1.00 0.00 H ATOM 454 HB3 ASP A 33 25.305 4.786 -49.415 1.00 0.00 H ATOM 455 H ASP A 33 28.235 6.922 -49.584 1.00 0.00 H ATOM 456 N TYR A 34 27.308 2.833 -50.949 1.00 0.00 N ATOM 457 CA TYR A 34 27.414 1.960 -52.127 1.00 0.00 C ATOM 458 C TYR A 34 26.325 0.884 -52.181 1.00 0.00 C ATOM 459 O TYR A 34 26.020 0.232 -51.182 1.00 0.00 O ATOM 460 CB TYR A 34 28.770 1.257 -52.130 1.00 0.00 C ATOM 461 CG TYR A 34 29.054 0.483 -53.402 1.00 0.00 C ATOM 462 CD1 TYR A 34 29.342 1.156 -54.603 1.00 0.00 C ATOM 463 CD2 TYR A 34 28.962 -0.918 -53.393 1.00 0.00 C ATOM 464 CE1 TYR A 34 29.500 0.428 -55.798 1.00 0.00 C ATOM 465 CE2 TYR A 34 29.113 -1.654 -54.583 1.00 0.00 C ATOM 466 CZ TYR A 34 29.360 -0.977 -55.793 1.00 0.00 C ATOM 467 OH TYR A 34 29.423 -1.678 -56.956 1.00 0.00 O ATOM 468 HA TYR A 34 27.295 2.607 -52.996 1.00 0.00 H ATOM 469 HB3 TYR A 34 28.799 0.562 -51.291 1.00 0.00 H ATOM 470 HB2 TYR A 34 29.548 2.010 -52.004 1.00 0.00 H ATOM 471 HD2 TYR A 34 28.772 -1.441 -52.456 1.00 0.00 H ATOM 472 HE2 TYR A 34 29.039 -2.741 -54.568 1.00 0.00 H ATOM 473 HE1 TYR A 34 29.730 0.949 -56.727 1.00 0.00 H ATOM 474 HD1 TYR A 34 29.443 2.241 -54.609 1.00 0.00 H ATOM 475 HH TYR A 34 29.602 -1.056 -57.705 1.00 0.00 H ATOM 476 H TYR A 34 27.118 2.383 -50.031 1.00 0.00 H ATOM 477 N GLU A 35 25.767 0.640 -53.368 1.00 0.00 N ATOM 478 CA GLU A 35 24.607 -0.219 -53.540 1.00 0.00 C ATOM 479 C GLU A 35 24.729 -1.136 -54.772 1.00 0.00 C ATOM 480 O GLU A 35 23.961 -1.023 -55.730 1.00 0.00 O ATOM 481 CB GLU A 35 23.355 0.667 -53.502 1.00 0.00 C ATOM 482 CG GLU A 35 22.213 -0.163 -52.941 1.00 0.00 C ATOM 483 CD GLU A 35 20.892 0.627 -52.916 1.00 0.00 C ATOM 484 OE1 GLU A 35 20.610 1.318 -51.906 1.00 0.00 O ATOM 485 OE2 GLU A 35 20.117 0.556 -53.902 1.00 0.00 O ATOM 486 HA GLU A 35 24.531 -0.934 -52.721 1.00 0.00 H ATOM 487 HB2 GLU A 35 23.533 1.533 -52.864 1.00 0.00 H ATOM 488 HB3 GLU A 35 23.109 1.004 -54.509 1.00 0.00 H ATOM 489 HG2 GLU A 35 22.083 -1.050 -53.561 1.00 0.00 H ATOM 490 HG3 GLU A 35 22.463 -0.466 -51.924 1.00 0.00 H ATOM 491 H GLU A 35 26.182 1.086 -54.211 1.00 0.00 H ATOM 492 N ALA A 36 25.741 -2.016 -54.736 1.00 0.00 N ATOM 493 CA ALA A 36 26.068 -3.053 -55.724 1.00 0.00 C ATOM 494 C ALA A 36 25.623 -2.765 -57.173 1.00 0.00 C ATOM 495 O ALA A 36 24.644 -3.329 -57.677 1.00 0.00 O ATOM 496 CB ALA A 36 25.601 -4.415 -55.196 1.00 0.00 C ATOM 497 HA ALA A 36 27.153 -3.059 -55.827 1.00 0.00 H ATOM 498 HB1 ALA A 36 26.107 -4.632 -54.255 1.00 0.00 H ATOM 499 HB2 ALA A 36 24.524 -4.390 -55.033 1.00 0.00 H ATOM 500 HB3 ALA A 36 25.841 -5.188 -55.926 1.00 0.00 H ATOM 501 H ALA A 36 26.369 -1.957 -53.909 1.00 0.00 H ATOM 502 N ILE A 37 26.366 -1.869 -57.840 1.00 0.00 N ATOM 503 CA ILE A 37 26.093 -1.413 -59.217 1.00 0.00 C ATOM 504 C ILE A 37 25.968 -2.594 -60.207 1.00 0.00 C ATOM 505 O ILE A 37 25.148 -2.564 -61.129 1.00 0.00 O ATOM 506 CB ILE A 37 27.181 -0.405 -59.682 1.00 0.00 C ATOM 507 CG1 ILE A 37 27.215 0.853 -58.779 1.00 0.00 C ATOM 508 CG2 ILE A 37 26.984 0.021 -61.151 1.00 0.00 C ATOM 509 CD1 ILE A 37 28.306 1.865 -59.149 1.00 0.00 C ATOM 510 HA ILE A 37 25.129 -0.904 -59.209 1.00 0.00 H ATOM 511 HB ILE A 37 28.135 -0.926 -59.599 1.00 0.00 H ATOM 512 HG12 ILE A 37 26.248 1.351 -58.850 1.00 0.00 H ATOM 513 HG13 ILE A 37 27.382 0.531 -57.751 1.00 0.00 H ATOM 514 HD11 ILE A 37 29.283 1.389 -59.071 1.00 0.00 H ATOM 515 HD12 ILE A 37 28.149 2.209 -60.171 1.00 0.00 H ATOM 516 HD13 ILE A 37 28.259 2.714 -58.467 1.00 0.00 H ATOM 517 HG21 ILE A 37 27.037 -0.858 -61.793 1.00 0.00 H ATOM 518 HG22 ILE A 37 26.009 0.496 -61.263 1.00 0.00 H ATOM 519 HG23 ILE A 37 27.767 0.725 -61.432 1.00 0.00 H ATOM 520 H ILE A 37 27.192 -1.468 -57.353 1.00 0.00 H ATOM 521 N HIS A 38 26.767 -3.644 -59.986 1.00 0.00 N ATOM 522 CA HIS A 38 26.837 -4.889 -60.768 1.00 0.00 C ATOM 523 C HIS A 38 26.935 -6.113 -59.825 1.00 0.00 C ATOM 524 O HIS A 38 26.978 -5.957 -58.602 1.00 0.00 O ATOM 525 CB HIS A 38 27.975 -4.760 -61.815 1.00 0.00 C ATOM 526 CG HIS A 38 29.203 -4.015 -61.336 1.00 0.00 C ATOM 527 ND1 HIS A 38 29.545 -2.703 -61.627 1.00 0.00 N ATOM 528 CD2 HIS A 38 30.122 -4.485 -60.447 1.00 0.00 C ATOM 529 CE1 HIS A 38 30.630 -2.379 -60.889 1.00 0.00 C ATOM 530 NE2 HIS A 38 31.003 -3.459 -60.171 1.00 0.00 N ATOM 531 HA HIS A 38 25.922 -5.058 -61.336 1.00 0.00 H ATOM 532 HB2 HIS A 38 28.281 -5.764 -62.108 1.00 0.00 H ATOM 533 HB3 HIS A 38 27.578 -4.235 -62.684 1.00 0.00 H ATOM 534 HD2 HIS A 38 30.156 -5.491 -60.029 1.00 0.00 H ATOM 535 HE1 HIS A 38 31.122 -1.407 -60.876 1.00 0.00 H ATOM 536 H HIS A 38 27.410 -3.573 -59.172 1.00 0.00 H ATOM 537 N HIS A 39 26.870 -7.332 -60.374 1.00 0.00 N ATOM 538 CA HIS A 39 26.727 -8.572 -59.588 1.00 0.00 C ATOM 539 C HIS A 39 27.952 -8.924 -58.714 1.00 0.00 C ATOM 540 O HIS A 39 29.076 -8.499 -58.983 1.00 0.00 O ATOM 541 CB HIS A 39 26.358 -9.738 -60.524 1.00 0.00 C ATOM 542 CG HIS A 39 27.449 -10.152 -61.485 1.00 0.00 C ATOM 543 ND1 HIS A 39 27.510 -9.856 -62.831 1.00 0.00 N ATOM 544 CD2 HIS A 39 28.539 -10.931 -61.196 1.00 0.00 C ATOM 545 CE1 HIS A 39 28.614 -10.431 -63.337 1.00 0.00 C ATOM 546 NE2 HIS A 39 29.279 -11.099 -62.375 1.00 0.00 N ATOM 547 HA HIS A 39 25.922 -8.393 -58.876 1.00 0.00 H ATOM 548 HB2 HIS A 39 26.104 -10.600 -59.907 1.00 0.00 H ATOM 549 HB3 HIS A 39 25.487 -9.441 -61.108 1.00 0.00 H ATOM 550 HD2 HIS A 39 28.787 -11.347 -60.220 1.00 0.00 H ATOM 551 HE1 HIS A 39 28.927 -10.366 -64.379 1.00 0.00 H ATOM 552 H HIS A 39 26.923 -7.409 -61.410 1.00 0.00 H ATOM 553 N GLU A 40 27.740 -9.780 -57.705 1.00 0.00 N ATOM 554 CA GLU A 40 28.735 -10.210 -56.707 1.00 0.00 C ATOM 555 C GLU A 40 29.482 -9.038 -56.037 1.00 0.00 C ATOM 556 O GLU A 40 30.707 -8.981 -56.060 1.00 0.00 O ATOM 557 CB GLU A 40 29.647 -11.320 -57.283 1.00 0.00 C ATOM 558 CG GLU A 40 30.116 -12.289 -56.195 1.00 0.00 C ATOM 559 CD GLU A 40 30.811 -13.536 -56.782 1.00 0.00 C ATOM 560 OE1 GLU A 40 31.681 -13.407 -57.678 1.00 0.00 O ATOM 561 OE2 GLU A 40 30.487 -14.668 -56.345 1.00 0.00 O ATOM 562 HA GLU A 40 28.196 -10.662 -55.874 1.00 0.00 H ATOM 563 HB2 GLU A 40 29.092 -11.877 -58.037 1.00 0.00 H ATOM 564 HB3 GLU A 40 30.519 -10.857 -57.744 1.00 0.00 H ATOM 565 HG2 GLU A 40 30.818 -11.770 -55.542 1.00 0.00 H ATOM 566 HG3 GLU A 40 29.251 -12.610 -55.614 1.00 0.00 H ATOM 567 H GLU A 40 26.783 -10.178 -57.618 1.00 0.00 H ATOM 568 N ASP A 41 28.761 -8.085 -55.437 1.00 0.00 N ATOM 569 CA ASP A 41 29.330 -7.017 -54.624 1.00 0.00 C ATOM 570 C ASP A 41 28.466 -6.824 -53.395 1.00 0.00 C ATOM 571 O ASP A 41 27.245 -7.020 -53.396 1.00 0.00 O ATOM 572 CB ASP A 41 29.436 -5.683 -55.373 1.00 0.00 C ATOM 573 CG ASP A 41 30.484 -5.720 -56.485 1.00 0.00 C ATOM 574 OD1 ASP A 41 31.694 -5.902 -56.223 1.00 0.00 O ATOM 575 OD2 ASP A 41 30.106 -5.614 -57.670 1.00 0.00 O ATOM 576 HA ASP A 41 30.343 -7.318 -54.357 1.00 0.00 H ATOM 577 HB2 ASP A 41 28.466 -5.451 -55.813 1.00 0.00 H ATOM 578 HB3 ASP A 41 29.707 -4.903 -54.662 1.00 0.00 H ATOM 579 H ASP A 41 27.728 -8.107 -55.558 1.00 0.00 H ATOM 580 N LEU A 42 29.147 -6.432 -52.335 1.00 0.00 N ATOM 581 CA LEU A 42 28.534 -5.912 -51.145 1.00 0.00 C ATOM 582 C LEU A 42 27.885 -4.562 -51.448 1.00 0.00 C ATOM 583 O LEU A 42 28.410 -3.770 -52.227 1.00 0.00 O ATOM 584 CB LEU A 42 29.640 -5.753 -50.087 1.00 0.00 C ATOM 585 CG LEU A 42 29.353 -6.361 -48.725 1.00 0.00 C ATOM 586 CD1 LEU A 42 30.330 -5.897 -47.654 1.00 0.00 C ATOM 587 CD2 LEU A 42 27.922 -6.343 -48.230 1.00 0.00 C ATOM 588 HA LEU A 42 27.758 -6.584 -50.780 1.00 0.00 H ATOM 589 HB2 LEU A 42 30.544 -6.220 -50.477 1.00 0.00 H ATOM 590 HB3 LEU A 42 29.816 -4.687 -49.946 1.00 0.00 H ATOM 591 HG LEU A 42 29.522 -7.420 -48.923 1.00 0.00 H ATOM 592 HD21 LEU A 42 27.576 -5.312 -48.161 1.00 0.00 H ATOM 593 HD22 LEU A 42 27.291 -6.894 -48.927 1.00 0.00 H ATOM 594 HD23 LEU A 42 27.873 -6.811 -47.247 1.00 0.00 H ATOM 595 HD11 LEU A 42 31.343 -6.182 -47.940 1.00 0.00 H ATOM 596 HD12 LEU A 42 30.270 -4.813 -47.555 1.00 0.00 H ATOM 597 HD13 LEU A 42 30.074 -6.365 -46.703 1.00 0.00 H ATOM 598 H LEU A 42 30.184 -6.504 -52.363 1.00 0.00 H ATOM 599 N SER A 43 26.802 -4.269 -50.744 1.00 0.00 N ATOM 600 CA SER A 43 26.253 -2.927 -50.602 1.00 0.00 C ATOM 601 C SER A 43 26.426 -2.486 -49.153 1.00 0.00 C ATOM 602 O SER A 43 25.866 -3.076 -48.225 1.00 0.00 O ATOM 603 CB SER A 43 24.764 -2.947 -50.936 1.00 0.00 C ATOM 604 OG SER A 43 24.536 -3.299 -52.286 1.00 0.00 O ATOM 605 HA SER A 43 26.768 -2.242 -51.275 1.00 0.00 H ATOM 606 HB2 SER A 43 24.347 -1.956 -50.754 1.00 0.00 H ATOM 607 HB3 SER A 43 24.267 -3.673 -50.292 1.00 0.00 H ATOM 608 HG SER A 43 23.562 -3.302 -52.465 1.00 0.00 H ATOM 609 H SER A 43 26.311 -5.048 -50.261 1.00 0.00 H ATOM 610 N PHE A 44 27.226 -1.446 -48.980 1.00 0.00 N ATOM 611 CA PHE A 44 27.600 -0.848 -47.697 1.00 0.00 C ATOM 612 C PHE A 44 27.223 0.639 -47.634 1.00 0.00 C ATOM 613 O PHE A 44 26.771 1.240 -48.608 1.00 0.00 O ATOM 614 CB PHE A 44 29.094 -1.065 -47.459 1.00 0.00 C ATOM 615 CG PHE A 44 29.970 -0.585 -48.593 1.00 0.00 C ATOM 616 CD1 PHE A 44 30.379 0.762 -48.651 1.00 0.00 C ATOM 617 CD2 PHE A 44 30.318 -1.479 -49.622 1.00 0.00 C ATOM 618 CE1 PHE A 44 31.183 1.201 -49.723 1.00 0.00 C ATOM 619 CE2 PHE A 44 31.102 -1.031 -50.694 1.00 0.00 C ATOM 620 CZ PHE A 44 31.543 0.303 -50.741 1.00 0.00 C ATOM 621 HA PHE A 44 27.041 -1.338 -46.900 1.00 0.00 H ATOM 622 HB2 PHE A 44 29.379 -0.529 -46.554 1.00 0.00 H ATOM 623 HB3 PHE A 44 29.268 -2.132 -47.318 1.00 0.00 H ATOM 624 HD2 PHE A 44 29.980 -2.515 -49.586 1.00 0.00 H ATOM 625 HE2 PHE A 44 31.371 -1.720 -51.495 1.00 0.00 H ATOM 626 HZ PHE A 44 32.166 0.641 -51.569 1.00 0.00 H ATOM 627 HE1 PHE A 44 31.524 2.235 -49.761 1.00 0.00 H ATOM 628 HD1 PHE A 44 30.076 1.461 -47.872 1.00 0.00 H ATOM 629 H PHE A 44 27.627 -1.013 -49.836 1.00 0.00 H ATOM 630 N GLN A 45 27.438 1.271 -46.485 1.00 0.00 N ATOM 631 CA GLN A 45 27.134 2.686 -46.280 1.00 0.00 C ATOM 632 C GLN A 45 28.356 3.434 -45.797 1.00 0.00 C ATOM 633 O GLN A 45 29.243 2.836 -45.199 1.00 0.00 O ATOM 634 CB GLN A 45 25.980 2.827 -45.293 1.00 0.00 C ATOM 635 CG GLN A 45 24.689 2.554 -46.065 1.00 0.00 C ATOM 636 CD GLN A 45 23.448 2.764 -45.205 1.00 0.00 C ATOM 637 OE1 GLN A 45 23.166 2.024 -44.271 1.00 0.00 O ATOM 638 NE2 GLN A 45 22.656 3.779 -45.481 1.00 0.00 N ATOM 639 HA GLN A 45 26.835 3.125 -47.232 1.00 0.00 H ATOM 640 HB2 GLN A 45 26.091 2.106 -44.483 1.00 0.00 H ATOM 641 HB3 GLN A 45 25.962 3.836 -44.880 1.00 0.00 H ATOM 642 HG2 GLN A 45 24.642 3.228 -46.920 1.00 0.00 H ATOM 643 HG3 GLN A 45 24.702 1.523 -46.417 1.00 0.00 H ATOM 644 HE22 GLN A 45 22.883 4.416 -46.271 1.00 0.00 H ATOM 645 HE21 GLN A 45 21.803 3.944 -44.909 1.00 0.00 H ATOM 646 H GLN A 45 27.842 0.732 -45.693 1.00 0.00 H ATOM 647 N LYS A 46 28.396 4.743 -46.033 1.00 0.00 N ATOM 648 CA LYS A 46 29.458 5.617 -45.550 1.00 0.00 C ATOM 649 C LYS A 46 29.626 5.443 -44.051 1.00 0.00 C ATOM 650 O LYS A 46 28.680 5.622 -43.278 1.00 0.00 O ATOM 651 CB LYS A 46 29.146 7.065 -45.924 1.00 0.00 C ATOM 652 CG LYS A 46 30.193 8.016 -45.323 1.00 0.00 C ATOM 653 CD LYS A 46 30.149 9.427 -45.916 1.00 0.00 C ATOM 654 CE LYS A 46 31.359 10.204 -45.372 1.00 0.00 C ATOM 655 NZ LYS A 46 31.878 11.186 -46.361 1.00 0.00 N ATOM 656 HA LYS A 46 30.403 5.348 -46.022 1.00 0.00 H ATOM 657 HB2 LYS A 46 29.152 7.164 -47.009 1.00 0.00 H ATOM 658 HB3 LYS A 46 28.160 7.330 -45.542 1.00 0.00 H ATOM 659 HG2 LYS A 46 30.019 8.087 -44.249 1.00 0.00 H ATOM 660 HG3 LYS A 46 31.183 7.597 -45.502 1.00 0.00 H ATOM 661 HD2 LYS A 46 30.200 9.374 -47.004 1.00 0.00 H ATOM 662 HD3 LYS A 46 29.225 9.925 -45.621 1.00 0.00 H ATOM 663 HE2 LYS A 46 32.152 9.497 -45.128 1.00 0.00 H ATOM 664 HE3 LYS A 46 31.059 10.737 -44.470 1.00 0.00 H ATOM 665 HZ1 LYS A 46 32.173 10.685 -47.223 1.00 0.00 H ATOM 666 HZ2 LYS A 46 31.130 11.869 -46.595 1.00 0.00 H ATOM 667 HZ3 LYS A 46 32.693 11.688 -45.954 1.00 0.00 H ATOM 668 H LYS A 46 27.628 5.165 -46.592 1.00 0.00 H ATOM 669 N GLY A 47 30.841 5.071 -43.664 1.00 0.00 N ATOM 670 CA GLY A 47 31.162 4.831 -42.269 1.00 0.00 C ATOM 671 C GLY A 47 30.867 3.398 -41.793 1.00 0.00 C ATOM 672 O GLY A 47 31.010 3.109 -40.606 1.00 0.00 O ATOM 673 HA3 GLY A 47 30.578 5.521 -41.660 1.00 0.00 H ATOM 674 HA2 GLY A 47 32.224 5.028 -42.123 1.00 0.00 H ATOM 675 H GLY A 47 31.584 4.948 -44.381 1.00 0.00 H ATOM 676 N ASP A 48 30.490 2.486 -42.699 1.00 0.00 N ATOM 677 CA ASP A 48 30.565 1.042 -42.476 1.00 0.00 C ATOM 678 C ASP A 48 32.031 0.671 -42.480 1.00 0.00 C ATOM 679 O ASP A 48 32.716 0.788 -43.499 1.00 0.00 O ATOM 680 CB ASP A 48 29.875 0.231 -43.590 1.00 0.00 C ATOM 681 CG ASP A 48 29.662 -1.247 -43.221 1.00 0.00 C ATOM 682 OD1 ASP A 48 29.379 -1.555 -42.039 1.00 0.00 O ATOM 683 OD2 ASP A 48 29.717 -2.094 -44.142 1.00 0.00 O ATOM 684 HA ASP A 48 30.062 0.812 -41.537 1.00 0.00 H ATOM 685 HB2 ASP A 48 28.903 0.681 -43.795 1.00 0.00 H ATOM 686 HB3 ASP A 48 30.493 0.279 -44.487 1.00 0.00 H ATOM 687 H ASP A 48 30.124 2.823 -43.612 1.00 0.00 H ATOM 688 N GLN A 49 32.529 0.228 -41.340 1.00 0.00 N ATOM 689 CA GLN A 49 33.751 -0.512 -41.346 1.00 0.00 C ATOM 690 C GLN A 49 33.511 -1.907 -41.882 1.00 0.00 C ATOM 691 O GLN A 49 32.461 -2.515 -41.691 1.00 0.00 O ATOM 692 CB GLN A 49 34.396 -0.501 -39.983 1.00 0.00 C ATOM 693 CG GLN A 49 35.280 0.744 -39.829 1.00 0.00 C ATOM 694 CD GLN A 49 34.822 1.684 -38.736 1.00 0.00 C ATOM 695 OE1 GLN A 49 33.712 2.195 -38.721 1.00 0.00 O ATOM 696 NE2 GLN A 49 35.684 1.993 -37.802 1.00 0.00 N ATOM 697 HA GLN A 49 34.462 -0.031 -42.018 1.00 0.00 H ATOM 698 HB2 GLN A 49 33.621 -0.490 -39.217 1.00 0.00 H ATOM 699 HB3 GLN A 49 35.008 -1.395 -39.866 1.00 0.00 H ATOM 700 HG2 GLN A 49 36.295 0.419 -39.601 1.00 0.00 H ATOM 701 HG3 GLN A 49 35.277 1.287 -40.774 1.00 0.00 H ATOM 702 HE22 GLN A 49 36.631 1.564 -37.806 1.00 0.00 H ATOM 703 HE21 GLN A 49 35.422 2.668 -37.055 1.00 0.00 H ATOM 704 H GLN A 49 32.035 0.416 -40.444 1.00 0.00 H ATOM 705 N MET A 50 34.531 -2.416 -42.542 1.00 0.00 N ATOM 706 CA MET A 50 34.537 -3.731 -43.148 1.00 0.00 C ATOM 707 C MET A 50 35.905 -4.366 -42.962 1.00 0.00 C ATOM 708 O MET A 50 36.932 -3.737 -43.207 1.00 0.00 O ATOM 709 CB MET A 50 34.209 -3.664 -44.643 1.00 0.00 C ATOM 710 CG MET A 50 32.881 -2.972 -44.984 1.00 0.00 C ATOM 711 SD MET A 50 32.588 -2.722 -46.753 1.00 0.00 S ATOM 712 CE MET A 50 33.116 -0.996 -46.905 1.00 0.00 C ATOM 713 HA MET A 50 33.770 -4.332 -42.659 1.00 0.00 H ATOM 714 HB2 MET A 50 35.012 -3.121 -45.142 1.00 0.00 H ATOM 715 HB3 MET A 50 34.168 -4.683 -45.027 1.00 0.00 H ATOM 716 HG2 MET A 50 32.872 -1.997 -44.497 1.00 0.00 H ATOM 717 HG3 MET A 50 32.069 -3.582 -44.588 1.00 0.00 H ATOM 718 HE1 MET A 50 32.501 -0.371 -46.258 1.00 0.00 H ATOM 719 HE2 MET A 50 34.161 -0.910 -46.609 1.00 0.00 H ATOM 720 HE3 MET A 50 33.002 -0.672 -47.940 1.00 0.00 H ATOM 721 H MET A 50 35.389 -1.835 -42.634 1.00 0.00 H ATOM 722 N VAL A 51 35.903 -5.630 -42.564 1.00 0.00 N ATOM 723 CA VAL A 51 37.091 -6.483 -42.593 1.00 0.00 C ATOM 724 C VAL A 51 37.313 -6.918 -44.040 1.00 0.00 C ATOM 725 O VAL A 51 36.590 -7.771 -44.549 1.00 0.00 O ATOM 726 CB VAL A 51 36.903 -7.735 -41.708 1.00 0.00 C ATOM 727 CG1 VAL A 51 38.109 -8.670 -41.784 1.00 0.00 C ATOM 728 CG2 VAL A 51 36.680 -7.402 -40.234 1.00 0.00 C ATOM 729 HA VAL A 51 37.946 -5.927 -42.208 1.00 0.00 H ATOM 730 HB VAL A 51 36.012 -8.220 -42.107 1.00 0.00 H ATOM 731 HG11 VAL A 51 38.250 -8.997 -42.814 1.00 0.00 H ATOM 732 HG12 VAL A 51 38.999 -8.141 -41.445 1.00 0.00 H ATOM 733 HG13 VAL A 51 37.935 -9.537 -41.147 1.00 0.00 H ATOM 734 HG21 VAL A 51 37.542 -6.854 -39.852 1.00 0.00 H ATOM 735 HG22 VAL A 51 35.784 -6.789 -40.133 1.00 0.00 H ATOM 736 HG23 VAL A 51 36.555 -8.326 -39.669 1.00 0.00 H ATOM 737 H VAL A 51 35.012 -6.036 -42.213 1.00 0.00 H ATOM 738 N VAL A 52 38.279 -6.323 -44.725 1.00 0.00 N ATOM 739 CA VAL A 52 38.792 -6.802 -46.017 1.00 0.00 C ATOM 740 C VAL A 52 39.488 -8.160 -45.831 1.00 0.00 C ATOM 741 O VAL A 52 40.206 -8.384 -44.854 1.00 0.00 O ATOM 742 CB VAL A 52 39.716 -5.729 -46.614 1.00 0.00 C ATOM 743 CG1 VAL A 52 40.623 -6.196 -47.755 1.00 0.00 C ATOM 744 CG2 VAL A 52 38.909 -4.513 -47.071 1.00 0.00 C ATOM 745 HA VAL A 52 37.978 -6.964 -46.723 1.00 0.00 H ATOM 746 HB VAL A 52 40.386 -5.469 -45.795 1.00 0.00 H ATOM 747 HG11 VAL A 52 41.272 -6.995 -47.398 1.00 0.00 H ATOM 748 HG12 VAL A 52 40.010 -6.565 -48.577 1.00 0.00 H ATOM 749 HG13 VAL A 52 41.231 -5.359 -48.100 1.00 0.00 H ATOM 750 HG21 VAL A 52 38.189 -4.820 -47.830 1.00 0.00 H ATOM 751 HG22 VAL A 52 38.380 -4.088 -46.218 1.00 0.00 H ATOM 752 HG23 VAL A 52 39.584 -3.767 -47.490 1.00 0.00 H ATOM 753 H VAL A 52 38.701 -5.462 -44.323 1.00 0.00 H ATOM 754 N LEU A 53 39.256 -9.064 -46.786 1.00 0.00 N ATOM 755 CA LEU A 53 39.624 -10.484 -46.775 1.00 0.00 C ATOM 756 C LEU A 53 40.550 -10.832 -47.951 1.00 0.00 C ATOM 757 O LEU A 53 41.509 -11.581 -47.764 1.00 0.00 O ATOM 758 CB LEU A 53 38.357 -11.362 -46.881 1.00 0.00 C ATOM 759 CG LEU A 53 37.234 -11.075 -45.866 1.00 0.00 C ATOM 760 CD1 LEU A 53 35.992 -11.920 -46.143 1.00 0.00 C ATOM 761 CD2 LEU A 53 37.683 -11.355 -44.433 1.00 0.00 C ATOM 762 HA LEU A 53 40.146 -10.677 -45.838 1.00 0.00 H ATOM 763 HB2 LEU A 53 37.943 -11.227 -47.880 1.00 0.00 H ATOM 764 HB3 LEU A 53 38.662 -12.401 -46.753 1.00 0.00 H ATOM 765 HG LEU A 53 36.994 -10.018 -45.978 1.00 0.00 H ATOM 766 HD21 LEU A 53 37.970 -12.403 -44.342 1.00 0.00 H ATOM 767 HD22 LEU A 53 38.536 -10.721 -44.190 1.00 0.00 H ATOM 768 HD23 LEU A 53 36.863 -11.140 -43.748 1.00 0.00 H ATOM 769 HD11 LEU A 53 35.618 -11.697 -47.142 1.00 0.00 H ATOM 770 HD12 LEU A 53 36.251 -12.977 -46.079 1.00 0.00 H ATOM 771 HD13 LEU A 53 35.224 -11.688 -45.405 1.00 0.00 H ATOM 772 H LEU A 53 38.758 -8.723 -47.633 1.00 0.00 H ATOM 773 N GLU A 54 40.309 -10.252 -49.137 1.00 0.00 N ATOM 774 CA GLU A 54 41.255 -10.294 -50.255 1.00 0.00 C ATOM 775 C GLU A 54 41.455 -8.909 -50.874 1.00 0.00 C ATOM 776 O GLU A 54 40.508 -8.142 -51.025 1.00 0.00 O ATOM 777 CB GLU A 54 40.802 -11.279 -51.342 1.00 0.00 C ATOM 778 CG GLU A 54 41.011 -12.754 -50.980 1.00 0.00 C ATOM 779 CD GLU A 54 42.482 -13.151 -50.717 1.00 0.00 C ATOM 780 OE1 GLU A 54 43.418 -12.461 -51.191 1.00 0.00 O ATOM 781 OE2 GLU A 54 42.712 -14.198 -50.061 1.00 0.00 O ATOM 782 HA GLU A 54 42.205 -10.637 -49.845 1.00 0.00 H ATOM 783 HB2 GLU A 54 39.740 -11.119 -51.527 1.00 0.00 H ATOM 784 HB3 GLU A 54 41.364 -11.067 -52.252 1.00 0.00 H ATOM 785 HG2 GLU A 54 40.435 -12.968 -50.080 1.00 0.00 H ATOM 786 HG3 GLU A 54 40.636 -13.363 -51.803 1.00 0.00 H ATOM 787 H GLU A 54 39.408 -9.749 -49.269 1.00 0.00 H ATOM 788 N GLU A 55 42.694 -8.627 -51.268 1.00 0.00 N ATOM 789 CA GLU A 55 43.195 -7.338 -51.773 1.00 0.00 C ATOM 790 C GLU A 55 44.255 -7.650 -52.846 1.00 0.00 C ATOM 791 O GLU A 55 45.428 -7.890 -52.544 1.00 0.00 O ATOM 792 CB GLU A 55 43.726 -6.490 -50.596 1.00 0.00 C ATOM 793 CG GLU A 55 44.526 -5.225 -50.946 1.00 0.00 C ATOM 794 CD GLU A 55 45.308 -4.705 -49.720 1.00 0.00 C ATOM 795 OE1 GLU A 55 44.756 -3.940 -48.890 1.00 0.00 O ATOM 796 OE2 GLU A 55 46.509 -5.045 -49.580 1.00 0.00 O ATOM 797 HA GLU A 55 42.411 -6.738 -52.236 1.00 0.00 H ATOM 798 HB2 GLU A 55 42.867 -6.181 -50.001 1.00 0.00 H ATOM 799 HB3 GLU A 55 44.371 -7.131 -49.995 1.00 0.00 H ATOM 800 HG2 GLU A 55 45.230 -5.458 -51.745 1.00 0.00 H ATOM 801 HG3 GLU A 55 43.838 -4.450 -51.284 1.00 0.00 H ATOM 802 H GLU A 55 43.385 -9.403 -51.213 1.00 0.00 H ATOM 803 N SER A 56 43.809 -7.746 -54.105 1.00 0.00 N ATOM 804 CA SER A 56 44.623 -8.220 -55.244 1.00 0.00 C ATOM 805 C SER A 56 44.276 -7.522 -56.572 1.00 0.00 C ATOM 806 O SER A 56 44.500 -8.061 -57.660 1.00 0.00 O ATOM 807 CB SER A 56 44.451 -9.741 -55.376 1.00 0.00 C ATOM 808 OG SER A 56 45.474 -10.311 -56.179 1.00 0.00 O ATOM 809 HA SER A 56 45.663 -7.967 -55.036 1.00 0.00 H ATOM 810 HB2 SER A 56 43.484 -9.950 -55.832 1.00 0.00 H ATOM 811 HB3 SER A 56 44.488 -10.190 -54.383 1.00 0.00 H ATOM 812 HG SER A 56 45.443 -9.911 -57.084 1.00 0.00 H ATOM 813 H SER A 56 42.825 -7.469 -54.294 1.00 0.00 H ATOM 814 N GLY A 57 43.670 -6.340 -56.484 1.00 0.00 N ATOM 815 CA GLY A 57 43.057 -5.622 -57.598 1.00 0.00 C ATOM 816 C GLY A 57 42.358 -4.351 -57.109 1.00 0.00 C ATOM 817 O GLY A 57 42.473 -3.986 -55.936 1.00 0.00 O ATOM 818 HA3 GLY A 57 42.325 -6.269 -58.081 1.00 0.00 H ATOM 819 HA2 GLY A 57 43.830 -5.351 -58.317 1.00 0.00 H ATOM 820 H GLY A 57 43.630 -5.892 -55.546 1.00 0.00 H ATOM 821 N GLU A 58 41.629 -3.665 -57.991 1.00 0.00 N ATOM 822 CA GLU A 58 40.881 -2.453 -57.614 1.00 0.00 C ATOM 823 C GLU A 58 39.614 -2.750 -56.787 1.00 0.00 C ATOM 824 O GLU A 58 39.068 -1.845 -56.152 1.00 0.00 O ATOM 825 CB GLU A 58 40.545 -1.604 -58.849 1.00 0.00 C ATOM 826 CG GLU A 58 41.777 -1.297 -59.713 1.00 0.00 C ATOM 827 CD GLU A 58 41.528 -0.143 -60.705 1.00 0.00 C ATOM 828 OE1 GLU A 58 40.615 -0.240 -61.561 1.00 0.00 O ATOM 829 OE2 GLU A 58 42.275 0.867 -60.654 1.00 0.00 O ATOM 830 HA GLU A 58 41.542 -1.879 -56.964 1.00 0.00 H ATOM 831 HB2 GLU A 58 39.819 -2.144 -59.457 1.00 0.00 H ATOM 832 HB3 GLU A 58 40.109 -0.662 -58.516 1.00 0.00 H ATOM 833 HG2 GLU A 58 42.604 -1.024 -59.058 1.00 0.00 H ATOM 834 HG3 GLU A 58 42.041 -2.192 -60.276 1.00 0.00 H ATOM 835 H GLU A 58 41.587 -3.996 -58.976 1.00 0.00 H ATOM 836 N TRP A 59 39.179 -4.011 -56.721 1.00 0.00 N ATOM 837 CA TRP A 59 38.064 -4.471 -55.893 1.00 0.00 C ATOM 838 C TRP A 59 38.542 -5.533 -54.908 1.00 0.00 C ATOM 839 O TRP A 59 39.316 -6.429 -55.251 1.00 0.00 O ATOM 840 CB TRP A 59 36.926 -5.022 -56.760 1.00 0.00 C ATOM 841 CG TRP A 59 36.323 -4.048 -57.719 1.00 0.00 C ATOM 842 CD1 TRP A 59 36.915 -3.627 -58.860 1.00 0.00 C ATOM 843 CD2 TRP A 59 35.027 -3.367 -57.652 1.00 0.00 C ATOM 844 NE1 TRP A 59 36.087 -2.736 -59.505 1.00 0.00 N ATOM 845 CE2 TRP A 59 34.908 -2.547 -58.818 1.00 0.00 C ATOM 846 CE3 TRP A 59 33.937 -3.359 -56.744 1.00 0.00 C ATOM 847 CZ2 TRP A 59 33.771 -1.772 -59.085 1.00 0.00 C ATOM 848 CZ3 TRP A 59 32.789 -2.586 -57.015 1.00 0.00 C ATOM 849 CH2 TRP A 59 32.705 -1.798 -58.174 1.00 0.00 C ATOM 850 HA TRP A 59 37.680 -3.618 -55.334 1.00 0.00 H ATOM 851 HB2 TRP A 59 37.317 -5.862 -57.334 1.00 0.00 H ATOM 852 HB3 TRP A 59 36.136 -5.373 -56.096 1.00 0.00 H ATOM 853 HE1 TRP A 59 36.323 -2.264 -60.401 1.00 0.00 H ATOM 854 HD1 TRP A 59 37.896 -3.944 -59.214 1.00 0.00 H ATOM 855 HZ2 TRP A 59 33.716 -1.160 -59.985 1.00 0.00 H ATOM 856 HH2 TRP A 59 31.810 -1.206 -58.366 1.00 0.00 H ATOM 857 HZ3 TRP A 59 31.954 -2.601 -56.314 1.00 0.00 H ATOM 858 HE3 TRP A 59 33.987 -3.954 -55.832 1.00 0.00 H ATOM 859 H TRP A 59 39.670 -4.720 -57.302 1.00 0.00 H ATOM 860 N TRP A 60 38.070 -5.438 -53.671 1.00 0.00 N ATOM 861 CA TRP A 60 38.524 -6.244 -52.538 1.00 0.00 C ATOM 862 C TRP A 60 37.362 -7.043 -51.962 1.00 0.00 C ATOM 863 O TRP A 60 36.266 -6.508 -51.840 1.00 0.00 O ATOM 864 CB TRP A 60 39.089 -5.297 -51.474 1.00 0.00 C ATOM 865 CG TRP A 60 40.239 -4.416 -51.858 1.00 0.00 C ATOM 866 CD1 TRP A 60 41.036 -4.511 -52.950 1.00 0.00 C ATOM 867 CD2 TRP A 60 40.745 -3.273 -51.114 1.00 0.00 C ATOM 868 NE1 TRP A 60 41.963 -3.497 -52.949 1.00 0.00 N ATOM 869 CE2 TRP A 60 41.861 -2.725 -51.817 1.00 0.00 C ATOM 870 CE3 TRP A 60 40.361 -2.647 -49.911 1.00 0.00 C ATOM 871 CZ2 TRP A 60 42.561 -1.604 -51.360 1.00 0.00 C ATOM 872 CZ3 TRP A 60 41.109 -1.568 -49.409 1.00 0.00 C ATOM 873 CH2 TRP A 60 42.169 -1.028 -50.144 1.00 0.00 C ATOM 874 HA TRP A 60 39.292 -6.946 -52.863 1.00 0.00 H ATOM 875 HB2 TRP A 60 38.275 -4.647 -51.153 1.00 0.00 H ATOM 876 HB3 TRP A 60 39.416 -5.910 -50.634 1.00 0.00 H ATOM 877 HE1 TRP A 60 42.654 -3.334 -53.709 1.00 0.00 H ATOM 878 HD1 TRP A 60 40.954 -5.280 -53.718 1.00 0.00 H ATOM 879 HZ2 TRP A 60 43.389 -1.189 -51.934 1.00 0.00 H ATOM 880 HH2 TRP A 60 42.695 -0.151 -49.768 1.00 0.00 H ATOM 881 HZ3 TRP A 60 40.860 -1.147 -48.435 1.00 0.00 H ATOM 882 HE3 TRP A 60 39.483 -3.000 -49.370 1.00 0.00 H ATOM 883 H TRP A 60 37.321 -4.738 -53.494 1.00 0.00 H ATOM 884 N LYS A 61 37.557 -8.309 -51.580 1.00 0.00 N ATOM 885 CA LYS A 61 36.520 -9.015 -50.801 1.00 0.00 C ATOM 886 C LYS A 61 36.510 -8.437 -49.389 1.00 0.00 C ATOM 887 O LYS A 61 37.582 -8.290 -48.813 1.00 0.00 O ATOM 888 CB LYS A 61 36.760 -10.532 -50.781 1.00 0.00 C ATOM 889 CG LYS A 61 35.446 -11.263 -50.449 1.00 0.00 C ATOM 890 CD LYS A 61 35.709 -12.687 -49.956 1.00 0.00 C ATOM 891 CE LYS A 61 34.390 -13.461 -49.805 1.00 0.00 C ATOM 892 NZ LYS A 61 34.622 -14.869 -49.374 1.00 0.00 N ATOM 893 HA LYS A 61 35.547 -8.866 -51.270 1.00 0.00 H ATOM 894 HB2 LYS A 61 37.117 -10.855 -51.759 1.00 0.00 H ATOM 895 HB3 LYS A 61 37.508 -10.770 -50.025 1.00 0.00 H ATOM 896 HG2 LYS A 61 34.919 -10.710 -49.672 1.00 0.00 H ATOM 897 HG3 LYS A 61 34.828 -11.306 -51.346 1.00 0.00 H ATOM 898 HD2 LYS A 61 36.347 -13.203 -50.674 1.00 0.00 H ATOM 899 HD3 LYS A 61 36.212 -12.644 -48.990 1.00 0.00 H ATOM 900 HE2 LYS A 61 33.871 -13.466 -50.764 1.00 0.00 H ATOM 901 HE3 LYS A 61 33.770 -12.961 -49.061 1.00 0.00 H ATOM 902 HZ1 LYS A 61 35.208 -15.355 -50.083 1.00 0.00 H ATOM 903 HZ2 LYS A 61 35.111 -14.873 -48.456 1.00 0.00 H ATOM 904 HZ3 LYS A 61 33.708 -15.358 -49.283 1.00 0.00 H ATOM 905 H LYS A 61 38.440 -8.797 -51.832 1.00 0.00 H ATOM 906 N ALA A 62 35.350 -8.151 -48.809 1.00 0.00 N ATOM 907 CA ALA A 62 35.240 -7.673 -47.433 1.00 0.00 C ATOM 908 C ALA A 62 33.946 -8.127 -46.740 1.00 0.00 C ATOM 909 O ALA A 62 32.998 -8.584 -47.382 1.00 0.00 O ATOM 910 CB ALA A 62 35.357 -6.141 -47.439 1.00 0.00 C ATOM 911 HA ALA A 62 36.051 -8.113 -46.852 1.00 0.00 H ATOM 912 HB1 ALA A 62 36.321 -5.853 -47.858 1.00 0.00 H ATOM 913 HB2 ALA A 62 34.556 -5.719 -48.045 1.00 0.00 H ATOM 914 HB3 ALA A 62 35.277 -5.768 -46.418 1.00 0.00 H ATOM 915 H ALA A 62 34.477 -8.273 -49.361 1.00 0.00 H ATOM 916 N ARG A 63 33.901 -7.941 -45.416 1.00 0.00 N ATOM 917 CA ARG A 63 32.719 -8.144 -44.572 1.00 0.00 C ATOM 918 C ARG A 63 32.420 -6.907 -43.741 1.00 0.00 C ATOM 919 O ARG A 63 33.257 -6.524 -42.934 1.00 0.00 O ATOM 920 CB ARG A 63 32.962 -9.377 -43.684 1.00 0.00 C ATOM 921 CG ARG A 63 31.929 -9.582 -42.551 1.00 0.00 C ATOM 922 CD ARG A 63 32.575 -9.515 -41.162 1.00 0.00 C ATOM 923 NE ARG A 63 33.531 -10.625 -40.958 1.00 0.00 N ATOM 924 CZ ARG A 63 34.148 -10.954 -39.835 1.00 0.00 C ATOM 925 NH1 ARG A 63 33.964 -10.296 -38.725 1.00 0.00 N ATOM 926 NH2 ARG A 63 34.968 -11.963 -39.804 1.00 0.00 N ATOM 927 HA ARG A 63 31.843 -8.316 -45.198 1.00 0.00 H ATOM 928 HB2 ARG A 63 32.945 -10.261 -44.321 1.00 0.00 H ATOM 929 HB3 ARG A 63 33.948 -9.277 -43.229 1.00 0.00 H ATOM 930 HG2 ARG A 63 31.169 -8.804 -42.623 1.00 0.00 H ATOM 931 HG3 ARG A 63 31.461 -10.559 -42.674 1.00 0.00 H ATOM 932 HD2 ARG A 63 31.794 -9.575 -40.404 1.00 0.00 H ATOM 933 HD3 ARG A 63 33.104 -8.567 -41.062 1.00 0.00 H ATOM 934 HE ARG A 63 33.742 -11.212 -41.790 1.00 0.00 H ATOM 935 HH12 ARG A 63 34.466 -10.583 -37.861 1.00 0.00 H ATOM 936 HH11 ARG A 63 33.315 -9.484 -38.703 1.00 0.00 H ATOM 937 HH22 ARG A 63 35.449 -12.215 -38.917 1.00 0.00 H ATOM 938 HH21 ARG A 63 35.143 -12.518 -40.666 1.00 0.00 H ATOM 939 H ARG A 63 34.775 -7.627 -44.947 1.00 0.00 H ATOM 940 N SER A 64 31.221 -6.346 -43.875 1.00 0.00 N ATOM 941 CA SER A 64 30.635 -5.322 -43.005 1.00 0.00 C ATOM 942 C SER A 64 30.748 -5.715 -41.550 1.00 0.00 C ATOM 943 O SER A 64 30.059 -6.602 -41.064 1.00 0.00 O ATOM 944 CB SER A 64 29.177 -5.077 -43.384 1.00 0.00 C ATOM 945 OG SER A 64 29.090 -4.539 -44.682 1.00 0.00 O ATOM 946 HA SER A 64 31.193 -4.396 -43.145 1.00 0.00 H ATOM 947 HB2 SER A 64 28.734 -4.378 -42.675 1.00 0.00 H ATOM 948 HB3 SER A 64 28.633 -6.021 -43.349 1.00 0.00 H ATOM 949 HG SER A 64 29.581 -3.680 -44.715 1.00 0.00 H ATOM 950 H SER A 64 30.642 -6.666 -44.677 1.00 0.00 H ATOM 951 N LEU A 65 31.651 -5.051 -40.851 1.00 0.00 N ATOM 952 CA LEU A 65 32.084 -5.357 -39.496 1.00 0.00 C ATOM 953 C LEU A 65 31.030 -4.900 -38.461 1.00 0.00 C ATOM 954 O LEU A 65 31.067 -5.302 -37.299 1.00 0.00 O ATOM 955 CB LEU A 65 33.478 -4.700 -39.399 1.00 0.00 C ATOM 956 CG LEU A 65 34.417 -5.054 -38.237 1.00 0.00 C ATOM 957 CD1 LEU A 65 34.332 -3.985 -37.159 1.00 0.00 C ATOM 958 CD2 LEU A 65 34.219 -6.469 -37.692 1.00 0.00 C ATOM 959 HA LEU A 65 32.171 -6.420 -39.269 1.00 0.00 H ATOM 960 HB2 LEU A 65 34.008 -4.949 -40.318 1.00 0.00 H ATOM 961 HB3 LEU A 65 33.316 -3.623 -39.355 1.00 0.00 H ATOM 962 HG LEU A 65 35.433 -5.065 -38.630 1.00 0.00 H ATOM 963 HD21 LEU A 65 33.197 -6.577 -37.328 1.00 0.00 H ATOM 964 HD22 LEU A 65 34.401 -7.192 -38.487 1.00 0.00 H ATOM 965 HD23 LEU A 65 34.918 -6.643 -36.874 1.00 0.00 H ATOM 966 HD11 LEU A 65 34.626 -3.023 -37.579 1.00 0.00 H ATOM 967 HD12 LEU A 65 33.308 -3.924 -36.789 1.00 0.00 H ATOM 968 HD13 LEU A 65 35.001 -4.244 -36.339 1.00 0.00 H ATOM 969 H LEU A 65 32.095 -4.232 -41.313 1.00 0.00 H ATOM 970 N ALA A 66 30.033 -4.127 -38.915 1.00 0.00 N ATOM 971 CA ALA A 66 28.863 -3.732 -38.130 1.00 0.00 C ATOM 972 C ALA A 66 27.665 -4.711 -38.225 1.00 0.00 C ATOM 973 O ALA A 66 26.802 -4.707 -37.344 1.00 0.00 O ATOM 974 CB ALA A 66 28.443 -2.338 -38.606 1.00 0.00 C ATOM 975 HA ALA A 66 29.149 -3.742 -37.078 1.00 0.00 H ATOM 976 HB1 ALA A 66 29.264 -1.639 -38.448 1.00 0.00 H ATOM 977 HB2 ALA A 66 28.197 -2.377 -39.667 1.00 0.00 H ATOM 978 HB3 ALA A 66 27.571 -2.010 -38.041 1.00 0.00 H ATOM 979 H ALA A 66 30.096 -3.784 -39.895 1.00 0.00 H ATOM 980 N THR A 67 27.587 -5.531 -39.285 1.00 0.00 N ATOM 981 CA THR A 67 26.369 -6.294 -39.674 1.00 0.00 C ATOM 982 C THR A 67 26.635 -7.725 -40.171 1.00 0.00 C ATOM 983 O THR A 67 25.691 -8.473 -40.429 1.00 0.00 O ATOM 984 CB THR A 67 25.603 -5.547 -40.779 1.00 0.00 C ATOM 985 OG1 THR A 67 26.473 -5.339 -41.866 1.00 0.00 O ATOM 986 CG2 THR A 67 25.078 -4.181 -40.341 1.00 0.00 C ATOM 987 HA THR A 67 25.788 -6.374 -38.755 1.00 0.00 H ATOM 988 HB THR A 67 24.744 -6.166 -41.038 1.00 0.00 H ATOM 989 HG1 THR A 67 25.992 -4.858 -42.585 1.00 0.00 H ATOM 990 HG23 THR A 67 24.399 -4.307 -39.498 1.00 0.00 H ATOM 991 HG21 THR A 67 25.915 -3.550 -40.043 1.00 0.00 H ATOM 992 HG22 THR A 67 24.546 -3.714 -41.170 1.00 0.00 H ATOM 993 H THR A 67 28.436 -5.641 -39.875 1.00 0.00 H ATOM 994 N ARG A 68 27.914 -8.112 -40.303 1.00 0.00 N ATOM 995 CA ARG A 68 28.454 -9.400 -40.791 1.00 0.00 C ATOM 996 C ARG A 68 27.910 -9.866 -42.153 1.00 0.00 C ATOM 997 O ARG A 68 27.818 -11.062 -42.434 1.00 0.00 O ATOM 998 CB ARG A 68 28.492 -10.469 -39.673 1.00 0.00 C ATOM 999 CG ARG A 68 27.120 -10.923 -39.149 1.00 0.00 C ATOM 1000 CD ARG A 68 27.260 -12.082 -38.156 1.00 0.00 C ATOM 1001 NE ARG A 68 25.939 -12.512 -37.653 1.00 0.00 N ATOM 1002 CZ ARG A 68 25.705 -13.381 -36.684 1.00 0.00 C ATOM 1003 NH1 ARG A 68 26.669 -13.980 -36.041 1.00 0.00 N ATOM 1004 NH2 ARG A 68 24.482 -13.669 -36.338 1.00 0.00 N ATOM 1005 HA ARG A 68 29.498 -9.215 -41.043 1.00 0.00 H ATOM 1006 HB2 ARG A 68 29.010 -11.345 -40.062 1.00 0.00 H ATOM 1007 HB3 ARG A 68 29.054 -10.059 -38.834 1.00 0.00 H ATOM 1008 HG2 ARG A 68 26.635 -10.084 -38.650 1.00 0.00 H ATOM 1009 HG3 ARG A 68 26.508 -11.248 -39.990 1.00 0.00 H ATOM 1010 HD2 ARG A 68 27.874 -11.759 -37.315 1.00 0.00 H ATOM 1011 HD3 ARG A 68 27.743 -12.923 -38.655 1.00 0.00 H ATOM 1012 HE ARG A 68 25.106 -12.087 -38.109 1.00 0.00 H ATOM 1013 HH12 ARG A 68 26.447 -14.658 -35.284 1.00 0.00 H ATOM 1014 HH11 ARG A 68 27.660 -13.780 -36.285 1.00 0.00 H ATOM 1015 HH22 ARG A 68 24.305 -14.353 -35.575 1.00 0.00 H ATOM 1016 HH21 ARG A 68 23.683 -13.215 -36.825 1.00 0.00 H ATOM 1017 H ARG A 68 28.625 -7.407 -40.023 1.00 0.00 H ATOM 1018 N LYS A 69 27.603 -8.892 -43.015 1.00 0.00 N ATOM 1019 CA LYS A 69 27.352 -9.058 -44.455 1.00 0.00 C ATOM 1020 C LYS A 69 28.681 -9.177 -45.203 1.00 0.00 C ATOM 1021 O LYS A 69 29.652 -8.574 -44.763 1.00 0.00 O ATOM 1022 CB LYS A 69 26.642 -7.805 -44.958 1.00 0.00 C ATOM 1023 CG LYS A 69 25.252 -7.591 -44.362 1.00 0.00 C ATOM 1024 CD LYS A 69 24.728 -6.248 -44.875 1.00 0.00 C ATOM 1025 CE LYS A 69 23.393 -5.884 -44.227 1.00 0.00 C ATOM 1026 NZ LYS A 69 22.251 -6.675 -44.768 1.00 0.00 N ATOM 1027 HA LYS A 69 26.752 -9.953 -44.622 1.00 0.00 H ATOM 1028 HB2 LYS A 69 27.257 -6.940 -44.710 1.00 0.00 H ATOM 1029 HB3 LYS A 69 26.542 -7.880 -46.041 1.00 0.00 H ATOM 1030 HG2 LYS A 69 24.585 -8.394 -44.676 1.00 0.00 H ATOM 1031 HG3 LYS A 69 25.313 -7.575 -43.274 1.00 0.00 H ATOM 1032 HD2 LYS A 69 25.457 -5.471 -44.645 1.00 0.00 H ATOM 1033 HD3 LYS A 69 24.593 -6.309 -45.955 1.00 0.00 H ATOM 1034 HE2 LYS A 69 23.198 -4.826 -44.402 1.00 0.00 H ATOM 1035 HE3 LYS A 69 23.465 -6.066 -43.155 1.00 0.00 H ATOM 1036 HZ1 LYS A 69 22.165 -6.503 -45.790 1.00 0.00 H ATOM 1037 HZ2 LYS A 69 22.421 -7.687 -44.599 1.00 0.00 H ATOM 1038 HZ3 LYS A 69 21.373 -6.385 -44.291 1.00 0.00 H ATOM 1039 H LYS A 69 27.535 -7.927 -42.632 1.00 0.00 H ATOM 1040 N GLU A 70 28.738 -9.857 -46.346 1.00 0.00 N ATOM 1041 CA GLU A 70 29.979 -10.086 -47.118 1.00 0.00 C ATOM 1042 C GLU A 70 29.790 -9.880 -48.630 1.00 0.00 C ATOM 1043 O GLU A 70 28.695 -10.054 -49.172 1.00 0.00 O ATOM 1044 CB GLU A 70 30.479 -11.526 -46.928 1.00 0.00 C ATOM 1045 CG GLU A 70 30.729 -11.954 -45.477 1.00 0.00 C ATOM 1046 CD GLU A 70 30.442 -13.456 -45.288 1.00 0.00 C ATOM 1047 OE1 GLU A 70 29.273 -13.831 -45.028 1.00 0.00 O ATOM 1048 OE2 GLU A 70 31.386 -14.276 -45.405 1.00 0.00 O ATOM 1049 HA GLU A 70 30.694 -9.357 -46.738 1.00 0.00 H ATOM 1050 HB2 GLU A 70 29.734 -12.199 -47.353 1.00 0.00 H ATOM 1051 HB3 GLU A 70 31.416 -11.631 -47.475 1.00 0.00 H ATOM 1052 HG2 GLU A 70 31.769 -11.754 -45.220 1.00 0.00 H ATOM 1053 HG3 GLU A 70 30.077 -11.380 -44.818 1.00 0.00 H ATOM 1054 H GLU A 70 27.852 -10.253 -46.721 1.00 0.00 H ATOM 1055 N GLY A 71 30.882 -9.532 -49.317 1.00 0.00 N ATOM 1056 CA GLY A 71 30.921 -9.310 -50.768 1.00 0.00 C ATOM 1057 C GLY A 71 32.226 -8.678 -51.258 1.00 0.00 C ATOM 1058 O GLY A 71 33.033 -8.225 -50.448 1.00 0.00 O ATOM 1059 HA3 GLY A 71 30.096 -8.651 -51.038 1.00 0.00 H ATOM 1060 HA2 GLY A 71 30.795 -10.271 -51.267 1.00 0.00 H ATOM 1061 H GLY A 71 31.768 -9.410 -48.786 1.00 0.00 H ATOM 1062 N TYR A 72 32.438 -8.602 -52.575 1.00 0.00 N ATOM 1063 CA TYR A 72 33.460 -7.694 -53.117 1.00 0.00 C ATOM 1064 C TYR A 72 33.027 -6.237 -52.975 1.00 0.00 C ATOM 1065 O TYR A 72 31.835 -5.931 -52.938 1.00 0.00 O ATOM 1066 CB TYR A 72 33.817 -8.005 -54.569 1.00 0.00 C ATOM 1067 CG TYR A 72 34.388 -9.393 -54.714 1.00 0.00 C ATOM 1068 CD1 TYR A 72 35.724 -9.628 -54.346 1.00 0.00 C ATOM 1069 CD2 TYR A 72 33.566 -10.460 -55.110 1.00 0.00 C ATOM 1070 CE1 TYR A 72 36.241 -10.934 -54.357 1.00 0.00 C ATOM 1071 CE2 TYR A 72 34.083 -11.761 -55.181 1.00 0.00 C ATOM 1072 CZ TYR A 72 35.422 -12.009 -54.790 1.00 0.00 C ATOM 1073 OH TYR A 72 35.907 -13.281 -54.797 1.00 0.00 O ATOM 1074 HA TYR A 72 34.361 -7.855 -52.525 1.00 0.00 H ATOM 1075 HB3 TYR A 72 34.554 -7.281 -54.915 1.00 0.00 H ATOM 1076 HB2 TYR A 72 32.917 -7.926 -55.180 1.00 0.00 H ATOM 1077 HD2 TYR A 72 32.522 -10.276 -55.363 1.00 0.00 H ATOM 1078 HE2 TYR A 72 33.457 -12.579 -55.536 1.00 0.00 H ATOM 1079 HE1 TYR A 72 37.265 -11.121 -54.035 1.00 0.00 H ATOM 1080 HD1 TYR A 72 36.361 -8.794 -54.051 1.00 0.00 H ATOM 1081 HH TYR A 72 36.851 -13.275 -54.499 1.00 0.00 H ATOM 1082 H TYR A 72 31.875 -9.190 -53.222 1.00 0.00 H ATOM 1083 N ILE A 73 33.999 -5.337 -52.887 1.00 0.00 N ATOM 1084 CA ILE A 73 33.775 -3.911 -52.706 1.00 0.00 C ATOM 1085 C ILE A 73 34.836 -3.071 -53.439 1.00 0.00 C ATOM 1086 O ILE A 73 35.957 -3.534 -53.657 1.00 0.00 O ATOM 1087 CB ILE A 73 33.744 -3.540 -51.211 1.00 0.00 C ATOM 1088 CG1 ILE A 73 35.043 -3.921 -50.483 1.00 0.00 C ATOM 1089 CG2 ILE A 73 32.524 -4.120 -50.491 1.00 0.00 C ATOM 1090 CD1 ILE A 73 35.444 -2.783 -49.565 1.00 0.00 C ATOM 1091 HA ILE A 73 32.803 -3.682 -53.143 1.00 0.00 H ATOM 1092 HB ILE A 73 33.659 -2.454 -51.178 1.00 0.00 H ATOM 1093 HG12 ILE A 73 34.882 -4.825 -49.896 1.00 0.00 H ATOM 1094 HG13 ILE A 73 35.833 -4.099 -51.213 1.00 0.00 H ATOM 1095 HD11 ILE A 73 35.603 -1.881 -50.155 1.00 0.00 H ATOM 1096 HD12 ILE A 73 34.651 -2.608 -48.838 1.00 0.00 H ATOM 1097 HD13 ILE A 73 36.365 -3.045 -49.044 1.00 0.00 H ATOM 1098 HG21 ILE A 73 31.615 -3.736 -50.953 1.00 0.00 H ATOM 1099 HG22 ILE A 73 32.541 -5.207 -50.568 1.00 0.00 H ATOM 1100 HG23 ILE A 73 32.551 -3.829 -49.441 1.00 0.00 H ATOM 1101 H ILE A 73 34.981 -5.672 -52.951 1.00 0.00 H ATOM 1102 N PRO A 74 34.505 -1.832 -53.822 1.00 0.00 N ATOM 1103 CA PRO A 74 35.396 -0.929 -54.530 1.00 0.00 C ATOM 1104 C PRO A 74 36.428 -0.278 -53.600 1.00 0.00 C ATOM 1105 O PRO A 74 36.069 0.430 -52.658 1.00 0.00 O ATOM 1106 CB PRO A 74 34.455 0.108 -55.133 1.00 0.00 C ATOM 1107 CG PRO A 74 33.122 0.035 -54.385 1.00 0.00 C ATOM 1108 CD PRO A 74 33.246 -1.188 -53.515 1.00 0.00 C ATOM 1109 HA PRO A 74 35.995 -1.447 -55.279 1.00 0.00 H ATOM 1110 HD3 PRO A 74 33.225 -0.898 -52.464 1.00 0.00 H ATOM 1111 HD2 PRO A 74 32.422 -1.872 -53.718 1.00 0.00 H ATOM 1112 HG3 PRO A 74 32.293 -0.071 -55.084 1.00 0.00 H ATOM 1113 HG2 PRO A 74 32.971 0.927 -53.777 1.00 0.00 H ATOM 1114 HB2 PRO A 74 34.885 1.104 -55.025 1.00 0.00 H ATOM 1115 HB3 PRO A 74 34.298 -0.106 -56.190 1.00 0.00 H ATOM 1116 N SER A 75 37.723 -0.454 -53.879 1.00 0.00 N ATOM 1117 CA SER A 75 38.791 0.160 -53.066 1.00 0.00 C ATOM 1118 C SER A 75 38.823 1.699 -53.130 1.00 0.00 C ATOM 1119 O SER A 75 39.243 2.335 -52.165 1.00 0.00 O ATOM 1120 CB SER A 75 40.165 -0.415 -53.422 1.00 0.00 C ATOM 1121 OG SER A 75 40.511 -0.138 -54.765 1.00 0.00 O ATOM 1122 HA SER A 75 38.548 -0.099 -52.036 1.00 0.00 H ATOM 1123 HB2 SER A 75 40.146 -1.495 -53.277 1.00 0.00 H ATOM 1124 HB3 SER A 75 40.915 0.026 -52.765 1.00 0.00 H ATOM 1125 HG SER A 75 39.837 -0.540 -55.368 1.00 0.00 H ATOM 1126 H SER A 75 37.987 -1.042 -54.695 1.00 0.00 H ATOM 1127 N ASN A 76 38.330 2.325 -54.212 1.00 0.00 N ATOM 1128 CA ASN A 76 38.220 3.793 -54.320 1.00 0.00 C ATOM 1129 C ASN A 76 37.200 4.401 -53.336 1.00 0.00 C ATOM 1130 O ASN A 76 37.277 5.584 -53.007 1.00 0.00 O ATOM 1131 CB ASN A 76 37.921 4.196 -55.781 1.00 0.00 C ATOM 1132 CG ASN A 76 36.489 4.103 -56.241 1.00 0.00 C ATOM 1133 OD1 ASN A 76 35.745 3.264 -55.782 1.00 0.00 O ATOM 1134 ND2 ASN A 76 36.105 4.872 -57.230 1.00 0.00 N ATOM 1135 HA ASN A 76 39.184 4.212 -54.030 1.00 0.00 H ATOM 1136 HB2 ASN A 76 38.240 5.230 -55.908 1.00 0.00 H ATOM 1137 HB3 ASN A 76 38.516 3.551 -56.428 1.00 0.00 H ATOM 1138 HD22 ASN A 76 36.754 5.588 -57.614 1.00 0.00 H ATOM 1139 HD21 ASN A 76 35.151 4.766 -57.631 1.00 0.00 H ATOM 1140 H ASN A 76 38.010 1.746 -55.014 1.00 0.00 H ATOM 1141 N TYR A 77 36.261 3.587 -52.849 1.00 0.00 N ATOM 1142 CA TYR A 77 35.161 3.961 -51.966 1.00 0.00 C ATOM 1143 C TYR A 77 35.483 3.814 -50.496 1.00 0.00 C ATOM 1144 O TYR A 77 34.583 3.852 -49.659 1.00 0.00 O ATOM 1145 CB TYR A 77 33.961 3.082 -52.339 1.00 0.00 C ATOM 1146 CG TYR A 77 32.904 3.817 -53.100 1.00 0.00 C ATOM 1147 CD1 TYR A 77 33.261 4.493 -54.270 1.00 0.00 C ATOM 1148 CD2 TYR A 77 31.574 3.804 -52.669 1.00 0.00 C ATOM 1149 CE1 TYR A 77 32.297 5.121 -55.057 1.00 0.00 C ATOM 1150 CE2 TYR A 77 30.595 4.442 -53.440 1.00 0.00 C ATOM 1151 CZ TYR A 77 30.944 5.104 -54.642 1.00 0.00 C ATOM 1152 OH TYR A 77 29.986 5.723 -55.377 1.00 0.00 O ATOM 1153 HA TYR A 77 34.950 5.021 -52.108 1.00 0.00 H ATOM 1154 HB3 TYR A 77 33.519 2.691 -51.422 1.00 0.00 H ATOM 1155 HB2 TYR A 77 34.316 2.253 -52.952 1.00 0.00 H ATOM 1156 HD2 TYR A 77 31.302 3.302 -51.741 1.00 0.00 H ATOM 1157 HE2 TYR A 77 29.556 4.429 -53.112 1.00 0.00 H ATOM 1158 HE1 TYR A 77 32.582 5.620 -55.983 1.00 0.00 H ATOM 1159 HD1 TYR A 77 34.308 4.530 -54.571 1.00 0.00 H ATOM 1160 HH TYR A 77 30.399 6.131 -56.179 1.00 0.00 H ATOM 1161 H TYR A 77 36.319 2.586 -53.127 1.00 0.00 H ATOM 1162 N VAL A 78 36.746 3.572 -50.173 1.00 0.00 N ATOM 1163 CA VAL A 78 37.073 2.855 -48.948 1.00 0.00 C ATOM 1164 C VAL A 78 38.503 3.096 -48.534 1.00 0.00 C ATOM 1165 O VAL A 78 39.331 3.566 -49.318 1.00 0.00 O ATOM 1166 CB VAL A 78 36.827 1.357 -49.199 1.00 0.00 C ATOM 1167 CG1 VAL A 78 37.991 0.382 -49.213 1.00 0.00 C ATOM 1168 CG2 VAL A 78 35.555 0.828 -48.537 1.00 0.00 C ATOM 1169 HA VAL A 78 36.444 3.214 -48.134 1.00 0.00 H ATOM 1170 HB VAL A 78 36.654 1.384 -50.275 1.00 0.00 H ATOM 1171 HG11 VAL A 78 38.692 0.667 -49.997 1.00 0.00 H ATOM 1172 HG12 VAL A 78 38.495 0.406 -48.247 1.00 0.00 H ATOM 1173 HG13 VAL A 78 37.618 -0.624 -49.405 1.00 0.00 H ATOM 1174 HG21 VAL A 78 35.621 0.972 -47.459 1.00 0.00 H ATOM 1175 HG22 VAL A 78 34.693 1.370 -48.925 1.00 0.00 H ATOM 1176 HG23 VAL A 78 35.447 -0.234 -48.757 1.00 0.00 H ATOM 1177 H VAL A 78 37.510 3.897 -50.800 1.00 0.00 H ATOM 1178 N ALA A 79 38.777 2.787 -47.270 1.00 0.00 N ATOM 1179 CA ALA A 79 40.006 3.258 -46.660 1.00 0.00 C ATOM 1180 C ALA A 79 40.321 2.579 -45.341 1.00 0.00 C ATOM 1181 O ALA A 79 39.457 2.458 -44.480 1.00 0.00 O ATOM 1182 CB ALA A 79 39.805 4.750 -46.420 1.00 0.00 C ATOM 1183 HA ALA A 79 40.844 3.034 -47.319 1.00 0.00 H ATOM 1184 HB1 ALA A 79 39.619 5.248 -47.372 1.00 0.00 H ATOM 1185 HB2 ALA A 79 38.952 4.899 -45.758 1.00 0.00 H ATOM 1186 HB3 ALA A 79 40.701 5.167 -45.959 1.00 0.00 H ATOM 1187 H ALA A 79 38.111 2.208 -46.719 1.00 0.00 H ATOM 1188 N ARG A 80 41.561 2.120 -45.190 1.00 0.00 N ATOM 1189 CA ARG A 80 42.067 1.492 -43.977 1.00 0.00 C ATOM 1190 C ARG A 80 41.895 2.392 -42.755 1.00 0.00 C ATOM 1191 O ARG A 80 42.285 3.555 -42.794 1.00 0.00 O ATOM 1192 CB ARG A 80 43.545 1.197 -44.212 1.00 0.00 C ATOM 1193 CG ARG A 80 43.785 0.127 -45.262 1.00 0.00 C ATOM 1194 CD ARG A 80 45.067 -0.604 -44.912 1.00 0.00 C ATOM 1195 NE ARG A 80 45.415 -1.554 -45.973 1.00 0.00 N ATOM 1196 CZ ARG A 80 46.611 -2.024 -46.283 1.00 0.00 C ATOM 1197 NH1 ARG A 80 47.682 -1.689 -45.619 1.00 0.00 N ATOM 1198 NH2 ARG A 80 46.755 -2.858 -47.268 1.00 0.00 N ATOM 1199 HA ARG A 80 41.506 0.580 -43.771 1.00 0.00 H ATOM 1200 HB2 ARG A 80 44.034 2.116 -44.536 1.00 0.00 H ATOM 1201 HB3 ARG A 80 43.985 0.864 -43.272 1.00 0.00 H ATOM 1202 HG2 ARG A 80 42.951 -0.575 -45.271 1.00 0.00 H ATOM 1203 HG3 ARG A 80 43.880 0.589 -46.245 1.00 0.00 H ATOM 1204 HD2 ARG A 80 44.929 -1.144 -43.976 1.00 0.00 H ATOM 1205 HD3 ARG A 80 45.874 0.119 -44.797 1.00 0.00 H ATOM 1206 HE ARG A 80 44.624 -1.901 -46.553 1.00 0.00 H ATOM 1207 HH12 ARG A 80 48.607 -2.079 -45.892 1.00 0.00 H ATOM 1208 HH11 ARG A 80 47.612 -1.032 -44.816 1.00 0.00 H ATOM 1209 HH22 ARG A 80 47.699 -3.224 -47.506 1.00 0.00 H ATOM 1210 HH21 ARG A 80 45.926 -3.160 -47.819 1.00 0.00 H ATOM 1211 H ARG A 80 42.214 2.216 -45.994 1.00 0.00 H ATOM 1212 N VAL A 81 41.414 1.829 -41.647 1.00 0.00 N ATOM 1213 CA VAL A 81 41.289 2.540 -40.351 1.00 0.00 C ATOM 1214 C VAL A 81 42.637 3.066 -39.845 1.00 0.00 C ATOM 1215 O VAL A 81 42.736 4.140 -39.256 1.00 0.00 O ATOM 1216 CB VAL A 81 40.605 1.634 -39.317 1.00 0.00 C ATOM 1217 CG1 VAL A 81 41.526 0.695 -38.528 1.00 0.00 C ATOM 1218 CG2 VAL A 81 39.757 2.449 -38.337 1.00 0.00 C ATOM 1219 HA VAL A 81 40.662 3.418 -40.508 1.00 0.00 H ATOM 1220 HB VAL A 81 39.979 0.985 -39.929 1.00 0.00 H ATOM 1221 HG11 VAL A 81 42.042 0.029 -39.219 1.00 0.00 H ATOM 1222 HG12 VAL A 81 42.258 1.285 -37.976 1.00 0.00 H ATOM 1223 HG13 VAL A 81 40.931 0.106 -37.830 1.00 0.00 H ATOM 1224 HG21 VAL A 81 40.395 3.158 -37.809 1.00 0.00 H ATOM 1225 HG22 VAL A 81 38.987 2.990 -38.887 1.00 0.00 H ATOM 1226 HG23 VAL A 81 39.287 1.777 -37.619 1.00 0.00 H ATOM 1227 H VAL A 81 41.109 0.836 -41.693 1.00 0.00 H ATOM 1228 N ASP A 82 43.689 2.314 -40.170 1.00 0.00 N ATOM 1229 CA ASP A 82 45.098 2.614 -39.906 1.00 0.00 C ATOM 1230 C ASP A 82 45.666 3.790 -40.719 1.00 0.00 C ATOM 1231 O ASP A 82 46.753 4.293 -40.430 1.00 0.00 O ATOM 1232 CB ASP A 82 45.855 1.330 -40.241 1.00 0.00 C ATOM 1233 CG ASP A 82 47.332 1.362 -39.813 1.00 0.00 C ATOM 1234 OD1 ASP A 82 47.608 1.471 -38.593 1.00 0.00 O ATOM 1235 OD2 ASP A 82 48.220 1.235 -40.690 1.00 0.00 O ATOM 1236 HA ASP A 82 45.207 2.928 -38.868 1.00 0.00 H ATOM 1237 HB2 ASP A 82 45.366 0.498 -39.734 1.00 0.00 H ATOM 1238 HB3 ASP A 82 45.811 1.174 -41.319 1.00 0.00 H ATOM 1239 H ASP A 82 43.488 1.421 -40.663 1.00 0.00 H ATOM 1240 N SER A 83 44.912 4.231 -41.728 1.00 0.00 N ATOM 1241 CA SER A 83 45.334 5.247 -42.715 1.00 0.00 C ATOM 1242 C SER A 83 44.429 6.489 -42.755 1.00 0.00 C ATOM 1243 O SER A 83 44.520 7.308 -43.674 1.00 0.00 O ATOM 1244 CB SER A 83 45.470 4.595 -44.098 1.00 0.00 C ATOM 1245 OG SER A 83 46.188 5.428 -44.993 1.00 0.00 O ATOM 1246 HA SER A 83 46.306 5.623 -42.394 1.00 0.00 H ATOM 1247 HB2 SER A 83 44.475 4.412 -44.504 1.00 0.00 H ATOM 1248 HB3 SER A 83 45.998 3.647 -43.993 1.00 0.00 H ATOM 1249 HG SER A 83 45.710 6.289 -45.096 1.00 0.00 H ATOM 1250 H SER A 83 43.957 3.830 -41.827 1.00 0.00 H ATOM 1251 N LEU A 84 43.558 6.633 -41.757 1.00 0.00 N ATOM 1252 CA LEU A 84 42.699 7.797 -41.553 1.00 0.00 C ATOM 1253 C LEU A 84 43.459 8.989 -40.931 1.00 0.00 C ATOM 1254 O LEU A 84 44.574 8.850 -40.423 1.00 0.00 O ATOM 1255 CB LEU A 84 41.523 7.359 -40.662 1.00 0.00 C ATOM 1256 CG LEU A 84 40.671 6.203 -41.221 1.00 0.00 C ATOM 1257 CD1 LEU A 84 39.492 5.930 -40.286 1.00 0.00 C ATOM 1258 CD2 LEU A 84 40.109 6.476 -42.619 1.00 0.00 C ATOM 1259 HA LEU A 84 42.337 8.152 -42.518 1.00 0.00 H ATOM 1260 HB2 LEU A 84 41.927 7.045 -39.700 1.00 0.00 H ATOM 1261 HB3 LEU A 84 40.870 8.220 -40.517 1.00 0.00 H ATOM 1262 HG LEU A 84 41.340 5.345 -41.291 1.00 0.00 H ATOM 1263 HD21 LEU A 84 39.476 7.363 -42.588 1.00 0.00 H ATOM 1264 HD22 LEU A 84 40.932 6.640 -43.314 1.00 0.00 H ATOM 1265 HD23 LEU A 84 39.521 5.619 -42.946 1.00 0.00 H ATOM 1266 HD11 LEU A 84 39.868 5.658 -39.300 1.00 0.00 H ATOM 1267 HD12 LEU A 84 38.877 6.827 -40.207 1.00 0.00 H ATOM 1268 HD13 LEU A 84 38.894 5.112 -40.687 1.00 0.00 H ATOM 1269 H LEU A 84 43.484 5.856 -41.070 1.00 0.00 H ATOM 1270 N GLU A 85 42.819 10.162 -40.923 1.00 0.00 N ATOM 1271 CA GLU A 85 43.350 11.426 -40.373 1.00 0.00 C ATOM 1272 C GLU A 85 42.621 11.821 -39.065 1.00 0.00 C ATOM 1273 O GLU A 85 42.371 13.001 -38.794 1.00 0.00 O ATOM 1274 CB GLU A 85 43.291 12.530 -41.448 1.00 0.00 C ATOM 1275 CG GLU A 85 44.158 12.213 -42.674 1.00 0.00 C ATOM 1276 CD GLU A 85 44.181 13.402 -43.652 1.00 0.00 C ATOM 1277 OE1 GLU A 85 43.289 13.492 -44.532 1.00 0.00 O ATOM 1278 OE2 GLU A 85 45.096 14.258 -43.555 1.00 0.00 O ATOM 1279 HA GLU A 85 44.397 11.287 -40.102 1.00 0.00 H ATOM 1280 HB2 GLU A 85 42.257 12.645 -41.773 1.00 0.00 H ATOM 1281 HB3 GLU A 85 43.639 13.464 -41.007 1.00 0.00 H ATOM 1282 HG2 GLU A 85 45.176 12.000 -42.347 1.00 0.00 H ATOM 1283 HG3 GLU A 85 43.751 11.339 -43.183 1.00 0.00 H ATOM 1284 H GLU A 85 41.866 10.187 -41.339 1.00 0.00 H ATOM 1285 N THR A 86 42.246 10.810 -38.267 1.00 0.00 N ATOM 1286 CA THR A 86 41.380 10.904 -37.072 1.00 0.00 C ATOM 1287 C THR A 86 41.968 10.146 -35.879 1.00 0.00 C ATOM 1288 O THR A 86 42.116 8.904 -35.976 1.00 0.00 O ATOM 1289 CB THR A 86 39.969 10.373 -37.357 1.00 0.00 C ATOM 1290 OG1 THR A 86 40.076 9.018 -37.719 1.00 0.00 O ATOM 1291 CG2 THR A 86 39.236 11.133 -38.466 1.00 0.00 C ATOM 1292 HA THR A 86 41.321 11.963 -36.821 1.00 0.00 H ATOM 1293 OXT THR A 86 42.272 10.793 -34.851 1.00 0.00 O ATOM 1294 HB THR A 86 39.380 10.511 -36.450 1.00 0.00 H ATOM 1295 HG1 THR A 86 40.488 8.511 -36.975 1.00 0.00 H ATOM 1296 HG23 THR A 86 39.151 12.184 -38.189 1.00 0.00 H ATOM 1297 HG21 THR A 86 39.797 11.045 -39.397 1.00 0.00 H ATOM 1298 HG22 THR A 86 38.241 10.709 -38.599 1.00 0.00 H ATOM 1299 H THR A 86 42.600 9.864 -38.514 1.00 0.00 H TER 1300 THR A 86 HETATM 1301 C ACE A 1 40.348 -9.709 -56.452 1.00 0.18 C HETATM 1302 O ACE A 1 40.697 -10.717 -57.063 1.00 -0.40 O HETATM 1303 CH3 ACE A 1 40.565 -9.612 -54.958 1.00 0.03 C HETATM 1304 H1 ACE A 1 40.191 -8.643 -54.595 1.00 0.05 H HETATM 1305 H2 ACE A 1 41.639 -9.696 -54.737 1.00 0.05 H HETATM 1306 H3 ACE A 1 40.023 -10.426 -54.455 1.00 0.05 H HETATM 1307 N ACE A 1 39.771 -8.657 -57.029 1.00 -0.26 N HETATM 1308 CA ACE A 1 39.281 -8.600 -58.411 1.00 0.14 C HETATM 1309 C ACE A 1 39.530 -7.222 -59.057 1.00 0.21 C HETATM 1310 O ACE A 1 39.824 -6.236 -58.386 1.00 -0.39 O HETATM 1311 N ACE A 1 39.348 -7.137 -60.377 1.00 -0.26 N HETATM 1312 CA ACE A 1 39.360 -5.885 -61.163 1.00 0.15 C HETATM 1313 C ACE A 1 38.254 -5.912 -62.233 1.00 0.21 C HETATM 1314 O ACE A 1 38.440 -5.590 -63.409 1.00 -0.39 O HETATM 1315 N ACE A 1 37.078 -6.380 -61.792 1.00 -0.26 N HETATM 1316 CA ACE A 1 35.844 -6.612 -62.570 1.00 0.13 C HETATM 1317 C ACE A 1 35.349 -5.412 -63.397 1.00 0.20 C HETATM 1318 O ACE A 1 34.719 -5.601 -64.437 1.00 -0.39 O HETATM 1319 N ACE A 1 35.657 -4.200 -62.935 1.00 -0.26 N HETATM 1320 CA ACE A 1 35.288 -2.903 -63.526 1.00 0.14 C HETATM 1321 C ACE A 1 36.375 -1.864 -63.178 1.00 0.21 C HETATM 1322 O ACE A 1 37.004 -2.010 -62.126 1.00 -0.39 O HETATM 1323 N ACE A 1 36.564 -0.791 -63.974 1.00 -0.25 N HETATM 1324 CA ACE A 1 37.571 0.259 -63.750 1.00 0.13 C HETATM 1325 C ACE A 1 37.179 1.256 -62.628 1.00 0.20 C HETATM 1326 O ACE A 1 37.220 2.477 -62.810 1.00 -0.39 O HETATM 1327 N ACE A 1 36.784 0.708 -61.470 1.00 -0.26 N HETATM 1328 CA ACE A 1 36.172 1.335 -60.286 1.00 0.13 C HETATM 1329 C ACE A 1 34.817 2.062 -60.531 1.00 0.21 C HETATM 1330 O ACE A 1 34.522 2.503 -61.647 1.00 -0.39 O HETATM 1331 N ACE A 1 33.964 2.180 -59.490 1.00 -0.25 N HETATM 1332 CA ACE A 1 32.709 2.926 -59.546 1.00 0.13 C HETATM 1333 C ACE A 1 32.921 4.445 -59.645 1.00 0.21 C HETATM 1334 O ACE A 1 33.966 4.949 -59.215 1.00 -0.39 O HETATM 1335 N ACE A 1 31.917 5.197 -60.136 1.00 -0.25 N HETATM 1336 CA ACE A 1 31.958 6.653 -60.164 1.00 0.13 C HETATM 1337 C ACE A 1 31.742 7.210 -58.759 1.00 0.20 C HETATM 1338 O ACE A 1 30.683 7.054 -58.146 1.00 -0.39 O HETATM 1339 N ACE A 1 32.792 7.868 -58.266 1.00 -0.26 N HETATM 1340 CA ACE A 1 32.797 8.578 -56.996 1.00 0.13 C HETATM 1341 C ACE A 1 31.648 9.609 -56.879 1.00 0.21 C HETATM 1342 O ACE A 1 31.143 10.098 -57.900 1.00 -0.39 O HETATM 1343 N ACE A 1 31.230 9.954 -55.644 1.00 -0.25 N HETATM 1344 CA ACE A 1 30.090 10.826 -55.397 1.00 0.13 C HETATM 1345 C ACE A 1 30.371 12.298 -55.750 1.00 0.20 C HETATM 1346 O ACE A 1 31.469 12.687 -56.158 1.00 -0.39 O HETATM 1347 N ACE A 1 29.353 13.136 -55.546 1.00 -0.26 N HETATM 1348 CA ACE A 1 29.410 14.599 -55.733 1.00 0.15 C HETATM 1349 C ACE A 1 30.331 15.334 -54.741 1.00 0.21 C HETATM 1350 O ACE A 1 30.735 16.469 -55.008 1.00 -0.39 O HETATM 1351 N ACE A 1 30.671 14.696 -53.608 1.00 -0.26 N HETATM 1352 CA ACE A 1 31.463 15.241 -52.489 1.00 0.13 C HETATM 1353 C ACE A 1 30.903 16.557 -51.891 1.00 0.20 C HETATM 1354 O ACE A 1 31.621 17.329 -51.253 1.00 -0.39 O HETATM 1355 N ACE A 1 29.618 16.844 -52.074 1.00 -0.30 N HETATM 1356 H104 ACE A 1 29.235 17.688 -51.697 1.00 0.18 H HETATM 1357 H105 ACE A 1 29.034 16.216 -52.589 1.00 0.18 H HETATM 1358 CB ACE A 1 32.958 15.335 -52.881 1.00 -0.01 C HETATM 1359 CG ACE A 1 33.591 14.054 -53.462 1.00 -0.04 C HETATM 1360 CD1 ACE A 1 35.072 14.298 -53.754 1.00 -0.06 C HETATM 1361 H98 ACE A 1 35.520 13.383 -54.168 1.00 0.02 H HETATM 1362 H99 ACE A 1 35.590 14.570 -52.822 1.00 0.02 H HETATM 1363 H100 ACE A 1 35.172 15.117 -54.482 1.00 0.02 H HETATM 1364 CD2 ACE A 1 33.485 12.855 -52.517 1.00 -0.06 C HETATM 1365 H101 ACE A 1 32.426 12.659 -52.291 1.00 0.02 H HETATM 1366 H102 ACE A 1 34.024 13.075 -51.584 1.00 0.02 H HETATM 1367 H103 ACE A 1 33.928 11.970 -52.997 1.00 0.02 H HETATM 1368 H97 ACE A 1 33.072 13.808 -54.400 1.00 0.03 H HETATM 1369 H95 ACE A 1 33.525 15.610 -51.979 1.00 0.03 H HETATM 1370 H96 ACE A 1 33.058 16.130 -53.634 1.00 0.03 H HETATM 1371 H94 ACE A 1 31.401 14.498 -51.680 1.00 0.08 H HETATM 1372 H93 ACE A 1 30.354 13.752 -53.514 1.00 0.19 H HETATM 1373 CB ACE A 1 27.996 15.185 -55.635 1.00 0.08 C HETATM 1374 OG ACE A 1 27.440 14.932 -54.353 1.00 -0.39 O HETATM 1375 H92 ACE A 1 26.566 15.301 -54.310 1.00 0.21 H HETATM 1376 H90 ACE A 1 27.359 14.723 -56.403 1.00 0.06 H HETATM 1377 H91 ACE A 1 28.042 16.271 -55.801 1.00 0.06 H HETATM 1378 H89 ACE A 1 29.797 14.787 -56.745 1.00 0.08 H HETATM 1379 H88 ACE A 1 28.485 12.743 -55.243 1.00 0.19 H HETATM 1380 CB ACE A 1 29.734 10.642 -53.912 1.00 -0.01 C HETATM 1381 CG ACE A 1 30.786 9.709 -53.332 1.00 -0.03 C HETATM 1382 CD ACE A 1 31.866 9.606 -54.386 1.00 0.04 C HETATM 1383 H86 ACE A 1 32.684 10.307 -54.164 1.00 0.05 H HETATM 1384 H87 ACE A 1 32.262 8.581 -54.428 1.00 0.05 H HETATM 1385 H84 ACE A 1 30.351 8.719 -53.130 1.00 0.03 H HETATM 1386 H85 ACE A 1 31.197 10.126 -52.401 1.00 0.03 H HETATM 1387 H82 ACE A 1 28.733 10.196 -53.813 1.00 0.03 H HETATM 1388 H83 ACE A 1 29.757 11.611 -53.392 1.00 0.03 H HETATM 1389 H81 ACE A 1 29.244 10.490 -56.014 1.00 0.08 H HETATM 1390 CB ACE A 1 34.161 9.257 -56.837 1.00 -0.01 C HETATM 1391 CG ACE A 1 35.349 8.364 -56.453 1.00 -0.04 C HETATM 1392 CD1 ACE A 1 36.589 9.224 -56.211 1.00 -0.06 C HETATM 1393 H75 ACE A 1 37.436 8.578 -55.937 1.00 0.02 H HETATM 1394 H76 ACE A 1 36.389 9.934 -55.394 1.00 0.02 H HETATM 1395 H77 ACE A 1 36.834 9.780 -57.128 1.00 0.02 H HETATM 1396 CD2 ACE A 1 35.060 7.603 -55.175 1.00 -0.06 C HETATM 1397 H78 ACE A 1 34.170 6.972 -55.317 1.00 0.02 H HETATM 1398 H79 ACE A 1 34.878 8.316 -54.357 1.00 0.02 H HETATM 1399 H80 ACE A 1 35.922 6.968 -54.923 1.00 0.02 H HETATM 1400 H74 ACE A 1 35.544 7.653 -57.269 1.00 0.03 H HETATM 1401 H72 ACE A 1 34.059 10.026 -56.057 1.00 0.03 H HETATM 1402 H73 ACE A 1 34.405 9.738 -57.796 1.00 0.03 H HETATM 1403 H71 ACE A 1 32.672 7.843 -56.188 1.00 0.08 H HETATM 1404 H70 ACE A 1 33.633 7.874 -58.806 1.00 0.19 H HETATM 1405 CB ACE A 1 30.858 7.057 -61.148 1.00 -0.01 C HETATM 1406 CG ACE A 1 29.804 5.955 -61.000 1.00 -0.03 C HETATM 1407 CD ACE A 1 30.578 4.730 -60.502 1.00 0.04 C HETATM 1408 H68 ACE A 1 30.076 4.295 -59.625 1.00 0.05 H HETATM 1409 H69 ACE A 1 30.645 3.974 -61.299 1.00 0.05 H HETATM 1410 H66 ACE A 1 29.327 5.744 -61.968 1.00 0.03 H HETATM 1411 H67 ACE A 1 29.036 6.250 -60.270 1.00 0.03 H HETATM 1412 H64 ACE A 1 31.247 7.090 -62.176 1.00 0.03 H HETATM 1413 H65 ACE A 1 30.437 8.038 -60.883 1.00 0.03 H HETATM 1414 H63 ACE A 1 32.933 7.001 -60.535 1.00 0.08 H HETATM 1415 CB ACE A 1 31.940 2.582 -58.267 1.00 -0.01 C HETATM 1416 CG ACE A 1 32.922 1.898 -57.341 1.00 -0.03 C HETATM 1417 CD ACE A 1 34.171 1.629 -58.168 1.00 0.04 C HETATM 1418 H61 ACE A 1 35.041 2.109 -57.696 1.00 0.05 H HETATM 1419 H62 ACE A 1 34.344 0.545 -58.239 1.00 0.05 H HETATM 1420 H59 ACE A 1 32.500 0.953 -56.969 1.00 0.03 H HETATM 1421 H60 ACE A 1 33.162 2.552 -56.490 1.00 0.03 H HETATM 1422 H57 ACE A 1 31.103 1.907 -58.498 1.00 0.03 H HETATM 1423 H58 ACE A 1 31.553 3.499 -57.799 1.00 0.03 H HETATM 1424 H56 ACE A 1 32.133 2.598 -60.424 1.00 0.08 H HETATM 1425 CB ACE A 1 37.206 2.234 -59.572 1.00 -0.01 C HETATM 1426 CG ACE A 1 38.279 1.456 -58.785 1.00 -0.04 C HETATM 1427 CD1 ACE A 1 39.506 2.335 -58.545 1.00 -0.06 C HETATM 1428 H50 ACE A 1 40.261 1.765 -57.983 1.00 0.02 H HETATM 1429 H51 ACE A 1 39.213 3.224 -57.968 1.00 0.02 H HETATM 1430 H52 ACE A 1 39.928 2.648 -59.512 1.00 0.02 H HETATM 1431 CD2 ACE A 1 37.737 0.855 -57.485 1.00 -0.06 C HETATM 1432 H53 ACE A 1 36.858 0.233 -57.707 1.00 0.02 H HETATM 1433 H54 ACE A 1 37.449 1.665 -56.799 1.00 0.02 H HETATM 1434 H55 ACE A 1 38.515 0.236 -57.015 1.00 0.02 H HETATM 1435 H49 ACE A 1 38.599 0.614 -59.416 1.00 0.03 H HETATM 1436 H47 ACE A 1 36.669 2.888 -58.869 1.00 0.03 H HETATM 1437 H48 ACE A 1 37.712 2.849 -60.331 1.00 0.03 H HETATM 1438 H46 ACE A 1 35.941 0.512 -59.594 1.00 0.08 H HETATM 1439 H45 ACE A 1 36.927 -0.279 -61.399 1.00 0.19 H HETATM 1440 CB ACE A 1 37.754 0.908 -65.130 1.00 -0.01 C HETATM 1441 CG ACE A 1 36.352 0.822 -65.727 1.00 -0.03 C HETATM 1442 CD ACE A 1 35.866 -0.539 -65.232 1.00 0.04 C HETATM 1443 H43 ACE A 1 34.779 -0.518 -65.067 1.00 0.05 H HETATM 1444 H44 ACE A 1 36.110 -1.321 -65.966 1.00 0.05 H HETATM 1445 H41 ACE A 1 36.385 0.857 -66.826 1.00 0.03 H HETATM 1446 H42 ACE A 1 35.710 1.633 -65.353 1.00 0.03 H HETATM 1447 H39 ACE A 1 38.480 0.349 -65.739 1.00 0.03 H HETATM 1448 H40 ACE A 1 38.082 1.954 -65.037 1.00 0.03 H HETATM 1449 H38 ACE A 1 38.519 -0.211 -63.449 1.00 0.08 H HETATM 1450 CB ACE A 1 33.932 -2.436 -62.953 1.00 0.02 C HETATM 1451 CG ACE A 1 32.700 -2.889 -63.724 1.00 -0.05 C HETATM 1452 CD1 ACE A 1 32.115 -4.146 -63.473 1.00 -0.07 C HETATM 1453 CE1 ACE A 1 30.972 -4.557 -64.187 1.00 -0.04 C HETATM 1454 CZ ACE A 1 30.396 -3.699 -65.149 1.00 0.08 C HETATM 1455 CE2 ACE A 1 30.969 -2.432 -65.388 1.00 -0.04 C HETATM 1456 CD2 ACE A 1 32.118 -2.030 -64.679 1.00 -0.07 C HETATM 1457 H34 ACE A 1 32.556 -1.057 -64.868 1.00 0.05 H HETATM 1458 H36 ACE A 1 30.524 -1.766 -66.119 1.00 0.05 H HETATM 1459 OH ACE A 1 29.289 -4.083 -65.840 1.00 -0.34 O HETATM 1460 H37 ACE A 1 29.031 -4.955 -65.564 1.00 0.25 H HETATM 1461 H35 ACE A 1 30.535 -5.531 -63.998 1.00 0.05 H HETATM 1462 H33 ACE A 1 32.547 -4.801 -62.725 1.00 0.05 H HETATM 1463 H31 ACE A 1 33.934 -1.336 -62.934 1.00 0.05 H HETATM 1464 H32 ACE A 1 33.848 -2.820 -61.926 1.00 0.05 H HETATM 1465 H30 ACE A 1 35.210 -3.005 -64.618 1.00 0.08 H HETATM 1466 H29 ACE A 1 36.198 -4.168 -62.095 1.00 0.19 H HETATM 1467 CB ACE A 1 34.764 -7.113 -61.588 1.00 -0.01 C HETATM 1468 CG ACE A 1 34.405 -6.088 -60.488 1.00 -0.04 C HETATM 1469 CD ACE A 1 33.749 -6.714 -59.252 1.00 -0.01 C HETATM 1470 CE ACE A 1 32.477 -7.491 -59.604 1.00 -0.04 C HETATM 1471 NZ ACE A 1 31.713 -7.805 -58.381 1.00 0.22 N HETATM 1472 H26 ACE A 1 30.880 -8.316 -58.627 1.00 0.20 H HETATM 1473 H27 ACE A 1 31.457 -6.948 -57.916 1.00 0.20 H HETATM 1474 H28 ACE A 1 32.281 -8.365 -57.765 1.00 0.20 H HETATM 1475 H24 ACE A 1 32.753 -8.428 -60.110 1.00 0.08 H HETATM 1476 H25 ACE A 1 31.854 -6.882 -60.275 1.00 0.08 H HETATM 1477 H22 ACE A 1 33.490 -5.913 -58.544 1.00 0.03 H HETATM 1478 H23 ACE A 1 34.466 -7.402 -58.781 1.00 0.03 H HETATM 1479 H20 ACE A 1 33.709 -5.351 -60.914 1.00 0.03 H HETATM 1480 H21 ACE A 1 35.328 -5.581 -60.172 1.00 0.03 H HETATM 1481 H18 ACE A 1 35.133 -8.029 -61.103 1.00 0.03 H HETATM 1482 H19 ACE A 1 33.853 -7.342 -62.160 1.00 0.03 H HETATM 1483 H17 ACE A 1 36.055 -7.420 -63.286 1.00 0.08 H HETATM 1484 H16 ACE A 1 37.030 -6.599 -60.817 1.00 0.19 H HETATM 1485 CB ACE A 1 40.755 -5.632 -61.727 1.00 0.08 C HETATM 1486 OG ACE A 1 40.924 -4.265 -62.059 1.00 -0.39 O HETATM 1487 H15 ACE A 1 40.280 -4.017 -62.712 1.00 0.21 H HETATM 1488 H13 ACE A 1 40.894 -6.242 -62.631 1.00 0.06 H HETATM 1489 H14 ACE A 1 41.505 -5.915 -60.974 1.00 0.06 H HETATM 1490 H12 ACE A 1 39.130 -5.055 -60.479 1.00 0.08 H HETATM 1491 H11 ACE A 1 39.191 -7.990 -60.875 1.00 0.19 H HETATM 1492 CB ACE A 1 37.767 -8.930 -58.396 1.00 0.04 C HETATM 1493 CG ACE A 1 37.399 -10.395 -58.315 1.00 0.06 C HETATM 1494 ND1 ACE A 1 38.233 -11.482 -58.460 1.00 -0.26 N HETATM 1495 CE1 ACE A 1 37.490 -12.600 -58.436 1.00 0.09 C HETATM 1496 NE2 ACE A 1 36.191 -12.290 -58.286 1.00 -0.34 N HETATM 1497 CD2 ACE A 1 36.128 -10.892 -58.200 1.00 -0.03 C HETATM 1498 H9 ACE A 1 35.223 -10.302 -58.065 1.00 0.03 H HETATM 1499 H10 ACE A 1 37.883 -13.612 -58.525 1.00 0.11 H HETATM 1500 H8 ACE A 1 39.257 -11.443 -58.569 1.00 0.24 H HETATM 1501 H6 ACE A 1 37.327 -8.525 -59.319 1.00 0.05 H HETATM 1502 H7 ACE A 1 37.323 -8.425 -57.526 1.00 0.05 H HETATM 1503 H5 ACE A 1 39.809 -9.360 -59.006 1.00 0.08 H HETATM 1504 H4 ACE A 1 39.662 -7.834 -56.472 1.00 0.19 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 1301 1302 1303 1307 CONECT 1302 1301 CONECT 1303 1301 1304 1305 1306 CONECT 1304 1303 CONECT 1305 1303 CONECT 1306 1303 CONECT 1307 1301 1308 1504 CONECT 1308 1307 1309 1492 1503 CONECT 1309 1308 1310 1311 CONECT 1310 1309 CONECT 1311 1309 1312 1491 CONECT 1312 1311 1313 1485 1490 CONECT 1313 1312 1314 1315 CONECT 1314 1313 CONECT 1315 1313 1316 1484 CONECT 1316 1315 1317 1467 1483 CONECT 1317 1316 1318 1319 CONECT 1318 1317 CONECT 1319 1317 1320 1466 CONECT 1320 1319 1321 1450 1465 CONECT 1321 1320 1322 1323 CONECT 1322 1321 CONECT 1323 1321 1324 1442 CONECT 1324 1323 1325 1440 1449 CONECT 1325 1324 1326 1327 CONECT 1326 1325 CONECT 1327 1325 1328 1439 CONECT 1328 1327 1329 1425 1438 CONECT 1329 1328 1330 1331 CONECT 1330 1329 CONECT 1331 1329 1332 1417 CONECT 1332 1331 1333 1415 1424 CONECT 1333 1332 1334 1335 CONECT 1334 1333 CONECT 1335 1333 1336 1407 CONECT 1336 1335 1337 1405 1414 CONECT 1337 1336 1338 1339 CONECT 1338 1337 CONECT 1339 1337 1340 1404 CONECT 1340 1339 1341 1390 1403 CONECT 1341 1340 1342 1343 CONECT 1342 1341 CONECT 1343 1341 1344 1382 CONECT 1344 1343 1345 1380 1389 CONECT 1345 1344 1346 1347 CONECT 1346 1345 CONECT 1347 1345 1348 1379 CONECT 1348 1347 1349 1373 1378 CONECT 1349 1348 1350 1351 CONECT 1350 1349 CONECT 1351 1349 1352 1372 CONECT 1352 1351 1353 1358 1371 CONECT 1353 1352 1354 1355 CONECT 1354 1353 CONECT 1355 1353 1356 1357 CONECT 1356 1355 CONECT 1357 1355 CONECT 1358 1352 1359 1369 1370 CONECT 1359 1358 1360 1364 1368 CONECT 1360 1359 1361 1362 1363 CONECT 1361 1360 CONECT 1362 1360 CONECT 1363 1360 CONECT 1364 1359 1365 1366 1367 CONECT 1365 1364 CONECT 1366 1364 CONECT 1367 1364 CONECT 1368 1359 CONECT 1369 1358 CONECT 1370 1358 CONECT 1371 1352 CONECT 1372 1351 CONECT 1373 1348 1374 1376 1377 CONECT 1374 1373 1375 CONECT 1375 1374 CONECT 1376 1373 CONECT 1377 1373 CONECT 1378 1348 CONECT 1379 1347 CONECT 1380 1344 1381 1387 1388 CONECT 1381 1380 1382 1385 1386 CONECT 1382 1343 1381 1383 1384 CONECT 1383 1382 CONECT 1384 1382 CONECT 1385 1381 CONECT 1386 1381 CONECT 1387 1380 CONECT 1388 1380 CONECT 1389 1344 CONECT 1390 1340 1391 1401 1402 CONECT 1391 1390 1392 1396 1400 CONECT 1392 1391 1393 1394 1395 CONECT 1393 1392 CONECT 1394 1392 CONECT 1395 1392 CONECT 1396 1391 1397 1398 1399 CONECT 1397 1396 CONECT 1398 1396 CONECT 1399 1396 CONECT 1400 1391 CONECT 1401 1390 CONECT 1402 1390 CONECT 1403 1340 CONECT 1404 1339 CONECT 1405 1336 1406 1412 1413 CONECT 1406 1405 1407 1410 1411 CONECT 1407 1335 1406 1408 1409 CONECT 1408 1407 CONECT 1409 1407 CONECT 1410 1406 CONECT 1411 1406 CONECT 1412 1405 CONECT 1413 1405 CONECT 1414 1336 CONECT 1415 1332 1416 1422 1423 CONECT 1416 1415 1417 1420 1421 CONECT 1417 1331 1416 1418 1419 CONECT 1418 1417 CONECT 1419 1417 CONECT 1420 1416 CONECT 1421 1416 CONECT 1422 1415 CONECT 1423 1415 CONECT 1424 1332 CONECT 1425 1328 1426 1436 1437 CONECT 1426 1425 1427 1431 1435 CONECT 1427 1426 1428 1429 1430 CONECT 1428 1427 CONECT 1429 1427 CONECT 1430 1427 CONECT 1431 1426 1432 1433 1434 CONECT 1432 1431 CONECT 1433 1431 CONECT 1434 1431 CONECT 1435 1426 CONECT 1436 1425 CONECT 1437 1425 CONECT 1438 1328 CONECT 1439 1327 CONECT 1440 1324 1441 1447 1448 CONECT 1441 1440 1442 1445 1446 CONECT 1442 1323 1441 1443 1444 CONECT 1443 1442 CONECT 1444 1442 CONECT 1445 1441 CONECT 1446 1441 CONECT 1447 1440 CONECT 1448 1440 CONECT 1449 1324 CONECT 1450 1320 1451 1463 1464 CONECT 1451 1450 1452 1456 CONECT 1452 1451 1453 1462 CONECT 1453 1452 1454 1461 CONECT 1454 1453 1455 1459 CONECT 1455 1454 1456 1458 CONECT 1456 1451 1455 1457 CONECT 1457 1456 CONECT 1458 1455 CONECT 1459 1454 1460 CONECT 1460 1459 CONECT 1461 1453 CONECT 1462 1452 CONECT 1463 1450 CONECT 1464 1450 CONECT 1465 1320 CONECT 1466 1319 CONECT 1467 1316 1468 1481 1482 CONECT 1468 1467 1469 1479 1480 CONECT 1469 1468 1470 1477 1478 CONECT 1470 1469 1471 1475 1476 CONECT 1471 1470 1472 1473 1474 CONECT 1472 1471 CONECT 1473 1471 CONECT 1474 1471 CONECT 1475 1470 CONECT 1476 1470 CONECT 1477 1469 CONECT 1478 1469 CONECT 1479 1468 CONECT 1480 1468 CONECT 1481 1467 CONECT 1482 1467 CONECT 1483 1316 CONECT 1484 1315 CONECT 1485 1312 1486 1488 1489 CONECT 1486 1485 1487 CONECT 1487 1486 CONECT 1488 1485 CONECT 1489 1485 CONECT 1490 1312 CONECT 1491 1311 CONECT 1492 1308 1493 1501 1502 CONECT 1493 1492 1494 1497 CONECT 1494 1493 1495 1500 CONECT 1495 1494 1496 1499 CONECT 1496 1495 1497 CONECT 1497 1493 1496 1498 CONECT 1498 1497 CONECT 1499 1495 CONECT 1500 1494 CONECT 1501 1492 CONECT 1502 1492 CONECT 1503 1308 CONECT 1504 1307 MASTER 0 0 0 0 0 0 0 0 1503 1 208 7 END
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Entry Information
PDB ID
2oi3
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Tyrosine-protein kinase HCK
Ligand Name
14-mer
EC.Number
E.C.2.7.10.2
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=0.23uM
Release Year
2007
Protein/NA Sequence
Check fasta file
Primary Reference
(2007) J.Mol.Biol. Vol. 365: pp. 1517-1532
Ligand Properties
Formula
C
6
7
H
1
0
5
N
1
6
O
1
6
Molecular Weight
1390.650
Exact Mass
1389.790
No. of atoms
204
No. of bonds
209
Polar Surface Area
474.14
LOGP Value
-0.06 (
Computed with XLOGP3
)
0.36 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 14
No. of Hydrogen Bond Acceptors: 17
No. of Rotatable Bonds: 51
No. of Nitrogen and Oxygen Atoms: 32
No. of Rings: 6
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(C)C)CO)CC(C)C)CC(C)C)Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1[nH]cnc1)NC(=O)C)CO
InChI String
InChI=1S/C67H104N16O16/c1-37(2)28-45(56(69)88)74-60(92)51(35-85)79-63(95)53-16-11-24-80(53)64(96)47(29-38(3)4)76-62(94)54-17-12-26-82(54)67(99)55-18-13-27-83(55)65(97)48(30-39(5)6)77-61(93)52-15-10-25-81(52)66(98)49(31-41-19-21-43(87)22-20-41)75-57(89)44(14-8-9-23-68)73-59(91)50(34-84)78-58(90)46(72-40(7)86)32-42-33-70-36-71-42/h19-22,33,36-39,44-55,84-85,87H,8-18,23-32,34-35,68H2,1-7H3,(H2,69,88)(H,70,71)(H,72,86)(H,73,91)(H,74,92)(H,75,89)(H,76,94)(H,77,93)(H,78,90)(H,79,95)/p+1/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-/m0/s1
Links to External Databases
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P08631
Entrez Gene ID
NCBI Entrez Gene ID:
3055
ASD
Information of known allosteric effects of PDB entries
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