Browse entries in the PDBbind-CN Database
HEADER 2L8J_COMPLEX COMPND 2L8J_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 119 GLY SER PRO GLU PHE LYS PHE GLN TYR LYS GLU ASP HIS SEQRES 2 A 119 PRO PHE GLU TYR ARG LYS LYS GLU GLY GLU LYS ILE ARG SEQRES 3 A 119 LYS LYS TYR PRO ASP ARG VAL PRO VAL ILE VAL GLU LYS SEQRES 4 A 119 ALA PRO LYS ALA ARG VAL PRO ASP LEU ASP LYS ARG LYS SEQRES 5 A 119 TYR LEU VAL PRO SER ASP LEU THR VAL GLY GLN PHE TYR SEQRES 6 A 119 PHE LEU ILE ARG LYS ARG ILE HIS LEU ARG PRO GLU ASP SEQRES 7 A 119 ALA LEU PHE PHE PHE VAL ASN ASN THR ILE PRO PRO THR SEQRES 8 A 119 SER ALA THR MET GLY GLN LEU TYR GLU ASP ASN HIS GLU SEQRES 9 A 119 GLU ASP TYR PHE LEU TYR VAL ALA TYR SER ASP GLU SER SEQRES 10 A 119 VAL TYR HET GLY A 120 251 ATOM 1 N GLY A -3 -13.434 6.382 -13.704 1.00 0.00 N ATOM 2 CA GLY A -3 -12.919 7.559 -12.993 1.00 0.00 C ATOM 3 C GLY A -3 -11.706 8.128 -13.713 1.00 0.00 C ATOM 4 O GLY A -3 -11.610 8.011 -14.936 1.00 0.00 O ATOM 5 HA3 GLY A -3 -12.633 7.271 -11.981 1.00 0.00 H ATOM 6 HA2 GLY A -3 -13.698 8.320 -12.946 1.00 0.00 H ATOM 7 HN3 GLY A -3 -12.693 5.653 -13.747 1.00 0.00 H ATOM 8 HN2 GLY A -3 -13.710 6.655 -14.669 1.00 0.00 H ATOM 9 HN1 GLY A -3 -14.262 6.007 -13.198 1.00 0.00 H ATOM 10 N SER A -2 -10.756 8.726 -12.986 1.00 0.00 N ATOM 11 CA SER A -2 -9.543 9.302 -13.556 1.00 0.00 C ATOM 12 C SER A -2 -8.348 9.072 -12.614 1.00 0.00 C ATOM 13 O SER A -2 -8.544 8.956 -11.398 1.00 0.00 O ATOM 14 CB SER A -2 -9.797 10.789 -13.847 1.00 0.00 C ATOM 15 OG SER A -2 -10.141 11.517 -12.682 1.00 0.00 O ATOM 16 HA SER A -2 -9.288 8.813 -14.496 1.00 0.00 H ATOM 17 HB2 SER A -2 -10.613 10.871 -14.565 1.00 0.00 H ATOM 18 HB3 SER A -2 -8.893 11.221 -14.276 1.00 0.00 H ATOM 19 HG SER A -2 -10.294 12.466 -12.920 1.00 0.00 H ATOM 20 H SER A -2 -10.890 8.784 -11.956 1.00 0.00 H ATOM 21 N PRO A -1 -7.106 8.978 -13.126 1.00 0.00 N ATOM 22 CA PRO A -1 -5.927 8.779 -12.295 1.00 0.00 C ATOM 23 C PRO A -1 -5.587 10.097 -11.592 1.00 0.00 C ATOM 24 O PRO A -1 -5.779 11.175 -12.158 1.00 0.00 O ATOM 25 CB PRO A -1 -4.821 8.361 -13.270 1.00 0.00 C ATOM 26 CG PRO A -1 -5.204 9.072 -14.568 1.00 0.00 C ATOM 27 CD PRO A -1 -6.729 9.081 -14.528 1.00 0.00 C ATOM 28 HA PRO A -1 -6.066 8.027 -11.518 1.00 0.00 H ATOM 29 HD3 PRO A -1 -7.112 10.008 -14.954 1.00 0.00 H ATOM 30 HD2 PRO A -1 -7.126 8.234 -15.088 1.00 0.00 H ATOM 31 HG3 PRO A -1 -4.839 8.523 -15.436 1.00 0.00 H ATOM 32 HG2 PRO A -1 -4.808 10.087 -14.589 1.00 0.00 H ATOM 33 HB2 PRO A -1 -3.844 8.692 -12.917 1.00 0.00 H ATOM 34 HB3 PRO A -1 -4.809 7.280 -13.406 1.00 0.00 H ATOM 35 N GLU A 0 -5.036 10.043 -10.382 1.00 0.00 N ATOM 36 CA GLU A 0 -4.651 11.212 -9.591 1.00 0.00 C ATOM 37 C GLU A 0 -3.403 10.864 -8.779 1.00 0.00 C ATOM 38 O GLU A 0 -3.205 9.695 -8.428 1.00 0.00 O ATOM 39 CB GLU A 0 -5.802 11.602 -8.652 1.00 0.00 C ATOM 40 CG GLU A 0 -6.794 12.594 -9.271 1.00 0.00 C ATOM 41 CD GLU A 0 -6.225 14.007 -9.416 1.00 0.00 C ATOM 42 OE1 GLU A 0 -5.584 14.508 -8.469 1.00 0.00 O ATOM 43 OE2 GLU A 0 -6.458 14.635 -10.479 1.00 0.00 O ATOM 44 HA GLU A 0 -4.437 12.055 -10.248 1.00 0.00 H ATOM 45 HB2 GLU A 0 -6.345 10.697 -8.379 1.00 0.00 H ATOM 46 HB3 GLU A 0 -5.377 12.054 -7.756 1.00 0.00 H ATOM 47 HG2 GLU A 0 -7.076 12.231 -10.259 1.00 0.00 H ATOM 48 HG3 GLU A 0 -7.679 12.640 -8.636 1.00 0.00 H ATOM 49 H GLU A 0 -4.867 9.103 -9.969 1.00 0.00 H ATOM 50 N PHE A 1 -2.604 11.871 -8.422 1.00 0.00 N ATOM 51 CA PHE A 1 -1.365 11.729 -7.664 1.00 0.00 C ATOM 52 C PHE A 1 -1.382 12.725 -6.500 1.00 0.00 C ATOM 53 O PHE A 1 -0.802 13.809 -6.594 1.00 0.00 O ATOM 54 CB PHE A 1 -0.156 11.979 -8.588 1.00 0.00 C ATOM 55 CG PHE A 1 0.051 11.026 -9.758 1.00 0.00 C ATOM 56 CD1 PHE A 1 -0.837 11.012 -10.854 1.00 0.00 C ATOM 57 CD2 PHE A 1 1.206 10.224 -9.804 1.00 0.00 C ATOM 58 CE1 PHE A 1 -0.595 10.176 -11.958 1.00 0.00 C ATOM 59 CE2 PHE A 1 1.471 9.426 -10.930 1.00 0.00 C ATOM 60 CZ PHE A 1 0.565 9.387 -12.002 1.00 0.00 C ATOM 61 HA PHE A 1 -1.280 10.718 -7.265 1.00 0.00 H ATOM 62 HB2 PHE A 1 -0.263 12.982 -9.000 1.00 0.00 H ATOM 63 HB3 PHE A 1 0.741 11.935 -7.970 1.00 0.00 H ATOM 64 HD2 PHE A 1 1.899 10.222 -8.962 1.00 0.00 H ATOM 65 HE2 PHE A 1 2.385 8.834 -10.971 1.00 0.00 H ATOM 66 HZ PHE A 1 0.761 8.748 -12.863 1.00 0.00 H ATOM 67 HE1 PHE A 1 -1.309 10.140 -12.781 1.00 0.00 H ATOM 68 HD1 PHE A 1 -1.718 11.654 -10.845 1.00 0.00 H ATOM 69 H PHE A 1 -2.886 12.831 -8.706 1.00 0.00 H ATOM 70 N LYS A 2 -2.056 12.384 -5.400 1.00 0.00 N ATOM 71 CA LYS A 2 -2.162 13.222 -4.210 1.00 0.00 C ATOM 72 C LYS A 2 -2.052 12.333 -2.974 1.00 0.00 C ATOM 73 O LYS A 2 -2.336 11.139 -3.065 1.00 0.00 O ATOM 74 CB LYS A 2 -3.498 13.980 -4.275 1.00 0.00 C ATOM 75 CG LYS A 2 -3.650 15.029 -3.167 1.00 0.00 C ATOM 76 CD LYS A 2 -4.939 15.856 -3.304 1.00 0.00 C ATOM 77 CE LYS A 2 -4.990 16.808 -4.503 1.00 0.00 C ATOM 78 NZ LYS A 2 -3.846 17.736 -4.527 1.00 0.00 N ATOM 79 HA LYS A 2 -1.359 13.957 -4.157 1.00 0.00 H ATOM 80 HB2 LYS A 2 -3.565 14.482 -5.240 1.00 0.00 H ATOM 81 HB3 LYS A 2 -4.311 13.259 -4.184 1.00 0.00 H ATOM 82 HG2 LYS A 2 -3.663 14.519 -2.204 1.00 0.00 H ATOM 83 HG3 LYS A 2 -2.796 15.705 -3.207 1.00 0.00 H ATOM 84 HD2 LYS A 2 -5.775 15.162 -3.390 1.00 0.00 H ATOM 85 HD3 LYS A 2 -5.054 16.451 -2.398 1.00 0.00 H ATOM 86 HE2 LYS A 2 -5.912 17.388 -4.452 1.00 0.00 H ATOM 87 HE3 LYS A 2 -4.983 16.219 -5.420 1.00 0.00 H ATOM 88 HZ1 LYS A 2 -3.848 18.309 -3.659 1.00 0.00 H ATOM 89 HZ2 LYS A 2 -2.961 17.192 -4.583 1.00 0.00 H ATOM 90 HZ3 LYS A 2 -3.924 18.360 -5.356 1.00 0.00 H ATOM 91 H LYS A 2 -2.537 11.462 -5.390 1.00 0.00 H ATOM 92 N PHE A 3 -1.640 12.921 -1.854 1.00 0.00 N ATOM 93 CA PHE A 3 -1.477 12.274 -0.558 1.00 0.00 C ATOM 94 C PHE A 3 -2.796 11.720 -0.014 1.00 0.00 C ATOM 95 O PHE A 3 -3.874 12.069 -0.504 1.00 0.00 O ATOM 96 CB PHE A 3 -0.916 13.332 0.407 1.00 0.00 C ATOM 97 CG PHE A 3 0.533 13.683 0.153 1.00 0.00 C ATOM 98 CD1 PHE A 3 1.510 12.705 0.390 1.00 0.00 C ATOM 99 CD2 PHE A 3 0.920 14.956 -0.303 1.00 0.00 C ATOM 100 CE1 PHE A 3 2.867 12.966 0.164 1.00 0.00 C ATOM 101 CE2 PHE A 3 2.284 15.231 -0.518 1.00 0.00 C ATOM 102 CZ PHE A 3 3.255 14.241 -0.285 1.00 0.00 C ATOM 103 HA PHE A 3 -0.804 11.423 -0.662 1.00 0.00 H ATOM 104 HB2 PHE A 3 -1.512 14.239 0.307 1.00 0.00 H ATOM 105 HB3 PHE A 3 -1.004 12.951 1.424 1.00 0.00 H ATOM 106 HD2 PHE A 3 0.169 15.724 -0.489 1.00 0.00 H ATOM 107 HE2 PHE A 3 2.589 16.217 -0.867 1.00 0.00 H ATOM 108 HZ PHE A 3 4.309 14.462 -0.453 1.00 0.00 H ATOM 109 HE1 PHE A 3 3.614 12.190 0.334 1.00 0.00 H ATOM 110 HD1 PHE A 3 1.207 11.724 0.757 1.00 0.00 H ATOM 111 H PHE A 3 -1.414 13.935 -1.908 1.00 0.00 H ATOM 112 N GLN A 4 -2.705 10.903 1.045 1.00 0.00 N ATOM 113 CA GLN A 4 -3.828 10.269 1.734 1.00 0.00 C ATOM 114 C GLN A 4 -4.814 11.316 2.228 1.00 0.00 C ATOM 115 O GLN A 4 -6.003 11.013 2.280 1.00 0.00 O ATOM 116 CB GLN A 4 -3.320 9.437 2.927 1.00 0.00 C ATOM 117 CG GLN A 4 -4.427 8.685 3.696 1.00 0.00 C ATOM 118 CD GLN A 4 -3.874 8.045 4.965 1.00 0.00 C ATOM 119 OE1 GLN A 4 -2.987 7.199 4.900 1.00 0.00 O ATOM 120 NE2 GLN A 4 -4.336 8.450 6.141 1.00 0.00 N ATOM 121 HA GLN A 4 -4.335 9.613 1.026 1.00 0.00 H ATOM 122 HB2 GLN A 4 -2.606 8.704 2.552 1.00 0.00 H ATOM 123 HB3 GLN A 4 -2.817 10.109 3.623 1.00 0.00 H ATOM 124 HG2 GLN A 4 -5.215 9.388 3.966 1.00 0.00 H ATOM 125 HG3 GLN A 4 -4.841 7.906 3.055 1.00 0.00 H ATOM 126 HE22 GLN A 4 -5.088 9.167 6.185 1.00 0.00 H ATOM 127 HE21 GLN A 4 -3.946 8.050 7.018 1.00 0.00 H ATOM 128 H GLN A 4 -1.751 10.702 1.409 1.00 0.00 H ATOM 129 N TYR A 5 -4.370 12.544 2.524 1.00 0.00 N ATOM 130 CA TYR A 5 -5.220 13.624 3.017 1.00 0.00 C ATOM 131 C TYR A 5 -6.474 13.804 2.150 1.00 0.00 C ATOM 132 O TYR A 5 -7.505 14.249 2.662 1.00 0.00 O ATOM 133 CB TYR A 5 -4.405 14.913 3.215 1.00 0.00 C ATOM 134 CG TYR A 5 -4.588 15.518 4.595 1.00 0.00 C ATOM 135 CD1 TYR A 5 -4.238 14.774 5.738 1.00 0.00 C ATOM 136 CD2 TYR A 5 -5.090 16.824 4.740 1.00 0.00 C ATOM 137 CE1 TYR A 5 -4.428 15.311 7.024 1.00 0.00 C ATOM 138 CE2 TYR A 5 -5.281 17.370 6.023 1.00 0.00 C ATOM 139 CZ TYR A 5 -4.973 16.607 7.171 1.00 0.00 C ATOM 140 OH TYR A 5 -5.246 17.109 8.404 1.00 0.00 O ATOM 141 HA TYR A 5 -5.596 13.349 4.002 1.00 0.00 H ATOM 142 HB3 TYR A 5 -4.721 15.643 2.470 1.00 0.00 H ATOM 143 HB2 TYR A 5 -3.349 14.683 3.072 1.00 0.00 H ATOM 144 HD2 TYR A 5 -5.332 17.415 3.856 1.00 0.00 H ATOM 145 HE2 TYR A 5 -5.667 18.384 6.131 1.00 0.00 H ATOM 146 HE1 TYR A 5 -4.156 14.729 7.905 1.00 0.00 H ATOM 147 HD1 TYR A 5 -3.817 13.775 5.625 1.00 0.00 H ATOM 148 HH TYR A 5 -4.971 16.454 9.094 1.00 0.00 H ATOM 149 H TYR A 5 -3.357 12.741 2.395 1.00 0.00 H ATOM 150 N LYS A 6 -6.417 13.452 0.855 1.00 0.00 N ATOM 151 CA LYS A 6 -7.549 13.549 -0.052 1.00 0.00 C ATOM 152 C LYS A 6 -8.648 12.598 0.440 1.00 0.00 C ATOM 153 O LYS A 6 -9.741 13.075 0.723 1.00 0.00 O ATOM 154 CB LYS A 6 -7.062 13.208 -1.472 1.00 0.00 C ATOM 155 CG LYS A 6 -7.949 13.735 -2.605 1.00 0.00 C ATOM 156 CD LYS A 6 -9.296 13.026 -2.762 1.00 0.00 C ATOM 157 CE LYS A 6 -10.040 13.516 -4.010 1.00 0.00 C ATOM 158 NZ LYS A 6 -10.536 14.898 -3.860 1.00 0.00 N ATOM 159 HA LYS A 6 -7.969 14.555 -0.077 1.00 0.00 H ATOM 160 HB2 LYS A 6 -6.065 13.630 -1.598 1.00 0.00 H ATOM 161 HB3 LYS A 6 -7.009 12.123 -1.560 1.00 0.00 H ATOM 162 HG2 LYS A 6 -8.143 14.791 -2.418 1.00 0.00 H ATOM 163 HG3 LYS A 6 -7.400 13.628 -3.541 1.00 0.00 H ATOM 164 HD2 LYS A 6 -9.125 11.953 -2.848 1.00 0.00 H ATOM 165 HD3 LYS A 6 -9.908 13.226 -1.882 1.00 0.00 H ATOM 166 HE2 LYS A 6 -10.888 12.857 -4.194 1.00 0.00 H ATOM 167 HE3 LYS A 6 -9.360 13.478 -4.861 1.00 0.00 H ATOM 168 HZ1 LYS A 6 -11.192 14.944 -3.054 1.00 0.00 H ATOM 169 HZ2 LYS A 6 -9.733 15.537 -3.692 1.00 0.00 H ATOM 170 HZ3 LYS A 6 -11.031 15.183 -4.729 1.00 0.00 H ATOM 171 H LYS A 6 -5.516 13.091 0.482 1.00 0.00 H ATOM 172 N GLU A 7 -8.358 11.303 0.587 1.00 0.00 N ATOM 173 CA GLU A 7 -9.273 10.250 1.046 1.00 0.00 C ATOM 174 C GLU A 7 -9.405 10.194 2.580 1.00 0.00 C ATOM 175 O GLU A 7 -10.202 9.426 3.119 1.00 0.00 O ATOM 176 CB GLU A 7 -8.913 8.881 0.447 1.00 0.00 C ATOM 177 CG GLU A 7 -7.522 8.326 0.809 1.00 0.00 C ATOM 178 CD GLU A 7 -6.482 8.622 -0.276 1.00 0.00 C ATOM 179 OE1 GLU A 7 -6.337 9.789 -0.699 1.00 0.00 O ATOM 180 OE2 GLU A 7 -5.840 7.665 -0.776 1.00 0.00 O ATOM 181 HA GLU A 7 -10.260 10.519 0.671 1.00 0.00 H ATOM 182 HB2 GLU A 7 -9.658 8.162 0.788 1.00 0.00 H ATOM 183 HB3 GLU A 7 -8.965 8.968 -0.638 1.00 0.00 H ATOM 184 HG2 GLU A 7 -7.194 8.781 1.744 1.00 0.00 H ATOM 185 HG3 GLU A 7 -7.597 7.246 0.939 1.00 0.00 H ATOM 186 H GLU A 7 -7.388 11.011 0.353 1.00 0.00 H ATOM 187 N ASP A 8 -8.656 11.019 3.308 1.00 0.00 N ATOM 188 CA ASP A 8 -8.685 11.097 4.771 1.00 0.00 C ATOM 189 C ASP A 8 -9.970 11.796 5.239 1.00 0.00 C ATOM 190 O ASP A 8 -10.459 11.554 6.339 1.00 0.00 O ATOM 191 CB ASP A 8 -7.444 11.863 5.232 1.00 0.00 C ATOM 192 CG ASP A 8 -6.970 11.491 6.628 1.00 0.00 C ATOM 193 OD1 ASP A 8 -7.571 11.960 7.622 1.00 0.00 O ATOM 194 OD2 ASP A 8 -5.910 10.828 6.699 1.00 0.00 O ATOM 195 HA ASP A 8 -8.679 10.097 5.205 1.00 0.00 H ATOM 196 HB2 ASP A 8 -6.635 11.660 4.530 1.00 0.00 H ATOM 197 HB3 ASP A 8 -7.675 12.928 5.221 1.00 0.00 H ATOM 198 H ASP A 8 -8.004 11.653 2.803 1.00 0.00 H ATOM 199 N HIS A 9 -10.514 12.678 4.391 1.00 0.00 N ATOM 200 CA HIS A 9 -11.724 13.459 4.614 1.00 0.00 C ATOM 201 C HIS A 9 -13.014 12.676 4.310 1.00 0.00 C ATOM 202 O HIS A 9 -13.858 12.614 5.203 1.00 0.00 O ATOM 203 CB HIS A 9 -11.639 14.780 3.835 1.00 0.00 C ATOM 204 CG HIS A 9 -10.631 15.726 4.438 1.00 0.00 C ATOM 205 ND1 HIS A 9 -9.266 15.549 4.483 1.00 0.00 N ATOM 206 CD2 HIS A 9 -10.930 16.827 5.189 1.00 0.00 C ATOM 207 CE1 HIS A 9 -8.761 16.483 5.300 1.00 0.00 C ATOM 208 NE2 HIS A 9 -9.731 17.315 5.728 1.00 0.00 N ATOM 209 HA HIS A 9 -11.783 13.688 5.678 1.00 0.00 H ATOM 210 HB2 HIS A 9 -11.349 14.565 2.807 1.00 0.00 H ATOM 211 HB3 HIS A 9 -12.619 15.257 3.843 1.00 0.00 H ATOM 212 HD2 HIS A 9 -11.923 17.250 5.342 1.00 0.00 H ATOM 213 HE1 HIS A 9 -7.710 16.559 5.580 1.00 0.00 H ATOM 214 H HIS A 9 -10.025 12.820 3.484 1.00 0.00 H ATOM 215 N PRO A 10 -13.225 12.074 3.117 1.00 0.00 N ATOM 216 CA PRO A 10 -14.434 11.318 2.807 1.00 0.00 C ATOM 217 C PRO A 10 -14.427 9.972 3.542 1.00 0.00 C ATOM 218 O PRO A 10 -14.295 8.920 2.915 1.00 0.00 O ATOM 219 CB PRO A 10 -14.431 11.148 1.285 1.00 0.00 C ATOM 220 CG PRO A 10 -12.943 11.059 0.968 1.00 0.00 C ATOM 221 CD PRO A 10 -12.347 12.059 1.956 1.00 0.00 C ATOM 222 HA PRO A 10 -15.340 11.828 3.135 1.00 0.00 H ATOM 223 HD3 PRO A 10 -11.344 11.747 2.247 1.00 0.00 H ATOM 224 HD2 PRO A 10 -12.302 13.051 1.506 1.00 0.00 H ATOM 225 HG3 PRO A 10 -12.739 11.350 -0.062 1.00 0.00 H ATOM 226 HG2 PRO A 10 -12.560 10.053 1.142 1.00 0.00 H ATOM 227 HB2 PRO A 10 -14.953 10.238 0.989 1.00 0.00 H ATOM 228 HB3 PRO A 10 -14.889 12.005 0.791 1.00 0.00 H ATOM 229 N PHE A 11 -14.610 9.987 4.863 1.00 0.00 N ATOM 230 CA PHE A 11 -14.626 8.786 5.683 1.00 0.00 C ATOM 231 C PHE A 11 -15.688 7.811 5.163 1.00 0.00 C ATOM 232 O PHE A 11 -15.450 6.603 5.175 1.00 0.00 O ATOM 233 CB PHE A 11 -14.830 9.152 7.162 1.00 0.00 C ATOM 234 CG PHE A 11 -14.068 8.263 8.123 1.00 0.00 C ATOM 235 CD1 PHE A 11 -12.679 8.437 8.273 1.00 0.00 C ATOM 236 CD2 PHE A 11 -14.733 7.268 8.867 1.00 0.00 C ATOM 237 CE1 PHE A 11 -11.955 7.614 9.152 1.00 0.00 C ATOM 238 CE2 PHE A 11 -14.002 6.440 9.742 1.00 0.00 C ATOM 239 CZ PHE A 11 -12.618 6.618 9.886 1.00 0.00 C ATOM 240 HA PHE A 11 -13.663 8.280 5.613 1.00 0.00 H ATOM 241 HB2 PHE A 11 -14.501 10.180 7.310 1.00 0.00 H ATOM 242 HB3 PHE A 11 -15.893 9.075 7.392 1.00 0.00 H ATOM 243 HD2 PHE A 11 -15.811 7.139 8.766 1.00 0.00 H ATOM 244 HE2 PHE A 11 -14.512 5.660 10.308 1.00 0.00 H ATOM 245 HZ PHE A 11 -12.056 5.981 10.569 1.00 0.00 H ATOM 246 HE1 PHE A 11 -10.879 7.749 9.264 1.00 0.00 H ATOM 247 HD1 PHE A 11 -12.164 9.212 7.706 1.00 0.00 H ATOM 248 H PHE A 11 -14.748 10.905 5.331 1.00 0.00 H ATOM 249 N GLU A 12 -16.821 8.327 4.658 1.00 0.00 N ATOM 250 CA GLU A 12 -17.891 7.489 4.120 1.00 0.00 C ATOM 251 C GLU A 12 -17.436 6.744 2.861 1.00 0.00 C ATOM 252 O GLU A 12 -17.857 5.612 2.633 1.00 0.00 O ATOM 253 CB GLU A 12 -19.177 8.305 3.831 1.00 0.00 C ATOM 254 CG GLU A 12 -19.123 9.185 2.563 1.00 0.00 C ATOM 255 CD GLU A 12 -20.449 9.860 2.202 1.00 0.00 C ATOM 256 OE1 GLU A 12 -21.446 9.153 1.924 1.00 0.00 O ATOM 257 OE2 GLU A 12 -20.472 11.106 2.062 1.00 0.00 O ATOM 258 HA GLU A 12 -18.130 6.753 4.888 1.00 0.00 H ATOM 259 HB2 GLU A 12 -20.004 7.604 3.721 1.00 0.00 H ATOM 260 HB3 GLU A 12 -19.364 8.955 4.686 1.00 0.00 H ATOM 261 HG2 GLU A 12 -18.376 9.963 2.720 1.00 0.00 H ATOM 262 HG3 GLU A 12 -18.821 8.557 1.725 1.00 0.00 H ATOM 263 H GLU A 12 -16.941 9.360 4.650 1.00 0.00 H ATOM 264 N TYR A 13 -16.630 7.394 2.011 1.00 0.00 N ATOM 265 CA TYR A 13 -16.150 6.793 0.778 1.00 0.00 C ATOM 266 C TYR A 13 -15.032 5.823 1.111 1.00 0.00 C ATOM 267 O TYR A 13 -15.039 4.701 0.623 1.00 0.00 O ATOM 268 CB TYR A 13 -15.724 7.854 -0.248 1.00 0.00 C ATOM 269 CG TYR A 13 -15.819 7.357 -1.680 1.00 0.00 C ATOM 270 CD1 TYR A 13 -17.081 7.058 -2.226 1.00 0.00 C ATOM 271 CD2 TYR A 13 -14.662 7.164 -2.458 1.00 0.00 C ATOM 272 CE1 TYR A 13 -17.190 6.550 -3.530 1.00 0.00 C ATOM 273 CE2 TYR A 13 -14.760 6.641 -3.761 1.00 0.00 C ATOM 274 CZ TYR A 13 -16.027 6.319 -4.297 1.00 0.00 C ATOM 275 OH TYR A 13 -16.148 5.846 -5.567 1.00 0.00 O ATOM 276 HA TYR A 13 -16.962 6.241 0.303 1.00 0.00 H ATOM 277 HB3 TYR A 13 -14.692 8.140 -0.046 1.00 0.00 H ATOM 278 HB2 TYR A 13 -16.370 8.725 -0.138 1.00 0.00 H ATOM 279 HD2 TYR A 13 -13.685 7.421 -2.049 1.00 0.00 H ATOM 280 HE2 TYR A 13 -13.860 6.485 -4.356 1.00 0.00 H ATOM 281 HE1 TYR A 13 -18.172 6.334 -3.950 1.00 0.00 H ATOM 282 HD1 TYR A 13 -17.980 7.222 -1.632 1.00 0.00 H ATOM 283 HH TYR A 13 -17.103 5.678 -5.766 1.00 0.00 H ATOM 284 H TYR A 13 -16.337 8.365 2.242 1.00 0.00 H ATOM 285 N ARG A 14 -14.112 6.215 1.994 1.00 0.00 N ATOM 286 CA ARG A 14 -13.003 5.372 2.413 1.00 0.00 C ATOM 287 C ARG A 14 -13.557 4.060 2.967 1.00 0.00 C ATOM 288 O ARG A 14 -13.092 2.991 2.591 1.00 0.00 O ATOM 289 CB ARG A 14 -12.202 6.159 3.455 1.00 0.00 C ATOM 290 CG ARG A 14 -10.882 5.495 3.850 1.00 0.00 C ATOM 291 CD ARG A 14 -9.698 5.902 2.968 1.00 0.00 C ATOM 292 NE ARG A 14 -8.430 5.616 3.662 1.00 0.00 N ATOM 293 CZ ARG A 14 -7.900 6.370 4.636 1.00 0.00 C ATOM 294 NH1 ARG A 14 -8.389 7.576 4.914 1.00 0.00 N ATOM 295 NH2 ARG A 14 -6.887 5.930 5.368 1.00 0.00 N ATOM 296 HA ARG A 14 -12.343 5.115 1.585 1.00 0.00 H ATOM 297 HB2 ARG A 14 -11.982 7.145 3.047 1.00 0.00 H ATOM 298 HB3 ARG A 14 -12.814 6.266 4.350 1.00 0.00 H ATOM 299 HG2 ARG A 14 -10.654 5.769 4.880 1.00 0.00 H ATOM 300 HG3 ARG A 14 -11.006 4.414 3.782 1.00 0.00 H ATOM 301 HD2 ARG A 14 -9.759 6.969 2.752 1.00 0.00 H ATOM 302 HD3 ARG A 14 -9.733 5.341 2.034 1.00 0.00 H ATOM 303 HE ARG A 14 -7.906 4.765 3.375 1.00 0.00 H ATOM 304 HH12 ARG A 14 -7.965 8.147 5.673 1.00 0.00 H ATOM 305 HH11 ARG A 14 -9.195 7.948 4.372 1.00 0.00 H ATOM 306 HH22 ARG A 14 -6.489 6.529 6.119 1.00 0.00 H ATOM 307 HH21 ARG A 14 -6.490 4.985 5.191 1.00 0.00 H ATOM 308 H ARG A 14 -14.191 7.168 2.402 1.00 0.00 H ATOM 309 N LYS A 15 -14.628 4.125 3.764 1.00 0.00 N ATOM 310 CA LYS A 15 -15.240 2.937 4.330 1.00 0.00 C ATOM 311 C LYS A 15 -15.877 2.118 3.212 1.00 0.00 C ATOM 312 O LYS A 15 -15.613 0.926 3.123 1.00 0.00 O ATOM 313 CB LYS A 15 -16.249 3.345 5.410 1.00 0.00 C ATOM 314 CG LYS A 15 -17.115 2.226 6.011 1.00 0.00 C ATOM 315 CD LYS A 15 -16.307 0.953 6.289 1.00 0.00 C ATOM 316 CE LYS A 15 -16.900 0.077 7.394 1.00 0.00 C ATOM 317 NZ LYS A 15 -16.599 0.604 8.739 1.00 0.00 N ATOM 318 HA LYS A 15 -14.490 2.309 4.810 1.00 0.00 H ATOM 319 HB2 LYS A 15 -15.691 3.804 6.226 1.00 0.00 H ATOM 320 HB3 LYS A 15 -16.921 4.082 4.971 1.00 0.00 H ATOM 321 HG2 LYS A 15 -17.546 2.580 6.948 1.00 0.00 H ATOM 322 HG3 LYS A 15 -17.916 1.988 5.311 1.00 0.00 H ATOM 323 HD2 LYS A 15 -16.262 0.366 5.371 1.00 0.00 H ATOM 324 HD3 LYS A 15 -15.298 1.243 6.583 1.00 0.00 H ATOM 325 HE2 LYS A 15 -16.485 -0.927 7.308 1.00 0.00 H ATOM 326 HE3 LYS A 15 -17.982 0.034 7.267 1.00 0.00 H ATOM 327 HZ1 LYS A 15 -15.568 0.642 8.872 1.00 0.00 H ATOM 328 HZ2 LYS A 15 -16.998 1.560 8.833 1.00 0.00 H ATOM 329 HZ3 LYS A 15 -17.020 -0.020 9.457 1.00 0.00 H ATOM 330 H LYS A 15 -15.035 5.056 3.985 1.00 0.00 H ATOM 331 N LYS A 16 -16.707 2.728 2.360 1.00 0.00 N ATOM 332 CA LYS A 16 -17.375 2.045 1.242 1.00 0.00 C ATOM 333 C LYS A 16 -16.361 1.298 0.382 1.00 0.00 C ATOM 334 O LYS A 16 -16.587 0.131 0.071 1.00 0.00 O ATOM 335 CB LYS A 16 -18.098 3.055 0.340 1.00 0.00 C ATOM 336 CG LYS A 16 -19.467 3.503 0.859 1.00 0.00 C ATOM 337 CD LYS A 16 -19.922 4.729 0.052 1.00 0.00 C ATOM 338 CE LYS A 16 -21.334 5.211 0.391 1.00 0.00 C ATOM 339 NZ LYS A 16 -21.505 5.488 1.827 1.00 0.00 N ATOM 340 HA LYS A 16 -18.091 1.346 1.674 1.00 0.00 H ATOM 341 HB2 LYS A 16 -17.466 3.937 0.241 1.00 0.00 H ATOM 342 HB3 LYS A 16 -18.238 2.598 -0.640 1.00 0.00 H ATOM 343 HG2 LYS A 16 -20.188 2.695 0.737 1.00 0.00 H ATOM 344 HG3 LYS A 16 -19.392 3.765 1.914 1.00 0.00 H ATOM 345 HD2 LYS A 16 -19.226 5.545 0.246 1.00 0.00 H ATOM 346 HD3 LYS A 16 -19.893 4.472 -1.007 1.00 0.00 H ATOM 347 HE2 LYS A 16 -22.047 4.441 0.096 1.00 0.00 H ATOM 348 HE3 LYS A 16 -21.536 6.125 -0.168 1.00 0.00 H ATOM 349 HZ1 LYS A 16 -21.323 4.620 2.370 1.00 0.00 H ATOM 350 HZ2 LYS A 16 -20.835 6.228 2.118 1.00 0.00 H ATOM 351 HZ3 LYS A 16 -22.478 5.811 2.003 1.00 0.00 H ATOM 352 H LYS A 16 -16.891 3.743 2.495 1.00 0.00 H ATOM 353 N GLU A 17 -15.250 1.937 0.036 1.00 0.00 N ATOM 354 CA GLU A 17 -14.196 1.364 -0.785 1.00 0.00 C ATOM 355 C GLU A 17 -13.608 0.152 -0.062 1.00 0.00 C ATOM 356 O GLU A 17 -13.537 -0.931 -0.645 1.00 0.00 O ATOM 357 CB GLU A 17 -13.118 2.431 -1.005 1.00 0.00 C ATOM 358 CG GLU A 17 -13.558 3.581 -1.922 1.00 0.00 C ATOM 359 CD GLU A 17 -13.438 3.210 -3.392 1.00 0.00 C ATOM 360 OE1 GLU A 17 -12.286 3.138 -3.876 1.00 0.00 O ATOM 361 OE2 GLU A 17 -14.470 3.044 -4.072 1.00 0.00 O ATOM 362 HA GLU A 17 -14.588 1.043 -1.750 1.00 0.00 H ATOM 363 HB2 GLU A 17 -12.846 2.849 -0.036 1.00 0.00 H ATOM 364 HB3 GLU A 17 -12.246 1.952 -1.450 1.00 0.00 H ATOM 365 HG2 GLU A 17 -14.597 3.828 -1.704 1.00 0.00 H ATOM 366 HG3 GLU A 17 -12.930 4.450 -1.725 1.00 0.00 H ATOM 367 H GLU A 17 -15.125 2.912 0.375 1.00 0.00 H ATOM 368 N GLY A 18 -13.261 0.305 1.221 1.00 0.00 N ATOM 369 CA GLY A 18 -12.693 -0.759 2.036 1.00 0.00 C ATOM 370 C GLY A 18 -13.658 -1.935 2.136 1.00 0.00 C ATOM 371 O GLY A 18 -13.256 -3.086 2.015 1.00 0.00 O ATOM 372 HA3 GLY A 18 -12.491 -0.375 3.036 1.00 0.00 H ATOM 373 HA2 GLY A 18 -11.761 -1.098 1.584 1.00 0.00 H ATOM 374 H GLY A 18 -13.405 1.236 1.661 1.00 0.00 H ATOM 375 N GLU A 19 -14.944 -1.660 2.345 1.00 0.00 N ATOM 376 CA GLU A 19 -16.020 -2.630 2.461 1.00 0.00 C ATOM 377 C GLU A 19 -16.185 -3.407 1.145 1.00 0.00 C ATOM 378 O GLU A 19 -16.317 -4.639 1.137 1.00 0.00 O ATOM 379 CB GLU A 19 -17.291 -1.844 2.845 1.00 0.00 C ATOM 380 CG GLU A 19 -18.595 -2.644 2.786 1.00 0.00 C ATOM 381 CD GLU A 19 -19.821 -1.739 2.904 1.00 0.00 C ATOM 382 OE1 GLU A 19 -20.063 -1.179 3.993 1.00 0.00 O ATOM 383 OE2 GLU A 19 -20.594 -1.648 1.919 1.00 0.00 O ATOM 384 HA GLU A 19 -15.808 -3.377 3.226 1.00 0.00 H ATOM 385 HB2 GLU A 19 -17.166 -1.477 3.864 1.00 0.00 H ATOM 386 HB3 GLU A 19 -17.383 -0.998 2.164 1.00 0.00 H ATOM 387 HG2 GLU A 19 -18.640 -3.177 1.836 1.00 0.00 H ATOM 388 HG3 GLU A 19 -18.606 -3.362 3.606 1.00 0.00 H ATOM 389 H GLU A 19 -15.203 -0.657 2.434 1.00 0.00 H ATOM 390 N LYS A 20 -16.219 -2.702 0.013 1.00 0.00 N ATOM 391 CA LYS A 20 -16.387 -3.339 -1.286 1.00 0.00 C ATOM 392 C LYS A 20 -15.169 -4.179 -1.623 1.00 0.00 C ATOM 393 O LYS A 20 -15.329 -5.363 -1.931 1.00 0.00 O ATOM 394 CB LYS A 20 -16.671 -2.295 -2.382 1.00 0.00 C ATOM 395 CG LYS A 20 -18.179 -2.099 -2.602 1.00 0.00 C ATOM 396 CD LYS A 20 -18.897 -1.339 -1.482 1.00 0.00 C ATOM 397 CE LYS A 20 -20.411 -1.444 -1.677 1.00 0.00 C ATOM 398 NZ LYS A 20 -21.145 -0.695 -0.640 1.00 0.00 N ATOM 399 HA LYS A 20 -17.252 -4.001 -1.237 1.00 0.00 H ATOM 400 HB2 LYS A 20 -16.230 -1.343 -2.086 1.00 0.00 H ATOM 401 HB3 LYS A 20 -16.218 -2.630 -3.315 1.00 0.00 H ATOM 402 HG2 LYS A 20 -18.318 -1.546 -3.531 1.00 0.00 H ATOM 403 HG3 LYS A 20 -18.639 -3.083 -2.694 1.00 0.00 H ATOM 404 HD2 LYS A 20 -18.625 -1.770 -0.519 1.00 0.00 H ATOM 405 HD3 LYS A 20 -18.600 -0.291 -1.507 1.00 0.00 H ATOM 406 HE2 LYS A 20 -20.702 -2.493 -1.629 1.00 0.00 H ATOM 407 HE3 LYS A 20 -20.671 -1.041 -2.656 1.00 0.00 H ATOM 408 HZ1 LYS A 20 -20.907 -1.078 0.297 1.00 0.00 H ATOM 409 HZ2 LYS A 20 -20.877 0.309 -0.684 1.00 0.00 H ATOM 410 HZ3 LYS A 20 -22.168 -0.789 -0.805 1.00 0.00 H ATOM 411 H LYS A 20 -16.123 -1.668 0.059 1.00 0.00 H ATOM 412 N ILE A 21 -13.962 -3.639 -1.455 1.00 0.00 N ATOM 413 CA ILE A 21 -12.751 -4.379 -1.768 1.00 0.00 C ATOM 414 C ILE A 21 -12.538 -5.510 -0.766 1.00 0.00 C ATOM 415 O ILE A 21 -12.092 -6.574 -1.184 1.00 0.00 O ATOM 416 CB ILE A 21 -11.578 -3.379 -1.842 1.00 0.00 C ATOM 417 CG1 ILE A 21 -11.691 -2.490 -3.104 1.00 0.00 C ATOM 418 CG2 ILE A 21 -10.190 -4.028 -1.776 1.00 0.00 C ATOM 419 CD1 ILE A 21 -11.496 -3.215 -4.449 1.00 0.00 C ATOM 420 HA ILE A 21 -12.829 -4.869 -2.739 1.00 0.00 H ATOM 421 HB ILE A 21 -11.667 -2.765 -0.946 1.00 0.00 H ATOM 422 HG12 ILE A 21 -12.682 -2.037 -3.108 1.00 0.00 H ATOM 423 HG13 ILE A 21 -10.936 -1.708 -3.032 1.00 0.00 H ATOM 424 HD11 ILE A 21 -10.503 -3.664 -4.478 1.00 0.00 H ATOM 425 HD12 ILE A 21 -12.251 -3.994 -4.553 1.00 0.00 H ATOM 426 HD13 ILE A 21 -11.596 -2.499 -5.264 1.00 0.00 H ATOM 427 HG21 ILE A 21 -10.088 -4.571 -0.836 1.00 0.00 H ATOM 428 HG22 ILE A 21 -10.074 -4.719 -2.611 1.00 0.00 H ATOM 429 HG23 ILE A 21 -9.425 -3.254 -1.835 1.00 0.00 H ATOM 430 H ILE A 21 -13.885 -2.667 -1.092 1.00 0.00 H ATOM 431 N ARG A 22 -12.980 -5.384 0.491 1.00 0.00 N ATOM 432 CA ARG A 22 -12.820 -6.455 1.472 1.00 0.00 C ATOM 433 C ARG A 22 -13.658 -7.624 1.008 1.00 0.00 C ATOM 434 O ARG A 22 -13.193 -8.753 1.034 1.00 0.00 O ATOM 435 CB ARG A 22 -13.248 -6.006 2.882 1.00 0.00 C ATOM 436 CG ARG A 22 -13.260 -7.122 3.946 1.00 0.00 C ATOM 437 CD ARG A 22 -11.898 -7.814 4.076 1.00 0.00 C ATOM 438 NE ARG A 22 -11.785 -8.644 5.294 1.00 0.00 N ATOM 439 CZ ARG A 22 -10.736 -9.410 5.636 1.00 0.00 C ATOM 440 NH1 ARG A 22 -9.668 -9.486 4.847 1.00 0.00 N ATOM 441 NH2 ARG A 22 -10.764 -10.114 6.765 1.00 0.00 N ATOM 442 HA ARG A 22 -11.769 -6.735 1.542 1.00 0.00 H ATOM 443 HB2 ARG A 22 -12.559 -5.230 3.214 1.00 0.00 H ATOM 444 HB3 ARG A 22 -14.254 -5.592 2.814 1.00 0.00 H ATOM 445 HG2 ARG A 22 -13.526 -6.686 4.909 1.00 0.00 H ATOM 446 HG3 ARG A 22 -14.006 -7.866 3.667 1.00 0.00 H ATOM 447 HD2 ARG A 22 -11.121 -7.050 4.103 1.00 0.00 H ATOM 448 HD3 ARG A 22 -11.748 -8.452 3.205 1.00 0.00 H ATOM 449 HE ARG A 22 -12.594 -8.634 5.948 1.00 0.00 H ATOM 450 HH12 ARG A 22 -8.861 -10.082 5.121 1.00 0.00 H ATOM 451 HH11 ARG A 22 -9.640 -8.950 3.956 1.00 0.00 H ATOM 452 HH22 ARG A 22 -9.951 -10.707 7.029 1.00 0.00 H ATOM 453 HH21 ARG A 22 -11.599 -10.071 7.384 1.00 0.00 H ATOM 454 H ARG A 22 -13.449 -4.501 0.777 1.00 0.00 H ATOM 455 N LYS A 23 -14.900 -7.378 0.584 1.00 0.00 N ATOM 456 CA LYS A 23 -15.730 -8.482 0.126 1.00 0.00 C ATOM 457 C LYS A 23 -15.274 -8.993 -1.239 1.00 0.00 C ATOM 458 O LYS A 23 -15.371 -10.195 -1.479 1.00 0.00 O ATOM 459 CB LYS A 23 -17.206 -8.069 0.092 1.00 0.00 C ATOM 460 CG LYS A 23 -17.780 -7.812 1.493 1.00 0.00 C ATOM 461 CD LYS A 23 -18.072 -9.106 2.270 1.00 0.00 C ATOM 462 CE LYS A 23 -18.586 -8.854 3.694 1.00 0.00 C ATOM 463 NZ LYS A 23 -19.602 -7.784 3.760 1.00 0.00 N ATOM 464 HA LYS A 23 -15.619 -9.301 0.836 1.00 0.00 H ATOM 465 HB2 LYS A 23 -17.300 -7.157 -0.497 1.00 0.00 H ATOM 466 HB3 LYS A 23 -17.781 -8.866 -0.380 1.00 0.00 H ATOM 467 HG2 LYS A 23 -17.061 -7.221 2.060 1.00 0.00 H ATOM 468 HG3 LYS A 23 -18.709 -7.251 1.390 1.00 0.00 H ATOM 469 HD2 LYS A 23 -18.825 -9.675 1.725 1.00 0.00 H ATOM 470 HD3 LYS A 23 -17.153 -9.688 2.331 1.00 0.00 H ATOM 471 HE2 LYS A 23 -17.742 -8.571 4.323 1.00 0.00 H ATOM 472 HE3 LYS A 23 -19.027 -9.776 4.073 1.00 0.00 H ATOM 473 HZ1 LYS A 23 -19.191 -6.895 3.410 1.00 0.00 H ATOM 474 HZ2 LYS A 23 -20.418 -8.046 3.171 1.00 0.00 H ATOM 475 HZ3 LYS A 23 -19.910 -7.660 4.746 1.00 0.00 H ATOM 476 H LYS A 23 -15.271 -6.406 0.581 1.00 0.00 H ATOM 477 N LYS A 24 -14.816 -8.131 -2.154 1.00 0.00 N ATOM 478 CA LYS A 24 -14.364 -8.535 -3.477 1.00 0.00 C ATOM 479 C LYS A 24 -13.129 -9.422 -3.393 1.00 0.00 C ATOM 480 O LYS A 24 -13.081 -10.442 -4.074 1.00 0.00 O ATOM 481 CB LYS A 24 -14.048 -7.269 -4.313 1.00 0.00 C ATOM 482 CG LYS A 24 -14.047 -7.482 -5.831 1.00 0.00 C ATOM 483 CD LYS A 24 -15.446 -7.334 -6.446 1.00 0.00 C ATOM 484 CE LYS A 24 -16.321 -8.568 -6.218 1.00 0.00 C ATOM 485 NZ LYS A 24 -17.664 -8.447 -6.809 1.00 0.00 N ATOM 486 HA LYS A 24 -15.156 -9.111 -3.955 1.00 0.00 H ATOM 487 HB2 LYS A 24 -14.796 -6.512 -4.077 1.00 0.00 H ATOM 488 HB3 LYS A 24 -13.062 -6.907 -4.021 1.00 0.00 H ATOM 489 HG2 LYS A 24 -13.385 -6.746 -6.287 1.00 0.00 H ATOM 490 HG3 LYS A 24 -13.676 -8.485 -6.043 1.00 0.00 H ATOM 491 HD2 LYS A 24 -15.936 -6.470 -5.997 1.00 0.00 H ATOM 492 HD3 LYS A 24 -15.341 -7.173 -7.519 1.00 0.00 H ATOM 493 HE2 LYS A 24 -16.428 -8.723 -5.144 1.00 0.00 H ATOM 494 HE3 LYS A 24 -15.824 -9.431 -6.661 1.00 0.00 H ATOM 495 HZ1 LYS A 24 -18.155 -7.632 -6.388 1.00 0.00 H ATOM 496 HZ2 LYS A 24 -17.578 -8.309 -7.836 1.00 0.00 H ATOM 497 HZ3 LYS A 24 -18.205 -9.315 -6.619 1.00 0.00 H ATOM 498 H LYS A 24 -14.781 -7.121 -1.907 1.00 0.00 H ATOM 499 N TYR A 25 -12.160 -9.032 -2.563 1.00 0.00 N ATOM 500 CA TYR A 25 -10.893 -9.712 -2.380 1.00 0.00 C ATOM 501 C TYR A 25 -10.503 -9.857 -0.899 1.00 0.00 C ATOM 502 O TYR A 25 -9.530 -9.236 -0.478 1.00 0.00 O ATOM 503 CB TYR A 25 -9.869 -8.861 -3.147 1.00 0.00 C ATOM 504 CG TYR A 25 -10.184 -8.604 -4.608 1.00 0.00 C ATOM 505 CD1 TYR A 25 -10.334 -9.692 -5.483 1.00 0.00 C ATOM 506 CD2 TYR A 25 -10.286 -7.287 -5.101 1.00 0.00 C ATOM 507 CE1 TYR A 25 -10.578 -9.470 -6.843 1.00 0.00 C ATOM 508 CE2 TYR A 25 -10.524 -7.056 -6.467 1.00 0.00 C ATOM 509 CZ TYR A 25 -10.676 -8.154 -7.343 1.00 0.00 C ATOM 510 OH TYR A 25 -10.951 -7.977 -8.660 1.00 0.00 O ATOM 511 HA TYR A 25 -10.944 -10.735 -2.752 1.00 0.00 H ATOM 512 HB3 TYR A 25 -8.907 -9.370 -3.097 1.00 0.00 H ATOM 513 HB2 TYR A 25 -9.794 -7.896 -2.646 1.00 0.00 H ATOM 514 HD2 TYR A 25 -10.180 -6.443 -4.419 1.00 0.00 H ATOM 515 HE2 TYR A 25 -10.591 -6.037 -6.848 1.00 0.00 H ATOM 516 HE1 TYR A 25 -10.693 -10.317 -7.519 1.00 0.00 H ATOM 517 HD1 TYR A 25 -10.260 -10.711 -5.102 1.00 0.00 H ATOM 518 HH TYR A 25 -11.020 -8.860 -9.103 1.00 0.00 H ATOM 519 H TYR A 25 -12.327 -8.172 -2.003 1.00 0.00 H ATOM 520 N PRO A 26 -11.168 -10.687 -0.079 1.00 0.00 N ATOM 521 CA PRO A 26 -10.817 -10.823 1.339 1.00 0.00 C ATOM 522 C PRO A 26 -9.432 -11.447 1.570 1.00 0.00 C ATOM 523 O PRO A 26 -8.810 -11.219 2.611 1.00 0.00 O ATOM 524 CB PRO A 26 -11.956 -11.623 1.970 1.00 0.00 C ATOM 525 CG PRO A 26 -12.522 -12.417 0.794 1.00 0.00 C ATOM 526 CD PRO A 26 -12.329 -11.493 -0.404 1.00 0.00 C ATOM 527 HA PRO A 26 -10.720 -9.845 1.810 1.00 0.00 H ATOM 528 HD3 PRO A 26 -12.151 -12.073 -1.310 1.00 0.00 H ATOM 529 HD2 PRO A 26 -13.206 -10.861 -0.545 1.00 0.00 H ATOM 530 HG3 PRO A 26 -13.578 -12.637 0.948 1.00 0.00 H ATOM 531 HG2 PRO A 26 -11.974 -13.349 0.656 1.00 0.00 H ATOM 532 HB2 PRO A 26 -11.582 -12.289 2.747 1.00 0.00 H ATOM 533 HB3 PRO A 26 -12.711 -10.961 2.394 1.00 0.00 H ATOM 534 N ASP A 27 -8.905 -12.201 0.604 1.00 0.00 N ATOM 535 CA ASP A 27 -7.579 -12.820 0.707 1.00 0.00 C ATOM 536 C ASP A 27 -6.485 -11.796 0.345 1.00 0.00 C ATOM 537 O ASP A 27 -5.305 -12.139 0.242 1.00 0.00 O ATOM 538 CB ASP A 27 -7.476 -14.046 -0.215 1.00 0.00 C ATOM 539 CG ASP A 27 -8.398 -15.193 0.187 1.00 0.00 C ATOM 540 OD1 ASP A 27 -8.458 -15.540 1.387 1.00 0.00 O ATOM 541 OD2 ASP A 27 -9.124 -15.715 -0.692 1.00 0.00 O ATOM 542 HA ASP A 27 -7.434 -13.149 1.736 1.00 0.00 H ATOM 543 HB2 ASP A 27 -7.732 -13.737 -1.229 1.00 0.00 H ATOM 544 HB3 ASP A 27 -6.448 -14.407 -0.195 1.00 0.00 H ATOM 545 H ASP A 27 -9.460 -12.357 -0.262 1.00 0.00 H ATOM 546 N ARG A 28 -6.856 -10.545 0.052 1.00 0.00 N ATOM 547 CA ARG A 28 -5.967 -9.455 -0.321 1.00 0.00 C ATOM 548 C ARG A 28 -6.282 -8.255 0.571 1.00 0.00 C ATOM 549 O ARG A 28 -7.348 -8.185 1.184 1.00 0.00 O ATOM 550 CB ARG A 28 -6.074 -9.119 -1.823 1.00 0.00 C ATOM 551 CG ARG A 28 -5.651 -10.232 -2.810 1.00 0.00 C ATOM 552 CD ARG A 28 -6.740 -11.282 -3.110 1.00 0.00 C ATOM 553 NE ARG A 28 -6.263 -12.403 -3.935 1.00 0.00 N ATOM 554 CZ ARG A 28 -5.528 -13.445 -3.530 1.00 0.00 C ATOM 555 NH1 ARG A 28 -4.967 -13.451 -2.324 1.00 0.00 N ATOM 556 NH2 ARG A 28 -5.335 -14.478 -4.344 1.00 0.00 N ATOM 557 HA ARG A 28 -4.930 -9.752 -0.165 1.00 0.00 H ATOM 558 HB2 ARG A 28 -7.113 -8.867 -2.033 1.00 0.00 H ATOM 559 HB3 ARG A 28 -5.445 -8.250 -2.014 1.00 0.00 H ATOM 560 HG2 ARG A 28 -5.366 -9.761 -3.751 1.00 0.00 H ATOM 561 HG3 ARG A 28 -4.789 -10.749 -2.389 1.00 0.00 H ATOM 562 HD2 ARG A 28 -7.558 -10.790 -3.636 1.00 0.00 H ATOM 563 HD3 ARG A 28 -7.105 -11.681 -2.164 1.00 0.00 H ATOM 564 HE ARG A 28 -6.525 -12.383 -4.941 1.00 0.00 H ATOM 565 HH12 ARG A 28 -4.398 -14.266 -2.019 1.00 0.00 H ATOM 566 HH11 ARG A 28 -5.098 -12.640 -1.686 1.00 0.00 H ATOM 567 HH22 ARG A 28 -4.764 -15.288 -4.030 1.00 0.00 H ATOM 568 HH21 ARG A 28 -5.755 -14.476 -5.295 1.00 0.00 H ATOM 569 H ARG A 28 -7.873 -10.332 0.095 1.00 0.00 H ATOM 570 N VAL A 29 -5.352 -7.307 0.662 1.00 0.00 N ATOM 571 CA VAL A 29 -5.493 -6.114 1.487 1.00 0.00 C ATOM 572 C VAL A 29 -5.156 -4.870 0.648 1.00 0.00 C ATOM 573 O VAL A 29 -4.210 -4.921 -0.153 1.00 0.00 O ATOM 574 CB VAL A 29 -4.627 -6.279 2.762 1.00 0.00 C ATOM 575 CG1 VAL A 29 -5.002 -7.567 3.525 1.00 0.00 C ATOM 576 CG2 VAL A 29 -3.110 -6.335 2.509 1.00 0.00 C ATOM 577 HA VAL A 29 -6.520 -5.978 1.826 1.00 0.00 H ATOM 578 HB VAL A 29 -4.843 -5.381 3.341 1.00 0.00 H ATOM 579 HG11 VAL A 29 -6.051 -7.522 3.818 1.00 0.00 H ATOM 580 HG12 VAL A 29 -4.841 -8.430 2.879 1.00 0.00 H ATOM 581 HG13 VAL A 29 -4.378 -7.656 4.414 1.00 0.00 H ATOM 582 HG21 VAL A 29 -2.882 -7.182 1.862 1.00 0.00 H ATOM 583 HG22 VAL A 29 -2.789 -5.411 2.028 1.00 0.00 H ATOM 584 HG23 VAL A 29 -2.589 -6.451 3.459 1.00 0.00 H ATOM 585 H VAL A 29 -4.476 -7.424 0.114 1.00 0.00 H ATOM 586 N PRO A 30 -5.909 -3.755 0.772 1.00 0.00 N ATOM 587 CA PRO A 30 -5.635 -2.540 0.012 1.00 0.00 C ATOM 588 C PRO A 30 -4.487 -1.769 0.675 1.00 0.00 C ATOM 589 O PRO A 30 -4.591 -1.333 1.829 1.00 0.00 O ATOM 590 CB PRO A 30 -6.960 -1.772 0.029 1.00 0.00 C ATOM 591 CG PRO A 30 -7.577 -2.150 1.378 1.00 0.00 C ATOM 592 CD PRO A 30 -7.057 -3.562 1.650 1.00 0.00 C ATOM 593 HA PRO A 30 -5.312 -2.722 -1.013 1.00 0.00 H ATOM 594 HD3 PRO A 30 -6.755 -3.658 2.693 1.00 0.00 H ATOM 595 HD2 PRO A 30 -7.830 -4.298 1.428 1.00 0.00 H ATOM 596 HG3 PRO A 30 -8.665 -2.144 1.320 1.00 0.00 H ATOM 597 HG2 PRO A 30 -7.252 -1.462 2.158 1.00 0.00 H ATOM 598 HB2 PRO A 30 -6.788 -0.697 -0.034 1.00 0.00 H ATOM 599 HB3 PRO A 30 -7.602 -2.085 -0.794 1.00 0.00 H ATOM 600 N VAL A 31 -3.455 -1.458 -0.112 1.00 0.00 N ATOM 601 CA VAL A 31 -2.259 -0.763 0.339 1.00 0.00 C ATOM 602 C VAL A 31 -2.048 0.554 -0.413 1.00 0.00 C ATOM 603 O VAL A 31 -2.192 0.606 -1.642 1.00 0.00 O ATOM 604 CB VAL A 31 -1.052 -1.715 0.174 1.00 0.00 C ATOM 605 CG1 VAL A 31 0.269 -1.079 0.618 1.00 0.00 C ATOM 606 CG2 VAL A 31 -1.250 -3.014 0.978 1.00 0.00 C ATOM 607 HA VAL A 31 -2.371 -0.493 1.389 1.00 0.00 H ATOM 608 HB VAL A 31 -0.998 -1.933 -0.893 1.00 0.00 H ATOM 609 HG11 VAL A 31 0.461 -0.189 0.019 1.00 0.00 H ATOM 610 HG12 VAL A 31 0.202 -0.803 1.670 1.00 0.00 H ATOM 611 HG13 VAL A 31 1.080 -1.794 0.479 1.00 0.00 H ATOM 612 HG21 VAL A 31 -1.360 -2.772 2.035 1.00 0.00 H ATOM 613 HG22 VAL A 31 -2.146 -3.525 0.626 1.00 0.00 H ATOM 614 HG23 VAL A 31 -0.384 -3.661 0.840 1.00 0.00 H ATOM 615 H VAL A 31 -3.509 -1.731 -1.114 1.00 0.00 H ATOM 616 N ILE A 32 -1.671 1.604 0.314 1.00 0.00 N ATOM 617 CA ILE A 32 -1.376 2.930 -0.220 1.00 0.00 C ATOM 618 C ILE A 32 0.139 2.895 -0.380 1.00 0.00 C ATOM 619 O ILE A 32 0.851 2.419 0.507 1.00 0.00 O ATOM 620 CB ILE A 32 -1.792 4.065 0.744 1.00 0.00 C ATOM 621 CG1 ILE A 32 -3.312 4.023 0.978 1.00 0.00 C ATOM 622 CG2 ILE A 32 -1.357 5.445 0.204 1.00 0.00 C ATOM 623 CD1 ILE A 32 -3.812 5.051 1.988 1.00 0.00 C ATOM 624 HA ILE A 32 -1.921 3.136 -1.141 1.00 0.00 H ATOM 625 HB ILE A 32 -1.285 3.912 1.696 1.00 0.00 H ATOM 626 HG12 ILE A 32 -3.811 4.206 0.026 1.00 0.00 H ATOM 627 HG13 ILE A 32 -3.576 3.029 1.340 1.00 0.00 H ATOM 628 HD11 ILE A 32 -3.332 4.876 2.951 1.00 0.00 H ATOM 629 HD12 ILE A 32 -3.567 6.053 1.636 1.00 0.00 H ATOM 630 HD13 ILE A 32 -4.892 4.956 2.096 1.00 0.00 H ATOM 631 HG21 ILE A 32 -0.273 5.464 0.091 1.00 0.00 H ATOM 632 HG22 ILE A 32 -1.828 5.620 -0.763 1.00 0.00 H ATOM 633 HG23 ILE A 32 -1.664 6.221 0.905 1.00 0.00 H ATOM 634 H ILE A 32 -1.580 1.469 1.341 1.00 0.00 H ATOM 635 N VAL A 33 0.630 3.374 -1.516 1.00 0.00 N ATOM 636 CA VAL A 33 2.040 3.401 -1.843 1.00 0.00 C ATOM 637 C VAL A 33 2.462 4.866 -1.839 1.00 0.00 C ATOM 638 O VAL A 33 2.004 5.624 -2.694 1.00 0.00 O ATOM 639 CB VAL A 33 2.210 2.716 -3.222 1.00 0.00 C ATOM 640 CG1 VAL A 33 3.690 2.595 -3.590 1.00 0.00 C ATOM 641 CG2 VAL A 33 1.562 1.317 -3.275 1.00 0.00 C ATOM 642 HA VAL A 33 2.670 2.865 -1.133 1.00 0.00 H ATOM 643 HB VAL A 33 1.697 3.353 -3.943 1.00 0.00 H ATOM 644 HG11 VAL A 33 4.135 3.589 -3.634 1.00 0.00 H ATOM 645 HG12 VAL A 33 4.203 1.999 -2.835 1.00 0.00 H ATOM 646 HG13 VAL A 33 3.783 2.111 -4.562 1.00 0.00 H ATOM 647 HG21 VAL A 33 2.023 0.676 -2.524 1.00 0.00 H ATOM 648 HG22 VAL A 33 0.494 1.405 -3.074 1.00 0.00 H ATOM 649 HG23 VAL A 33 1.713 0.885 -4.265 1.00 0.00 H ATOM 650 H VAL A 33 -0.040 3.754 -2.215 1.00 0.00 H ATOM 651 N GLU A 34 3.396 5.252 -0.965 1.00 0.00 N ATOM 652 CA GLU A 34 3.862 6.625 -0.872 1.00 0.00 C ATOM 653 C GLU A 34 5.372 6.672 -0.593 1.00 0.00 C ATOM 654 O GLU A 34 5.920 5.863 0.158 1.00 0.00 O ATOM 655 CB GLU A 34 3.038 7.300 0.234 1.00 0.00 C ATOM 656 CG GLU A 34 3.281 8.809 0.344 1.00 0.00 C ATOM 657 CD GLU A 34 2.325 9.480 1.336 1.00 0.00 C ATOM 658 OE1 GLU A 34 1.089 9.370 1.155 1.00 0.00 O ATOM 659 OE2 GLU A 34 2.791 10.196 2.255 1.00 0.00 O ATOM 660 HA GLU A 34 3.721 7.158 -1.812 1.00 0.00 H ATOM 661 HB2 GLU A 34 1.981 7.135 0.026 1.00 0.00 H ATOM 662 HB3 GLU A 34 3.296 6.838 1.187 1.00 0.00 H ATOM 663 HG2 GLU A 34 4.306 8.976 0.676 1.00 0.00 H ATOM 664 HG3 GLU A 34 3.141 9.260 -0.638 1.00 0.00 H ATOM 665 H GLU A 34 3.806 4.541 -0.326 1.00 0.00 H ATOM 666 N LYS A 35 6.075 7.605 -1.232 1.00 0.00 N ATOM 667 CA LYS A 35 7.509 7.791 -1.046 1.00 0.00 C ATOM 668 C LYS A 35 7.691 8.874 0.012 1.00 0.00 C ATOM 669 O LYS A 35 6.940 9.855 0.010 1.00 0.00 O ATOM 670 CB LYS A 35 8.204 8.091 -2.382 1.00 0.00 C ATOM 671 CG LYS A 35 8.039 9.497 -2.981 1.00 0.00 C ATOM 672 CD LYS A 35 9.081 10.527 -2.521 1.00 0.00 C ATOM 673 CE LYS A 35 10.529 10.099 -2.788 1.00 0.00 C ATOM 674 NZ LYS A 35 10.772 9.736 -4.202 1.00 0.00 N ATOM 675 HA LYS A 35 7.991 6.880 -0.690 1.00 0.00 H ATOM 676 HB2 LYS A 35 9.271 7.923 -2.237 1.00 0.00 H ATOM 677 HB3 LYS A 35 7.821 7.380 -3.114 1.00 0.00 H ATOM 678 HG2 LYS A 35 8.104 9.412 -4.066 1.00 0.00 H ATOM 679 HG3 LYS A 35 7.052 9.868 -2.705 1.00 0.00 H ATOM 680 HD2 LYS A 35 8.896 11.463 -3.047 1.00 0.00 H ATOM 681 HD3 LYS A 35 8.960 10.684 -1.449 1.00 0.00 H ATOM 682 HE2 LYS A 35 10.757 9.236 -2.163 1.00 0.00 H ATOM 683 HE3 LYS A 35 11.190 10.924 -2.522 1.00 0.00 H ATOM 684 HZ1 LYS A 35 10.153 8.943 -4.466 1.00 0.00 H ATOM 685 HZ2 LYS A 35 10.566 10.555 -4.809 1.00 0.00 H ATOM 686 HZ3 LYS A 35 11.766 9.456 -4.321 1.00 0.00 H ATOM 687 H LYS A 35 5.577 8.232 -1.896 1.00 0.00 H ATOM 688 N ALA A 36 8.653 8.693 0.907 1.00 0.00 N ATOM 689 CA ALA A 36 8.965 9.632 1.975 1.00 0.00 C ATOM 690 C ALA A 36 10.042 10.616 1.481 1.00 0.00 C ATOM 691 O ALA A 36 10.658 10.381 0.431 1.00 0.00 O ATOM 692 CB ALA A 36 9.465 8.817 3.174 1.00 0.00 C ATOM 693 HA ALA A 36 8.090 10.212 2.269 1.00 0.00 H ATOM 694 HB1 ALA A 36 8.686 8.124 3.491 1.00 0.00 H ATOM 695 HB2 ALA A 36 10.355 8.258 2.886 1.00 0.00 H ATOM 696 HB3 ALA A 36 9.708 9.492 3.994 1.00 0.00 H ATOM 697 H ALA A 36 9.221 7.824 0.842 1.00 0.00 H ATOM 698 N PRO A 37 10.255 11.737 2.190 1.00 0.00 N ATOM 699 CA PRO A 37 11.257 12.719 1.812 1.00 0.00 C ATOM 700 C PRO A 37 12.663 12.142 2.019 1.00 0.00 C ATOM 701 O PRO A 37 12.834 11.100 2.648 1.00 0.00 O ATOM 702 CB PRO A 37 10.972 13.956 2.666 1.00 0.00 C ATOM 703 CG PRO A 37 10.193 13.432 3.871 1.00 0.00 C ATOM 704 CD PRO A 37 9.590 12.111 3.427 1.00 0.00 C ATOM 705 HA PRO A 37 11.212 12.989 0.757 1.00 0.00 H ATOM 706 HD3 PRO A 37 9.756 11.348 4.188 1.00 0.00 H ATOM 707 HD2 PRO A 37 8.519 12.226 3.257 1.00 0.00 H ATOM 708 HG3 PRO A 37 9.407 14.134 4.151 1.00 0.00 H ATOM 709 HG2 PRO A 37 10.861 13.280 4.719 1.00 0.00 H ATOM 710 HB2 PRO A 37 11.903 14.425 2.985 1.00 0.00 H ATOM 711 HB3 PRO A 37 10.376 14.678 2.108 1.00 0.00 H ATOM 712 N LYS A 38 13.684 12.831 1.496 1.00 0.00 N ATOM 713 CA LYS A 38 15.111 12.456 1.556 1.00 0.00 C ATOM 714 C LYS A 38 15.466 11.193 0.776 1.00 0.00 C ATOM 715 O LYS A 38 16.649 10.958 0.532 1.00 0.00 O ATOM 716 CB LYS A 38 15.649 12.370 3.001 1.00 0.00 C ATOM 717 CG LYS A 38 15.564 13.692 3.771 1.00 0.00 C ATOM 718 CD LYS A 38 16.323 14.790 3.025 1.00 0.00 C ATOM 719 CE LYS A 38 16.492 16.009 3.916 1.00 0.00 C ATOM 720 NZ LYS A 38 17.366 16.994 3.266 1.00 0.00 N ATOM 721 HA LYS A 38 15.616 13.281 1.053 1.00 0.00 H ATOM 722 HB2 LYS A 38 15.070 11.620 3.540 1.00 0.00 H ATOM 723 HB3 LYS A 38 16.694 12.061 2.962 1.00 0.00 H ATOM 724 HG2 LYS A 38 14.518 13.983 3.873 1.00 0.00 H ATOM 725 HG3 LYS A 38 16.001 13.561 4.761 1.00 0.00 H ATOM 726 HD2 LYS A 38 17.305 14.416 2.735 1.00 0.00 H ATOM 727 HD3 LYS A 38 15.765 15.071 2.132 1.00 0.00 H ATOM 728 HE2 LYS A 38 16.935 15.704 4.864 1.00 0.00 H ATOM 729 HE3 LYS A 38 15.516 16.459 4.100 1.00 0.00 H ATOM 730 HZ1 LYS A 38 18.298 16.567 3.092 1.00 0.00 H ATOM 731 HZ2 LYS A 38 16.943 17.288 2.362 1.00 0.00 H ATOM 732 HZ3 LYS A 38 17.473 17.822 3.885 1.00 0.00 H ATOM 733 H LYS A 38 13.450 13.715 1.000 1.00 0.00 H ATOM 734 N ALA A 39 14.481 10.423 0.321 1.00 0.00 N ATOM 735 CA ALA A 39 14.720 9.220 -0.444 1.00 0.00 C ATOM 736 C ALA A 39 15.415 9.557 -1.770 1.00 0.00 C ATOM 737 O ALA A 39 15.412 10.704 -2.223 1.00 0.00 O ATOM 738 CB ALA A 39 13.384 8.522 -0.705 1.00 0.00 C ATOM 739 HA ALA A 39 15.374 8.555 0.120 1.00 0.00 H ATOM 740 HB1 ALA A 39 12.917 8.267 0.246 1.00 0.00 H ATOM 741 HB2 ALA A 39 12.730 9.190 -1.265 1.00 0.00 H ATOM 742 HB3 ALA A 39 13.557 7.613 -1.282 1.00 0.00 H ATOM 743 H ALA A 39 13.499 10.698 0.524 1.00 0.00 H ATOM 744 N ARG A 40 16.012 8.553 -2.404 1.00 0.00 N ATOM 745 CA ARG A 40 16.688 8.654 -3.689 1.00 0.00 C ATOM 746 C ARG A 40 16.278 7.385 -4.404 1.00 0.00 C ATOM 747 O ARG A 40 17.040 6.424 -4.500 1.00 0.00 O ATOM 748 CB ARG A 40 18.199 8.847 -3.505 1.00 0.00 C ATOM 749 CG ARG A 40 18.986 8.925 -4.823 1.00 0.00 C ATOM 750 CD ARG A 40 18.386 9.910 -5.834 1.00 0.00 C ATOM 751 NE ARG A 40 19.393 10.330 -6.821 1.00 0.00 N ATOM 752 CZ ARG A 40 20.051 11.498 -6.877 1.00 0.00 C ATOM 753 NH1 ARG A 40 19.734 12.546 -6.122 1.00 0.00 N ATOM 754 NH2 ARG A 40 21.070 11.631 -7.714 1.00 0.00 N ATOM 755 HA ARG A 40 16.410 9.526 -4.280 1.00 0.00 H ATOM 756 HB2 ARG A 40 18.362 9.773 -2.953 1.00 0.00 H ATOM 757 HB3 ARG A 40 18.584 8.008 -2.925 1.00 0.00 H ATOM 758 HG2 ARG A 40 20.006 9.238 -4.599 1.00 0.00 H ATOM 759 HG3 ARG A 40 19.003 7.933 -5.275 1.00 0.00 H ATOM 760 HD2 ARG A 40 18.019 10.788 -5.302 1.00 0.00 H ATOM 761 HD3 ARG A 40 17.557 9.428 -6.353 1.00 0.00 H ATOM 762 HE ARG A 40 19.622 9.639 -7.564 1.00 0.00 H ATOM 763 HH12 ARG A 40 20.277 13.429 -6.204 1.00 0.00 H ATOM 764 HH11 ARG A 40 18.943 12.482 -5.449 1.00 0.00 H ATOM 765 HH22 ARG A 40 21.587 12.532 -7.765 1.00 0.00 H ATOM 766 HH21 ARG A 40 21.353 10.834 -8.320 1.00 0.00 H ATOM 767 H ARG A 40 15.995 7.620 -1.945 1.00 0.00 H ATOM 768 N VAL A 41 15.008 7.353 -4.792 1.00 0.00 N ATOM 769 CA VAL A 41 14.381 6.239 -5.468 1.00 0.00 C ATOM 770 C VAL A 41 13.558 6.755 -6.655 1.00 0.00 C ATOM 771 O VAL A 41 12.956 7.829 -6.556 1.00 0.00 O ATOM 772 CB VAL A 41 13.505 5.460 -4.448 1.00 0.00 C ATOM 773 CG1 VAL A 41 14.301 4.761 -3.333 1.00 0.00 C ATOM 774 CG2 VAL A 41 12.472 6.364 -3.747 1.00 0.00 C ATOM 775 HA VAL A 41 15.133 5.556 -5.863 1.00 0.00 H ATOM 776 HB VAL A 41 13.017 4.709 -5.069 1.00 0.00 H ATOM 777 HG11 VAL A 41 14.990 4.042 -3.776 1.00 0.00 H ATOM 778 HG12 VAL A 41 14.863 5.505 -2.768 1.00 0.00 H ATOM 779 HG13 VAL A 41 13.612 4.242 -2.667 1.00 0.00 H ATOM 780 HG21 VAL A 41 12.991 7.157 -3.208 1.00 0.00 H ATOM 781 HG22 VAL A 41 11.810 6.803 -4.493 1.00 0.00 H ATOM 782 HG23 VAL A 41 11.887 5.769 -3.045 1.00 0.00 H ATOM 783 H VAL A 41 14.422 8.190 -4.595 1.00 0.00 H ATOM 784 N PRO A 42 13.466 5.997 -7.760 1.00 0.00 N ATOM 785 CA PRO A 42 12.700 6.400 -8.929 1.00 0.00 C ATOM 786 C PRO A 42 11.205 6.316 -8.650 1.00 0.00 C ATOM 787 O PRO A 42 10.755 5.642 -7.712 1.00 0.00 O ATOM 788 CB PRO A 42 13.124 5.452 -10.050 1.00 0.00 C ATOM 789 CG PRO A 42 13.473 4.178 -9.287 1.00 0.00 C ATOM 790 CD PRO A 42 14.113 4.716 -8.008 1.00 0.00 C ATOM 791 HA PRO A 42 12.893 7.437 -9.205 1.00 0.00 H ATOM 792 HD3 PRO A 42 13.938 4.033 -7.177 1.00 0.00 H ATOM 793 HD2 PRO A 42 15.186 4.851 -8.146 1.00 0.00 H ATOM 794 HG3 PRO A 42 14.175 3.563 -9.849 1.00 0.00 H ATOM 795 HG2 PRO A 42 12.579 3.596 -9.064 1.00 0.00 H ATOM 796 HB2 PRO A 42 12.308 5.281 -10.752 1.00 0.00 H ATOM 797 HB3 PRO A 42 13.989 5.839 -10.588 1.00 0.00 H ATOM 798 N ASP A 43 10.431 7.058 -9.433 1.00 0.00 N ATOM 799 CA ASP A 43 8.984 7.086 -9.324 1.00 0.00 C ATOM 800 C ASP A 43 8.392 6.132 -10.349 1.00 0.00 C ATOM 801 O ASP A 43 8.953 5.914 -11.429 1.00 0.00 O ATOM 802 CB ASP A 43 8.416 8.486 -9.582 1.00 0.00 C ATOM 803 CG ASP A 43 8.555 9.415 -8.387 1.00 0.00 C ATOM 804 OD1 ASP A 43 8.292 8.960 -7.249 1.00 0.00 O ATOM 805 OD2 ASP A 43 8.897 10.603 -8.573 1.00 0.00 O ATOM 806 HA ASP A 43 8.722 6.791 -8.308 1.00 0.00 H ATOM 807 HB2 ASP A 43 8.946 8.925 -10.427 1.00 0.00 H ATOM 808 HB3 ASP A 43 7.358 8.392 -9.827 1.00 0.00 H ATOM 809 H ASP A 43 10.884 7.648 -10.160 1.00 0.00 H ATOM 810 N LEU A 44 7.275 5.510 -9.980 1.00 0.00 N ATOM 811 CA LEU A 44 6.510 4.587 -10.805 1.00 0.00 C ATOM 812 C LEU A 44 5.053 5.006 -10.627 1.00 0.00 C ATOM 813 O LEU A 44 4.689 5.584 -9.593 1.00 0.00 O ATOM 814 CB LEU A 44 6.733 3.109 -10.446 1.00 0.00 C ATOM 815 CG LEU A 44 8.148 2.574 -10.755 1.00 0.00 C ATOM 816 CD1 LEU A 44 9.049 2.627 -9.514 1.00 0.00 C ATOM 817 CD2 LEU A 44 8.089 1.117 -11.218 1.00 0.00 C ATOM 818 HA LEU A 44 6.832 4.647 -11.845 1.00 0.00 H ATOM 819 HB2 LEU A 44 6.550 2.988 -9.378 1.00 0.00 H ATOM 820 HB3 LEU A 44 6.014 2.511 -11.007 1.00 0.00 H ATOM 821 HG LEU A 44 8.557 3.209 -11.540 1.00 0.00 H ATOM 822 HD21 LEU A 44 7.645 0.505 -10.433 1.00 0.00 H ATOM 823 HD22 LEU A 44 7.482 1.048 -12.121 1.00 0.00 H ATOM 824 HD23 LEU A 44 9.098 0.763 -11.429 1.00 0.00 H ATOM 825 HD11 LEU A 44 9.135 3.659 -9.173 1.00 0.00 H ATOM 826 HD12 LEU A 44 8.612 2.017 -8.723 1.00 0.00 H ATOM 827 HD13 LEU A 44 10.037 2.243 -9.767 1.00 0.00 H ATOM 828 H LEU A 44 6.919 5.699 -9.021 1.00 0.00 H ATOM 829 N ASP A 45 4.198 4.687 -11.593 1.00 0.00 N ATOM 830 CA ASP A 45 2.788 5.054 -11.535 1.00 0.00 C ATOM 831 C ASP A 45 2.009 4.047 -10.692 1.00 0.00 C ATOM 832 O ASP A 45 1.167 3.290 -11.186 1.00 0.00 O ATOM 833 CB ASP A 45 2.215 5.289 -12.940 1.00 0.00 C ATOM 834 CG ASP A 45 2.920 6.462 -13.619 1.00 0.00 C ATOM 835 OD1 ASP A 45 3.163 7.501 -12.960 1.00 0.00 O ATOM 836 OD2 ASP A 45 3.325 6.321 -14.793 1.00 0.00 O ATOM 837 HA ASP A 45 2.682 6.012 -11.026 1.00 0.00 H ATOM 838 HB2 ASP A 45 2.356 4.390 -13.540 1.00 0.00 H ATOM 839 HB3 ASP A 45 1.150 5.508 -12.861 1.00 0.00 H ATOM 840 H ASP A 45 4.546 4.158 -12.418 1.00 0.00 H ATOM 841 N LYS A 46 2.263 4.063 -9.383 1.00 0.00 N ATOM 842 CA LYS A 46 1.655 3.219 -8.363 1.00 0.00 C ATOM 843 C LYS A 46 1.256 4.094 -7.175 1.00 0.00 C ATOM 844 O LYS A 46 2.109 4.771 -6.592 1.00 0.00 O ATOM 845 CB LYS A 46 2.629 2.091 -7.953 1.00 0.00 C ATOM 846 CG LYS A 46 3.978 2.594 -7.416 1.00 0.00 C ATOM 847 CD LYS A 46 5.041 1.504 -7.250 1.00 0.00 C ATOM 848 CE LYS A 46 6.192 1.990 -6.350 1.00 0.00 C ATOM 849 NZ LYS A 46 6.657 3.355 -6.680 1.00 0.00 N ATOM 850 HA LYS A 46 0.758 2.738 -8.753 1.00 0.00 H ATOM 851 HB2 LYS A 46 2.153 1.492 -7.177 1.00 0.00 H ATOM 852 HB3 LYS A 46 2.819 1.467 -8.827 1.00 0.00 H ATOM 853 HG2 LYS A 46 4.363 3.343 -8.108 1.00 0.00 H ATOM 854 HG3 LYS A 46 3.807 3.055 -6.443 1.00 0.00 H ATOM 855 HD2 LYS A 46 4.582 0.624 -6.799 1.00 0.00 H ATOM 856 HD3 LYS A 46 5.440 1.242 -8.230 1.00 0.00 H ATOM 857 HE2 LYS A 46 7.031 1.303 -6.459 1.00 0.00 H ATOM 858 HE3 LYS A 46 5.850 1.982 -5.315 1.00 0.00 H ATOM 859 HZ1 LYS A 46 6.997 3.376 -7.663 1.00 0.00 H ATOM 860 HZ2 LYS A 46 5.869 4.024 -6.570 1.00 0.00 H ATOM 861 HZ3 LYS A 46 7.431 3.621 -6.038 1.00 0.00 H ATOM 862 H LYS A 46 2.970 4.751 -9.055 1.00 0.00 H ATOM 863 N ARG A 47 -0.038 4.135 -6.858 1.00 0.00 N ATOM 864 CA ARG A 47 -0.565 4.901 -5.728 1.00 0.00 C ATOM 865 C ARG A 47 -1.411 3.981 -4.856 1.00 0.00 C ATOM 866 O ARG A 47 -1.142 3.835 -3.668 1.00 0.00 O ATOM 867 CB ARG A 47 -1.315 6.147 -6.239 1.00 0.00 C ATOM 868 CG ARG A 47 -0.346 7.278 -6.629 1.00 0.00 C ATOM 869 CD ARG A 47 0.176 8.014 -5.392 1.00 0.00 C ATOM 870 NE ARG A 47 1.246 8.975 -5.716 1.00 0.00 N ATOM 871 CZ ARG A 47 1.585 10.006 -4.925 1.00 0.00 C ATOM 872 NH1 ARG A 47 0.964 10.215 -3.768 1.00 0.00 N ATOM 873 NH2 ARG A 47 2.536 10.860 -5.296 1.00 0.00 N ATOM 874 HA ARG A 47 0.241 5.278 -5.099 1.00 0.00 H ATOM 875 HB2 ARG A 47 -1.905 5.870 -7.113 1.00 0.00 H ATOM 876 HB3 ARG A 47 -1.979 6.506 -5.453 1.00 0.00 H ATOM 877 HG2 ARG A 47 0.498 6.852 -7.171 1.00 0.00 H ATOM 878 HG3 ARG A 47 -0.868 7.988 -7.271 1.00 0.00 H ATOM 879 HD2 ARG A 47 0.567 7.280 -4.687 1.00 0.00 H ATOM 880 HD3 ARG A 47 -0.651 8.554 -4.931 1.00 0.00 H ATOM 881 HE ARG A 47 1.767 8.847 -6.607 1.00 0.00 H ATOM 882 HH12 ARG A 47 1.239 11.018 -3.168 1.00 0.00 H ATOM 883 HH11 ARG A 47 0.203 9.575 -3.463 1.00 0.00 H ATOM 884 HH22 ARG A 47 2.791 11.655 -4.676 1.00 0.00 H ATOM 885 HH21 ARG A 47 3.024 10.732 -6.206 1.00 0.00 H ATOM 886 H ARG A 47 -0.707 3.595 -7.443 1.00 0.00 H ATOM 887 N LYS A 48 -2.364 3.259 -5.457 1.00 0.00 N ATOM 888 CA LYS A 48 -3.242 2.327 -4.749 1.00 0.00 C ATOM 889 C LYS A 48 -3.014 0.946 -5.332 1.00 0.00 C ATOM 890 O LYS A 48 -3.199 0.746 -6.537 1.00 0.00 O ATOM 891 CB LYS A 48 -4.726 2.741 -4.820 1.00 0.00 C ATOM 892 CG LYS A 48 -5.162 3.485 -6.098 1.00 0.00 C ATOM 893 CD LYS A 48 -4.960 5.013 -5.992 1.00 0.00 C ATOM 894 CE LYS A 48 -6.212 5.793 -5.567 1.00 0.00 C ATOM 895 NZ LYS A 48 -6.877 5.219 -4.382 1.00 0.00 N ATOM 896 HA LYS A 48 -2.996 2.333 -3.687 1.00 0.00 H ATOM 897 HB2 LYS A 48 -5.329 1.836 -4.739 1.00 0.00 H ATOM 898 HB3 LYS A 48 -4.932 3.391 -3.969 1.00 0.00 H ATOM 899 HG2 LYS A 48 -4.575 3.112 -6.937 1.00 0.00 H ATOM 900 HG3 LYS A 48 -6.218 3.283 -6.277 1.00 0.00 H ATOM 901 HD2 LYS A 48 -4.175 5.203 -5.260 1.00 0.00 H ATOM 902 HD3 LYS A 48 -4.643 5.383 -6.967 1.00 0.00 H ATOM 903 HE2 LYS A 48 -6.919 5.793 -6.396 1.00 0.00 H ATOM 904 HE3 LYS A 48 -5.921 6.819 -5.339 1.00 0.00 H ATOM 905 HZ1 LYS A 48 -7.169 4.242 -4.589 1.00 0.00 H ATOM 906 HZ2 LYS A 48 -6.216 5.222 -3.579 1.00 0.00 H ATOM 907 HZ3 LYS A 48 -7.714 5.789 -4.145 1.00 0.00 H ATOM 908 H LYS A 48 -2.487 3.366 -6.484 1.00 0.00 H ATOM 909 N TYR A 49 -2.657 0.003 -4.466 1.00 0.00 N ATOM 910 CA TYR A 49 -2.370 -1.378 -4.823 1.00 0.00 C ATOM 911 C TYR A 49 -3.155 -2.345 -3.935 1.00 0.00 C ATOM 912 O TYR A 49 -3.726 -1.944 -2.915 1.00 0.00 O ATOM 913 CB TYR A 49 -0.846 -1.613 -4.734 1.00 0.00 C ATOM 914 CG TYR A 49 -0.134 -1.610 -6.078 1.00 0.00 C ATOM 915 CD1 TYR A 49 -0.062 -0.440 -6.857 1.00 0.00 C ATOM 916 CD2 TYR A 49 0.438 -2.798 -6.569 1.00 0.00 C ATOM 917 CE1 TYR A 49 0.540 -0.470 -8.128 1.00 0.00 C ATOM 918 CE2 TYR A 49 1.075 -2.825 -7.821 1.00 0.00 C ATOM 919 CZ TYR A 49 1.125 -1.659 -8.614 1.00 0.00 C ATOM 920 OH TYR A 49 1.771 -1.687 -9.812 1.00 0.00 O ATOM 921 HA TYR A 49 -2.690 -1.569 -5.847 1.00 0.00 H ATOM 922 HB3 TYR A 49 -0.676 -2.579 -4.259 1.00 0.00 H ATOM 923 HB2 TYR A 49 -0.414 -0.825 -4.117 1.00 0.00 H ATOM 924 HD2 TYR A 49 0.386 -3.708 -5.971 1.00 0.00 H ATOM 925 HE2 TYR A 49 1.531 -3.748 -8.180 1.00 0.00 H ATOM 926 HE1 TYR A 49 0.555 0.431 -8.742 1.00 0.00 H ATOM 927 HD1 TYR A 49 -0.474 0.493 -6.474 1.00 0.00 H ATOM 928 HH TYR A 49 1.713 -0.795 -10.238 1.00 0.00 H ATOM 929 H TYR A 49 -2.577 0.271 -3.464 1.00 0.00 H ATOM 930 N LEU A 50 -3.163 -3.625 -4.308 1.00 0.00 N ATOM 931 CA LEU A 50 -3.828 -4.713 -3.600 1.00 0.00 C ATOM 932 C LEU A 50 -2.838 -5.871 -3.539 1.00 0.00 C ATOM 933 O LEU A 50 -2.393 -6.330 -4.592 1.00 0.00 O ATOM 934 CB LEU A 50 -5.130 -5.132 -4.312 1.00 0.00 C ATOM 935 CG LEU A 50 -6.236 -5.369 -3.279 1.00 0.00 C ATOM 936 CD1 LEU A 50 -6.906 -4.046 -2.917 1.00 0.00 C ATOM 937 CD2 LEU A 50 -7.301 -6.323 -3.803 1.00 0.00 C ATOM 938 HA LEU A 50 -4.116 -4.398 -2.597 1.00 0.00 H ATOM 939 HB2 LEU A 50 -5.438 -4.342 -4.997 1.00 0.00 H ATOM 940 HB3 LEU A 50 -4.956 -6.050 -4.873 1.00 0.00 H ATOM 941 HG LEU A 50 -5.768 -5.813 -2.400 1.00 0.00 H ATOM 942 HD21 LEU A 50 -7.754 -5.902 -4.701 1.00 0.00 H ATOM 943 HD22 LEU A 50 -6.842 -7.282 -4.041 1.00 0.00 H ATOM 944 HD23 LEU A 50 -8.067 -6.465 -3.041 1.00 0.00 H ATOM 945 HD11 LEU A 50 -6.163 -3.367 -2.498 1.00 0.00 H ATOM 946 HD12 LEU A 50 -7.341 -3.603 -3.813 1.00 0.00 H ATOM 947 HD13 LEU A 50 -7.690 -4.227 -2.182 1.00 0.00 H ATOM 948 H LEU A 50 -2.651 -3.869 -5.180 1.00 0.00 H ATOM 949 N VAL A 51 -2.477 -6.334 -2.342 1.00 0.00 N ATOM 950 CA VAL A 51 -1.511 -7.426 -2.155 1.00 0.00 C ATOM 951 C VAL A 51 -2.147 -8.573 -1.359 1.00 0.00 C ATOM 952 O VAL A 51 -3.079 -8.299 -0.608 1.00 0.00 O ATOM 953 CB VAL A 51 -0.242 -6.876 -1.454 1.00 0.00 C ATOM 954 CG1 VAL A 51 0.329 -5.635 -2.165 1.00 0.00 C ATOM 955 CG2 VAL A 51 -0.482 -6.505 0.016 1.00 0.00 C ATOM 956 HA VAL A 51 -1.220 -7.828 -3.125 1.00 0.00 H ATOM 957 HB VAL A 51 0.473 -7.697 -1.506 1.00 0.00 H ATOM 958 HG11 VAL A 51 0.595 -5.895 -3.189 1.00 0.00 H ATOM 959 HG12 VAL A 51 -0.422 -4.845 -2.173 1.00 0.00 H ATOM 960 HG13 VAL A 51 1.216 -5.290 -1.634 1.00 0.00 H ATOM 961 HG21 VAL A 51 -1.253 -5.736 0.074 1.00 0.00 H ATOM 962 HG22 VAL A 51 -0.807 -7.389 0.564 1.00 0.00 H ATOM 963 HG23 VAL A 51 0.444 -6.127 0.450 1.00 0.00 H ATOM 964 H VAL A 51 -2.901 -5.900 -1.497 1.00 0.00 H ATOM 965 N PRO A 52 -1.691 -9.831 -1.495 1.00 0.00 N ATOM 966 CA PRO A 52 -2.242 -10.959 -0.746 1.00 0.00 C ATOM 967 C PRO A 52 -1.801 -10.861 0.721 1.00 0.00 C ATOM 968 O PRO A 52 -0.712 -10.357 1.011 1.00 0.00 O ATOM 969 CB PRO A 52 -1.691 -12.207 -1.437 1.00 0.00 C ATOM 970 CG PRO A 52 -0.340 -11.723 -1.937 1.00 0.00 C ATOM 971 CD PRO A 52 -0.606 -10.279 -2.356 1.00 0.00 C ATOM 972 HA PRO A 52 -3.332 -10.980 -0.737 1.00 0.00 H ATOM 973 HD3 PRO A 52 0.282 -9.666 -2.204 1.00 0.00 H ATOM 974 HD2 PRO A 52 -0.903 -10.232 -3.404 1.00 0.00 H ATOM 975 HG3 PRO A 52 -0.003 -12.319 -2.785 1.00 0.00 H ATOM 976 HG2 PRO A 52 0.407 -11.767 -1.144 1.00 0.00 H ATOM 977 HB2 PRO A 52 -1.581 -13.033 -0.734 1.00 0.00 H ATOM 978 HB3 PRO A 52 -2.331 -12.518 -2.263 1.00 0.00 H ATOM 979 N SER A 53 -2.625 -11.340 1.653 1.00 0.00 N ATOM 980 CA SER A 53 -2.299 -11.284 3.079 1.00 0.00 C ATOM 981 C SER A 53 -1.157 -12.235 3.482 1.00 0.00 C ATOM 982 O SER A 53 -0.332 -11.915 4.335 1.00 0.00 O ATOM 983 CB SER A 53 -3.571 -11.587 3.886 1.00 0.00 C ATOM 984 OG SER A 53 -4.295 -12.714 3.405 1.00 0.00 O ATOM 985 HA SER A 53 -1.936 -10.280 3.299 1.00 0.00 H ATOM 986 HB2 SER A 53 -4.223 -10.714 3.843 1.00 0.00 H ATOM 987 HB3 SER A 53 -3.286 -11.776 4.921 1.00 0.00 H ATOM 988 HG SER A 53 -4.570 -12.553 2.468 1.00 0.00 H ATOM 989 H SER A 53 -3.527 -11.766 1.358 1.00 0.00 H ATOM 990 N ASP A 54 -1.054 -13.383 2.825 1.00 0.00 N ATOM 991 CA ASP A 54 -0.065 -14.428 3.099 1.00 0.00 C ATOM 992 C ASP A 54 1.361 -14.115 2.640 1.00 0.00 C ATOM 993 O ASP A 54 2.267 -14.912 2.899 1.00 0.00 O ATOM 994 CB ASP A 54 -0.543 -15.729 2.442 1.00 0.00 C ATOM 995 CG ASP A 54 -1.855 -16.197 3.046 1.00 0.00 C ATOM 996 OD1 ASP A 54 -1.872 -16.563 4.239 1.00 0.00 O ATOM 997 OD2 ASP A 54 -2.878 -16.105 2.329 1.00 0.00 O ATOM 998 HA ASP A 54 0.000 -14.511 4.184 1.00 0.00 H ATOM 999 HB2 ASP A 54 -0.683 -15.558 1.375 1.00 0.00 H ATOM 1000 HB3 ASP A 54 0.212 -16.501 2.589 1.00 0.00 H ATOM 1001 H ASP A 54 -1.730 -13.555 2.053 1.00 0.00 H ATOM 1002 N LEU A 55 1.601 -13.002 1.950 1.00 0.00 N ATOM 1003 CA LEU A 55 2.935 -12.648 1.473 1.00 0.00 C ATOM 1004 C LEU A 55 3.845 -12.201 2.617 1.00 0.00 C ATOM 1005 O LEU A 55 3.515 -11.284 3.369 1.00 0.00 O ATOM 1006 CB LEU A 55 2.801 -11.562 0.402 1.00 0.00 C ATOM 1007 CG LEU A 55 4.121 -11.057 -0.200 1.00 0.00 C ATOM 1008 CD1 LEU A 55 4.901 -12.177 -0.899 1.00 0.00 C ATOM 1009 CD2 LEU A 55 3.791 -9.966 -1.225 1.00 0.00 C ATOM 1010 HA LEU A 55 3.406 -13.529 1.037 1.00 0.00 H ATOM 1011 HB2 LEU A 55 2.194 -11.964 -0.409 1.00 0.00 H ATOM 1012 HB3 LEU A 55 2.289 -10.710 0.850 1.00 0.00 H ATOM 1013 HG LEU A 55 4.745 -10.674 0.608 1.00 0.00 H ATOM 1014 HD21 LEU A 55 3.157 -10.384 -2.007 1.00 0.00 H ATOM 1015 HD22 LEU A 55 3.267 -9.149 -0.728 1.00 0.00 H ATOM 1016 HD23 LEU A 55 4.715 -9.592 -1.666 1.00 0.00 H ATOM 1017 HD11 LEU A 55 5.133 -12.961 -0.178 1.00 0.00 H ATOM 1018 HD12 LEU A 55 4.296 -12.591 -1.705 1.00 0.00 H ATOM 1019 HD13 LEU A 55 5.826 -11.772 -1.309 1.00 0.00 H ATOM 1020 H LEU A 55 0.809 -12.361 1.743 1.00 0.00 H ATOM 1021 N THR A 56 5.010 -12.830 2.736 1.00 0.00 N ATOM 1022 CA THR A 56 6.007 -12.523 3.752 1.00 0.00 C ATOM 1023 C THR A 56 6.609 -11.142 3.438 1.00 0.00 C ATOM 1024 O THR A 56 6.898 -10.831 2.281 1.00 0.00 O ATOM 1025 CB THR A 56 7.023 -13.677 3.791 1.00 0.00 C ATOM 1026 OG1 THR A 56 6.322 -14.905 3.858 1.00 0.00 O ATOM 1027 CG2 THR A 56 7.942 -13.619 5.009 1.00 0.00 C ATOM 1028 HA THR A 56 5.587 -12.450 4.755 1.00 0.00 H ATOM 1029 HB THR A 56 7.631 -13.590 2.891 1.00 0.00 H ATOM 1030 HG1 THR A 56 6.970 -15.653 3.883 1.00 0.00 H ATOM 1031 HG23 THR A 56 8.503 -12.684 4.995 1.00 0.00 H ATOM 1032 HG21 THR A 56 7.342 -13.671 5.918 1.00 0.00 H ATOM 1033 HG22 THR A 56 8.635 -14.460 4.980 1.00 0.00 H ATOM 1034 H THR A 56 5.223 -13.591 2.060 1.00 0.00 H ATOM 1035 N VAL A 57 6.818 -10.314 4.463 1.00 0.00 N ATOM 1036 CA VAL A 57 7.362 -8.963 4.364 1.00 0.00 C ATOM 1037 C VAL A 57 8.692 -8.963 3.598 1.00 0.00 C ATOM 1038 O VAL A 57 8.886 -8.121 2.722 1.00 0.00 O ATOM 1039 CB VAL A 57 7.482 -8.354 5.780 1.00 0.00 C ATOM 1040 CG1 VAL A 57 8.148 -6.975 5.768 1.00 0.00 C ATOM 1041 CG2 VAL A 57 6.123 -8.136 6.458 1.00 0.00 C ATOM 1042 HA VAL A 57 6.684 -8.332 3.789 1.00 0.00 H ATOM 1043 HB VAL A 57 8.079 -9.086 6.324 1.00 0.00 H ATOM 1044 HG11 VAL A 57 9.152 -7.061 5.352 1.00 0.00 H ATOM 1045 HG12 VAL A 57 7.557 -6.293 5.157 1.00 0.00 H ATOM 1046 HG13 VAL A 57 8.207 -6.593 6.787 1.00 0.00 H ATOM 1047 HG21 VAL A 57 5.522 -7.455 5.855 1.00 0.00 H ATOM 1048 HG22 VAL A 57 5.607 -9.092 6.551 1.00 0.00 H ATOM 1049 HG23 VAL A 57 6.277 -7.707 7.448 1.00 0.00 H ATOM 1050 H VAL A 57 6.573 -10.660 5.413 1.00 0.00 H ATOM 1051 N GLY A 58 9.595 -9.914 3.858 1.00 0.00 N ATOM 1052 CA GLY A 58 10.879 -9.975 3.164 1.00 0.00 C ATOM 1053 C GLY A 58 10.701 -10.145 1.654 1.00 0.00 C ATOM 1054 O GLY A 58 11.402 -9.496 0.874 1.00 0.00 O ATOM 1055 HA3 GLY A 58 11.449 -10.820 3.550 1.00 0.00 H ATOM 1056 HA2 GLY A 58 11.427 -9.052 3.353 1.00 0.00 H ATOM 1057 H GLY A 58 9.376 -10.633 4.577 1.00 0.00 H ATOM 1058 N GLN A 59 9.771 -11.020 1.242 1.00 0.00 N ATOM 1059 CA GLN A 59 9.461 -11.280 -0.160 1.00 0.00 C ATOM 1060 C GLN A 59 8.867 -10.012 -0.774 1.00 0.00 C ATOM 1061 O GLN A 59 9.326 -9.586 -1.837 1.00 0.00 O ATOM 1062 CB GLN A 59 8.470 -12.449 -0.283 1.00 0.00 C ATOM 1063 CG GLN A 59 9.083 -13.819 0.033 1.00 0.00 C ATOM 1064 CD GLN A 59 9.935 -14.348 -1.117 1.00 0.00 C ATOM 1065 OE1 GLN A 59 9.459 -14.531 -2.236 1.00 0.00 O ATOM 1066 NE2 GLN A 59 11.202 -14.642 -0.898 1.00 0.00 N ATOM 1067 HA GLN A 59 10.372 -11.554 -0.692 1.00 0.00 H ATOM 1068 HB2 GLN A 59 7.645 -12.274 0.408 1.00 0.00 H ATOM 1069 HB3 GLN A 59 8.089 -12.470 -1.304 1.00 0.00 H ATOM 1070 HG2 GLN A 59 9.709 -13.728 0.921 1.00 0.00 H ATOM 1071 HG3 GLN A 59 8.278 -14.527 0.229 1.00 0.00 H ATOM 1072 HE22 GLN A 59 11.615 -14.491 0.044 1.00 0.00 H ATOM 1073 HE21 GLN A 59 11.788 -15.024 -1.668 1.00 0.00 H ATOM 1074 H GLN A 59 9.239 -11.545 1.965 1.00 0.00 H ATOM 1075 N PHE A 60 7.917 -9.370 -0.090 1.00 0.00 N ATOM 1076 CA PHE A 60 7.268 -8.151 -0.558 1.00 0.00 C ATOM 1077 C PHE A 60 8.324 -7.068 -0.797 1.00 0.00 C ATOM 1078 O PHE A 60 8.353 -6.462 -1.873 1.00 0.00 O ATOM 1079 CB PHE A 60 6.235 -7.714 0.497 1.00 0.00 C ATOM 1080 CG PHE A 60 5.799 -6.266 0.414 1.00 0.00 C ATOM 1081 CD1 PHE A 60 5.209 -5.774 -0.763 1.00 0.00 C ATOM 1082 CD2 PHE A 60 6.020 -5.402 1.504 1.00 0.00 C ATOM 1083 CE1 PHE A 60 4.840 -4.421 -0.846 1.00 0.00 C ATOM 1084 CE2 PHE A 60 5.648 -4.049 1.418 1.00 0.00 C ATOM 1085 CZ PHE A 60 5.054 -3.562 0.243 1.00 0.00 C ATOM 1086 HA PHE A 60 6.752 -8.323 -1.503 1.00 0.00 H ATOM 1087 HB2 PHE A 60 5.350 -8.340 0.382 1.00 0.00 H ATOM 1088 HB3 PHE A 60 6.669 -7.879 1.483 1.00 0.00 H ATOM 1089 HD2 PHE A 60 6.480 -5.783 2.416 1.00 0.00 H ATOM 1090 HE2 PHE A 60 5.820 -3.380 2.261 1.00 0.00 H ATOM 1091 HZ PHE A 60 4.758 -2.515 0.176 1.00 0.00 H ATOM 1092 HE1 PHE A 60 4.386 -4.037 -1.759 1.00 0.00 H ATOM 1093 HD1 PHE A 60 5.038 -6.440 -1.609 1.00 0.00 H ATOM 1094 H PHE A 60 7.623 -9.761 0.828 1.00 0.00 H ATOM 1095 N TYR A 61 9.243 -6.882 0.155 1.00 0.00 N ATOM 1096 CA TYR A 61 10.312 -5.901 0.042 1.00 0.00 C ATOM 1097 C TYR A 61 11.156 -6.216 -1.190 1.00 0.00 C ATOM 1098 O TYR A 61 11.493 -5.302 -1.941 1.00 0.00 O ATOM 1099 CB TYR A 61 11.208 -5.924 1.290 1.00 0.00 C ATOM 1100 CG TYR A 61 10.697 -5.276 2.566 1.00 0.00 C ATOM 1101 CD1 TYR A 61 9.387 -4.766 2.686 1.00 0.00 C ATOM 1102 CD2 TYR A 61 11.577 -5.192 3.662 1.00 0.00 C ATOM 1103 CE1 TYR A 61 8.952 -4.212 3.902 1.00 0.00 C ATOM 1104 CE2 TYR A 61 11.152 -4.633 4.878 1.00 0.00 C ATOM 1105 CZ TYR A 61 9.829 -4.158 5.008 1.00 0.00 C ATOM 1106 OH TYR A 61 9.399 -3.630 6.186 1.00 0.00 O ATOM 1107 HA TYR A 61 9.868 -4.910 -0.049 1.00 0.00 H ATOM 1108 HB3 TYR A 61 12.139 -5.423 1.026 1.00 0.00 H ATOM 1109 HB2 TYR A 61 11.412 -6.970 1.520 1.00 0.00 H ATOM 1110 HD2 TYR A 61 12.597 -5.564 3.566 1.00 0.00 H ATOM 1111 HE2 TYR A 61 11.842 -4.566 5.719 1.00 0.00 H ATOM 1112 HE1 TYR A 61 7.937 -3.824 3.992 1.00 0.00 H ATOM 1113 HD1 TYR A 61 8.710 -4.802 1.833 1.00 0.00 H ATOM 1114 HH TYR A 61 8.453 -3.351 6.096 1.00 0.00 H ATOM 1115 H TYR A 61 9.192 -7.464 1.015 1.00 0.00 H ATOM 1116 N PHE A 62 11.483 -7.493 -1.416 1.00 0.00 N ATOM 1117 CA PHE A 62 12.288 -7.894 -2.557 1.00 0.00 C ATOM 1118 C PHE A 62 11.598 -7.544 -3.869 1.00 0.00 C ATOM 1119 O PHE A 62 12.233 -6.988 -4.765 1.00 0.00 O ATOM 1120 CB PHE A 62 12.636 -9.387 -2.524 1.00 0.00 C ATOM 1121 CG PHE A 62 13.822 -9.649 -3.424 1.00 0.00 C ATOM 1122 CD1 PHE A 62 13.658 -9.732 -4.822 1.00 0.00 C ATOM 1123 CD2 PHE A 62 15.113 -9.638 -2.873 1.00 0.00 C ATOM 1124 CE1 PHE A 62 14.783 -9.780 -5.662 1.00 0.00 C ATOM 1125 CE2 PHE A 62 16.232 -9.712 -3.712 1.00 0.00 C ATOM 1126 CZ PHE A 62 16.073 -9.782 -5.104 1.00 0.00 C ATOM 1127 HA PHE A 62 13.221 -7.334 -2.492 1.00 0.00 H ATOM 1128 HB2 PHE A 62 12.882 -9.680 -1.504 1.00 0.00 H ATOM 1129 HB3 PHE A 62 11.781 -9.967 -2.871 1.00 0.00 H ATOM 1130 HD2 PHE A 62 15.245 -9.572 -1.793 1.00 0.00 H ATOM 1131 HE2 PHE A 62 17.233 -9.715 -3.281 1.00 0.00 H ATOM 1132 HZ PHE A 62 16.948 -9.838 -5.752 1.00 0.00 H ATOM 1133 HE1 PHE A 62 14.656 -9.816 -6.744 1.00 0.00 H ATOM 1134 HD1 PHE A 62 12.657 -9.759 -5.252 1.00 0.00 H ATOM 1135 H PHE A 62 11.150 -8.222 -0.754 1.00 0.00 H ATOM 1136 N LEU A 63 10.308 -7.863 -4.006 1.00 0.00 N ATOM 1137 CA LEU A 63 9.580 -7.569 -5.234 1.00 0.00 C ATOM 1138 C LEU A 63 9.674 -6.079 -5.530 1.00 0.00 C ATOM 1139 O LEU A 63 10.020 -5.718 -6.657 1.00 0.00 O ATOM 1140 CB LEU A 63 8.115 -8.049 -5.192 1.00 0.00 C ATOM 1141 CG LEU A 63 7.859 -9.494 -5.672 1.00 0.00 C ATOM 1142 CD1 LEU A 63 8.448 -9.792 -7.058 1.00 0.00 C ATOM 1143 CD2 LEU A 63 8.342 -10.556 -4.681 1.00 0.00 C ATOM 1144 HA LEU A 63 10.047 -8.128 -6.045 1.00 0.00 H ATOM 1145 HB2 LEU A 63 7.769 -7.974 -4.161 1.00 0.00 H ATOM 1146 HB3 LEU A 63 7.527 -7.380 -5.820 1.00 0.00 H ATOM 1147 HG LEU A 63 6.773 -9.554 -5.742 1.00 0.00 H ATOM 1148 HD21 LEU A 63 9.415 -10.446 -4.527 1.00 0.00 H ATOM 1149 HD22 LEU A 63 7.822 -10.428 -3.731 1.00 0.00 H ATOM 1150 HD23 LEU A 63 8.131 -11.548 -5.081 1.00 0.00 H ATOM 1151 HD11 LEU A 63 8.004 -9.120 -7.792 1.00 0.00 H ATOM 1152 HD12 LEU A 63 9.527 -9.642 -7.033 1.00 0.00 H ATOM 1153 HD13 LEU A 63 8.230 -10.825 -7.330 1.00 0.00 H ATOM 1154 H LEU A 63 9.813 -8.331 -3.220 1.00 0.00 H ATOM 1155 N ILE A 64 9.415 -5.211 -4.548 1.00 0.00 N ATOM 1156 CA ILE A 64 9.498 -3.768 -4.765 1.00 0.00 C ATOM 1157 C ILE A 64 10.956 -3.351 -5.033 1.00 0.00 C ATOM 1158 O ILE A 64 11.167 -2.518 -5.908 1.00 0.00 O ATOM 1159 CB ILE A 64 8.799 -3.001 -3.622 1.00 0.00 C ATOM 1160 CG1 ILE A 64 7.332 -3.449 -3.404 1.00 0.00 C ATOM 1161 CG2 ILE A 64 8.823 -1.484 -3.883 1.00 0.00 C ATOM 1162 CD1 ILE A 64 6.470 -3.565 -4.671 1.00 0.00 C ATOM 1163 HA ILE A 64 8.948 -3.492 -5.664 1.00 0.00 H ATOM 1164 HB ILE A 64 9.361 -3.235 -2.718 1.00 0.00 H ATOM 1165 HG12 ILE A 64 7.349 -4.426 -2.921 1.00 0.00 H ATOM 1166 HG13 ILE A 64 6.857 -2.726 -2.741 1.00 0.00 H ATOM 1167 HD11 ILE A 64 6.422 -2.595 -5.166 1.00 0.00 H ATOM 1168 HD12 ILE A 64 6.914 -4.297 -5.346 1.00 0.00 H ATOM 1169 HD13 ILE A 64 5.465 -3.885 -4.397 1.00 0.00 H ATOM 1170 HG21 ILE A 64 9.857 -1.145 -3.952 1.00 0.00 H ATOM 1171 HG22 ILE A 64 8.305 -1.269 -4.818 1.00 0.00 H ATOM 1172 HG23 ILE A 64 8.324 -0.968 -3.063 1.00 0.00 H ATOM 1173 H ILE A 64 9.149 -5.570 -3.609 1.00 0.00 H ATOM 1174 N ARG A 65 11.968 -3.923 -4.361 1.00 0.00 N ATOM 1175 CA ARG A 65 13.381 -3.581 -4.601 1.00 0.00 C ATOM 1176 C ARG A 65 13.693 -3.811 -6.078 1.00 0.00 C ATOM 1177 O ARG A 65 14.165 -2.905 -6.769 1.00 0.00 O ATOM 1178 CB ARG A 65 14.316 -4.466 -3.755 1.00 0.00 C ATOM 1179 CG ARG A 65 14.525 -3.995 -2.314 1.00 0.00 C ATOM 1180 CD ARG A 65 15.279 -5.069 -1.518 1.00 0.00 C ATOM 1181 NE ARG A 65 16.058 -4.472 -0.425 1.00 0.00 N ATOM 1182 CZ ARG A 65 16.325 -5.010 0.771 1.00 0.00 C ATOM 1183 NH1 ARG A 65 15.788 -6.163 1.169 1.00 0.00 N ATOM 1184 NH2 ARG A 65 17.177 -4.375 1.564 1.00 0.00 N ATOM 1185 HA ARG A 65 13.542 -2.539 -4.323 1.00 0.00 H ATOM 1186 HB2 ARG A 65 13.895 -5.471 -3.725 1.00 0.00 H ATOM 1187 HB3 ARG A 65 15.289 -4.496 -4.246 1.00 0.00 H ATOM 1188 HG2 ARG A 65 15.105 -3.072 -2.316 1.00 0.00 H ATOM 1189 HG3 ARG A 65 13.556 -3.813 -1.849 1.00 0.00 H ATOM 1190 HD2 ARG A 65 15.955 -5.599 -2.188 1.00 0.00 H ATOM 1191 HD3 ARG A 65 14.559 -5.772 -1.099 1.00 0.00 H ATOM 1192 HE ARG A 65 16.446 -3.523 -0.601 1.00 0.00 H ATOM 1193 HH12 ARG A 65 16.020 -6.549 2.106 1.00 0.00 H ATOM 1194 HH11 ARG A 65 15.137 -6.677 0.542 1.00 0.00 H ATOM 1195 HH22 ARG A 65 17.406 -4.766 2.500 1.00 0.00 H ATOM 1196 HH21 ARG A 65 17.616 -3.486 1.250 1.00 0.00 H ATOM 1197 H ARG A 65 11.745 -4.638 -3.640 1.00 0.00 H ATOM 1198 N LYS A 66 13.359 -5.003 -6.584 1.00 0.00 N ATOM 1199 CA LYS A 66 13.579 -5.358 -7.979 1.00 0.00 C ATOM 1200 C LYS A 66 12.750 -4.443 -8.882 1.00 0.00 C ATOM 1201 O LYS A 66 13.235 -4.036 -9.932 1.00 0.00 O ATOM 1202 CB LYS A 66 13.256 -6.851 -8.178 1.00 0.00 C ATOM 1203 CG LYS A 66 13.522 -7.325 -9.615 1.00 0.00 C ATOM 1204 CD LYS A 66 13.487 -8.858 -9.686 1.00 0.00 C ATOM 1205 CE LYS A 66 13.477 -9.400 -11.121 1.00 0.00 C ATOM 1206 NZ LYS A 66 14.649 -8.979 -11.910 1.00 0.00 N ATOM 1207 HA LYS A 66 14.623 -5.211 -8.255 1.00 0.00 H ATOM 1208 HB2 LYS A 66 13.874 -7.436 -7.497 1.00 0.00 H ATOM 1209 HB3 LYS A 66 12.204 -7.015 -7.945 1.00 0.00 H ATOM 1210 HG2 LYS A 66 12.757 -6.917 -10.276 1.00 0.00 H ATOM 1211 HG3 LYS A 66 14.503 -6.972 -9.934 1.00 0.00 H ATOM 1212 HD2 LYS A 66 14.367 -9.248 -9.175 1.00 0.00 H ATOM 1213 HD3 LYS A 66 12.588 -9.208 -9.178 1.00 0.00 H ATOM 1214 HE2 LYS A 66 12.577 -9.042 -11.620 1.00 0.00 H ATOM 1215 HE3 LYS A 66 13.460 -10.489 -11.080 1.00 0.00 H ATOM 1216 HZ1 LYS A 66 14.673 -7.941 -11.966 1.00 0.00 H ATOM 1217 HZ2 LYS A 66 15.516 -9.322 -11.450 1.00 0.00 H ATOM 1218 HZ3 LYS A 66 14.582 -9.378 -12.868 1.00 0.00 H ATOM 1219 H LYS A 66 12.923 -5.707 -5.954 1.00 0.00 H ATOM 1220 N ARG A 67 11.533 -4.066 -8.471 1.00 0.00 N ATOM 1221 CA ARG A 67 10.653 -3.197 -9.253 1.00 0.00 C ATOM 1222 C ARG A 67 11.299 -1.824 -9.465 1.00 0.00 C ATOM 1223 O ARG A 67 11.224 -1.299 -10.572 1.00 0.00 O ATOM 1224 CB ARG A 67 9.279 -3.065 -8.566 1.00 0.00 C ATOM 1225 CG ARG A 67 8.143 -2.518 -9.447 1.00 0.00 C ATOM 1226 CD ARG A 67 7.321 -3.609 -10.153 1.00 0.00 C ATOM 1227 NE ARG A 67 8.024 -4.199 -11.300 1.00 0.00 N ATOM 1228 CZ ARG A 67 7.479 -4.897 -12.301 1.00 0.00 C ATOM 1229 NH1 ARG A 67 6.181 -5.175 -12.309 1.00 0.00 N ATOM 1230 NH2 ARG A 67 8.252 -5.313 -13.297 1.00 0.00 N ATOM 1231 HA ARG A 67 10.499 -3.649 -10.233 1.00 0.00 H ATOM 1232 HB2 ARG A 67 8.984 -4.053 -8.214 1.00 0.00 H ATOM 1233 HB3 ARG A 67 9.394 -2.396 -7.713 1.00 0.00 H ATOM 1234 HG2 ARG A 67 7.471 -1.935 -8.818 1.00 0.00 H ATOM 1235 HG3 ARG A 67 8.580 -1.871 -10.208 1.00 0.00 H ATOM 1236 HD2 ARG A 67 6.388 -3.169 -10.505 1.00 0.00 H ATOM 1237 HD3 ARG A 67 7.101 -4.399 -9.435 1.00 0.00 H ATOM 1238 HE ARG A 67 9.054 -4.059 -11.337 1.00 0.00 H ATOM 1239 HH12 ARG A 67 5.771 -5.719 -13.095 1.00 0.00 H ATOM 1240 HH11 ARG A 67 5.574 -4.849 -11.530 1.00 0.00 H ATOM 1241 HH22 ARG A 67 7.841 -5.857 -14.082 1.00 0.00 H ATOM 1242 HH21 ARG A 67 9.269 -5.095 -13.292 1.00 0.00 H ATOM 1243 H ARG A 67 11.196 -4.408 -7.549 1.00 0.00 H ATOM 1244 N ILE A 68 11.936 -1.248 -8.439 1.00 0.00 N ATOM 1245 CA ILE A 68 12.593 0.061 -8.541 1.00 0.00 C ATOM 1246 C ILE A 68 14.017 -0.035 -9.121 1.00 0.00 C ATOM 1247 O ILE A 68 14.656 0.995 -9.327 1.00 0.00 O ATOM 1248 CB ILE A 68 12.542 0.832 -7.199 1.00 0.00 C ATOM 1249 CG1 ILE A 68 13.451 0.241 -6.104 1.00 0.00 C ATOM 1250 CG2 ILE A 68 11.088 0.946 -6.704 1.00 0.00 C ATOM 1251 CD1 ILE A 68 13.610 1.164 -4.888 1.00 0.00 C ATOM 1252 HA ILE A 68 12.022 0.648 -9.261 1.00 0.00 H ATOM 1253 HB ILE A 68 12.938 1.827 -7.403 1.00 0.00 H ATOM 1254 HG12 ILE A 68 13.022 -0.703 -5.769 1.00 0.00 H ATOM 1255 HG13 ILE A 68 14.437 0.059 -6.532 1.00 0.00 H ATOM 1256 HD11 ILE A 68 14.049 2.110 -5.206 1.00 0.00 H ATOM 1257 HD12 ILE A 68 12.632 1.347 -4.442 1.00 0.00 H ATOM 1258 HD13 ILE A 68 14.262 0.688 -4.155 1.00 0.00 H ATOM 1259 HG21 ILE A 68 10.494 1.480 -7.445 1.00 0.00 H ATOM 1260 HG22 ILE A 68 10.676 -0.052 -6.558 1.00 0.00 H ATOM 1261 HG23 ILE A 68 11.069 1.490 -5.760 1.00 0.00 H ATOM 1262 H ILE A 68 11.967 -1.750 -7.529 1.00 0.00 H ATOM 1263 N HIS A 69 14.517 -1.245 -9.398 1.00 0.00 N ATOM 1264 CA HIS A 69 15.839 -1.531 -9.952 1.00 0.00 C ATOM 1265 C HIS A 69 17.000 -0.821 -9.229 1.00 0.00 C ATOM 1266 O HIS A 69 17.921 -0.292 -9.859 1.00 0.00 O ATOM 1267 CB HIS A 69 15.853 -1.270 -11.466 1.00 0.00 C ATOM 1268 CG HIS A 69 14.782 -1.966 -12.262 1.00 0.00 C ATOM 1269 ND1 HIS A 69 14.939 -3.133 -12.974 1.00 0.00 N ATOM 1270 CD2 HIS A 69 13.543 -1.462 -12.547 1.00 0.00 C ATOM 1271 CE1 HIS A 69 13.823 -3.315 -13.696 1.00 0.00 C ATOM 1272 NE2 HIS A 69 12.935 -2.333 -13.461 1.00 0.00 N ATOM 1273 HA HIS A 69 16.021 -2.591 -9.776 1.00 0.00 H ATOM 1274 HB2 HIS A 69 15.741 -0.197 -11.621 1.00 0.00 H ATOM 1275 HB3 HIS A 69 16.820 -1.593 -11.852 1.00 0.00 H ATOM 1276 HD2 HIS A 69 13.108 -0.550 -12.138 1.00 0.00 H ATOM 1277 HE1 HIS A 69 13.658 -4.147 -14.381 1.00 0.00 H ATOM 1278 H HIS A 69 13.905 -2.062 -9.200 1.00 0.00 H ATOM 1279 N LEU A 70 16.939 -0.748 -7.899 1.00 0.00 N ATOM 1280 CA LEU A 70 17.987 -0.115 -7.097 1.00 0.00 C ATOM 1281 C LEU A 70 19.282 -0.943 -7.110 1.00 0.00 C ATOM 1282 O LEU A 70 19.272 -2.132 -7.458 1.00 0.00 O ATOM 1283 CB LEU A 70 17.513 0.199 -5.666 1.00 0.00 C ATOM 1284 CG LEU A 70 16.895 -0.908 -4.778 1.00 0.00 C ATOM 1285 CD1 LEU A 70 17.529 -2.300 -4.836 1.00 0.00 C ATOM 1286 CD2 LEU A 70 16.928 -0.427 -3.322 1.00 0.00 C ATOM 1287 HA LEU A 70 18.214 0.844 -7.563 1.00 0.00 H ATOM 1288 HB2 LEU A 70 18.380 0.583 -5.128 1.00 0.00 H ATOM 1289 HB3 LEU A 70 16.763 0.985 -5.752 1.00 0.00 H ATOM 1290 HG LEU A 70 15.893 -1.051 -5.183 1.00 0.00 H ATOM 1291 HD21 LEU A 70 17.960 -0.240 -3.026 1.00 0.00 H ATOM 1292 HD22 LEU A 70 16.351 0.493 -3.231 1.00 0.00 H ATOM 1293 HD23 LEU A 70 16.497 -1.193 -2.678 1.00 0.00 H ATOM 1294 HD11 LEU A 70 17.470 -2.682 -5.855 1.00 0.00 H ATOM 1295 HD12 LEU A 70 18.573 -2.235 -4.530 1.00 0.00 H ATOM 1296 HD13 LEU A 70 16.993 -2.970 -4.164 1.00 0.00 H ATOM 1297 H LEU A 70 16.115 -1.156 -7.413 1.00 0.00 H ATOM 1298 N ARG A 71 20.430 -0.305 -6.856 1.00 0.00 N ATOM 1299 CA ARG A 71 21.712 -1.015 -6.808 1.00 0.00 C ATOM 1300 C ARG A 71 21.665 -1.900 -5.555 1.00 0.00 C ATOM 1301 O ARG A 71 20.947 -1.586 -4.606 1.00 0.00 O ATOM 1302 CB ARG A 71 22.895 -0.038 -6.710 1.00 0.00 C ATOM 1303 CG ARG A 71 23.009 0.976 -7.862 1.00 0.00 C ATOM 1304 CD ARG A 71 23.515 0.335 -9.166 1.00 0.00 C ATOM 1305 NE ARG A 71 24.876 -0.221 -9.023 1.00 0.00 N ATOM 1306 CZ ARG A 71 26.013 0.485 -8.942 1.00 0.00 C ATOM 1307 NH1 ARG A 71 26.024 1.797 -9.146 1.00 0.00 N ATOM 1308 NH2 ARG A 71 27.135 -0.144 -8.619 1.00 0.00 N ATOM 1309 HA ARG A 71 21.857 -1.598 -7.718 1.00 0.00 H ATOM 1310 HB2 ARG A 71 22.795 0.520 -5.779 1.00 0.00 H ATOM 1311 HB3 ARG A 71 23.814 -0.623 -6.684 1.00 0.00 H ATOM 1312 HG2 ARG A 71 22.026 1.410 -8.044 1.00 0.00 H ATOM 1313 HG3 ARG A 71 23.703 1.763 -7.567 1.00 0.00 H ATOM 1314 HD2 ARG A 71 23.526 1.093 -9.949 1.00 0.00 H ATOM 1315 HD3 ARG A 71 22.835 -0.469 -9.449 1.00 0.00 H ATOM 1316 HE ARG A 71 24.960 -1.257 -8.981 1.00 0.00 H ATOM 1317 HH12 ARG A 71 26.917 2.326 -9.078 1.00 0.00 H ATOM 1318 HH11 ARG A 71 25.140 2.295 -9.373 1.00 0.00 H ATOM 1319 HH22 ARG A 71 28.027 0.386 -8.551 1.00 0.00 H ATOM 1320 HH21 ARG A 71 27.123 -1.167 -8.434 1.00 0.00 H ATOM 1321 H ARG A 71 20.413 0.721 -6.688 1.00 0.00 H ATOM 1322 N PRO A 72 22.461 -2.971 -5.464 1.00 0.00 N ATOM 1323 CA PRO A 72 22.423 -3.836 -4.295 1.00 0.00 C ATOM 1324 C PRO A 72 22.917 -3.116 -3.037 1.00 0.00 C ATOM 1325 O PRO A 72 22.441 -3.421 -1.942 1.00 0.00 O ATOM 1326 CB PRO A 72 23.227 -5.072 -4.677 1.00 0.00 C ATOM 1327 CG PRO A 72 24.118 -4.626 -5.831 1.00 0.00 C ATOM 1328 CD PRO A 72 23.366 -3.466 -6.475 1.00 0.00 C ATOM 1329 HA PRO A 72 21.408 -4.129 -4.025 1.00 0.00 H ATOM 1330 HD3 PRO A 72 24.062 -2.684 -6.777 1.00 0.00 H ATOM 1331 HD2 PRO A 72 22.809 -3.812 -7.346 1.00 0.00 H ATOM 1332 HG3 PRO A 72 24.258 -5.438 -6.545 1.00 0.00 H ATOM 1333 HG2 PRO A 72 25.090 -4.297 -5.462 1.00 0.00 H ATOM 1334 HB2 PRO A 72 23.831 -5.411 -3.836 1.00 0.00 H ATOM 1335 HB3 PRO A 72 22.564 -5.877 -4.994 1.00 0.00 H ATOM 1336 N GLU A 73 23.820 -2.144 -3.180 1.00 0.00 N ATOM 1337 CA GLU A 73 24.350 -1.371 -2.064 1.00 0.00 C ATOM 1338 C GLU A 73 23.373 -0.265 -1.637 1.00 0.00 C ATOM 1339 O GLU A 73 23.524 0.281 -0.540 1.00 0.00 O ATOM 1340 CB GLU A 73 25.683 -0.715 -2.471 1.00 0.00 C ATOM 1341 CG GLU A 73 26.843 -1.705 -2.647 1.00 0.00 C ATOM 1342 CD GLU A 73 26.695 -2.631 -3.858 1.00 0.00 C ATOM 1343 OE1 GLU A 73 26.352 -2.148 -4.963 1.00 0.00 O ATOM 1344 OE2 GLU A 73 26.973 -3.847 -3.710 1.00 0.00 O ATOM 1345 HA GLU A 73 24.499 -2.055 -1.228 1.00 0.00 H ATOM 1346 HB2 GLU A 73 25.533 -0.192 -3.416 1.00 0.00 H ATOM 1347 HB3 GLU A 73 25.960 0.004 -1.700 1.00 0.00 H ATOM 1348 HG2 GLU A 73 27.765 -1.136 -2.762 1.00 0.00 H ATOM 1349 HG3 GLU A 73 26.907 -2.321 -1.750 1.00 0.00 H ATOM 1350 H GLU A 73 24.163 -1.927 -4.137 1.00 0.00 H ATOM 1351 N ASP A 74 22.387 0.077 -2.472 1.00 0.00 N ATOM 1352 CA ASP A 74 21.415 1.129 -2.196 1.00 0.00 C ATOM 1353 C ASP A 74 20.532 0.751 -1.021 1.00 0.00 C ATOM 1354 O ASP A 74 19.890 -0.308 -1.000 1.00 0.00 O ATOM 1355 CB ASP A 74 20.531 1.462 -3.403 1.00 0.00 C ATOM 1356 CG ASP A 74 21.252 2.165 -4.551 1.00 0.00 C ATOM 1357 OD1 ASP A 74 22.391 2.647 -4.365 1.00 0.00 O ATOM 1358 OD2 ASP A 74 20.659 2.232 -5.653 1.00 0.00 O ATOM 1359 HA ASP A 74 21.997 2.019 -1.957 1.00 0.00 H ATOM 1360 HB2 ASP A 74 20.113 0.530 -3.785 1.00 0.00 H ATOM 1361 HB3 ASP A 74 19.723 2.109 -3.063 1.00 0.00 H ATOM 1362 H ASP A 74 22.308 -0.438 -3.372 1.00 0.00 H ATOM 1363 N ALA A 75 20.541 1.610 -0.007 1.00 0.00 N ATOM 1364 CA ALA A 75 19.747 1.435 1.186 1.00 0.00 C ATOM 1365 C ALA A 75 18.268 1.579 0.809 1.00 0.00 C ATOM 1366 O ALA A 75 17.919 2.218 -0.182 1.00 0.00 O ATOM 1367 CB ALA A 75 20.148 2.512 2.189 1.00 0.00 C ATOM 1368 HA ALA A 75 19.909 0.452 1.628 1.00 0.00 H ATOM 1369 HB1 ALA A 75 21.207 2.410 2.425 1.00 0.00 H ATOM 1370 HB2 ALA A 75 19.964 3.496 1.757 1.00 0.00 H ATOM 1371 HB3 ALA A 75 19.559 2.397 3.099 1.00 0.00 H ATOM 1372 H ALA A 75 21.150 2.450 -0.076 1.00 0.00 H ATOM 1373 N LEU A 76 17.384 0.956 1.581 1.00 0.00 N ATOM 1374 CA LEU A 76 15.948 1.021 1.353 1.00 0.00 C ATOM 1375 C LEU A 76 15.275 0.620 2.652 1.00 0.00 C ATOM 1376 O LEU A 76 15.624 -0.414 3.233 1.00 0.00 O ATOM 1377 CB LEU A 76 15.514 0.099 0.198 1.00 0.00 C ATOM 1378 CG LEU A 76 14.064 0.360 -0.265 1.00 0.00 C ATOM 1379 CD1 LEU A 76 13.898 1.712 -0.972 1.00 0.00 C ATOM 1380 CD2 LEU A 76 13.631 -0.730 -1.248 1.00 0.00 C ATOM 1381 HA LEU A 76 15.658 2.030 1.060 1.00 0.00 H ATOM 1382 HB2 LEU A 76 16.184 0.260 -0.647 1.00 0.00 H ATOM 1383 HB3 LEU A 76 15.593 -0.936 0.530 1.00 0.00 H ATOM 1384 HG LEU A 76 13.450 0.360 0.636 1.00 0.00 H ATOM 1385 HD21 LEU A 76 14.294 -0.721 -2.113 1.00 0.00 H ATOM 1386 HD22 LEU A 76 13.684 -1.702 -0.757 1.00 0.00 H ATOM 1387 HD23 LEU A 76 12.607 -0.540 -1.571 1.00 0.00 H ATOM 1388 HD11 LEU A 76 14.179 2.514 -0.290 1.00 0.00 H ATOM 1389 HD12 LEU A 76 14.539 1.741 -1.853 1.00 0.00 H ATOM 1390 HD13 LEU A 76 12.858 1.838 -1.274 1.00 0.00 H ATOM 1391 H LEU A 76 17.734 0.396 2.385 1.00 0.00 H ATOM 1392 N PHE A 77 14.323 1.419 3.105 1.00 0.00 N ATOM 1393 CA PHE A 77 13.567 1.222 4.325 1.00 0.00 C ATOM 1394 C PHE A 77 12.091 1.408 3.990 1.00 0.00 C ATOM 1395 O PHE A 77 11.739 2.291 3.203 1.00 0.00 O ATOM 1396 CB PHE A 77 14.035 2.238 5.378 1.00 0.00 C ATOM 1397 CG PHE A 77 15.498 2.134 5.779 1.00 0.00 C ATOM 1398 CD1 PHE A 77 16.483 2.810 5.034 1.00 0.00 C ATOM 1399 CD2 PHE A 77 15.882 1.393 6.914 1.00 0.00 C ATOM 1400 CE1 PHE A 77 17.835 2.740 5.414 1.00 0.00 C ATOM 1401 CE2 PHE A 77 17.234 1.333 7.298 1.00 0.00 C ATOM 1402 CZ PHE A 77 18.215 2.002 6.548 1.00 0.00 C ATOM 1403 HA PHE A 77 13.721 0.223 4.734 1.00 0.00 H ATOM 1404 HB2 PHE A 77 13.865 3.238 4.979 1.00 0.00 H ATOM 1405 HB3 PHE A 77 13.430 2.098 6.274 1.00 0.00 H ATOM 1406 HD2 PHE A 77 15.128 0.864 7.497 1.00 0.00 H ATOM 1407 HE2 PHE A 77 17.522 0.764 8.182 1.00 0.00 H ATOM 1408 HZ PHE A 77 19.263 1.949 6.843 1.00 0.00 H ATOM 1409 HE1 PHE A 77 18.591 3.260 4.827 1.00 0.00 H ATOM 1410 HD1 PHE A 77 16.196 3.391 4.158 1.00 0.00 H ATOM 1411 H PHE A 77 14.098 2.260 2.537 1.00 0.00 H ATOM 1412 N PHE A 78 11.246 0.560 4.567 1.00 0.00 N ATOM 1413 CA PHE A 78 9.800 0.568 4.404 1.00 0.00 C ATOM 1414 C PHE A 78 9.200 0.781 5.783 1.00 0.00 C ATOM 1415 O PHE A 78 9.706 0.229 6.770 1.00 0.00 O ATOM 1416 CB PHE A 78 9.298 -0.761 3.839 1.00 0.00 C ATOM 1417 CG PHE A 78 9.543 -0.971 2.364 1.00 0.00 C ATOM 1418 CD1 PHE A 78 8.581 -0.544 1.430 1.00 0.00 C ATOM 1419 CD2 PHE A 78 10.707 -1.624 1.926 1.00 0.00 C ATOM 1420 CE1 PHE A 78 8.792 -0.758 0.058 1.00 0.00 C ATOM 1421 CE2 PHE A 78 10.911 -1.844 0.554 1.00 0.00 C ATOM 1422 CZ PHE A 78 9.963 -1.398 -0.380 1.00 0.00 C ATOM 1423 HA PHE A 78 9.510 1.355 3.707 1.00 0.00 H ATOM 1424 HB2 PHE A 78 9.794 -1.566 4.381 1.00 0.00 H ATOM 1425 HB3 PHE A 78 8.223 -0.816 4.013 1.00 0.00 H ATOM 1426 HD2 PHE A 78 11.450 -1.959 2.649 1.00 0.00 H ATOM 1427 HE2 PHE A 78 11.808 -2.362 0.214 1.00 0.00 H ATOM 1428 HZ PHE A 78 10.136 -1.548 -1.446 1.00 0.00 H ATOM 1429 HE1 PHE A 78 8.047 -0.428 -0.666 1.00 0.00 H ATOM 1430 HD1 PHE A 78 7.673 -0.047 1.771 1.00 0.00 H ATOM 1431 H PHE A 78 11.652 -0.170 5.187 1.00 0.00 H ATOM 1432 N PHE A 79 8.095 1.509 5.856 1.00 0.00 N ATOM 1433 CA PHE A 79 7.409 1.818 7.093 1.00 0.00 C ATOM 1434 C PHE A 79 5.922 1.635 6.832 1.00 0.00 C ATOM 1435 O PHE A 79 5.380 2.273 5.929 1.00 0.00 O ATOM 1436 CB PHE A 79 7.724 3.271 7.508 1.00 0.00 C ATOM 1437 CG PHE A 79 9.155 3.732 7.258 1.00 0.00 C ATOM 1438 CD1 PHE A 79 9.535 4.215 5.989 1.00 0.00 C ATOM 1439 CD2 PHE A 79 10.118 3.647 8.277 1.00 0.00 C ATOM 1440 CE1 PHE A 79 10.871 4.564 5.732 1.00 0.00 C ATOM 1441 CE2 PHE A 79 11.455 4.003 8.024 1.00 0.00 C ATOM 1442 CZ PHE A 79 11.834 4.455 6.748 1.00 0.00 C ATOM 1443 HA PHE A 79 7.731 1.166 7.905 1.00 0.00 H ATOM 1444 HB2 PHE A 79 7.057 3.931 6.953 1.00 0.00 H ATOM 1445 HB3 PHE A 79 7.522 3.367 8.575 1.00 0.00 H ATOM 1446 HD2 PHE A 79 9.827 3.303 9.270 1.00 0.00 H ATOM 1447 HE2 PHE A 79 12.198 3.928 8.818 1.00 0.00 H ATOM 1448 HZ PHE A 79 12.872 4.720 6.548 1.00 0.00 H ATOM 1449 HE1 PHE A 79 11.160 4.920 4.743 1.00 0.00 H ATOM 1450 HD1 PHE A 79 8.787 4.318 5.203 1.00 0.00 H ATOM 1451 H PHE A 79 7.696 1.881 4.971 1.00 0.00 H ATOM 1452 N VAL A 80 5.269 0.728 7.551 1.00 0.00 N ATOM 1453 CA VAL A 80 3.839 0.510 7.402 1.00 0.00 C ATOM 1454 C VAL A 80 3.280 1.299 8.571 1.00 0.00 C ATOM 1455 O VAL A 80 3.649 1.031 9.713 1.00 0.00 O ATOM 1456 CB VAL A 80 3.461 -0.984 7.367 1.00 0.00 C ATOM 1457 CG1 VAL A 80 4.084 -1.839 8.477 1.00 0.00 C ATOM 1458 CG2 VAL A 80 1.938 -1.139 7.359 1.00 0.00 C ATOM 1459 HA VAL A 80 3.425 0.845 6.451 1.00 0.00 H ATOM 1460 HB VAL A 80 3.889 -1.371 6.442 1.00 0.00 H ATOM 1461 HG11 VAL A 80 5.171 -1.790 8.405 1.00 0.00 H ATOM 1462 HG12 VAL A 80 3.766 -1.460 9.448 1.00 0.00 H ATOM 1463 HG13 VAL A 80 3.757 -2.873 8.365 1.00 0.00 H ATOM 1464 HG21 VAL A 80 1.523 -0.685 8.259 1.00 0.00 H ATOM 1465 HG22 VAL A 80 1.528 -0.644 6.478 1.00 0.00 H ATOM 1466 HG23 VAL A 80 1.682 -2.198 7.334 1.00 0.00 H ATOM 1467 H VAL A 80 5.797 0.157 8.241 1.00 0.00 H ATOM 1468 N ASN A 81 2.414 2.269 8.287 1.00 0.00 N ATOM 1469 CA ASN A 81 1.778 3.170 9.247 1.00 0.00 C ATOM 1470 C ASN A 81 2.657 3.458 10.474 1.00 0.00 C ATOM 1471 O ASN A 81 2.435 2.941 11.570 1.00 0.00 O ATOM 1472 CB ASN A 81 0.377 2.694 9.630 1.00 0.00 C ATOM 1473 CG ASN A 81 -0.361 3.795 10.385 1.00 0.00 C ATOM 1474 OD1 ASN A 81 -0.065 4.975 10.211 1.00 0.00 O ATOM 1475 ND2 ASN A 81 -1.355 3.451 11.177 1.00 0.00 N ATOM 1476 HA ASN A 81 1.661 4.127 8.739 1.00 0.00 H ATOM 1477 HB2 ASN A 81 -0.178 2.441 8.727 1.00 0.00 H ATOM 1478 HB3 ASN A 81 0.456 1.812 10.265 1.00 0.00 H ATOM 1479 HD22 ASN A 81 -1.590 2.447 11.311 1.00 0.00 H ATOM 1480 HD21 ASN A 81 -1.906 4.184 11.669 1.00 0.00 H ATOM 1481 H ASN A 81 2.166 2.399 7.285 1.00 0.00 H ATOM 1482 N ASN A 82 3.728 4.223 10.244 1.00 0.00 N ATOM 1483 CA ASN A 82 4.734 4.678 11.211 1.00 0.00 C ATOM 1484 C ASN A 82 5.454 3.578 12.009 1.00 0.00 C ATOM 1485 O ASN A 82 6.237 3.904 12.908 1.00 0.00 O ATOM 1486 CB ASN A 82 4.101 5.714 12.162 1.00 0.00 C ATOM 1487 CG ASN A 82 3.474 6.890 11.426 1.00 0.00 C ATOM 1488 OD1 ASN A 82 4.166 7.632 10.725 1.00 0.00 O ATOM 1489 ND2 ASN A 82 2.171 7.081 11.519 1.00 0.00 N ATOM 1490 HA ASN A 82 5.526 5.124 10.610 1.00 0.00 H ATOM 1491 HB2 ASN A 82 3.328 5.220 12.750 1.00 0.00 H ATOM 1492 HB3 ASN A 82 4.876 6.094 12.828 1.00 0.00 H ATOM 1493 HD22 ASN A 82 1.594 6.451 12.112 1.00 0.00 H ATOM 1494 HD21 ASN A 82 1.721 7.861 10.999 1.00 0.00 H ATOM 1495 H ASN A 82 3.865 4.534 9.261 1.00 0.00 H ATOM 1496 N THR A 83 5.291 2.301 11.669 1.00 0.00 N ATOM 1497 CA THR A 83 5.880 1.158 12.362 1.00 0.00 C ATOM 1498 C THR A 83 6.799 0.365 11.416 1.00 0.00 C ATOM 1499 O THR A 83 6.634 0.396 10.192 1.00 0.00 O ATOM 1500 CB THR A 83 4.711 0.340 12.952 1.00 0.00 C ATOM 1501 OG1 THR A 83 3.778 1.204 13.578 1.00 0.00 O ATOM 1502 CG2 THR A 83 5.135 -0.650 14.038 1.00 0.00 C ATOM 1503 HA THR A 83 6.532 1.462 13.181 1.00 0.00 H ATOM 1504 HB THR A 83 4.296 -0.203 12.103 1.00 0.00 H ATOM 1505 HG1 THR A 83 3.423 1.844 12.911 1.00 0.00 H ATOM 1506 HG23 THR A 83 5.859 -1.352 13.625 1.00 0.00 H ATOM 1507 HG21 THR A 83 5.587 -0.106 14.867 1.00 0.00 H ATOM 1508 HG22 THR A 83 4.260 -1.195 14.393 1.00 0.00 H ATOM 1509 H THR A 83 4.695 2.101 10.841 1.00 0.00 H ATOM 1510 N ILE A 84 7.797 -0.340 11.967 1.00 0.00 N ATOM 1511 CA ILE A 84 8.771 -1.132 11.220 1.00 0.00 C ATOM 1512 C ILE A 84 8.684 -2.602 11.682 1.00 0.00 C ATOM 1513 O ILE A 84 9.283 -2.954 12.703 1.00 0.00 O ATOM 1514 CB ILE A 84 10.183 -0.508 11.355 1.00 0.00 C ATOM 1515 CG1 ILE A 84 10.145 0.995 10.998 1.00 0.00 C ATOM 1516 CG2 ILE A 84 11.181 -1.284 10.476 1.00 0.00 C ATOM 1517 CD1 ILE A 84 11.512 1.683 10.896 1.00 0.00 C ATOM 1518 HA ILE A 84 8.548 -1.123 10.153 1.00 0.00 H ATOM 1519 HB ILE A 84 10.518 -0.585 12.389 1.00 0.00 H ATOM 1520 HG12 ILE A 84 9.643 1.100 10.036 1.00 0.00 H ATOM 1521 HG13 ILE A 84 9.566 1.509 11.766 1.00 0.00 H ATOM 1522 HD11 ILE A 84 12.028 1.606 11.853 1.00 0.00 H ATOM 1523 HD12 ILE A 84 12.105 1.197 10.121 1.00 0.00 H ATOM 1524 HD13 ILE A 84 11.371 2.733 10.641 1.00 0.00 H ATOM 1525 HG21 ILE A 84 11.214 -2.325 10.798 1.00 0.00 H ATOM 1526 HG22 ILE A 84 10.862 -1.234 9.435 1.00 0.00 H ATOM 1527 HG23 ILE A 84 12.172 -0.841 10.575 1.00 0.00 H ATOM 1528 H ILE A 84 7.884 -0.322 13.003 1.00 0.00 H ATOM 1529 N PRO A 85 7.916 -3.463 10.984 1.00 0.00 N ATOM 1530 CA PRO A 85 7.759 -4.878 11.315 1.00 0.00 C ATOM 1531 C PRO A 85 8.979 -5.696 10.853 1.00 0.00 C ATOM 1532 O PRO A 85 9.760 -5.217 10.022 1.00 0.00 O ATOM 1533 CB PRO A 85 6.518 -5.316 10.527 1.00 0.00 C ATOM 1534 CG PRO A 85 6.592 -4.468 9.264 1.00 0.00 C ATOM 1535 CD PRO A 85 7.164 -3.149 9.780 1.00 0.00 C ATOM 1536 HA PRO A 85 7.665 -5.034 12.390 1.00 0.00 H ATOM 1537 HD3 PRO A 85 7.821 -2.705 9.031 1.00 0.00 H ATOM 1538 HD2 PRO A 85 6.357 -2.454 10.011 1.00 0.00 H ATOM 1539 HG3 PRO A 85 5.603 -4.325 8.828 1.00 0.00 H ATOM 1540 HG2 PRO A 85 7.252 -4.921 8.524 1.00 0.00 H ATOM 1541 HB2 PRO A 85 6.561 -6.379 10.288 1.00 0.00 H ATOM 1542 HB3 PRO A 85 5.606 -5.107 11.086 1.00 0.00 H ATOM 1543 N PRO A 86 9.154 -6.940 11.329 1.00 0.00 N ATOM 1544 CA PRO A 86 10.273 -7.776 10.915 1.00 0.00 C ATOM 1545 C PRO A 86 10.025 -8.372 9.527 1.00 0.00 C ATOM 1546 O PRO A 86 8.880 -8.616 9.139 1.00 0.00 O ATOM 1547 CB PRO A 86 10.353 -8.878 11.973 1.00 0.00 C ATOM 1548 CG PRO A 86 8.904 -9.038 12.437 1.00 0.00 C ATOM 1549 CD PRO A 86 8.328 -7.627 12.314 1.00 0.00 C ATOM 1550 HA PRO A 86 11.201 -7.209 10.842 1.00 0.00 H ATOM 1551 HD3 PRO A 86 7.292 -7.669 11.977 1.00 0.00 H ATOM 1552 HD2 PRO A 86 8.376 -7.113 13.274 1.00 0.00 H ATOM 1553 HG3 PRO A 86 8.862 -9.387 13.469 1.00 0.00 H ATOM 1554 HG2 PRO A 86 8.365 -9.736 11.796 1.00 0.00 H ATOM 1555 HB2 PRO A 86 10.728 -9.806 11.541 1.00 0.00 H ATOM 1556 HB3 PRO A 86 10.996 -8.578 12.800 1.00 0.00 H ATOM 1557 N THR A 87 11.088 -8.699 8.784 1.00 0.00 N ATOM 1558 CA THR A 87 10.935 -9.284 7.454 1.00 0.00 C ATOM 1559 C THR A 87 10.320 -10.693 7.500 1.00 0.00 C ATOM 1560 O THR A 87 9.904 -11.186 6.454 1.00 0.00 O ATOM 1561 CB THR A 87 12.223 -9.181 6.612 1.00 0.00 C ATOM 1562 OG1 THR A 87 13.409 -9.533 7.300 1.00 0.00 O ATOM 1563 CG2 THR A 87 12.398 -7.740 6.118 1.00 0.00 C ATOM 1564 HA THR A 87 10.204 -8.676 6.920 1.00 0.00 H ATOM 1565 HB THR A 87 12.089 -9.895 5.800 1.00 0.00 H ATOM 1566 HG1 THR A 87 14.183 -9.439 6.690 1.00 0.00 H ATOM 1567 HG23 THR A 87 11.502 -7.430 5.581 1.00 0.00 H ATOM 1568 HG21 THR A 87 12.557 -7.081 6.972 1.00 0.00 H ATOM 1569 HG22 THR A 87 13.259 -7.688 5.452 1.00 0.00 H ATOM 1570 H THR A 87 12.043 -8.533 9.161 1.00 0.00 H ATOM 1571 N SER A 88 10.274 -11.342 8.673 1.00 0.00 N ATOM 1572 CA SER A 88 9.685 -12.667 8.835 1.00 0.00 C ATOM 1573 C SER A 88 8.157 -12.564 8.982 1.00 0.00 C ATOM 1574 O SER A 88 7.492 -13.604 8.969 1.00 0.00 O ATOM 1575 CB SER A 88 10.288 -13.370 10.058 1.00 0.00 C ATOM 1576 OG SER A 88 10.031 -14.763 10.028 1.00 0.00 O ATOM 1577 HA SER A 88 9.909 -13.255 7.945 1.00 0.00 H ATOM 1578 HB2 SER A 88 9.851 -12.947 10.963 1.00 0.00 H ATOM 1579 HB3 SER A 88 11.366 -13.207 10.066 1.00 0.00 H ATOM 1580 HG SER A 88 9.053 -14.917 10.025 1.00 0.00 H ATOM 1581 H SER A 88 10.679 -10.877 9.510 1.00 0.00 H ATOM 1582 N ALA A 89 7.592 -11.371 9.223 1.00 0.00 N ATOM 1583 CA ALA A 89 6.145 -11.201 9.343 1.00 0.00 C ATOM 1584 C ALA A 89 5.517 -11.320 7.945 1.00 0.00 C ATOM 1585 O ALA A 89 6.227 -11.476 6.950 1.00 0.00 O ATOM 1586 CB ALA A 89 5.830 -9.848 9.995 1.00 0.00 C ATOM 1587 HA ALA A 89 5.721 -11.976 9.982 1.00 0.00 H ATOM 1588 HB1 ALA A 89 6.280 -9.810 10.987 1.00 0.00 H ATOM 1589 HB2 ALA A 89 6.237 -9.046 9.379 1.00 0.00 H ATOM 1590 HB3 ALA A 89 4.750 -9.730 10.080 1.00 0.00 H ATOM 1591 H ALA A 89 8.205 -10.538 9.328 1.00 0.00 H ATOM 1592 N THR A 90 4.197 -11.209 7.845 1.00 0.00 N ATOM 1593 CA THR A 90 3.442 -11.291 6.598 1.00 0.00 C ATOM 1594 C THR A 90 2.521 -10.076 6.498 1.00 0.00 C ATOM 1595 O THR A 90 2.269 -9.387 7.493 1.00 0.00 O ATOM 1596 CB THR A 90 2.665 -12.627 6.557 1.00 0.00 C ATOM 1597 OG1 THR A 90 2.067 -12.854 7.821 1.00 0.00 O ATOM 1598 CG2 THR A 90 3.610 -13.791 6.239 1.00 0.00 C ATOM 1599 HA THR A 90 4.108 -11.277 5.735 1.00 0.00 H ATOM 1600 HB THR A 90 1.903 -12.566 5.780 1.00 0.00 H ATOM 1601 HG1 THR A 90 1.568 -13.709 7.800 1.00 0.00 H ATOM 1602 HG23 THR A 90 4.075 -13.625 5.267 1.00 0.00 H ATOM 1603 HG21 THR A 90 4.381 -13.851 7.007 1.00 0.00 H ATOM 1604 HG22 THR A 90 3.043 -14.722 6.218 1.00 0.00 H ATOM 1605 H THR A 90 3.660 -11.052 8.722 1.00 0.00 H ATOM 1606 N MET A 91 1.998 -9.812 5.299 1.00 0.00 N ATOM 1607 CA MET A 91 1.091 -8.694 5.064 1.00 0.00 C ATOM 1608 C MET A 91 -0.143 -8.799 5.975 1.00 0.00 C ATOM 1609 O MET A 91 -0.644 -7.776 6.430 1.00 0.00 O ATOM 1610 CB MET A 91 0.719 -8.594 3.576 1.00 0.00 C ATOM 1611 CG MET A 91 1.929 -8.313 2.667 1.00 0.00 C ATOM 1612 SD MET A 91 3.069 -6.987 3.169 1.00 0.00 S ATOM 1613 CE MET A 91 2.062 -5.519 2.841 1.00 0.00 C ATOM 1614 HA MET A 91 1.601 -7.766 5.323 1.00 0.00 H ATOM 1615 HB2 MET A 91 0.265 -9.536 3.268 1.00 0.00 H ATOM 1616 HB3 MET A 91 -0.003 -7.787 3.452 1.00 0.00 H ATOM 1617 HG2 MET A 91 1.543 -8.056 1.680 1.00 0.00 H ATOM 1618 HG3 MET A 91 2.508 -9.234 2.601 1.00 0.00 H ATOM 1619 HE1 MET A 91 1.799 -5.489 1.784 1.00 0.00 H ATOM 1620 HE2 MET A 91 1.153 -5.562 3.442 1.00 0.00 H ATOM 1621 HE3 MET A 91 2.629 -4.625 3.101 1.00 0.00 H ATOM 1622 H MET A 91 2.247 -10.429 4.499 1.00 0.00 H ATOM 1623 N GLY A 92 -0.590 -10.011 6.316 1.00 0.00 N ATOM 1624 CA GLY A 92 -1.731 -10.255 7.186 1.00 0.00 C ATOM 1625 C GLY A 92 -1.431 -9.874 8.638 1.00 0.00 C ATOM 1626 O GLY A 92 -2.333 -9.432 9.348 1.00 0.00 O ATOM 1627 HA3 GLY A 92 -1.987 -11.314 7.144 1.00 0.00 H ATOM 1628 HA2 GLY A 92 -2.576 -9.664 6.833 1.00 0.00 H ATOM 1629 H GLY A 92 -0.088 -10.837 5.933 1.00 0.00 H ATOM 1630 N GLN A 93 -0.179 -10.019 9.092 1.00 0.00 N ATOM 1631 CA GLN A 93 0.220 -9.683 10.456 1.00 0.00 C ATOM 1632 C GLN A 93 0.100 -8.171 10.669 1.00 0.00 C ATOM 1633 O GLN A 93 -0.498 -7.730 11.649 1.00 0.00 O ATOM 1634 CB GLN A 93 1.660 -10.178 10.706 1.00 0.00 C ATOM 1635 CG GLN A 93 2.255 -9.805 12.074 1.00 0.00 C ATOM 1636 CD GLN A 93 1.630 -10.566 13.231 1.00 0.00 C ATOM 1637 OE1 GLN A 93 2.259 -11.455 13.802 1.00 0.00 O ATOM 1638 NE2 GLN A 93 0.424 -10.207 13.630 1.00 0.00 N ATOM 1639 HA GLN A 93 -0.438 -10.176 11.172 1.00 0.00 H ATOM 1640 HB2 GLN A 93 1.662 -11.265 10.623 1.00 0.00 H ATOM 1641 HB3 GLN A 93 2.301 -9.754 9.933 1.00 0.00 H ATOM 1642 HG2 GLN A 93 3.324 -10.019 12.056 1.00 0.00 H ATOM 1643 HG3 GLN A 93 2.102 -8.738 12.239 1.00 0.00 H ATOM 1644 HE22 GLN A 93 -0.086 -9.452 13.129 1.00 0.00 H ATOM 1645 HE21 GLN A 93 -0.016 -10.679 14.445 1.00 0.00 H ATOM 1646 H GLN A 93 0.544 -10.389 8.442 1.00 0.00 H ATOM 1647 N LEU A 94 0.695 -7.379 9.773 1.00 0.00 N ATOM 1648 CA LEU A 94 0.656 -5.918 9.832 1.00 0.00 C ATOM 1649 C LEU A 94 -0.759 -5.429 9.540 1.00 0.00 C ATOM 1650 O LEU A 94 -1.181 -4.441 10.129 1.00 0.00 O ATOM 1651 CB LEU A 94 1.731 -5.262 8.938 1.00 0.00 C ATOM 1652 CG LEU A 94 1.811 -5.772 7.484 1.00 0.00 C ATOM 1653 CD1 LEU A 94 0.990 -4.939 6.497 1.00 0.00 C ATOM 1654 CD2 LEU A 94 3.263 -5.812 7.003 1.00 0.00 C ATOM 1655 HA LEU A 94 0.912 -5.602 10.843 1.00 0.00 H ATOM 1656 HB2 LEU A 94 1.528 -4.192 8.905 1.00 0.00 H ATOM 1657 HB3 LEU A 94 2.701 -5.432 9.404 1.00 0.00 H ATOM 1658 HG LEU A 94 1.385 -6.775 7.504 1.00 0.00 H ATOM 1659 HD21 LEU A 94 3.687 -4.809 7.049 1.00 0.00 H ATOM 1660 HD22 LEU A 94 3.838 -6.481 7.643 1.00 0.00 H ATOM 1661 HD23 LEU A 94 3.294 -6.175 5.976 1.00 0.00 H ATOM 1662 HD11 LEU A 94 -0.059 -4.958 6.792 1.00 0.00 H ATOM 1663 HD12 LEU A 94 1.352 -3.911 6.503 1.00 0.00 H ATOM 1664 HD13 LEU A 94 1.095 -5.357 5.496 1.00 0.00 H ATOM 1665 H LEU A 94 1.214 -7.826 8.991 1.00 0.00 H ATOM 1666 N TYR A 95 -1.505 -6.105 8.661 1.00 0.00 N ATOM 1667 CA TYR A 95 -2.874 -5.723 8.343 1.00 0.00 C ATOM 1668 C TYR A 95 -3.736 -5.823 9.606 1.00 0.00 C ATOM 1669 O TYR A 95 -4.603 -4.977 9.818 1.00 0.00 O ATOM 1670 CB TYR A 95 -3.394 -6.600 7.203 1.00 0.00 C ATOM 1671 CG TYR A 95 -4.868 -6.482 6.875 1.00 0.00 C ATOM 1672 CD1 TYR A 95 -5.328 -5.422 6.073 1.00 0.00 C ATOM 1673 CD2 TYR A 95 -5.761 -7.498 7.268 1.00 0.00 C ATOM 1674 CE1 TYR A 95 -6.658 -5.399 5.618 1.00 0.00 C ATOM 1675 CE2 TYR A 95 -7.093 -7.482 6.819 1.00 0.00 C ATOM 1676 CZ TYR A 95 -7.542 -6.444 5.973 1.00 0.00 C ATOM 1677 OH TYR A 95 -8.798 -6.491 5.452 1.00 0.00 O ATOM 1678 HA TYR A 95 -2.917 -4.689 8.002 1.00 0.00 H ATOM 1679 HB3 TYR A 95 -3.196 -7.639 7.468 1.00 0.00 H ATOM 1680 HB2 TYR A 95 -2.833 -6.342 6.305 1.00 0.00 H ATOM 1681 HD2 TYR A 95 -5.418 -8.299 7.922 1.00 0.00 H ATOM 1682 HE2 TYR A 95 -7.780 -8.271 7.124 1.00 0.00 H ATOM 1683 HE1 TYR A 95 -7.007 -4.577 4.993 1.00 0.00 H ATOM 1684 HD1 TYR A 95 -4.649 -4.613 5.803 1.00 0.00 H ATOM 1685 HH TYR A 95 -8.949 -5.693 4.886 1.00 0.00 H ATOM 1686 H TYR A 95 -1.093 -6.934 8.187 1.00 0.00 H ATOM 1687 N GLU A 96 -3.490 -6.840 10.439 1.00 0.00 N ATOM 1688 CA GLU A 96 -4.195 -7.066 11.694 1.00 0.00 C ATOM 1689 C GLU A 96 -3.826 -5.993 12.711 1.00 0.00 C ATOM 1690 O GLU A 96 -4.690 -5.421 13.379 1.00 0.00 O ATOM 1691 CB GLU A 96 -3.784 -8.431 12.264 1.00 0.00 C ATOM 1692 CG GLU A 96 -4.801 -8.979 13.265 1.00 0.00 C ATOM 1693 CD GLU A 96 -6.135 -9.245 12.576 1.00 0.00 C ATOM 1694 OE1 GLU A 96 -6.160 -10.025 11.592 1.00 0.00 O ATOM 1695 OE2 GLU A 96 -7.152 -8.630 12.975 1.00 0.00 O ATOM 1696 HA GLU A 96 -5.268 -7.034 11.503 1.00 0.00 H ATOM 1697 HB2 GLU A 96 -3.687 -9.139 11.441 1.00 0.00 H ATOM 1698 HB3 GLU A 96 -2.822 -8.325 12.765 1.00 0.00 H ATOM 1699 HG2 GLU A 96 -4.423 -9.910 13.688 1.00 0.00 H ATOM 1700 HG3 GLU A 96 -4.948 -8.251 14.063 1.00 0.00 H ATOM 1701 H GLU A 96 -2.745 -7.515 10.173 1.00 0.00 H ATOM 1702 N ASP A 97 -2.534 -5.665 12.784 1.00 0.00 N ATOM 1703 CA ASP A 97 -2.024 -4.675 13.720 1.00 0.00 C ATOM 1704 C ASP A 97 -2.547 -3.288 13.345 1.00 0.00 C ATOM 1705 O ASP A 97 -2.864 -2.496 14.234 1.00 0.00 O ATOM 1706 CB ASP A 97 -0.496 -4.702 13.708 1.00 0.00 C ATOM 1707 CG ASP A 97 0.058 -3.711 14.724 1.00 0.00 C ATOM 1708 OD1 ASP A 97 0.211 -4.097 15.906 1.00 0.00 O ATOM 1709 OD2 ASP A 97 0.386 -2.570 14.331 1.00 0.00 O ATOM 1710 HA ASP A 97 -2.369 -4.910 14.727 1.00 0.00 H ATOM 1711 HB2 ASP A 97 -0.152 -5.705 13.959 1.00 0.00 H ATOM 1712 HB3 ASP A 97 -0.139 -4.435 12.713 1.00 0.00 H ATOM 1713 H ASP A 97 -1.864 -6.137 12.144 1.00 0.00 H ATOM 1714 N ASN A 98 -2.788 -3.043 12.057 1.00 0.00 N ATOM 1715 CA ASN A 98 -3.298 -1.792 11.500 1.00 0.00 C ATOM 1716 C ASN A 98 -4.812 -1.767 11.275 1.00 0.00 C ATOM 1717 O ASN A 98 -5.289 -0.804 10.669 1.00 0.00 O ATOM 1718 CB ASN A 98 -2.512 -1.363 10.253 1.00 0.00 C ATOM 1719 CG ASN A 98 -1.125 -0.851 10.598 1.00 0.00 C ATOM 1720 OD1 ASN A 98 -0.135 -1.237 9.984 1.00 0.00 O ATOM 1721 ND2 ASN A 98 -1.001 0.051 11.561 1.00 0.00 N ATOM 1722 HA ASN A 98 -3.127 -1.043 12.273 1.00 0.00 H ATOM 1723 HB2 ASN A 98 -2.415 -2.220 9.587 1.00 0.00 H ATOM 1724 HB3 ASN A 98 -3.063 -0.571 9.746 1.00 0.00 H ATOM 1725 HD22 ASN A 98 -1.841 0.377 12.080 1.00 0.00 H ATOM 1726 HD21 ASN A 98 -0.063 0.433 11.798 1.00 0.00 H ATOM 1727 H ASN A 98 -2.595 -3.814 11.386 1.00 0.00 H ATOM 1728 N HIS A 99 -5.562 -2.819 11.629 1.00 0.00 N ATOM 1729 CA HIS A 99 -7.011 -2.860 11.434 1.00 0.00 C ATOM 1730 C HIS A 99 -7.670 -1.559 11.934 1.00 0.00 C ATOM 1731 O HIS A 99 -7.564 -1.194 13.108 1.00 0.00 O ATOM 1732 CB HIS A 99 -7.622 -4.188 11.923 1.00 0.00 C ATOM 1733 CG HIS A 99 -8.136 -4.237 13.341 1.00 0.00 C ATOM 1734 ND1 HIS A 99 -7.498 -3.795 14.480 1.00 0.00 N ATOM 1735 CD2 HIS A 99 -9.370 -4.698 13.714 1.00 0.00 C ATOM 1736 CE1 HIS A 99 -8.340 -3.939 15.515 1.00 0.00 C ATOM 1737 NE2 HIS A 99 -9.492 -4.481 15.089 1.00 0.00 N ATOM 1738 HA HIS A 99 -7.240 -2.874 10.369 1.00 0.00 H ATOM 1739 HB2 HIS A 99 -8.457 -4.426 11.264 1.00 0.00 H ATOM 1740 HB3 HIS A 99 -6.855 -4.956 11.827 1.00 0.00 H ATOM 1741 HD2 HIS A 99 -10.117 -5.149 13.061 1.00 0.00 H ATOM 1742 HE1 HIS A 99 -8.122 -3.658 16.545 1.00 0.00 H ATOM 1743 H HIS A 99 -5.094 -3.641 12.061 1.00 0.00 H ATOM 1744 N GLU A 100 -8.338 -0.844 11.033 1.00 0.00 N ATOM 1745 CA GLU A 100 -9.004 0.438 11.257 1.00 0.00 C ATOM 1746 C GLU A 100 -10.481 0.384 10.865 1.00 0.00 C ATOM 1747 O GLU A 100 -10.950 -0.639 10.364 1.00 0.00 O ATOM 1748 CB GLU A 100 -8.253 1.462 10.386 1.00 0.00 C ATOM 1749 CG GLU A 100 -7.012 2.038 11.065 1.00 0.00 C ATOM 1750 CD GLU A 100 -7.344 3.257 11.927 1.00 0.00 C ATOM 1751 OE1 GLU A 100 -8.207 3.164 12.829 1.00 0.00 O ATOM 1752 OE2 GLU A 100 -6.736 4.329 11.689 1.00 0.00 O ATOM 1753 HA GLU A 100 -8.979 0.706 12.313 1.00 0.00 H ATOM 1754 HB2 GLU A 100 -7.946 0.972 9.462 1.00 0.00 H ATOM 1755 HB3 GLU A 100 -8.932 2.282 10.152 1.00 0.00 H ATOM 1756 HG2 GLU A 100 -6.568 1.270 11.698 1.00 0.00 H ATOM 1757 HG3 GLU A 100 -6.296 2.333 10.298 1.00 0.00 H ATOM 1758 H GLU A 100 -8.392 -1.237 10.072 1.00 0.00 H ATOM 1759 N GLU A 101 -11.230 1.464 11.097 1.00 0.00 N ATOM 1760 CA GLU A 101 -12.646 1.543 10.746 1.00 0.00 C ATOM 1761 C GLU A 101 -12.831 1.751 9.236 1.00 0.00 C ATOM 1762 O GLU A 101 -13.940 1.572 8.723 1.00 0.00 O ATOM 1763 CB GLU A 101 -13.341 2.662 11.543 1.00 0.00 C ATOM 1764 CG GLU A 101 -13.764 2.217 12.949 1.00 0.00 C ATOM 1765 CD GLU A 101 -14.937 1.238 12.898 1.00 0.00 C ATOM 1766 OE1 GLU A 101 -16.089 1.682 12.685 1.00 0.00 O ATOM 1767 OE2 GLU A 101 -14.715 0.012 13.032 1.00 0.00 O ATOM 1768 HA GLU A 101 -13.112 0.594 11.011 1.00 0.00 H ATOM 1769 HB2 GLU A 101 -12.653 3.502 11.636 1.00 0.00 H ATOM 1770 HB3 GLU A 101 -14.229 2.979 10.996 1.00 0.00 H ATOM 1771 HG2 GLU A 101 -12.918 1.732 13.437 1.00 0.00 H ATOM 1772 HG3 GLU A 101 -14.059 3.094 13.525 1.00 0.00 H ATOM 1773 H GLU A 101 -10.785 2.288 11.549 1.00 0.00 H ATOM 1774 N ASP A 102 -11.761 2.124 8.529 1.00 0.00 N ATOM 1775 CA ASP A 102 -11.693 2.362 7.083 1.00 0.00 C ATOM 1776 C ASP A 102 -11.211 1.114 6.334 1.00 0.00 C ATOM 1777 O ASP A 102 -11.599 0.909 5.186 1.00 0.00 O ATOM 1778 CB ASP A 102 -10.727 3.518 6.771 1.00 0.00 C ATOM 1779 CG ASP A 102 -9.374 3.458 7.496 1.00 0.00 C ATOM 1780 OD1 ASP A 102 -8.568 2.553 7.185 1.00 0.00 O ATOM 1781 OD2 ASP A 102 -9.147 4.271 8.423 1.00 0.00 O ATOM 1782 HA ASP A 102 -12.700 2.615 6.752 1.00 0.00 H ATOM 1783 HB2 ASP A 102 -10.535 3.516 5.698 1.00 0.00 H ATOM 1784 HB3 ASP A 102 -11.217 4.451 7.049 1.00 0.00 H ATOM 1785 H ASP A 102 -10.879 2.261 9.062 1.00 0.00 H ATOM 1786 N TYR A 103 -10.434 0.248 6.993 1.00 0.00 N ATOM 1787 CA TYR A 103 -9.861 -0.996 6.476 1.00 0.00 C ATOM 1788 C TYR A 103 -8.739 -0.798 5.436 1.00 0.00 C ATOM 1789 O TYR A 103 -8.505 -1.698 4.616 1.00 0.00 O ATOM 1790 CB TYR A 103 -10.934 -1.936 5.906 1.00 0.00 C ATOM 1791 CG TYR A 103 -12.188 -2.221 6.713 1.00 0.00 C ATOM 1792 CD1 TYR A 103 -12.118 -2.483 8.093 1.00 0.00 C ATOM 1793 CD2 TYR A 103 -13.414 -2.381 6.041 1.00 0.00 C ATOM 1794 CE1 TYR A 103 -13.271 -2.849 8.808 1.00 0.00 C ATOM 1795 CE2 TYR A 103 -14.561 -2.788 6.738 1.00 0.00 C ATOM 1796 CZ TYR A 103 -14.501 -3.003 8.133 1.00 0.00 C ATOM 1797 OH TYR A 103 -15.627 -3.388 8.797 1.00 0.00 O ATOM 1798 HA TYR A 103 -9.403 -1.459 7.350 1.00 0.00 H ATOM 1799 HB3 TYR A 103 -10.450 -2.895 5.724 1.00 0.00 H ATOM 1800 HB2 TYR A 103 -11.258 -1.508 4.957 1.00 0.00 H ATOM 1801 HD2 TYR A 103 -13.473 -2.187 4.970 1.00 0.00 H ATOM 1802 HE2 TYR A 103 -15.499 -2.938 6.203 1.00 0.00 H ATOM 1803 HE1 TYR A 103 -13.216 -3.014 9.884 1.00 0.00 H ATOM 1804 HD1 TYR A 103 -11.163 -2.402 8.612 1.00 0.00 H ATOM 1805 HH TYR A 103 -15.421 -3.496 9.759 1.00 0.00 H ATOM 1806 H TYR A 103 -10.212 0.484 7.981 1.00 0.00 H ATOM 1807 N PHE A 104 -8.066 0.354 5.426 1.00 0.00 N ATOM 1808 CA PHE A 104 -6.981 0.669 4.501 1.00 0.00 C ATOM 1809 C PHE A 104 -5.647 0.459 5.222 1.00 0.00 C ATOM 1810 O PHE A 104 -5.584 0.532 6.451 1.00 0.00 O ATOM 1811 CB PHE A 104 -7.111 2.122 3.997 1.00 0.00 C ATOM 1812 CG PHE A 104 -8.003 2.364 2.793 1.00 0.00 C ATOM 1813 CD1 PHE A 104 -9.312 1.856 2.756 1.00 0.00 C ATOM 1814 CD2 PHE A 104 -7.545 3.166 1.729 1.00 0.00 C ATOM 1815 CE1 PHE A 104 -10.142 2.136 1.661 1.00 0.00 C ATOM 1816 CE2 PHE A 104 -8.378 3.445 0.633 1.00 0.00 C ATOM 1817 CZ PHE A 104 -9.682 2.933 0.603 1.00 0.00 C ATOM 1818 HA PHE A 104 -7.030 0.012 3.633 1.00 0.00 H ATOM 1819 HB2 PHE A 104 -7.502 2.721 4.820 1.00 0.00 H ATOM 1820 HB3 PHE A 104 -6.111 2.470 3.739 1.00 0.00 H ATOM 1821 HD2 PHE A 104 -6.535 3.574 1.757 1.00 0.00 H ATOM 1822 HE2 PHE A 104 -8.012 4.057 -0.191 1.00 0.00 H ATOM 1823 HZ PHE A 104 -10.337 3.154 -0.240 1.00 0.00 H ATOM 1824 HE1 PHE A 104 -11.153 1.731 1.632 1.00 0.00 H ATOM 1825 HD1 PHE A 104 -9.683 1.244 3.578 1.00 0.00 H ATOM 1826 H PHE A 104 -8.332 1.077 6.125 1.00 0.00 H ATOM 1827 N LEU A 105 -4.584 0.164 4.460 1.00 0.00 N ATOM 1828 CA LEU A 105 -3.237 -0.050 4.982 1.00 0.00 C ATOM 1829 C LEU A 105 -2.310 0.950 4.295 1.00 0.00 C ATOM 1830 O LEU A 105 -2.293 1.030 3.066 1.00 0.00 O ATOM 1831 CB LEU A 105 -2.814 -1.522 4.781 1.00 0.00 C ATOM 1832 CG LEU A 105 -2.689 -2.332 6.088 1.00 0.00 C ATOM 1833 CD1 LEU A 105 -1.436 -1.923 6.868 1.00 0.00 C ATOM 1834 CD2 LEU A 105 -3.941 -2.220 6.973 1.00 0.00 C ATOM 1835 HA LEU A 105 -3.190 0.124 6.057 1.00 0.00 H ATOM 1836 HB2 LEU A 105 -3.557 -2.007 4.148 1.00 0.00 H ATOM 1837 HB3 LEU A 105 -1.847 -1.534 4.278 1.00 0.00 H ATOM 1838 HG LEU A 105 -2.595 -3.379 5.800 1.00 0.00 H ATOM 1839 HD21 LEU A 105 -4.104 -1.176 7.239 1.00 0.00 H ATOM 1840 HD22 LEU A 105 -4.806 -2.596 6.426 1.00 0.00 H ATOM 1841 HD23 LEU A 105 -3.798 -2.809 7.879 1.00 0.00 H ATOM 1842 HD11 LEU A 105 -0.553 -2.106 6.256 1.00 0.00 H ATOM 1843 HD12 LEU A 105 -1.494 -0.863 7.116 1.00 0.00 H ATOM 1844 HD13 LEU A 105 -1.373 -2.509 7.785 1.00 0.00 H ATOM 1845 H LEU A 105 -4.728 0.082 3.433 1.00 0.00 H ATOM 1846 N TYR A 106 -1.523 1.702 5.062 1.00 0.00 N ATOM 1847 CA TYR A 106 -0.603 2.710 4.548 1.00 0.00 C ATOM 1848 C TYR A 106 0.846 2.213 4.563 1.00 0.00 C ATOM 1849 O TYR A 106 1.319 1.742 5.598 1.00 0.00 O ATOM 1850 CB TYR A 106 -0.759 3.995 5.375 1.00 0.00 C ATOM 1851 CG TYR A 106 0.251 5.049 4.980 1.00 0.00 C ATOM 1852 CD1 TYR A 106 0.022 5.864 3.857 1.00 0.00 C ATOM 1853 CD2 TYR A 106 1.471 5.131 5.674 1.00 0.00 C ATOM 1854 CE1 TYR A 106 1.036 6.721 3.397 1.00 0.00 C ATOM 1855 CE2 TYR A 106 2.482 5.994 5.232 1.00 0.00 C ATOM 1856 CZ TYR A 106 2.277 6.771 4.072 1.00 0.00 C ATOM 1857 OH TYR A 106 3.273 7.566 3.601 1.00 0.00 O ATOM 1858 HA TYR A 106 -0.850 2.917 3.507 1.00 0.00 H ATOM 1859 HB3 TYR A 106 -0.623 3.754 6.429 1.00 0.00 H ATOM 1860 HB2 TYR A 106 -1.762 4.393 5.221 1.00 0.00 H ATOM 1861 HD2 TYR A 106 1.631 4.519 6.562 1.00 0.00 H ATOM 1862 HE2 TYR A 106 3.421 6.065 5.781 1.00 0.00 H ATOM 1863 HE1 TYR A 106 0.866 7.347 2.521 1.00 0.00 H ATOM 1864 HD1 TYR A 106 -0.940 5.831 3.345 1.00 0.00 H ATOM 1865 HH TYR A 106 2.961 8.036 2.787 1.00 0.00 H ATOM 1866 H TYR A 106 -1.567 1.562 6.092 1.00 0.00 H ATOM 1867 N VAL A 107 1.572 2.333 3.440 1.00 0.00 N ATOM 1868 CA VAL A 107 2.968 1.910 3.327 1.00 0.00 C ATOM 1869 C VAL A 107 3.796 3.030 2.683 1.00 0.00 C ATOM 1870 O VAL A 107 3.502 3.528 1.588 1.00 0.00 O ATOM 1871 CB VAL A 107 3.067 0.574 2.556 1.00 0.00 C ATOM 1872 CG1 VAL A 107 4.517 0.186 2.225 1.00 0.00 C ATOM 1873 CG2 VAL A 107 2.450 -0.576 3.369 1.00 0.00 C ATOM 1874 HA VAL A 107 3.381 1.728 4.319 1.00 0.00 H ATOM 1875 HB VAL A 107 2.520 0.730 1.626 1.00 0.00 H ATOM 1876 HG11 VAL A 107 4.968 0.963 1.607 1.00 0.00 H ATOM 1877 HG12 VAL A 107 5.084 0.081 3.150 1.00 0.00 H ATOM 1878 HG13 VAL A 107 4.524 -0.760 1.684 1.00 0.00 H ATOM 1879 HG21 VAL A 107 2.982 -0.677 4.315 1.00 0.00 H ATOM 1880 HG22 VAL A 107 1.399 -0.360 3.563 1.00 0.00 H ATOM 1881 HG23 VAL A 107 2.533 -1.504 2.804 1.00 0.00 H ATOM 1882 H VAL A 107 1.116 2.750 2.603 1.00 0.00 H ATOM 1883 N ALA A 108 4.881 3.384 3.370 1.00 0.00 N ATOM 1884 CA ALA A 108 5.836 4.399 2.981 1.00 0.00 C ATOM 1885 C ALA A 108 7.184 3.751 2.683 1.00 0.00 C ATOM 1886 O ALA A 108 7.528 2.745 3.307 1.00 0.00 O ATOM 1887 CB ALA A 108 6.027 5.394 4.123 1.00 0.00 C ATOM 1888 HA ALA A 108 5.460 4.911 2.095 1.00 0.00 H ATOM 1889 HB1 ALA A 108 5.072 5.866 4.355 1.00 0.00 H ATOM 1890 HB2 ALA A 108 6.397 4.868 5.003 1.00 0.00 H ATOM 1891 HB3 ALA A 108 6.747 6.155 3.823 1.00 0.00 H ATOM 1892 H ALA A 108 5.057 2.886 4.266 1.00 0.00 H ATOM 1893 N TYR A 109 7.973 4.343 1.786 1.00 0.00 N ATOM 1894 CA TYR A 109 9.305 3.836 1.443 1.00 0.00 C ATOM 1895 C TYR A 109 10.302 4.991 1.316 1.00 0.00 C ATOM 1896 O TYR A 109 9.928 6.069 0.844 1.00 0.00 O ATOM 1897 CB TYR A 109 9.254 2.942 0.196 1.00 0.00 C ATOM 1898 CG TYR A 109 8.769 3.599 -1.085 1.00 0.00 C ATOM 1899 CD1 TYR A 109 7.394 3.627 -1.389 1.00 0.00 C ATOM 1900 CD2 TYR A 109 9.693 4.168 -1.981 1.00 0.00 C ATOM 1901 CE1 TYR A 109 6.942 4.223 -2.580 1.00 0.00 C ATOM 1902 CE2 TYR A 109 9.245 4.763 -3.175 1.00 0.00 C ATOM 1903 CZ TYR A 109 7.867 4.798 -3.478 1.00 0.00 C ATOM 1904 OH TYR A 109 7.440 5.383 -4.629 1.00 0.00 O ATOM 1905 HA TYR A 109 9.661 3.201 2.254 1.00 0.00 H ATOM 1906 HB3 TYR A 109 8.589 2.106 0.413 1.00 0.00 H ATOM 1907 HB2 TYR A 109 10.261 2.566 0.016 1.00 0.00 H ATOM 1908 HD2 TYR A 109 10.758 4.148 -1.750 1.00 0.00 H ATOM 1909 HE2 TYR A 109 9.965 5.198 -3.868 1.00 0.00 H ATOM 1910 HE1 TYR A 109 5.877 4.241 -2.810 1.00 0.00 H ATOM 1911 HD1 TYR A 109 6.677 3.185 -0.698 1.00 0.00 H ATOM 1912 HH TYR A 109 6.454 5.320 -4.684 1.00 0.00 H ATOM 1913 H TYR A 109 7.629 5.201 1.309 1.00 0.00 H ATOM 1914 N SER A 110 11.559 4.768 1.716 1.00 0.00 N ATOM 1915 CA SER A 110 12.625 5.761 1.665 1.00 0.00 C ATOM 1916 C SER A 110 14.006 5.113 1.582 1.00 0.00 C ATOM 1917 O SER A 110 14.161 3.922 1.851 1.00 0.00 O ATOM 1918 CB SER A 110 12.596 6.629 2.929 1.00 0.00 C ATOM 1919 OG SER A 110 13.336 7.813 2.705 1.00 0.00 O ATOM 1920 HA SER A 110 12.454 6.360 0.771 1.00 0.00 H ATOM 1921 HB2 SER A 110 13.036 6.077 3.759 1.00 0.00 H ATOM 1922 HB3 SER A 110 11.564 6.885 3.171 1.00 0.00 H ATOM 1923 HG SER A 110 13.317 8.372 3.522 1.00 0.00 H ATOM 1924 H SER A 110 11.791 3.825 2.088 1.00 0.00 H ATOM 1925 N ASP A 111 14.990 5.908 1.158 1.00 0.00 N ATOM 1926 CA ASP A 111 16.399 5.525 1.044 1.00 0.00 C ATOM 1927 C ASP A 111 17.018 5.609 2.442 1.00 0.00 C ATOM 1928 O ASP A 111 17.899 4.828 2.795 1.00 0.00 O ATOM 1929 CB ASP A 111 17.123 6.494 0.105 1.00 0.00 C ATOM 1930 CG ASP A 111 18.547 6.061 -0.228 1.00 0.00 C ATOM 1931 OD1 ASP A 111 18.690 5.216 -1.135 1.00 0.00 O ATOM 1932 OD2 ASP A 111 19.524 6.657 0.291 1.00 0.00 O ATOM 1933 HA ASP A 111 16.489 4.516 0.642 1.00 0.00 H ATOM 1934 HB2 ASP A 111 16.556 6.565 -0.824 1.00 0.00 H ATOM 1935 HB3 ASP A 111 17.161 7.474 0.581 1.00 0.00 H ATOM 1936 H ASP A 111 14.736 6.879 0.886 1.00 0.00 H ATOM 1937 N GLU A 112 16.573 6.592 3.235 1.00 0.00 N ATOM 1938 CA GLU A 112 17.001 6.840 4.597 1.00 0.00 C ATOM 1939 C GLU A 112 15.808 7.268 5.450 1.00 0.00 C ATOM 1940 O GLU A 112 14.897 7.950 4.967 1.00 0.00 O ATOM 1941 CB GLU A 112 18.164 7.834 4.639 1.00 0.00 C ATOM 1942 CG GLU A 112 17.975 9.170 3.908 1.00 0.00 C ATOM 1943 CD GLU A 112 19.238 10.019 4.087 1.00 0.00 C ATOM 1944 OE1 GLU A 112 20.309 9.614 3.575 1.00 0.00 O ATOM 1945 OE2 GLU A 112 19.191 11.057 4.783 1.00 0.00 O ATOM 1946 HA GLU A 112 17.386 5.916 5.028 1.00 0.00 H ATOM 1947 HB2 GLU A 112 18.365 8.059 5.686 1.00 0.00 H ATOM 1948 HB3 GLU A 112 19.032 7.341 4.202 1.00 0.00 H ATOM 1949 HG2 GLU A 112 17.805 8.986 2.847 1.00 0.00 H ATOM 1950 HG3 GLU A 112 17.117 9.697 4.326 1.00 0.00 H ATOM 1951 H GLU A 112 15.857 7.234 2.838 1.00 0.00 H ATOM 1952 N SER A 113 15.764 6.817 6.703 1.00 0.00 N ATOM 1953 CA SER A 113 14.705 7.155 7.644 1.00 0.00 C ATOM 1954 C SER A 113 14.916 8.586 8.157 1.00 0.00 C ATOM 1955 O SER A 113 15.703 8.768 9.080 1.00 0.00 O ATOM 1956 CB SER A 113 14.678 6.117 8.789 1.00 0.00 C ATOM 1957 OG SER A 113 15.948 5.545 9.106 1.00 0.00 O ATOM 1958 HA SER A 113 13.733 7.122 7.152 1.00 0.00 H ATOM 1959 HB2 SER A 113 14.004 5.310 8.500 1.00 0.00 H ATOM 1960 HB3 SER A 113 14.293 6.607 9.683 1.00 0.00 H ATOM 1961 HG SER A 113 15.841 4.895 9.845 1.00 0.00 H ATOM 1962 H SER A 113 16.527 6.189 7.027 1.00 0.00 H ATOM 1963 N VAL A 114 14.221 9.600 7.629 1.00 0.00 N ATOM 1964 CA VAL A 114 14.366 10.990 8.083 1.00 0.00 C ATOM 1965 C VAL A 114 12.982 11.628 8.061 1.00 0.00 C ATOM 1966 O VAL A 114 12.364 11.716 6.997 1.00 0.00 O ATOM 1967 CB VAL A 114 15.365 11.786 7.212 1.00 0.00 C ATOM 1968 CG1 VAL A 114 15.729 13.118 7.890 1.00 0.00 C ATOM 1969 CG2 VAL A 114 16.673 11.033 6.959 1.00 0.00 C ATOM 1970 HA VAL A 114 14.777 11.004 9.093 1.00 0.00 H ATOM 1971 HB VAL A 114 14.860 11.946 6.260 1.00 0.00 H ATOM 1972 HG11 VAL A 114 14.826 13.713 8.027 1.00 0.00 H ATOM 1973 HG12 VAL A 114 16.185 12.918 8.860 1.00 0.00 H ATOM 1974 HG13 VAL A 114 16.433 13.664 7.262 1.00 0.00 H ATOM 1975 HG21 VAL A 114 17.159 10.822 7.911 1.00 0.00 H ATOM 1976 HG22 VAL A 114 16.458 10.097 6.444 1.00 0.00 H ATOM 1977 HG23 VAL A 114 17.330 11.646 6.342 1.00 0.00 H ATOM 1978 H VAL A 114 13.548 9.395 6.863 1.00 0.00 H ATOM 1979 N TYR A 115 12.449 11.974 9.235 1.00 0.00 N ATOM 1980 CA TYR A 115 11.138 12.600 9.354 1.00 0.00 C ATOM 1981 C TYR A 115 11.234 14.026 8.836 1.00 0.00 C ATOM 1982 O TYR A 115 12.320 14.637 8.971 1.00 0.00 O ATOM 1983 CB TYR A 115 10.666 12.553 10.812 1.00 0.00 C ATOM 1984 CG TYR A 115 9.166 12.682 10.989 1.00 0.00 C ATOM 1985 CD1 TYR A 115 8.325 11.659 10.514 1.00 0.00 C ATOM 1986 CD2 TYR A 115 8.615 13.777 11.682 1.00 0.00 C ATOM 1987 CE1 TYR A 115 6.945 11.701 10.767 1.00 0.00 C ATOM 1988 CE2 TYR A 115 7.229 13.832 11.925 1.00 0.00 C ATOM 1989 CZ TYR A 115 6.391 12.780 11.491 1.00 0.00 C ATOM 1990 OH TYR A 115 5.058 12.817 11.755 1.00 0.00 O ATOM 1991 HA TYR A 115 10.401 12.062 8.759 1.00 0.00 H ATOM 1992 HB3 TYR A 115 11.145 13.370 11.352 1.00 0.00 H ATOM 1993 HB2 TYR A 115 10.980 11.602 11.242 1.00 0.00 H ATOM 1994 HD2 TYR A 115 9.262 14.582 12.030 1.00 0.00 H ATOM 1995 HE2 TYR A 115 6.802 14.687 12.449 1.00 0.00 H ATOM 1996 HE1 TYR A 115 6.300 10.900 10.404 1.00 0.00 H ATOM 1997 HD1 TYR A 115 8.747 10.830 9.947 1.00 0.00 H ATOM 1998 HH TYR A 115 4.626 12.008 11.382 1.00 0.00 H ATOM 1999 H TYR A 115 12.993 11.789 10.102 1.00 0.00 H TER 2000 TYR A 115 HETATM 2001 N GLY A 1 -23.398 9.420 -0.012 1.00 0.24 N HETATM 2002 CA GLY A 1 -23.834 8.997 -1.342 1.00 0.05 C HETATM 2003 C GLY A 1 -24.082 7.505 -1.403 1.00 0.22 C HETATM 2004 O GLY A 1 -23.887 6.804 -0.408 1.00 -0.39 O HETATM 2005 N GLY A 1 -24.549 7.030 -2.559 1.00 -0.26 N HETATM 2006 CA GLY A 1 -24.860 5.634 -2.832 1.00 0.13 C HETATM 2007 C GLY A 1 -24.292 5.271 -4.201 1.00 0.20 C HETATM 2008 O GLY A 1 -24.814 5.704 -5.231 1.00 -0.39 O HETATM 2009 N GLY A 1 -23.189 4.534 -4.201 1.00 -0.26 N HETATM 2010 CA GLY A 1 -22.494 4.073 -5.391 1.00 0.13 C HETATM 2011 C GLY A 1 -23.332 2.996 -6.082 1.00 0.20 C HETATM 2012 O GLY A 1 -24.023 2.233 -5.401 1.00 -0.39 O HETATM 2013 N GLY A 1 -23.224 2.927 -7.408 1.00 -0.27 N HETATM 2014 CA GLY A 1 -23.910 1.988 -8.283 1.00 0.12 C HETATM 2015 C GLY A 1 -22.972 1.536 -9.399 1.00 0.20 C HETATM 2016 O GLY A 1 -23.199 1.906 -10.553 1.00 -0.39 O HETATM 2017 N GLY A 1 -21.834 0.927 -9.053 1.00 -0.26 N HETATM 2018 CA GLY A 1 -20.858 0.444 -10.032 1.00 0.15 C HETATM 2019 C GLY A 1 -21.184 -1.015 -10.400 1.00 0.21 C HETATM 2020 O GLY A 1 -22.111 -1.624 -9.851 1.00 -0.39 O HETATM 2021 N GLY A 1 -20.481 -1.553 -11.396 1.00 -0.26 N HETATM 2022 CA GLY A 1 -20.589 -2.929 -11.884 1.00 0.13 C HETATM 2023 C GLY A 1 -19.175 -3.508 -11.841 1.00 0.20 C HETATM 2024 O GLY A 1 -18.964 -4.609 -11.336 1.00 -0.39 O HETATM 2025 N GLY A 1 -18.208 -2.751 -12.360 1.00 -0.26 N HETATM 2026 CA GLY A 1 -16.809 -3.121 -12.350 1.00 0.15 C HETATM 2027 C GLY A 1 -16.292 -2.831 -10.937 1.00 0.21 C HETATM 2028 O GLY A 1 -16.833 -1.956 -10.253 1.00 -0.39 O HETATM 2029 N GLY A 1 -15.268 -3.563 -10.502 1.00 -0.26 N HETATM 2030 CA GLY A 1 -14.675 -3.384 -9.187 1.00 0.15 C HETATM 2031 C GLY A 1 -14.046 -1.991 -9.097 1.00 0.21 C HETATM 2032 O GLY A 1 -13.696 -1.385 -10.114 1.00 -0.39 O HETATM 2033 N GLY A 1 -13.825 -1.519 -7.875 1.00 -0.26 N HETATM 2034 CA GLY A 1 -13.254 -0.201 -7.641 1.00 0.13 C HETATM 2035 C GLY A 1 -11.786 -0.187 -8.095 1.00 0.20 C HETATM 2036 O GLY A 1 -11.122 -1.224 -8.082 1.00 -0.39 O HETATM 2037 N GLY A 1 -11.258 0.976 -8.471 1.00 -0.26 N HETATM 2038 CA GLY A 1 -9.892 1.166 -8.960 1.00 0.14 C HETATM 2039 C GLY A 1 -8.822 0.847 -7.915 1.00 0.21 C HETATM 2040 O GLY A 1 -8.592 1.650 -7.008 1.00 -0.39 O HETATM 2041 N GLY A 1 -8.125 -0.284 -8.069 1.00 -0.26 N HETATM 2042 CA GLY A 1 -7.058 -0.763 -7.190 1.00 0.14 C HETATM 2043 C GLY A 1 -6.181 -1.694 -8.029 1.00 0.21 C HETATM 2044 O GLY A 1 -6.707 -2.650 -8.619 1.00 -0.39 O HETATM 2045 N GLY A 1 -4.865 -1.458 -8.052 1.00 -0.26 N HETATM 2046 CA GLY A 1 -3.942 -2.266 -8.846 1.00 0.13 C HETATM 2047 C GLY A 1 -3.531 -3.520 -8.062 1.00 0.20 C HETATM 2048 O GLY A 1 -2.733 -3.463 -7.128 1.00 -0.39 O HETATM 2049 N GLY A 1 -4.124 -4.662 -8.394 1.00 -0.26 N HETATM 2050 CA GLY A 1 -3.840 -5.940 -7.753 1.00 0.13 C HETATM 2051 C GLY A 1 -2.513 -6.459 -8.304 1.00 0.20 C HETATM 2052 O GLY A 1 -2.255 -6.325 -9.498 1.00 -0.39 O HETATM 2053 N GLY A 1 -1.683 -7.069 -7.463 1.00 -0.26 N HETATM 2054 CA GLY A 1 -0.408 -7.652 -7.863 1.00 0.13 C HETATM 2055 C GLY A 1 -0.477 -9.092 -7.353 1.00 0.20 C HETATM 2056 O GLY A 1 0.014 -9.403 -6.269 1.00 -0.39 O HETATM 2057 N GLY A 1 -1.144 -9.962 -8.116 1.00 -0.26 N HETATM 2058 CA GLY A 1 -1.317 -11.367 -7.768 1.00 0.13 C HETATM 2059 C GLY A 1 -1.424 -12.182 -9.068 1.00 0.21 C HETATM 2060 O GLY A 1 -2.517 -12.258 -9.641 1.00 -0.39 O HETATM 2061 N GLY A 1 -0.306 -12.690 -9.617 1.00 -0.25 N HETATM 2062 CA GLY A 1 -0.288 -13.493 -10.838 1.00 0.13 C HETATM 2063 C GLY A 1 -0.775 -14.915 -10.519 1.00 0.20 C HETATM 2064 O GLY A 1 -1.091 -15.216 -9.372 1.00 -0.39 O HETATM 2065 N GLY A 1 -0.824 -15.816 -11.503 1.00 -0.26 N HETATM 2066 CA GLY A 1 -1.267 -17.194 -11.254 1.00 0.13 C HETATM 2067 C GLY A 1 -0.228 -18.006 -10.469 1.00 0.20 C HETATM 2068 O GLY A 1 -0.503 -19.140 -10.071 1.00 -0.39 O HETATM 2069 N GLY A 1 0.970 -17.447 -10.286 1.00 -0.27 N HETATM 2070 CA GLY A 1 2.059 -18.067 -9.567 1.00 0.12 C HETATM 2071 C GLY A 1 1.875 -17.750 -8.087 1.00 0.06 C HETATM 2072 O GLY A 1 1.886 -18.688 -7.256 1.00 -0.57 O HETATM 2073 O1 GLY A 1 1.714 -16.560 -7.704 1.00 -0.57 O HETATM 2074 CB GLY A 1 3.387 -17.534 -10.128 1.00 0.08 C HETATM 2075 OG GLY A 1 4.445 -18.446 -9.908 1.00 -0.39 O HETATM 2076 H GLY A 1 5.258 -18.085 -10.269 1.00 0.21 H HETATM 2077 H GLY A 1 3.626 -16.599 -9.621 1.00 0.06 H HETATM 2078 H GLY A 1 3.275 -17.388 -11.202 1.00 0.06 H HETATM 2079 H GLY A 1 2.071 -19.150 -9.686 1.00 0.07 H HETATM 2080 H GLY A 1 1.127 -16.520 -10.680 1.00 0.19 H HETATM 2081 CB GLY A 1 -1.601 -17.885 -12.580 1.00 -0.00 C HETATM 2082 CG GLY A 1 -2.820 -18.805 -12.420 1.00 0.00 C HETATM 2083 CD GLY A 1 -3.430 -19.171 -13.768 1.00 0.04 C HETATM 2084 OE1 GLY A 1 -4.098 -18.305 -14.388 1.00 -0.57 O HETATM 2085 OE2 GLY A 1 -3.276 -20.325 -14.223 1.00 -0.57 O HETATM 2086 H GLY A 1 -3.573 -18.279 -11.834 1.00 0.04 H HETATM 2087 H GLY A 1 -2.496 -19.723 -11.929 1.00 0.04 H HETATM 2088 H GLY A 1 -0.745 -18.484 -12.890 1.00 0.03 H HETATM 2089 H GLY A 1 -1.829 -17.124 -13.326 1.00 0.03 H HETATM 2090 H GLY A 1 -2.164 -17.145 -10.637 1.00 0.08 H HETATM 2091 H GLY A 1 -0.548 -15.542 -12.446 1.00 0.19 H HETATM 2092 CB GLY A 1 1.180 -13.486 -11.270 1.00 -0.01 C HETATM 2093 CG GLY A 1 1.925 -13.492 -9.938 1.00 -0.03 C HETATM 2094 CD GLY A 1 1.028 -12.646 -9.036 1.00 0.04 C HETATM 2095 H GLY A 1 1.022 -13.035 -8.018 1.00 0.05 H HETATM 2096 H GLY A 1 1.393 -11.621 -8.976 1.00 0.05 H HETATM 2097 H GLY A 1 2.937 -13.094 -10.019 1.00 0.03 H HETATM 2098 H GLY A 1 2.086 -14.498 -9.549 1.00 0.03 H HETATM 2099 H GLY A 1 1.434 -12.629 -11.894 1.00 0.03 H HETATM 2100 H GLY A 1 1.439 -14.333 -11.905 1.00 0.03 H HETATM 2101 H GLY A 1 -0.939 -13.109 -11.624 1.00 0.08 H HETATM 2102 CB GLY A 1 -2.549 -11.498 -6.840 1.00 -0.01 C HETATM 2103 CG GLY A 1 -2.631 -12.774 -5.982 1.00 -0.04 C HETATM 2104 CD1 GLY A 1 -2.954 -14.027 -6.786 1.00 -0.06 C HETATM 2105 H GLY A 1 -3.918 -13.902 -7.279 1.00 0.02 H HETATM 2106 H GLY A 1 -2.179 -14.186 -7.535 1.00 0.02 H HETATM 2107 H GLY A 1 -2.996 -14.886 -6.116 1.00 0.02 H HETATM 2108 CD2 GLY A 1 -1.361 -13.007 -5.161 1.00 -0.06 C HETATM 2109 H GLY A 1 -0.509 -13.107 -5.833 1.00 0.02 H HETATM 2110 H GLY A 1 -1.202 -12.161 -4.493 1.00 0.02 H HETATM 2111 H GLY A 1 -1.471 -13.919 -4.574 1.00 0.02 H HETATM 2112 H GLY A 1 -3.463 -12.593 -5.302 1.00 0.03 H HETATM 2113 H GLY A 1 -3.420 -11.519 -7.496 1.00 0.03 H HETATM 2114 H GLY A 1 -2.488 -10.666 -6.138 1.00 0.03 H HETATM 2115 H GLY A 1 -0.466 -11.765 -7.216 1.00 0.08 H HETATM 2116 H GLY A 1 -1.554 -9.626 -8.988 1.00 0.19 H HETATM 2117 CB GLY A 1 0.784 -6.775 -7.402 1.00 -0.00 C HETATM 2118 CG1 GLY A 1 2.124 -7.425 -7.814 1.00 -0.05 C HETATM 2119 CD1 GLY A 1 3.341 -6.505 -7.638 1.00 -0.06 C HETATM 2120 H GLY A 1 3.212 -5.613 -8.251 1.00 0.02 H HETATM 2121 H GLY A 1 3.429 -6.218 -6.590 1.00 0.02 H HETATM 2122 H GLY A 1 4.242 -7.034 -7.948 1.00 0.02 H HETATM 2123 H GLY A 1 2.053 -7.670 -8.874 1.00 0.03 H HETATM 2124 H GLY A 1 2.276 -8.291 -7.170 1.00 0.03 H HETATM 2125 CG2 GLY A 1 0.770 -6.410 -5.907 1.00 -0.06 C HETATM 2126 H GLY A 1 -0.139 -5.854 -5.678 1.00 0.02 H HETATM 2127 H GLY A 1 0.799 -7.322 -5.311 1.00 0.02 H HETATM 2128 H GLY A 1 1.641 -5.796 -5.676 1.00 0.02 H HETATM 2129 H GLY A 1 0.671 -5.823 -7.920 1.00 0.03 H HETATM 2130 H GLY A 1 -0.229 -7.681 -8.938 1.00 0.08 H HETATM 2131 H GLY A 1 -1.954 -7.133 -6.482 1.00 0.19 H HETATM 2132 CB GLY A 1 -4.964 -6.962 -8.070 1.00 -0.00 C HETATM 2133 CG1 GLY A 1 -6.385 -6.445 -7.742 1.00 -0.05 C HETATM 2134 CD1 GLY A 1 -7.465 -7.168 -8.557 1.00 -0.06 C HETATM 2135 H GLY A 1 -7.283 -7.010 -9.620 1.00 0.02 H HETATM 2136 H GLY A 1 -7.432 -8.235 -8.336 1.00 0.02 H HETATM 2137 H GLY A 1 -8.445 -6.771 -8.292 1.00 0.02 H HETATM 2138 H GLY A 1 -6.426 -5.384 -7.989 1.00 0.03 H HETATM 2139 H GLY A 1 -6.578 -6.628 -6.685 1.00 0.03 H HETATM 2140 CG2 GLY A 1 -4.734 -8.285 -7.314 1.00 -0.06 C HETATM 2141 H GLY A 1 -3.777 -8.712 -7.614 1.00 0.02 H HETATM 2142 H GLY A 1 -4.727 -8.092 -6.241 1.00 0.02 H HETATM 2143 H GLY A 1 -5.536 -8.983 -7.554 1.00 0.02 H HETATM 2144 H GLY A 1 -4.911 -7.121 -9.147 1.00 0.03 H HETATM 2145 H GLY A 1 -3.786 -5.809 -6.672 1.00 0.08 H HETATM 2146 H GLY A 1 -4.818 -4.643 -9.141 1.00 0.19 H HETATM 2147 CB GLY A 1 -2.747 -1.399 -9.306 1.00 -0.00 C HETATM 2148 CG1 GLY A 1 -3.163 -0.059 -9.967 1.00 -0.05 C HETATM 2149 CD1 GLY A 1 -4.167 -0.178 -11.122 1.00 -0.06 C HETATM 2150 H GLY A 1 -3.737 -0.792 -11.913 1.00 0.02 H HETATM 2151 H GLY A 1 -5.084 -0.641 -10.758 1.00 0.02 H HETATM 2152 H GLY A 1 -4.390 0.815 -11.512 1.00 0.02 H HETATM 2153 H GLY A 1 -2.256 0.376 -10.387 1.00 0.03 H HETATM 2154 H GLY A 1 -3.650 0.533 -9.191 1.00 0.03 H HETATM 2155 CG2 GLY A 1 -1.839 -2.185 -10.265 1.00 -0.06 C HETATM 2156 H GLY A 1 -1.456 -3.070 -9.757 1.00 0.02 H HETATM 2157 H GLY A 1 -2.413 -2.487 -11.141 1.00 0.02 H HETATM 2158 H GLY A 1 -1.006 -1.554 -10.574 1.00 0.02 H HETATM 2159 H GLY A 1 -2.203 -1.147 -8.396 1.00 0.03 H HETATM 2160 H GLY A 1 -4.432 -2.621 -9.752 1.00 0.08 H HETATM 2161 H GLY A 1 -4.493 -0.688 -7.496 1.00 0.19 H HETATM 2162 CB GLY A 1 -7.660 -1.520 -5.993 1.00 0.02 C HETATM 2163 CG GLY A 1 -8.309 -0.611 -4.968 1.00 -0.05 C HETATM 2164 CD1 GLY A 1 -7.526 0.058 -4.012 1.00 -0.07 C HETATM 2165 CE1 GLY A 1 -8.103 1.046 -3.191 1.00 -0.04 C HETATM 2166 CZ GLY A 1 -9.471 1.366 -3.340 1.00 0.08 C HETATM 2167 CE2 GLY A 1 -10.267 0.652 -4.256 1.00 -0.04 C HETATM 2168 CD2 GLY A 1 -9.685 -0.340 -5.057 1.00 -0.07 C HETATM 2169 H GLY A 1 -10.304 -0.905 -5.754 1.00 0.05 H HETATM 2170 H GLY A 1 -11.332 0.870 -4.342 1.00 0.05 H HETATM 2171 OH GLY A 1 -10.009 2.414 -2.667 1.00 -0.34 O HETATM 2172 H GLY A 1 -10.304 3.078 -3.294 1.00 0.25 H HETATM 2173 H GLY A 1 -7.498 1.561 -2.445 1.00 0.05 H HETATM 2174 H GLY A 1 -6.470 -0.188 -3.906 1.00 0.05 H HETATM 2175 H GLY A 1 -6.846 -2.047 -5.495 1.00 0.05 H HETATM 2176 H GLY A 1 -8.434 -2.183 -6.380 1.00 0.05 H HETATM 2177 H GLY A 1 -6.472 0.065 -6.792 1.00 0.08 H HETATM 2178 H GLY A 1 -8.359 -0.866 -8.873 1.00 0.19 H HETATM 2179 CB GLY A 1 -9.718 2.618 -9.443 1.00 0.04 C HETATM 2180 CG GLY A 1 -10.202 2.838 -10.866 1.00 0.04 C HETATM 2181 OD1 GLY A 1 -11.420 3.045 -11.063 1.00 -0.57 O HETATM 2182 OD2 GLY A 1 -9.348 2.817 -11.781 1.00 -0.57 O HETATM 2183 H GLY A 1 -8.653 2.849 -9.417 1.00 0.05 H HETATM 2184 H GLY A 1 -10.312 3.257 -8.790 1.00 0.05 H HETATM 2185 H GLY A 1 -9.751 0.462 -9.780 1.00 0.08 H HETATM 2186 H GLY A 1 -11.854 1.802 -8.414 1.00 0.19 H HETATM 2187 CB GLY A 1 -13.447 0.198 -6.170 1.00 -0.00 C HETATM 2188 CG GLY A 1 -14.823 -0.145 -5.556 1.00 0.00 C HETATM 2189 CD GLY A 1 -15.993 -0.135 -6.546 1.00 0.04 C HETATM 2190 OE1 GLY A 1 -16.183 0.871 -7.265 1.00 -0.57 O HETATM 2191 OE2 GLY A 1 -16.669 -1.191 -6.615 1.00 -0.57 O HETATM 2192 H GLY A 1 -15.035 0.621 -4.810 1.00 0.04 H HETATM 2193 H GLY A 1 -14.750 -1.160 -5.165 1.00 0.04 H HETATM 2194 H GLY A 1 -13.354 1.283 -6.130 1.00 0.03 H HETATM 2195 H GLY A 1 -12.707 -0.362 -5.599 1.00 0.03 H HETATM 2196 H GLY A 1 -13.772 0.553 -8.234 1.00 0.08 H HETATM 2197 H GLY A 1 -14.064 -2.101 -7.072 1.00 0.19 H HETATM 2198 CB GLY A 1 -13.674 -4.518 -8.926 1.00 0.08 C HETATM 2199 OG GLY A 1 -12.681 -4.588 -9.943 1.00 -0.39 O HETATM 2200 H GLY A 1 -12.074 -5.306 -9.748 1.00 0.21 H HETATM 2201 H GLY A 1 -14.220 -5.462 -8.913 1.00 0.06 H HETATM 2202 H GLY A 1 -13.178 -4.326 -7.974 1.00 0.06 H HETATM 2203 H GLY A 1 -15.433 -3.439 -8.405 1.00 0.08 H HETATM 2204 H GLY A 1 -14.883 -4.280 -11.118 1.00 0.19 H HETATM 2205 CB GLY A 1 -16.063 -2.265 -13.375 1.00 0.08 C HETATM 2206 OG GLY A 1 -16.514 -2.522 -14.693 1.00 -0.39 O HETATM 2207 H GLY A 1 -16.027 -1.970 -15.310 1.00 0.21 H HETATM 2208 H GLY A 1 -15.002 -2.507 -13.320 1.00 0.06 H HETATM 2209 H GLY A 1 -16.246 -1.215 -13.146 1.00 0.06 H HETATM 2210 H GLY A 1 -16.661 -4.170 -12.606 1.00 0.08 H HETATM 2211 H GLY A 1 -18.468 -1.862 -12.788 1.00 0.19 H HETATM 2212 CB GLY A 1 -21.186 -2.990 -13.292 1.00 -0.02 C HETATM 2213 H GLY A 1 -22.184 -2.552 -13.281 1.00 0.03 H HETATM 2214 H GLY A 1 -20.550 -2.432 -13.979 1.00 0.03 H HETATM 2215 H GLY A 1 -21.248 -4.029 -13.614 1.00 0.03 H HETATM 2216 H GLY A 1 -21.268 -3.511 -11.261 1.00 0.08 H HETATM 2217 H GLY A 1 -19.804 -0.949 -11.862 1.00 0.19 H HETATM 2218 CB GLY A 1 -19.438 0.599 -9.452 1.00 0.08 C HETATM 2219 OG GLY A 1 -18.426 0.341 -10.414 1.00 -0.39 O HETATM 2220 H GLY A 1 -18.517 -0.558 -10.739 1.00 0.21 H HETATM 2221 H GLY A 1 -19.325 -0.123 -8.643 1.00 0.06 H HETATM 2222 H GLY A 1 -19.324 1.628 -9.112 1.00 0.06 H HETATM 2223 H GLY A 1 -20.907 1.032 -10.948 1.00 0.08 H HETATM 2224 H GLY A 1 -21.636 0.792 -8.062 1.00 0.19 H HETATM 2225 H GLY A 1 -24.781 2.476 -8.721 1.00 0.08 H HETATM 2226 H GLY A 1 -24.223 1.120 -7.703 1.00 0.08 H HETATM 2227 H GLY A 1 -22.599 3.598 -7.854 1.00 0.19 H HETATM 2228 CB GLY A 1 -21.142 3.500 -4.955 1.00 -0.00 C HETATM 2229 CG GLY A 1 -20.183 3.218 -6.106 1.00 -0.00 C HETATM 2230 SD GLY A 1 -18.585 2.647 -5.486 1.00 -0.16 S HETATM 2231 CE GLY A 1 -18.925 0.876 -5.291 1.00 -0.02 C HETATM 2232 H GLY A 1 -19.745 0.740 -4.586 1.00 0.03 H HETATM 2233 H GLY A 1 -19.200 0.452 -6.257 1.00 0.03 H HETATM 2234 H GLY A 1 -18.033 0.376 -4.914 1.00 0.03 H HETATM 2235 H GLY A 1 -20.032 4.138 -6.671 1.00 0.04 H HETATM 2236 H GLY A 1 -20.612 2.441 -6.738 1.00 0.04 H HETATM 2237 H GLY A 1 -21.340 2.549 -4.461 1.00 0.03 H HETATM 2238 H GLY A 1 -20.668 4.245 -4.316 1.00 0.03 H HETATM 2239 H GLY A 1 -22.340 4.893 -6.093 1.00 0.08 H HETATM 2240 H GLY A 1 -22.799 4.271 -3.296 1.00 0.19 H HETATM 2241 CB GLY A 1 -26.377 5.421 -2.789 1.00 -0.02 C HETATM 2242 H GLY A 1 -26.852 6.050 -3.542 1.00 0.03 H HETATM 2243 H GLY A 1 -26.602 4.374 -2.994 1.00 0.03 H HETATM 2244 H GLY A 1 -26.752 5.688 -1.801 1.00 0.03 H HETATM 2245 H GLY A 1 -24.412 4.989 -2.076 1.00 0.08 H HETATM 2246 H GLY A 1 -24.701 7.700 -3.313 1.00 0.19 H HETATM 2247 H GLY A 1 -23.047 9.243 -2.055 1.00 0.11 H HETATM 2248 H GLY A 1 -24.767 9.510 -1.576 1.00 0.11 H HETATM 2249 H GLY A 1 -23.242 10.428 -0.011 1.00 0.20 H HETATM 2250 H GLY A 1 -24.118 9.186 0.671 1.00 0.20 H HETATM 2251 H GLY A 1 -22.531 8.940 0.229 1.00 0.20 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 2001 2002 2249 2250 2251 CONECT 2002 2001 2003 2247 2248 CONECT 2003 2002 2004 2005 CONECT 2004 2003 CONECT 2005 2003 2006 2246 CONECT 2006 2005 2007 2241 2245 CONECT 2007 2006 2008 2009 CONECT 2008 2007 CONECT 2009 2007 2010 2240 CONECT 2010 2009 2011 2228 2239 CONECT 2011 2010 2012 2013 CONECT 2012 2011 CONECT 2013 2011 2014 2227 CONECT 2014 2013 2015 2225 2226 CONECT 2015 2014 2016 2017 CONECT 2016 2015 CONECT 2017 2015 2018 2224 CONECT 2018 2017 2019 2218 2223 CONECT 2019 2018 2020 2021 CONECT 2020 2019 CONECT 2021 2019 2022 2217 CONECT 2022 2021 2023 2212 2216 CONECT 2023 2022 2024 2025 CONECT 2024 2023 CONECT 2025 2023 2026 2211 CONECT 2026 2025 2027 2205 2210 CONECT 2027 2026 2028 2029 CONECT 2028 2027 CONECT 2029 2027 2030 2204 CONECT 2030 2029 2031 2198 2203 CONECT 2031 2030 2032 2033 CONECT 2032 2031 CONECT 2033 2031 2034 2197 CONECT 2034 2033 2035 2187 2196 CONECT 2035 2034 2036 2037 CONECT 2036 2035 CONECT 2037 2035 2038 2186 CONECT 2038 2037 2039 2179 2185 CONECT 2039 2038 2040 2041 CONECT 2040 2039 CONECT 2041 2039 2042 2178 CONECT 2042 2041 2043 2162 2177 CONECT 2043 2042 2044 2045 CONECT 2044 2043 CONECT 2045 2043 2046 2161 CONECT 2046 2045 2047 2147 2160 CONECT 2047 2046 2048 2049 CONECT 2048 2047 CONECT 2049 2047 2050 2146 CONECT 2050 2049 2051 2132 2145 CONECT 2051 2050 2052 2053 CONECT 2052 2051 CONECT 2053 2051 2054 2131 CONECT 2054 2053 2055 2117 2130 CONECT 2055 2054 2056 2057 CONECT 2056 2055 CONECT 2057 2055 2058 2116 CONECT 2058 2057 2059 2102 2115 CONECT 2059 2058 2060 2061 CONECT 2060 2059 CONECT 2061 2059 2062 2094 CONECT 2062 2061 2063 2092 2101 CONECT 2063 2062 2064 2065 CONECT 2064 2063 CONECT 2065 2063 2066 2091 CONECT 2066 2065 2067 2081 2090 CONECT 2067 2066 2068 2069 CONECT 2068 2067 CONECT 2069 2067 2070 2080 CONECT 2070 2069 2071 2074 2079 CONECT 2071 2070 2072 2073 CONECT 2072 2071 CONECT 2073 2071 CONECT 2074 2070 2075 2077 2078 CONECT 2075 2074 2076 CONECT 2076 2075 CONECT 2077 2074 CONECT 2078 2074 CONECT 2079 2070 CONECT 2080 2069 CONECT 2081 2066 2082 2088 2089 CONECT 2082 2081 2083 2086 2087 CONECT 2083 2082 2084 2085 CONECT 2084 2083 CONECT 2085 2083 CONECT 2086 2082 CONECT 2087 2082 CONECT 2088 2081 CONECT 2089 2081 CONECT 2090 2066 CONECT 2091 2065 CONECT 2092 2062 2093 2099 2100 CONECT 2093 2092 2094 2097 2098 CONECT 2094 2061 2093 2095 2096 CONECT 2095 2094 CONECT 2096 2094 CONECT 2097 2093 CONECT 2098 2093 CONECT 2099 2092 CONECT 2100 2092 CONECT 2101 2062 CONECT 2102 2058 2103 2113 2114 CONECT 2103 2102 2104 2108 2112 CONECT 2104 2103 2105 2106 2107 CONECT 2105 2104 CONECT 2106 2104 CONECT 2107 2104 CONECT 2108 2103 2109 2110 2111 CONECT 2109 2108 CONECT 2110 2108 CONECT 2111 2108 CONECT 2112 2103 CONECT 2113 2102 CONECT 2114 2102 CONECT 2115 2058 CONECT 2116 2057 CONECT 2117 2054 2118 2125 2129 CONECT 2118 2117 2119 2123 2124 CONECT 2119 2118 2120 2121 2122 CONECT 2120 2119 CONECT 2121 2119 CONECT 2122 2119 CONECT 2123 2118 CONECT 2124 2118 CONECT 2125 2117 2126 2127 2128 CONECT 2126 2125 CONECT 2127 2125 CONECT 2128 2125 CONECT 2129 2117 CONECT 2130 2054 CONECT 2131 2053 CONECT 2132 2050 2133 2140 2144 CONECT 2133 2132 2134 2138 2139 CONECT 2134 2133 2135 2136 2137 CONECT 2135 2134 CONECT 2136 2134 CONECT 2137 2134 CONECT 2138 2133 CONECT 2139 2133 CONECT 2140 2132 2141 2142 2143 CONECT 2141 2140 CONECT 2142 2140 CONECT 2143 2140 CONECT 2144 2132 CONECT 2145 2050 CONECT 2146 2049 CONECT 2147 2046 2148 2155 2159 CONECT 2148 2147 2149 2153 2154 CONECT 2149 2148 2150 2151 2152 CONECT 2150 2149 CONECT 2151 2149 CONECT 2152 2149 CONECT 2153 2148 CONECT 2154 2148 CONECT 2155 2147 2156 2157 2158 CONECT 2156 2155 CONECT 2157 2155 CONECT 2158 2155 CONECT 2159 2147 CONECT 2160 2046 CONECT 2161 2045 CONECT 2162 2042 2163 2175 2176 CONECT 2163 2162 2164 2168 CONECT 2164 2163 2165 2174 CONECT 2165 2164 2166 2173 CONECT 2166 2165 2167 2171 CONECT 2167 2166 2168 2170 CONECT 2168 2163 2167 2169 CONECT 2169 2168 CONECT 2170 2167 CONECT 2171 2166 2172 CONECT 2172 2171 CONECT 2173 2165 CONECT 2174 2164 CONECT 2175 2162 CONECT 2176 2162 CONECT 2177 2042 CONECT 2178 2041 CONECT 2179 2038 2180 2183 2184 CONECT 2180 2179 2181 2182 CONECT 2181 2180 CONECT 2182 2180 CONECT 2183 2179 CONECT 2184 2179 CONECT 2185 2038 CONECT 2186 2037 CONECT 2187 2034 2188 2194 2195 CONECT 2188 2187 2189 2192 2193 CONECT 2189 2188 2190 2191 CONECT 2190 2189 CONECT 2191 2189 CONECT 2192 2188 CONECT 2193 2188 CONECT 2194 2187 CONECT 2195 2187 CONECT 2196 2034 CONECT 2197 2033 CONECT 2198 2030 2199 2201 2202 CONECT 2199 2198 2200 CONECT 2200 2199 CONECT 2201 2198 CONECT 2202 2198 CONECT 2203 2030 CONECT 2204 2029 CONECT 2205 2026 2206 2208 2209 CONECT 2206 2205 2207 CONECT 2207 2206 CONECT 2208 2205 CONECT 2209 2205 CONECT 2210 2026 CONECT 2211 2025 CONECT 2212 2022 2213 2214 2215 CONECT 2213 2212 CONECT 2214 2212 CONECT 2215 2212 CONECT 2216 2022 CONECT 2217 2021 CONECT 2218 2018 2219 2221 2222 CONECT 2219 2218 2220 CONECT 2220 2219 CONECT 2221 2218 CONECT 2222 2218 CONECT 2223 2018 CONECT 2224 2017 CONECT 2225 2014 CONECT 2226 2014 CONECT 2227 2013 CONECT 2228 2010 2229 2237 2238 CONECT 2229 2228 2230 2235 2236 CONECT 2230 2229 2231 CONECT 2231 2230 2232 2233 2234 CONECT 2232 2231 CONECT 2233 2231 CONECT 2234 2231 CONECT 2235 2229 CONECT 2236 2229 CONECT 2237 2228 CONECT 2238 2228 CONECT 2239 2010 CONECT 2240 2009 CONECT 2241 2006 2242 2243 2244 CONECT 2242 2241 CONECT 2243 2241 CONECT 2244 2241 CONECT 2245 2006 CONECT 2246 2005 CONECT 2247 2002 CONECT 2248 2002 CONECT 2249 2001 CONECT 2250 2001 CONECT 2251 2001 MASTER 0 0 0 0 0 0 0 0 2250 1 255 10 END
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18-mer
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RCSB PDB
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18-mer
2df6
RCSB PDB
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18-mer
2emt
RCSB PDB
PDBbind
18-mer
2h2d
RCSB PDB
PDBbind
18-mer
2kbr
RCSB PDB
PDBbind
18-mer
2knh
RCSB PDB
PDBbind
18-mer
2kzu
RCSB PDB
PDBbind
18-mer
2lp8
RCSB PDB
PDBbind
18-mer
2rvn
RCSB PDB
PDBbind
18-mer
2vpg
RCSB PDB
PDBbind
18-mer
2xs8
RCSB PDB
PDBbind
18-mer
2y9q
RCSB PDB
PDBbind
18-mer
3c3q
RCSB PDB
PDBbind
18-mer
3cfv
RCSB PDB
PDBbind
18-mer
3isw
RCSB PDB
PDBbind
18-mer
3iux
RCSB PDB
PDBbind
18-mer
3kl8
RCSB PDB
PDBbind
18-mer
3l6x
RCSB PDB
PDBbind
18-mer
3pdh
RCSB PDB
PDBbind
18-mer
3rtx
RCSB PDB
PDBbind
18-mer
3uat
RCSB PDB
PDBbind
18-mer
3v31
RCSB PDB
PDBbind
18-mer
3v43
RCSB PDB
PDBbind
18-mer
4aom
RCSB PDB
PDBbind
18-mer
4ejf
RCSB PDB
PDBbind
18-mer
4glr
RCSB PDB
PDBbind
18-mer
4jk5
RCSB PDB
PDBbind
18-mer
4jk6
RCSB PDB
PDBbind
18-mer
4mzl
RCSB PDB
PDBbind
18-mer
4pn1
RCSB PDB
PDBbind
18-mer
4pz8
RCSB PDB
PDBbind
18-mer
4ris
RCSB PDB
PDBbind
18-mer
4rqi
RCSB PDB
PDBbind
18-mer
4wrq
RCSB PDB
PDBbind
18-mer
4xh2
RCSB PDB
PDBbind
18-mer
5b4w
RCSB PDB
PDBbind
18-mer
5e2v
RCSB PDB
PDBbind
18-mer
5e2w
RCSB PDB
PDBbind
18-mer
5jek
RCSB PDB
PDBbind
18-mer
5mk1
RCSB PDB
PDBbind
18-mer
5mk3
RCSB PDB
PDBbind
18-mer
5ods
RCSB PDB
PDBbind
18-mer
5sve
RCSB PDB
PDBbind
18-mer
5t90
RCSB PDB
PDBbind
18-mer
5uwi
RCSB PDB
PDBbind
18-mer
5v3r
RCSB PDB
PDBbind
18-mer
5wa1
RCSB PDB
PDBbind
18-mer
5xyf
RCSB PDB
PDBbind
18-mer
5yc2
RCSB PDB
PDBbind
18-mer
5yv5
RCSB PDB
PDBbind
18-mer
6bhd
RCSB PDB
PDBbind
18-mer
6bhe
RCSB PDB
PDBbind
18-mer
6bhh
RCSB PDB
PDBbind
18-mer
6h41
RCSB PDB
PDBbind
18-mer
6jjz
RCSB PDB
PDBbind
18-mer
6iqg
RCSB PDB
PDBbind
18-mer
6esa
RCSB PDB
PDBbind
18-mer
6erw
RCSB PDB
PDBbind
18-mer
6erv
RCSB PDB
PDBbind
18-mer
6eru
RCSB PDB
PDBbind
18-mer
6em7
RCSB PDB
PDBbind
18-mer
6em6
RCSB PDB
PDBbind
18-mer
6eh2
RCSB PDB
PDBbind
18-mer
6egw
RCSB PDB
PDBbind
18-mer
5y53
RCSB PDB
PDBbind
18-mer
5szc
RCSB PDB
PDBbind
18-mer
5szb
RCSB PDB
PDBbind
18-mer
5ous
RCSB PDB
PDBbind
18-mer
5oua
RCSB PDB
PDBbind
18-mer
5ol3
RCSB PDB
PDBbind
18-mer
5ok3
RCSB PDB
PDBbind
18-mer
5o0e
RCSB PDB
PDBbind
18-mer
5nw8
RCSB PDB
PDBbind
18-mer
6ema
RCSB PDB
PDBbind
18-mer
6sen
RCSB PDB
PDBbind
18-mer
6seo
RCSB PDB
PDBbind
18-mer
Entry Information
PDB ID
2l8j
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Gamma-aminobutyric acid receptor-associated protein-like 1
Ligand Name
18-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=3uM
Release Year
2011
Protein/NA Sequence
Check fasta file
Primary Reference
(2011) J.Mol.Biol. Vol. 410: pp. 477-487
Ligand Properties
Formula
C
7
9
H
1
2
7
N
1
8
O
3
0
S
Molecular Weight
1841.020
Exact Mass
1839.870
No. of atoms
255
No. of bonds
256
Polar Surface Area
789.2
LOGP Value
-1.53 (
Computed with XLOGP3
)
-3.02 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 22
No. of Hydrogen Bond Acceptors: 30
No. of Rotatable Bonds: 77
No. of Nitrogen and Oxygen Atoms: 48
No. of Rings: 2
Canonical SMILES
CSCC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[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)O)CO)CCC(=O)O)CC(C)C)[C@H](CC)C)[C@H](CC)C)[C@H](CC)C)Cc1ccc(cc1)O)CC(=O)O)CCC(=O)O)CO)CO)C)CO)NC(=O)[C@@H](NC(=O)C[NH3+])C
InChI String
InChI=1S/C79H126N18O30S/c1-12-38(6)61(75(122)90-50(28-37(4)5)78(125)97-26-15-16-55(97)74(121)87-46(22-24-59(107)108)68(115)93-54(36-101)79(126)127)95-77(124)63(40(8)14-3)96-76(123)62(39(7)13-2)94-70(117)48(29-43-17-19-44(102)20-18-43)88-69(116)49(30-60(109)110)89-67(114)45(21-23-58(105)106)86-72(119)53(35-100)92-73(120)52(34-99)91-65(112)42(10)83-71(118)51(33-98)84-57(104)32-81-66(113)47(25-27-128-11)85-64(111)41(9)82-56(103)31-80/h17-20,37-42,45-55,61-63,98-102H,12-16,21-36,80H2,1-11H3,(H,81,113)(H,82,103)(H,83,118)(H,84,104)(H,85,111)(H,86,119)(H,87,121)(H,88,116)(H,89,114)(H,90,122)(H,91,112)(H,92,120)(H,93,115)(H,94,117)(H,95,124)(H,96,123)(H,105,106)(H,107,108)(H,109,110)(H,126,127)/p+1/t38-,39-,40-,41-,42-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,61-,62-,63-/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):
Q9H0R8
Q14596
Entrez Gene ID
NCBI Entrez Gene ID:
23710
4077
ASD
Information of known allosteric effects of PDB entries
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