Browse entries in the PDBbind-CN Database
HEADER 4IJL_COMPLEX COMPND 4IJL_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 122 SER HIS MET VAL GLY GLN LEU SER ARG GLY ALA ILE ALA SEQRES 2 A 122 ALA ILE MET GLN LYS GLY ASP THR ASN ILE LYS PRO ILE SEQRES 3 A 122 LEU GLN VAL ILE ASN ILE ARG PRO ILE THR THR GLY ASN SEQRES 4 A 122 SER PRO PRO ARG TYR ARG LEU LEU MET SER ASP GLY LEU SEQRES 5 A 122 ASN THR LEU SER SER PHE MET LEU ALA THR GLN LEU ASN SEQRES 6 A 122 PRO LEU VAL GLU GLU GLU GLN LEU SER SER ASN CYS VAL SEQRES 7 A 122 CYS GLN ILE HIS ARG PHE ILE VAL ASN THR LEU LYS ASP SEQRES 8 A 122 GLY ARG ARG VAL VAL ILE LEU MET GLU LEU GLU VAL LEU SEQRES 9 A 122 LYS SER ALA GLU ALA VAL GLY VAL LYS ILE GLY ASN PRO SEQRES 10 A 122 VAL PRO TYR ASN GLU HET UNN A 181 37 ATOM 1 N SER A -1 10.268 22.867 11.657 1.00 47.86 N ATOM 2 CA SER A -1 11.354 22.311 12.470 1.00 47.56 C ATOM 3 C SER A -1 10.823 21.119 13.244 1.00 46.92 C ATOM 4 O SER A -1 9.601 20.896 13.255 1.00 44.97 O ATOM 5 CB SER A -1 11.926 23.351 13.445 1.00 44.92 C ATOM 6 OG SER A -1 12.299 24.544 12.776 1.00 45.57 O ATOM 7 HA SER A -1 12.163 22.006 11.805 1.00 0.00 H ATOM 8 HB2 SER A -1 12.804 22.931 13.936 1.00 0.00 H ATOM 9 HB3 SER A -1 11.170 23.587 14.194 1.00 0.00 H ATOM 10 HG SER A -1 12.662 25.190 13.433 1.00 0.00 H ATOM 11 HN3 SER A -1 9.490 23.167 12.279 1.00 0.00 H ATOM 12 HN2 SER A -1 9.925 22.141 10.996 1.00 0.00 H ATOM 13 HN1 SER A -1 10.621 23.686 11.122 1.00 0.00 H ATOM 14 N HIS A 0 11.730 20.375 13.889 1.00 39.46 N ATOM 15 CA HIS A 0 11.350 19.171 14.629 1.00 30.89 C ATOM 16 C HIS A 0 10.524 18.288 13.700 1.00 36.27 C ATOM 17 O HIS A 0 9.370 18.009 13.991 1.00 35.77 O ATOM 18 CB HIS A 0 10.497 19.574 15.848 1.00 24.51 C ATOM 19 CG HIS A 0 10.210 18.448 16.785 1.00 24.31 C ATOM 20 ND1 HIS A 0 8.954 18.206 17.313 1.00 24.06 N ATOM 21 CD2 HIS A 0 11.020 17.487 17.286 1.00 24.44 C ATOM 22 CE1 HIS A 0 9.015 17.154 18.109 1.00 24.04 C ATOM 23 NE2 HIS A 0 10.255 16.698 18.109 1.00 24.28 N ATOM 24 HA HIS A 0 12.235 18.636 14.972 1.00 0.00 H ATOM 25 HB2 HIS A 0 11.029 20.351 16.397 1.00 0.00 H ATOM 26 HB3 HIS A 0 9.548 19.971 15.487 1.00 0.00 H ATOM 27 HD2 HIS A 0 12.082 17.362 17.075 1.00 0.00 H ATOM 28 HE1 HIS A 0 8.182 16.733 18.672 1.00 0.00 H ATOM 29 H HIS A 0 12.730 20.660 13.864 1.00 0.00 H ATOM 30 N MET A 1 11.075 17.887 12.555 1.00 27.44 N ATOM 31 CA MET A 1 10.243 17.198 11.555 1.00 23.43 C ATOM 32 C MET A 1 9.634 15.925 12.100 1.00 21.65 C ATOM 33 O MET A 1 8.541 15.539 11.705 1.00 19.06 O ATOM 34 CB MET A 1 11.033 16.865 10.284 1.00 19.97 C ATOM 35 CG MET A 1 11.391 18.102 9.518 1.00 26.35 C ATOM 36 SD MET A 1 12.154 17.733 7.936 1.00 28.00 S ATOM 37 CE MET A 1 13.621 16.861 8.429 1.00 22.11 C ATOM 38 HA MET A 1 9.443 17.895 11.306 1.00 0.00 H ATOM 39 HB2 MET A 1 11.949 16.343 10.563 1.00 0.00 H ATOM 40 HB3 MET A 1 10.427 16.218 9.649 1.00 0.00 H ATOM 41 HG2 MET A 1 12.087 18.693 10.113 1.00 0.00 H ATOM 42 HG3 MET A 1 10.484 18.680 9.343 1.00 0.00 H ATOM 43 HE1 MET A 1 14.232 17.508 9.058 1.00 0.00 H ATOM 44 HE2 MET A 1 13.341 15.968 8.988 1.00 0.00 H ATOM 45 HE3 MET A 1 14.187 16.574 7.543 1.00 0.00 H ATOM 46 H MET A 1 12.084 18.059 12.369 1.00 0.00 H ATOM 47 N VAL A 2 10.335 15.273 13.018 1.00 18.47 N ATOM 48 CA VAL A 2 9.822 14.011 13.530 1.00 19.40 C ATOM 49 C VAL A 2 8.488 14.200 14.271 1.00 19.82 C ATOM 50 O VAL A 2 7.711 13.249 14.401 1.00 15.36 O ATOM 51 CB VAL A 2 10.869 13.236 14.384 1.00 19.60 C ATOM 52 CG1 VAL A 2 10.905 13.753 15.835 1.00 16.37 C ATOM 53 CG2 VAL A 2 10.535 11.752 14.331 1.00 18.63 C ATOM 54 HA VAL A 2 9.621 13.382 12.663 1.00 0.00 H ATOM 55 HB VAL A 2 11.865 13.399 13.973 1.00 0.00 H ATOM 56 HG11 VAL A 2 11.171 14.810 15.836 1.00 0.00 H ATOM 57 HG12 VAL A 2 9.923 13.624 16.290 1.00 0.00 H ATOM 58 HG13 VAL A 2 11.646 13.190 16.402 1.00 0.00 H ATOM 59 HG21 VAL A 2 9.535 11.591 14.733 1.00 0.00 H ATOM 60 HG22 VAL A 2 10.572 11.409 13.297 1.00 0.00 H ATOM 61 HG23 VAL A 2 11.260 11.196 14.925 1.00 0.00 H ATOM 62 H VAL A 2 11.236 15.657 13.366 1.00 0.00 H ATOM 63 N GLY A 3 8.222 15.436 14.739 1.00 13.45 N ATOM 64 CA GLY A 3 6.967 15.698 15.461 1.00 13.53 C ATOM 65 C GLY A 3 5.752 15.748 14.529 1.00 13.07 C ATOM 66 O GLY A 3 4.591 15.819 14.981 1.00 18.30 O ATOM 67 HA3 GLY A 3 7.053 16.655 15.975 1.00 0.00 H ATOM 68 HA2 GLY A 3 6.813 14.906 16.194 1.00 0.00 H ATOM 69 H GLY A 3 8.905 16.206 14.589 1.00 0.00 H ATOM 70 N GLN A 4 6.017 15.625 13.229 1.00 18.96 N ATOM 71 CA GLN A 4 4.949 15.525 12.244 1.00 19.57 C ATOM 72 C GLN A 4 4.426 14.095 12.149 1.00 16.45 C ATOM 73 O GLN A 4 3.384 13.867 11.550 1.00 13.56 O ATOM 74 CB GLN A 4 5.486 15.928 10.871 1.00 19.44 C ATOM 75 CG GLN A 4 5.839 17.389 10.791 1.00 20.45 C ATOM 76 CD GLN A 4 4.623 18.296 10.922 1.00 24.02 C ATOM 77 OE1 GLN A 4 3.841 18.464 9.952 1.00 25.73 O ATOM 78 NE2 GLN A 4 4.469 18.924 12.098 1.00 28.02 N ATOM 79 HA GLN A 4 4.139 16.185 12.554 1.00 0.00 H ATOM 80 HB2 GLN A 4 6.380 15.341 10.660 1.00 0.00 H ATOM 81 HB3 GLN A 4 4.725 15.711 10.121 1.00 0.00 H ATOM 82 HG2 GLN A 4 6.537 17.624 11.594 1.00 0.00 H ATOM 83 HG3 GLN A 4 6.315 17.581 9.830 1.00 0.00 H ATOM 84 HE22 GLN A 4 5.143 18.752 12.871 1.00 0.00 H ATOM 85 HE21 GLN A 4 3.676 19.583 12.236 1.00 0.00 H ATOM 86 H GLN A 4 7.007 15.600 12.911 1.00 0.00 H ATOM 87 N LEU A 5 5.139 13.126 12.717 1.00 13.69 N ATOM 88 CA LEU A 5 4.756 11.728 12.507 1.00 12.27 C ATOM 89 C LEU A 5 4.232 11.097 13.799 1.00 13.36 C ATOM 90 O LEU A 5 4.644 11.497 14.880 1.00 12.19 O ATOM 91 CB LEU A 5 5.958 10.914 12.009 1.00 11.55 C ATOM 92 CG LEU A 5 6.525 11.372 10.670 1.00 12.52 C ATOM 93 CD1 LEU A 5 7.646 10.401 10.215 1.00 11.31 C ATOM 94 CD2 LEU A 5 5.465 11.447 9.481 1.00 11.07 C ATOM 95 HA LEU A 5 3.964 11.715 11.759 1.00 0.00 H ATOM 96 HB2 LEU A 5 6.749 10.985 12.755 1.00 0.00 H ATOM 97 HB3 LEU A 5 5.647 9.874 11.909 1.00 0.00 H ATOM 98 HG LEU A 5 6.886 12.384 10.855 1.00 0.00 H ATOM 99 HD21 LEU A 5 5.034 10.459 9.317 1.00 0.00 H ATOM 100 HD22 LEU A 5 4.675 12.151 9.744 1.00 0.00 H ATOM 101 HD23 LEU A 5 5.964 11.782 8.572 1.00 0.00 H ATOM 102 HD11 LEU A 5 8.442 10.392 10.960 1.00 0.00 H ATOM 103 HD12 LEU A 5 7.234 9.397 10.109 1.00 0.00 H ATOM 104 HD13 LEU A 5 8.047 10.734 9.258 1.00 0.00 H ATOM 105 H LEU A 5 5.963 13.360 13.307 1.00 0.00 H ATOM 106 N SER A 6 3.369 10.095 13.687 1.00 11.50 N ATOM 107 CA SER A 6 2.776 9.440 14.872 1.00 11.77 C ATOM 108 C SER A 6 3.752 8.456 15.519 1.00 13.34 C ATOM 109 O SER A 6 3.554 7.242 15.478 1.00 12.59 O ATOM 110 CB SER A 6 1.514 8.682 14.454 1.00 12.57 C ATOM 111 OG SER A 6 0.481 9.651 14.220 1.00 12.68 O ATOM 112 HA SER A 6 2.537 10.216 15.599 1.00 0.00 H ATOM 113 HB2 SER A 6 1.210 7.999 15.248 1.00 0.00 H ATOM 114 HB3 SER A 6 1.705 8.115 13.543 1.00 0.00 H ATOM 115 HG SER A 6 -0.350 9.187 13.947 1.00 0.00 H ATOM 116 H SER A 6 3.102 9.761 12.739 1.00 0.00 H ATOM 117 N ARG A 7 4.787 8.975 16.155 1.00 13.57 N ATOM 118 CA ARG A 7 5.770 8.109 16.817 1.00 13.08 C ATOM 119 C ARG A 7 5.150 7.111 17.775 1.00 13.69 C ATOM 120 O ARG A 7 4.363 7.480 18.662 1.00 16.40 O ATOM 121 CB ARG A 7 6.780 8.978 17.586 1.00 13.58 C ATOM 122 CG ARG A 7 7.706 9.771 16.660 1.00 15.11 C ATOM 123 CD ARG A 7 8.621 10.682 17.462 1.00 16.76 C ATOM 124 NE ARG A 7 7.916 11.879 17.910 1.00 18.96 N ATOM 125 CZ ARG A 7 8.478 12.805 18.669 1.00 25.21 C ATOM 126 NH1 ARG A 7 9.733 12.634 19.107 1.00 22.85 N ATOM 127 NH2 ARG A 7 7.790 13.892 19.019 1.00 26.23 N ATOM 128 HA ARG A 7 6.258 7.535 16.030 1.00 0.00 H ATOM 129 HB2 ARG A 7 6.230 9.680 18.213 1.00 0.00 H ATOM 130 HB3 ARG A 7 7.389 8.330 18.216 1.00 0.00 H ATOM 131 HG2 ARG A 7 8.313 9.076 16.080 1.00 0.00 H ATOM 132 HG3 ARG A 7 7.102 10.376 15.984 1.00 0.00 H ATOM 133 HD2 ARG A 7 9.464 10.979 16.838 1.00 0.00 H ATOM 134 HD3 ARG A 7 8.989 10.139 18.333 1.00 0.00 H ATOM 135 HE ARG A 7 6.926 12.010 17.619 1.00 0.00 H ATOM 136 HH12 ARG A 7 10.179 13.360 19.704 1.00 0.00 H ATOM 137 HH11 ARG A 7 10.261 11.776 18.850 1.00 0.00 H ATOM 138 HH22 ARG A 7 8.234 14.619 19.616 1.00 0.00 H ATOM 139 HH21 ARG A 7 6.809 14.013 18.695 1.00 0.00 H ATOM 140 H ARG A 7 4.907 10.008 16.187 1.00 0.00 H ATOM 141 N GLY A 8 5.488 5.845 17.563 1.00 15.65 N ATOM 142 CA GLY A 8 4.924 4.770 18.366 1.00 15.94 C ATOM 143 C GLY A 8 3.752 4.049 17.738 1.00 16.39 C ATOM 144 O GLY A 8 3.341 2.996 18.262 1.00 17.35 O ATOM 145 HA3 GLY A 8 4.592 5.194 19.314 1.00 0.00 H ATOM 146 HA2 GLY A 8 5.710 4.039 18.552 1.00 0.00 H ATOM 147 H GLY A 8 6.168 5.617 16.810 1.00 0.00 H ATOM 148 N ALA A 9 3.161 4.607 16.685 1.00 14.83 N ATOM 149 CA ALA A 9 2.038 3.934 16.028 1.00 14.88 C ATOM 150 C ALA A 9 2.381 2.562 15.473 1.00 14.67 C ATOM 151 O ALA A 9 1.550 1.652 15.527 1.00 16.67 O ATOM 152 CB ALA A 9 1.447 4.778 14.913 1.00 13.20 C ATOM 153 HA ALA A 9 1.303 3.797 16.821 1.00 0.00 H ATOM 154 HB1 ALA A 9 1.087 5.721 15.325 1.00 0.00 H ATOM 155 HB2 ALA A 9 2.213 4.976 14.164 1.00 0.00 H ATOM 156 HB3 ALA A 9 0.617 4.241 14.453 1.00 0.00 H ATOM 157 H ALA A 9 3.497 5.524 16.327 1.00 0.00 H ATOM 158 N ILE A 10 3.607 2.370 15.004 1.00 16.60 N ATOM 159 CA ILE A 10 3.911 1.071 14.392 1.00 18.06 C ATOM 160 C ILE A 10 3.905 0.006 15.483 1.00 19.36 C ATOM 161 O ILE A 10 3.281 -1.059 15.333 1.00 18.81 O ATOM 162 CB ILE A 10 5.225 1.087 13.588 1.00 16.11 C ATOM 163 CG1 ILE A 10 5.040 1.797 12.249 1.00 17.25 C ATOM 164 CG2 ILE A 10 5.800 -0.347 13.420 1.00 17.18 C ATOM 165 CD1 ILE A 10 6.338 2.012 11.527 1.00 15.80 C ATOM 166 HA ILE A 10 3.140 0.835 13.659 1.00 0.00 H ATOM 167 HB ILE A 10 5.962 1.658 14.153 1.00 0.00 H ATOM 168 HG12 ILE A 10 4.386 1.193 11.620 1.00 0.00 H ATOM 169 HG13 ILE A 10 4.575 2.766 12.429 1.00 0.00 H ATOM 170 HD11 ILE A 10 6.998 2.623 12.143 1.00 0.00 H ATOM 171 HD12 ILE A 10 6.809 1.048 11.334 1.00 0.00 H ATOM 172 HD13 ILE A 10 6.147 2.520 10.582 1.00 0.00 H ATOM 173 HG21 ILE A 10 5.999 -0.775 14.403 1.00 0.00 H ATOM 174 HG22 ILE A 10 5.076 -0.968 12.892 1.00 0.00 H ATOM 175 HG23 ILE A 10 6.727 -0.301 12.848 1.00 0.00 H ATOM 176 H ILE A 10 4.329 3.116 15.068 1.00 0.00 H ATOM 177 N ALA A 11 4.546 0.292 16.611 1.00 16.26 N ATOM 178 CA ALA A 11 4.505 -0.684 17.695 1.00 20.26 C ATOM 179 C ALA A 11 3.071 -0.931 18.184 1.00 21.31 C ATOM 180 O ALA A 11 2.727 -2.040 18.576 1.00 22.90 O ATOM 181 CB ALA A 11 5.349 -0.196 18.847 1.00 20.32 C ATOM 182 HA ALA A 11 4.898 -1.625 17.311 1.00 0.00 H ATOM 183 HB1 ALA A 11 6.379 -0.068 18.513 1.00 0.00 H ATOM 184 HB2 ALA A 11 4.960 0.758 19.203 1.00 0.00 H ATOM 185 HB3 ALA A 11 5.316 -0.927 19.655 1.00 0.00 H ATOM 186 H ALA A 11 5.063 1.188 16.719 1.00 0.00 H ATOM 187 N ALA A 12 2.232 0.092 18.152 1.00 20.46 N ATOM 188 CA ALA A 12 0.855 -0.039 18.655 1.00 21.89 C ATOM 189 C ALA A 12 0.031 -0.920 17.715 1.00 22.95 C ATOM 190 O ALA A 12 -0.781 -1.732 18.157 1.00 24.87 O ATOM 191 CB ALA A 12 0.224 1.325 18.776 1.00 22.38 C ATOM 192 HA ALA A 12 0.879 -0.508 19.639 1.00 0.00 H ATOM 193 HB1 ALA A 12 0.805 1.933 19.469 1.00 0.00 H ATOM 194 HB2 ALA A 12 0.207 1.804 17.797 1.00 0.00 H ATOM 195 HB3 ALA A 12 -0.795 1.221 19.149 1.00 0.00 H ATOM 196 H ALA A 12 2.551 1.003 17.765 1.00 0.00 H ATOM 197 N ILE A 13 0.223 -0.730 16.417 1.00 24.22 N ATOM 198 CA ILE A 13 -0.503 -1.491 15.413 1.00 24.76 C ATOM 199 C ILE A 13 -0.040 -2.924 15.510 1.00 25.00 C ATOM 200 O ILE A 13 -0.849 -3.845 15.429 1.00 27.44 O ATOM 201 CB ILE A 13 -0.228 -1.010 13.995 1.00 22.70 C ATOM 202 CG1 ILE A 13 -0.796 0.397 13.761 1.00 21.46 C ATOM 203 CG2 ILE A 13 -0.876 -1.944 12.964 1.00 22.47 C ATOM 204 CD1 ILE A 13 -0.162 1.078 12.604 1.00 19.35 C ATOM 205 HA ILE A 13 -1.570 -1.372 15.604 1.00 0.00 H ATOM 206 HB ILE A 13 0.855 -1.001 13.876 1.00 0.00 H ATOM 207 HG12 ILE A 13 -1.867 0.316 13.576 1.00 0.00 H ATOM 208 HG13 ILE A 13 -0.627 0.996 14.656 1.00 0.00 H ATOM 209 HD11 ILE A 13 0.909 1.172 12.782 1.00 0.00 H ATOM 210 HD12 ILE A 13 -0.332 0.491 11.701 1.00 0.00 H ATOM 211 HD13 ILE A 13 -0.600 2.069 12.483 1.00 0.00 H ATOM 212 HG21 ILE A 13 -0.469 -2.948 13.079 1.00 0.00 H ATOM 213 HG22 ILE A 13 -1.954 -1.967 13.124 1.00 0.00 H ATOM 214 HG23 ILE A 13 -0.664 -1.577 11.960 1.00 0.00 H ATOM 215 H ILE A 13 0.913 -0.016 16.108 1.00 0.00 H ATOM 216 N MET A 14 1.257 -3.133 15.673 1.00 24.42 N ATOM 217 CA MET A 14 1.760 -4.515 15.607 1.00 27.00 C ATOM 218 C MET A 14 1.553 -5.285 16.889 1.00 26.64 C ATOM 219 O MET A 14 1.523 -6.528 16.858 1.00 29.43 O ATOM 220 CB MET A 14 3.228 -4.565 15.203 1.00 26.08 C ATOM 221 CG MET A 14 3.461 -4.078 13.775 1.00 24.32 C ATOM 222 SD MET A 14 2.833 -5.203 12.463 1.00 33.09 S ATOM 223 CE MET A 14 4.319 -6.203 12.249 1.00 23.92 C ATOM 224 HA MET A 14 1.164 -5.001 14.835 1.00 0.00 H ATOM 225 HB2 MET A 14 3.800 -3.935 15.885 1.00 0.00 H ATOM 226 HB3 MET A 14 3.577 -5.594 15.282 1.00 0.00 H ATOM 227 HG2 MET A 14 4.534 -3.954 13.630 1.00 0.00 H ATOM 228 HG3 MET A 14 2.966 -3.114 13.660 1.00 0.00 H ATOM 229 HE1 MET A 14 5.146 -5.562 11.944 1.00 0.00 H ATOM 230 HE2 MET A 14 4.565 -6.692 13.191 1.00 0.00 H ATOM 231 HE3 MET A 14 4.141 -6.957 11.482 1.00 0.00 H ATOM 232 H MET A 14 1.906 -2.339 15.844 1.00 0.00 H ATOM 233 N GLN A 15 1.416 -4.584 18.011 1.00 36.21 N ATOM 234 CA GLN A 15 1.288 -5.280 19.287 1.00 39.85 C ATOM 235 C GLN A 15 -0.105 -5.227 19.887 1.00 40.29 C ATOM 236 O GLN A 15 -0.637 -6.252 20.315 1.00 44.09 O ATOM 237 CB GLN A 15 2.293 -4.742 20.297 1.00 40.11 C ATOM 238 CG GLN A 15 3.712 -4.725 19.784 1.00 40.69 C ATOM 239 CD GLN A 15 4.651 -3.982 20.720 1.00 44.84 C ATOM 240 OE1 GLN A 15 4.251 -3.600 21.823 1.00 46.32 O ATOM 241 NE2 GLN A 15 5.908 -3.774 20.292 1.00 41.64 N ATOM 242 HA GLN A 15 1.494 -6.327 19.064 1.00 0.00 H ATOM 243 HB2 GLN A 15 2.008 -3.723 20.558 1.00 0.00 H ATOM 244 HB3 GLN A 15 2.256 -5.368 21.188 1.00 0.00 H ATOM 245 HG2 GLN A 15 4.060 -5.753 19.679 1.00 0.00 H ATOM 246 HG3 GLN A 15 3.728 -4.237 18.810 1.00 0.00 H ATOM 247 HE22 GLN A 15 6.201 -4.114 19.354 1.00 0.00 H ATOM 248 HE21 GLN A 15 6.588 -3.273 20.899 1.00 0.00 H ATOM 249 H GLN A 15 1.400 -3.545 17.979 1.00 0.00 H ATOM 250 N LYS A 16 -0.686 -4.038 19.963 1.00 40.78 N ATOM 251 CA LYS A 16 -2.011 -3.899 20.563 1.00 44.03 C ATOM 252 C LYS A 16 -3.078 -4.198 19.530 1.00 42.39 C ATOM 253 O LYS A 16 -4.185 -4.617 19.864 1.00 47.84 O ATOM 254 CB LYS A 16 -2.200 -2.497 21.128 1.00 42.58 C ATOM 255 CG LYS A 16 -1.291 -2.203 22.304 1.00 46.92 C ATOM 256 CD LYS A 16 -1.572 -0.830 22.897 1.00 50.46 C ATOM 257 CE LYS A 16 -0.842 -0.656 24.230 1.00 47.48 C ATOM 258 NZ LYS A 16 0.623 -0.431 24.045 1.00 49.43 N ATOM 259 HA LYS A 16 -2.100 -4.612 21.383 1.00 0.00 H ATOM 260 HB2 LYS A 16 -1.992 -1.774 20.339 1.00 0.00 H ATOM 261 HB3 LYS A 16 -3.235 -2.390 21.454 1.00 0.00 H ATOM 262 HG2 LYS A 16 -1.449 -2.960 23.072 1.00 0.00 H ATOM 263 HG3 LYS A 16 -0.255 -2.239 21.968 1.00 0.00 H ATOM 264 HD2 LYS A 16 -1.233 -0.063 22.201 1.00 0.00 H ATOM 265 HD3 LYS A 16 -2.644 -0.723 23.060 1.00 0.00 H ATOM 266 HE2 LYS A 16 -0.987 -1.555 24.830 1.00 0.00 H ATOM 267 HE3 LYS A 16 -1.266 0.201 24.754 1.00 0.00 H ATOM 268 HZ1 LYS A 16 1.038 -1.247 23.552 1.00 0.00 H ATOM 269 HZ2 LYS A 16 0.772 0.429 23.480 1.00 0.00 H ATOM 270 HZ3 LYS A 16 1.075 -0.319 24.975 1.00 0.00 H ATOM 271 H LYS A 16 -0.196 -3.199 19.593 1.00 0.00 H ATOM 272 N GLY A 17 -2.738 -3.981 18.267 1.00 40.49 N ATOM 273 CA GLY A 17 -3.664 -4.229 17.174 1.00 41.02 C ATOM 274 C GLY A 17 -4.871 -3.307 17.164 1.00 46.17 C ATOM 275 O GLY A 17 -5.874 -3.600 16.508 1.00 46.65 O ATOM 276 HA3 GLY A 17 -4.018 -5.257 17.251 1.00 0.00 H ATOM 277 HA2 GLY A 17 -3.127 -4.101 16.234 1.00 0.00 H ATOM 278 H GLY A 17 -1.785 -3.624 18.053 1.00 0.00 H ATOM 279 N ASP A 18 -4.772 -2.193 17.878 1.00 48.68 N ATOM 280 CA ASP A 18 -5.816 -1.181 17.849 1.00 45.81 C ATOM 281 C ASP A 18 -5.955 -0.597 16.453 1.00 46.73 C ATOM 282 O ASP A 18 -4.968 -0.141 15.879 1.00 46.67 O ATOM 283 CB ASP A 18 -5.515 -0.059 18.861 1.00 46.14 C ATOM 284 CG ASP A 18 -4.036 0.382 18.863 1.00 48.56 C ATOM 285 OD1 ASP A 18 -3.275 -0.071 17.976 1.00 47.79 O ATOM 286 OD2 ASP A 18 -3.638 1.191 19.760 1.00 52.13 O ATOM 287 HA ASP A 18 -6.756 -1.658 18.126 1.00 0.00 H ATOM 288 HB2 ASP A 18 -6.133 0.804 18.615 1.00 0.00 H ATOM 289 HB3 ASP A 18 -5.771 -0.415 19.859 1.00 0.00 H ATOM 290 H ASP A 18 -3.931 -2.040 18.470 1.00 0.00 H ATOM 291 N THR A 19 -7.163 -0.628 15.892 1.00 40.32 N ATOM 292 CA THR A 19 -7.372 -0.047 14.560 1.00 39.73 C ATOM 293 C THR A 19 -8.138 1.257 14.589 1.00 39.99 C ATOM 294 O THR A 19 -8.485 1.783 13.517 1.00 40.55 O ATOM 295 CB THR A 19 -8.086 -0.994 13.555 1.00 44.98 C ATOM 296 OG1 THR A 19 -9.289 -1.511 14.142 1.00 46.16 O ATOM 297 CG2 THR A 19 -7.170 -2.142 13.133 1.00 44.91 C ATOM 298 HA THR A 19 -6.354 0.130 14.214 1.00 0.00 H ATOM 299 HB THR A 19 -8.338 -0.419 12.664 1.00 0.00 H ATOM 300 HG1 THR A 19 -9.738 -2.113 13.496 1.00 0.00 H ATOM 301 HG23 THR A 19 -6.261 -1.736 12.689 1.00 0.00 H ATOM 302 HG21 THR A 19 -6.913 -2.740 14.007 1.00 0.00 H ATOM 303 HG22 THR A 19 -7.685 -2.766 12.403 1.00 0.00 H ATOM 304 H THR A 19 -7.959 -1.065 16.399 1.00 0.00 H ATOM 305 N ASN A 20 -8.405 1.768 15.792 1.00 38.29 N ATOM 306 CA ASN A 20 -9.138 3.022 15.941 1.00 39.66 C ATOM 307 C ASN A 20 -8.252 4.247 15.690 1.00 37.82 C ATOM 308 O ASN A 20 -8.757 5.372 15.500 1.00 38.14 O ATOM 309 CB ASN A 20 -9.778 3.126 17.324 1.00 46.39 C ATOM 310 CG ASN A 20 -10.979 2.206 17.492 1.00 48.91 C ATOM 311 OD1 ASN A 20 -12.022 2.390 16.844 1.00 51.77 O ATOM 312 ND2 ASN A 20 -10.855 1.225 18.394 1.00 50.87 N ATOM 313 HA ASN A 20 -9.921 3.012 15.183 1.00 0.00 H ATOM 314 HB2 ASN A 20 -9.031 2.864 18.074 1.00 0.00 H ATOM 315 HB3 ASN A 20 -10.103 4.155 17.481 1.00 0.00 H ATOM 316 HD22 ASN A 20 -9.962 1.107 18.915 1.00 0.00 H ATOM 317 HD21 ASN A 20 -11.651 0.581 18.574 1.00 0.00 H ATOM 318 H ASN A 20 -8.084 1.262 16.642 1.00 0.00 H ATOM 319 N ILE A 21 -6.936 4.040 15.680 1.00 25.97 N ATOM 320 CA ILE A 21 -6.013 5.153 15.517 1.00 21.92 C ATOM 321 C ILE A 21 -5.949 5.577 14.053 1.00 20.57 C ATOM 322 O ILE A 21 -6.243 4.794 13.175 1.00 18.35 O ATOM 323 CB ILE A 21 -4.594 4.810 16.000 1.00 20.58 C ATOM 324 CG1 ILE A 21 -4.124 3.480 15.412 1.00 18.44 C ATOM 325 CG2 ILE A 21 -4.560 4.704 17.534 1.00 24.16 C ATOM 326 CD1 ILE A 21 -2.596 3.303 15.476 1.00 18.54 C ATOM 327 HA ILE A 21 -6.393 5.970 16.131 1.00 0.00 H ATOM 328 HB ILE A 21 -3.932 5.609 15.667 1.00 0.00 H ATOM 329 HG12 ILE A 21 -4.592 2.668 15.969 1.00 0.00 H ATOM 330 HG13 ILE A 21 -4.437 3.431 14.369 1.00 0.00 H ATOM 331 HD11 ILE A 21 -2.115 4.104 14.914 1.00 0.00 H ATOM 332 HD12 ILE A 21 -2.270 3.341 16.516 1.00 0.00 H ATOM 333 HD13 ILE A 21 -2.325 2.340 15.044 1.00 0.00 H ATOM 334 HG21 ILE A 21 -4.863 5.656 17.970 1.00 0.00 H ATOM 335 HG22 ILE A 21 -5.245 3.920 17.858 1.00 0.00 H ATOM 336 HG23 ILE A 21 -3.548 4.461 17.858 1.00 0.00 H ATOM 337 H ILE A 21 -6.565 3.075 15.790 1.00 0.00 H ATOM 338 N LYS A 22 -5.574 6.820 13.805 1.00 17.28 N ATOM 339 CA LYS A 22 -5.483 7.326 12.420 1.00 15.77 C ATOM 340 C LYS A 22 -4.084 7.910 12.271 1.00 14.19 C ATOM 341 O LYS A 22 -3.913 9.114 12.113 1.00 14.22 O ATOM 342 CB LYS A 22 -6.579 8.379 12.135 1.00 18.31 C ATOM 343 CG LYS A 22 -7.991 7.725 12.038 1.00 19.42 C ATOM 344 CD LYS A 22 -9.120 8.730 11.913 1.00 23.19 C ATOM 345 CE LYS A 22 -10.486 8.020 11.964 1.00 33.21 C ATOM 346 NZ LYS A 22 -11.599 8.932 11.550 1.00 40.55 N ATOM 347 HA LYS A 22 -5.647 6.528 11.696 1.00 0.00 H ATOM 348 HB2 LYS A 22 -6.583 9.113 12.941 1.00 0.00 H ATOM 349 HB3 LYS A 22 -6.354 8.878 11.192 1.00 0.00 H ATOM 350 HG2 LYS A 22 -8.010 7.075 11.164 1.00 0.00 H ATOM 351 HG3 LYS A 22 -8.157 7.130 12.936 1.00 0.00 H ATOM 352 HD2 LYS A 22 -9.056 9.445 12.734 1.00 0.00 H ATOM 353 HD3 LYS A 22 -9.026 9.259 10.964 1.00 0.00 H ATOM 354 HE2 LYS A 22 -10.669 7.678 12.983 1.00 0.00 H ATOM 355 HE3 LYS A 22 -10.464 7.162 11.293 1.00 0.00 H ATOM 356 HZ1 LYS A 22 -11.631 9.751 12.190 1.00 0.00 H ATOM 357 HZ2 LYS A 22 -11.435 9.258 10.576 1.00 0.00 H ATOM 358 HZ3 LYS A 22 -12.502 8.418 11.597 1.00 0.00 H ATOM 359 H LYS A 22 -5.339 7.452 14.597 1.00 0.00 H ATOM 360 N PRO A 23 -3.078 7.039 12.309 1.00 14.82 N ATOM 361 CA PRO A 23 -1.694 7.504 12.443 1.00 14.22 C ATOM 362 C PRO A 23 -1.171 8.188 11.200 1.00 14.24 C ATOM 363 O PRO A 23 -1.582 7.856 10.084 1.00 14.56 O ATOM 364 CB PRO A 23 -0.916 6.215 12.722 1.00 12.91 C ATOM 365 CG PRO A 23 -1.756 5.145 12.063 1.00 14.92 C ATOM 366 CD PRO A 23 -3.175 5.570 12.234 1.00 15.21 C ATOM 367 HA PRO A 23 -1.598 8.258 13.224 1.00 0.00 H ATOM 368 HD3 PRO A 23 -3.782 5.261 11.383 1.00 0.00 H ATOM 369 HD2 PRO A 23 -3.599 5.158 13.150 1.00 0.00 H ATOM 370 HG3 PRO A 23 -1.589 4.182 12.545 1.00 0.00 H ATOM 371 HG2 PRO A 23 -1.509 5.068 11.004 1.00 0.00 H ATOM 372 HB2 PRO A 23 0.079 6.257 12.279 1.00 0.00 H ATOM 373 HB3 PRO A 23 -0.828 6.037 13.794 1.00 0.00 H ATOM 374 N ILE A 24 -0.275 9.160 11.426 1.00 12.10 N ATOM 375 CA ILE A 24 0.414 9.858 10.347 1.00 12.59 C ATOM 376 C ILE A 24 1.786 9.222 10.164 1.00 10.86 C ATOM 377 O ILE A 24 2.602 9.209 11.097 1.00 11.47 O ATOM 378 CB ILE A 24 0.521 11.375 10.638 1.00 12.40 C ATOM 379 CG1 ILE A 24 -0.895 11.915 10.806 1.00 12.73 C ATOM 380 CG2 ILE A 24 1.340 12.090 9.519 1.00 11.26 C ATOM 381 CD1 ILE A 24 -0.957 13.389 11.134 1.00 12.25 C ATOM 382 HA ILE A 24 -0.155 9.762 9.422 1.00 0.00 H ATOM 383 HB ILE A 24 1.069 11.569 11.560 1.00 0.00 H ATOM 384 HG12 ILE A 24 -1.438 11.748 9.876 1.00 0.00 H ATOM 385 HG13 ILE A 24 -1.379 11.364 11.612 1.00 0.00 H ATOM 386 HD11 ILE A 24 -0.429 13.574 12.069 1.00 0.00 H ATOM 387 HD12 ILE A 24 -0.488 13.959 10.331 1.00 0.00 H ATOM 388 HD13 ILE A 24 -1.999 13.693 11.237 1.00 0.00 H ATOM 389 HG21 ILE A 24 2.343 11.665 9.477 1.00 0.00 H ATOM 390 HG22 ILE A 24 0.843 11.947 8.559 1.00 0.00 H ATOM 391 HG23 ILE A 24 1.404 13.155 9.742 1.00 0.00 H ATOM 392 H ILE A 24 -0.063 9.426 12.409 1.00 0.00 H ATOM 393 N LEU A 25 2.018 8.663 8.977 1.00 12.15 N ATOM 394 CA LEU A 25 3.241 7.910 8.699 1.00 12.17 C ATOM 395 C LEU A 25 3.908 8.463 7.462 1.00 11.56 C ATOM 396 O LEU A 25 3.265 9.119 6.650 1.00 11.83 O ATOM 397 CB LEU A 25 2.883 6.442 8.428 1.00 11.60 C ATOM 398 CG LEU A 25 2.075 5.788 9.551 1.00 12.71 C ATOM 399 CD1 LEU A 25 1.633 4.387 9.060 1.00 12.24 C ATOM 400 CD2 LEU A 25 2.917 5.752 10.826 1.00 11.94 C ATOM 401 HA LEU A 25 3.909 7.990 9.557 1.00 0.00 H ATOM 402 HB2 LEU A 25 2.298 6.394 7.510 1.00 0.00 H ATOM 403 HB3 LEU A 25 3.808 5.880 8.297 1.00 0.00 H ATOM 404 HG LEU A 25 1.177 6.355 9.796 1.00 0.00 H ATOM 405 HD21 LEU A 25 3.824 5.175 10.645 1.00 0.00 H ATOM 406 HD22 LEU A 25 3.183 6.769 11.113 1.00 0.00 H ATOM 407 HD23 LEU A 25 2.342 5.286 11.626 1.00 0.00 H ATOM 408 HD11 LEU A 25 1.021 4.494 8.165 1.00 0.00 H ATOM 409 HD12 LEU A 25 2.515 3.789 8.829 1.00 0.00 H ATOM 410 HD13 LEU A 25 1.054 3.896 9.842 1.00 0.00 H ATOM 411 H LEU A 25 1.307 8.765 8.225 1.00 0.00 H ATOM 412 N GLN A 26 5.198 8.216 7.336 1.00 10.67 N ATOM 413 CA GLN A 26 5.902 8.608 6.113 1.00 10.78 C ATOM 414 C GLN A 26 6.124 7.367 5.260 1.00 10.84 C ATOM 415 O GLN A 26 6.528 6.336 5.775 1.00 10.87 O ATOM 416 CB GLN A 26 7.232 9.247 6.446 1.00 10.96 C ATOM 417 CG GLN A 26 7.944 9.756 5.169 1.00 11.20 C ATOM 418 CD GLN A 26 9.225 10.514 5.483 1.00 12.84 C ATOM 419 OE1 GLN A 26 9.993 10.169 6.383 1.00 13.30 O ATOM 420 NE2 GLN A 26 9.476 11.563 4.694 1.00 14.47 N ATOM 421 HA GLN A 26 5.302 9.336 5.567 1.00 0.00 H ATOM 422 HB2 GLN A 26 7.064 10.088 7.119 1.00 0.00 H ATOM 423 HB3 GLN A 26 7.867 8.511 6.938 1.00 0.00 H ATOM 424 HG2 GLN A 26 8.188 8.900 4.539 1.00 0.00 H ATOM 425 HG3 GLN A 26 7.267 10.420 4.631 1.00 0.00 H ATOM 426 HE22 GLN A 26 8.803 11.823 3.945 1.00 0.00 H ATOM 427 HE21 GLN A 26 10.344 12.119 4.829 1.00 0.00 H ATOM 428 H GLN A 26 5.715 7.743 8.105 1.00 0.00 H ATOM 429 N VAL A 27 5.883 7.481 3.959 1.00 11.83 N ATOM 430 CA VAL A 27 6.283 6.444 2.991 1.00 11.37 C ATOM 431 C VAL A 27 7.780 6.540 2.761 1.00 14.05 C ATOM 432 O VAL A 27 8.302 7.614 2.421 1.00 13.63 O ATOM 433 CB VAL A 27 5.536 6.629 1.657 1.00 12.42 C ATOM 434 CG1 VAL A 27 6.018 5.518 0.684 1.00 14.57 C ATOM 435 CG2 VAL A 27 4.061 6.504 1.901 1.00 13.39 C ATOM 436 HA VAL A 27 6.028 5.462 3.391 1.00 0.00 H ATOM 437 HB VAL A 27 5.737 7.610 1.227 1.00 0.00 H ATOM 438 HG11 VAL A 27 7.093 5.611 0.532 1.00 0.00 H ATOM 439 HG12 VAL A 27 5.794 4.541 1.111 1.00 0.00 H ATOM 440 HG13 VAL A 27 5.504 5.625 -0.271 1.00 0.00 H ATOM 441 HG21 VAL A 27 3.844 5.517 2.310 1.00 0.00 H ATOM 442 HG22 VAL A 27 3.745 7.270 2.609 1.00 0.00 H ATOM 443 HG23 VAL A 27 3.526 6.634 0.960 1.00 0.00 H ATOM 444 H VAL A 27 5.395 8.331 3.611 1.00 0.00 H ATOM 445 N ILE A 28 8.494 5.427 2.997 1.00 13.91 N ATOM 446 CA ILE A 28 9.919 5.407 2.707 1.00 15.19 C ATOM 447 C ILE A 28 10.193 4.797 1.335 1.00 17.22 C ATOM 448 O ILE A 28 11.011 5.314 0.582 1.00 16.33 O ATOM 449 CB ILE A 28 10.694 4.595 3.772 1.00 17.28 C ATOM 450 CG1 ILE A 28 10.492 5.206 5.150 1.00 15.23 C ATOM 451 CG2 ILE A 28 12.194 4.571 3.445 1.00 17.52 C ATOM 452 CD1 ILE A 28 10.817 6.724 5.204 1.00 15.85 C ATOM 453 HA ILE A 28 10.259 6.442 2.720 1.00 0.00 H ATOM 454 HB ILE A 28 10.310 3.575 3.767 1.00 0.00 H ATOM 455 HG12 ILE A 28 9.452 5.064 5.442 1.00 0.00 H ATOM 456 HG13 ILE A 28 11.140 4.688 5.857 1.00 0.00 H ATOM 457 HD11 ILE A 28 11.859 6.881 4.924 1.00 0.00 H ATOM 458 HD12 ILE A 28 10.168 7.258 4.510 1.00 0.00 H ATOM 459 HD13 ILE A 28 10.651 7.094 6.216 1.00 0.00 H ATOM 460 HG21 ILE A 28 12.344 4.110 2.469 1.00 0.00 H ATOM 461 HG22 ILE A 28 12.577 5.591 3.429 1.00 0.00 H ATOM 462 HG23 ILE A 28 12.721 3.995 4.206 1.00 0.00 H ATOM 463 H ILE A 28 8.029 4.582 3.386 1.00 0.00 H ATOM 464 N ASN A 29 9.499 3.712 1.023 1.00 17.06 N ATOM 465 CA ASN A 29 9.661 3.122 -0.303 1.00 19.42 C ATOM 466 C ASN A 29 8.407 2.383 -0.697 1.00 19.80 C ATOM 467 O ASN A 29 7.646 1.972 0.159 1.00 19.47 O ATOM 468 CB ASN A 29 10.847 2.153 -0.276 1.00 22.05 C ATOM 469 CG ASN A 29 11.244 1.703 -1.647 1.00 24.15 C ATOM 470 OD1 ASN A 29 11.678 2.515 -2.485 1.00 28.60 O ATOM 471 ND2 ASN A 29 11.086 0.409 -1.913 1.00 25.40 N ATOM 472 HA ASN A 29 9.846 3.911 -1.032 1.00 0.00 H ATOM 473 HB2 ASN A 29 11.697 2.652 0.189 1.00 0.00 H ATOM 474 HB3 ASN A 29 10.572 1.279 0.314 1.00 0.00 H ATOM 475 HD22 ASN A 29 10.720 -0.232 -1.180 1.00 0.00 H ATOM 476 HD21 ASN A 29 11.329 0.038 -2.854 1.00 0.00 H ATOM 477 H ASN A 29 8.848 3.286 1.713 1.00 0.00 H ATOM 478 N ILE A 30 8.199 2.197 -1.997 1.00 18.70 N ATOM 479 CA ILE A 30 7.010 1.508 -2.503 1.00 20.60 C ATOM 480 C ILE A 30 7.490 0.589 -3.596 1.00 20.47 C ATOM 481 O ILE A 30 8.264 1.004 -4.466 1.00 20.90 O ATOM 482 CB ILE A 30 6.004 2.469 -3.185 1.00 21.07 C ATOM 483 CG1 ILE A 30 5.536 3.518 -2.184 1.00 22.28 C ATOM 484 CG2 ILE A 30 4.775 1.694 -3.707 1.00 20.16 C ATOM 485 CD1 ILE A 30 4.434 4.467 -2.745 1.00 21.69 C ATOM 486 HA ILE A 30 6.518 1.016 -1.664 1.00 0.00 H ATOM 487 HB ILE A 30 6.506 2.949 -4.025 1.00 0.00 H ATOM 488 HG12 ILE A 30 5.137 3.006 -1.308 1.00 0.00 H ATOM 489 HG13 ILE A 30 6.395 4.122 -1.890 1.00 0.00 H ATOM 490 HD11 ILE A 30 4.821 4.996 -3.616 1.00 0.00 H ATOM 491 HD12 ILE A 30 3.562 3.879 -3.033 1.00 0.00 H ATOM 492 HD13 ILE A 30 4.151 5.187 -1.977 1.00 0.00 H ATOM 493 HG21 ILE A 30 5.099 0.949 -4.434 1.00 0.00 H ATOM 494 HG22 ILE A 30 4.279 1.198 -2.873 1.00 0.00 H ATOM 495 HG23 ILE A 30 4.083 2.390 -4.182 1.00 0.00 H ATOM 496 H ILE A 30 8.903 2.552 -2.676 1.00 0.00 H ATOM 497 N ARG A 31 7.055 -0.655 -3.566 1.00 21.56 N ATOM 498 CA ARG A 31 7.387 -1.511 -4.694 1.00 23.58 C ATOM 499 C ARG A 31 6.226 -2.417 -5.048 1.00 23.61 C ATOM 500 O ARG A 31 5.459 -2.844 -4.183 1.00 24.19 O ATOM 501 CB ARG A 31 8.635 -2.330 -4.385 1.00 24.00 C ATOM 502 CG ARG A 31 8.419 -3.412 -3.368 1.00 23.66 C ATOM 503 CD ARG A 31 9.240 -4.648 -3.773 1.00 30.93 C ATOM 504 NE ARG A 31 10.021 -5.139 -2.634 1.00 37.14 N ATOM 505 CZ ARG A 31 9.668 -6.155 -1.839 1.00 38.90 C ATOM 506 NH1 ARG A 31 8.539 -6.834 -2.051 1.00 41.32 N ATOM 507 NH2 ARG A 31 10.454 -6.503 -0.815 1.00 38.02 N ATOM 508 HA ARG A 31 7.591 -0.877 -5.557 1.00 0.00 H ATOM 509 HB2 ARG A 31 8.979 -2.792 -5.310 1.00 0.00 H ATOM 510 HB3 ARG A 31 9.404 -1.655 -4.010 1.00 0.00 H ATOM 511 HG2 ARG A 31 8.743 -3.063 -2.387 1.00 0.00 H ATOM 512 HG3 ARG A 31 7.361 -3.672 -3.329 1.00 0.00 H ATOM 513 HD2 ARG A 31 9.917 -4.380 -4.584 1.00 0.00 H ATOM 514 HD3 ARG A 31 8.564 -5.434 -4.111 1.00 0.00 H ATOM 515 HE ARG A 31 10.921 -4.660 -2.428 1.00 0.00 H ATOM 516 HH12 ARG A 31 8.280 -7.621 -1.423 1.00 0.00 H ATOM 517 HH11 ARG A 31 7.918 -6.576 -2.844 1.00 0.00 H ATOM 518 HH22 ARG A 31 10.182 -7.293 -0.195 1.00 0.00 H ATOM 519 HH21 ARG A 31 11.338 -5.984 -0.638 1.00 0.00 H ATOM 520 H ARG A 31 6.495 -1.011 -2.765 1.00 0.00 H ATOM 521 N PRO A 32 6.105 -2.739 -6.335 1.00 17.12 N ATOM 522 CA PRO A 32 5.080 -3.689 -6.727 1.00 17.56 C ATOM 523 C PRO A 32 5.513 -5.072 -6.281 1.00 20.97 C ATOM 524 O PRO A 32 6.713 -5.371 -6.222 1.00 20.85 O ATOM 525 CB PRO A 32 5.127 -3.641 -8.254 1.00 18.32 C ATOM 526 CG PRO A 32 6.063 -2.581 -8.629 1.00 20.14 C ATOM 527 CD PRO A 32 6.922 -2.271 -7.467 1.00 18.19 C ATOM 528 HA PRO A 32 4.097 -3.472 -6.309 1.00 0.00 H ATOM 529 HD3 PRO A 32 7.868 -2.810 -7.521 1.00 0.00 H ATOM 530 HD2 PRO A 32 7.119 -1.201 -7.396 1.00 0.00 H ATOM 531 HG3 PRO A 32 5.509 -1.690 -8.923 1.00 0.00 H ATOM 532 HG2 PRO A 32 6.681 -2.915 -9.463 1.00 0.00 H ATOM 533 HB2 PRO A 32 5.470 -4.598 -8.647 1.00 0.00 H ATOM 534 HB3 PRO A 32 4.136 -3.421 -8.651 1.00 0.00 H ATOM 535 N ILE A 33 4.557 -5.919 -5.948 1.00 22.38 N ATOM 536 CA ILE A 33 4.924 -7.292 -5.654 1.00 28.46 C ATOM 537 C ILE A 33 4.384 -8.129 -6.776 1.00 30.75 C ATOM 538 O ILE A 33 3.458 -7.717 -7.492 1.00 30.13 O ATOM 539 CB ILE A 33 4.398 -7.762 -4.306 1.00 27.55 C ATOM 540 CG1 ILE A 33 2.893 -7.943 -4.346 1.00 27.71 C ATOM 541 CG2 ILE A 33 4.684 -6.727 -3.260 1.00 23.91 C ATOM 542 CD1 ILE A 33 2.357 -8.709 -3.135 1.00 34.20 C ATOM 543 HA ILE A 33 6.008 -7.382 -5.581 1.00 0.00 H ATOM 544 HB ILE A 33 4.888 -8.708 -4.075 1.00 0.00 H ATOM 545 HG12 ILE A 33 2.424 -6.959 -4.372 1.00 0.00 H ATOM 546 HG13 ILE A 33 2.632 -8.493 -5.250 1.00 0.00 H ATOM 547 HD11 ILE A 33 2.812 -9.699 -3.103 1.00 0.00 H ATOM 548 HD12 ILE A 33 2.604 -8.164 -2.224 1.00 0.00 H ATOM 549 HD13 ILE A 33 1.275 -8.808 -3.219 1.00 0.00 H ATOM 550 HG21 ILE A 33 5.760 -6.569 -3.192 1.00 0.00 H ATOM 551 HG22 ILE A 33 4.194 -5.792 -3.532 1.00 0.00 H ATOM 552 HG23 ILE A 33 4.305 -7.070 -2.298 1.00 0.00 H ATOM 553 H ILE A 33 3.565 -5.610 -5.898 1.00 0.00 H ATOM 554 N THR A 34 4.977 -9.298 -6.956 1.00 37.19 N ATOM 555 CA THR A 34 4.572 -10.144 -8.063 1.00 39.35 C ATOM 556 C THR A 34 3.205 -10.740 -7.782 1.00 40.28 C ATOM 557 O THR A 34 2.976 -11.354 -6.739 1.00 43.92 O ATOM 558 CB THR A 34 5.584 -11.258 -8.315 1.00 40.47 C ATOM 559 OG1 THR A 34 6.018 -11.767 -7.050 1.00 35.90 O ATOM 560 CG2 THR A 34 6.769 -10.689 -9.027 1.00 38.61 C ATOM 561 HA THR A 34 4.524 -9.526 -8.960 1.00 0.00 H ATOM 562 HB THR A 34 5.131 -12.048 -8.914 1.00 0.00 H ATOM 563 HG1 THR A 34 6.438 -11.038 -6.529 1.00 0.00 H ATOM 564 HG23 THR A 34 6.456 -10.296 -9.994 1.00 0.00 H ATOM 565 HG21 THR A 34 7.199 -9.886 -8.429 1.00 0.00 H ATOM 566 HG22 THR A 34 7.513 -11.472 -9.175 1.00 0.00 H ATOM 567 H THR A 34 5.729 -9.609 -6.308 1.00 0.00 H ATOM 568 N THR A 35 2.298 -10.520 -8.717 1.00 52.91 N ATOM 569 CA THR A 35 0.988 -11.120 -8.677 1.00 61.24 C ATOM 570 C THR A 35 0.984 -11.877 -9.988 1.00 65.71 C ATOM 571 O THR A 35 1.647 -11.446 -10.939 1.00 67.24 O ATOM 572 CB THR A 35 -0.103 -10.029 -8.648 1.00 60.67 C ATOM 573 OG1 THR A 35 -0.016 -9.221 -9.832 1.00 55.83 O ATOM 574 CG2 THR A 35 0.078 -9.125 -7.422 1.00 53.49 C ATOM 575 HA THR A 35 0.789 -11.742 -7.804 1.00 0.00 H ATOM 576 HB THR A 35 -1.076 -10.518 -8.600 1.00 0.00 H ATOM 577 HG1 THR A 35 -0.718 -8.524 -9.807 1.00 0.00 H ATOM 578 HG23 THR A 35 0.014 -9.727 -6.516 1.00 0.00 H ATOM 579 HG21 THR A 35 1.053 -8.641 -7.470 1.00 0.00 H ATOM 580 HG22 THR A 35 -0.705 -8.367 -7.412 1.00 0.00 H ATOM 581 H THR A 35 2.538 -9.892 -9.510 1.00 0.00 H ATOM 582 N GLY A 36 0.304 -13.015 -10.048 1.00 62.15 N ATOM 583 CA GLY A 36 0.284 -13.783 -11.281 1.00 66.68 C ATOM 584 C GLY A 36 -0.286 -12.943 -12.407 1.00 68.78 C ATOM 585 O GLY A 36 0.440 -12.286 -13.163 1.00 68.08 O ATOM 586 HA3 GLY A 36 -0.334 -14.670 -11.144 1.00 0.00 H ATOM 587 HA2 GLY A 36 1.300 -14.085 -11.535 1.00 0.00 H ATOM 588 H GLY A 36 -0.214 -13.357 -9.213 1.00 0.00 H ATOM 589 N ASN A 37 -1.608 -12.948 -12.491 1.00 77.05 N ATOM 590 CA ASN A 37 -2.336 -12.209 -13.505 1.00 79.65 C ATOM 591 C ASN A 37 -3.405 -11.372 -12.816 1.00 78.76 C ATOM 592 O ASN A 37 -4.350 -10.890 -13.444 1.00 75.43 O ATOM 593 CB ASN A 37 -2.968 -13.204 -14.466 1.00 82.64 C ATOM 594 CG ASN A 37 -3.258 -14.535 -13.792 1.00 82.28 C ATOM 595 OD1 ASN A 37 -2.416 -15.440 -13.781 1.00 82.77 O ATOM 596 ND2 ASN A 37 -4.445 -14.654 -13.203 1.00 78.23 N ATOM 597 HA ASN A 37 -1.673 -11.548 -14.064 1.00 0.00 H ATOM 598 HB2 ASN A 37 -3.903 -12.787 -14.841 1.00 0.00 H ATOM 599 HB3 ASN A 37 -2.286 -13.372 -15.300 1.00 0.00 H ATOM 600 HD22 ASN A 37 -5.124 -13.867 -13.237 1.00 0.00 H ATOM 601 HD21 ASN A 37 -4.694 -15.534 -12.709 1.00 0.00 H ATOM 602 H ASN A 37 -2.148 -13.506 -11.799 1.00 0.00 H ATOM 603 N SER A 38 -3.244 -11.233 -11.503 1.00 71.77 N ATOM 604 CA SER A 38 -4.083 -10.372 -10.688 1.00 67.26 C ATOM 605 C SER A 38 -3.608 -8.937 -10.951 1.00 61.61 C ATOM 606 O SER A 38 -2.504 -8.746 -11.489 1.00 60.21 O ATOM 607 CB SER A 38 -3.933 -10.762 -9.206 1.00 62.17 C ATOM 608 OG SER A 38 -4.211 -12.142 -9.000 1.00 62.69 O ATOM 609 HA SER A 38 -5.140 -10.468 -10.935 1.00 0.00 H ATOM 610 HB2 SER A 38 -4.627 -10.168 -8.611 1.00 0.00 H ATOM 611 HB3 SER A 38 -2.912 -10.554 -8.886 1.00 0.00 H ATOM 612 HG SER A 38 -4.106 -12.359 -8.040 1.00 0.00 H ATOM 613 H SER A 38 -2.481 -11.766 -11.038 1.00 0.00 H ATOM 614 N PRO A 39 -4.431 -7.924 -10.597 1.00 55.58 N ATOM 615 CA PRO A 39 -3.955 -6.550 -10.800 1.00 48.23 C ATOM 616 C PRO A 39 -2.762 -6.310 -9.898 1.00 42.16 C ATOM 617 O PRO A 39 -2.576 -7.052 -8.925 1.00 41.45 O ATOM 618 CB PRO A 39 -5.143 -5.683 -10.336 1.00 44.44 C ATOM 619 CG PRO A 39 -5.863 -6.540 -9.349 1.00 47.22 C ATOM 620 CD PRO A 39 -5.745 -7.948 -9.929 1.00 51.30 C ATOM 621 HA PRO A 39 -3.651 -6.337 -11.825 1.00 0.00 H ATOM 622 HD3 PRO A 39 -5.770 -8.700 -9.140 1.00 0.00 H ATOM 623 HD2 PRO A 39 -6.544 -8.146 -10.643 1.00 0.00 H ATOM 624 HG3 PRO A 39 -6.908 -6.241 -9.265 1.00 0.00 H ATOM 625 HG2 PRO A 39 -5.390 -6.483 -8.368 1.00 0.00 H ATOM 626 HB2 PRO A 39 -4.791 -4.765 -9.866 1.00 0.00 H ATOM 627 HB3 PRO A 39 -5.791 -5.434 -11.176 1.00 0.00 H ATOM 628 N PRO A 40 -1.974 -5.268 -10.190 1.00 36.99 N ATOM 629 CA PRO A 40 -0.738 -5.063 -9.438 1.00 32.57 C ATOM 630 C PRO A 40 -1.053 -4.868 -7.967 1.00 28.64 C ATOM 631 O PRO A 40 -2.155 -4.456 -7.625 1.00 28.73 O ATOM 632 CB PRO A 40 -0.184 -3.763 -10.025 1.00 32.15 C ATOM 633 CG PRO A 40 -0.810 -3.680 -11.396 1.00 36.25 C ATOM 634 CD PRO A 40 -2.173 -4.245 -11.235 1.00 37.26 C ATOM 635 HA PRO A 40 -0.046 -5.902 -9.510 1.00 0.00 H ATOM 636 HD3 PRO A 40 -2.880 -3.482 -10.910 1.00 0.00 H ATOM 637 HD2 PRO A 40 -2.526 -4.694 -12.164 1.00 0.00 H ATOM 638 HG3 PRO A 40 -0.236 -4.264 -12.115 1.00 0.00 H ATOM 639 HG2 PRO A 40 -0.862 -2.644 -11.731 1.00 0.00 H ATOM 640 HB2 PRO A 40 -0.475 -2.908 -9.415 1.00 0.00 H ATOM 641 HB3 PRO A 40 0.903 -3.803 -10.098 1.00 0.00 H ATOM 642 N ARG A 41 -0.092 -5.165 -7.112 1.00 27.31 N ATOM 643 CA ARG A 41 -0.243 -4.980 -5.693 1.00 29.16 C ATOM 644 C ARG A 41 1.024 -4.224 -5.229 1.00 26.05 C ATOM 645 O ARG A 41 2.108 -4.485 -5.732 1.00 25.01 O ATOM 646 CB ARG A 41 -0.402 -6.367 -5.056 1.00 29.30 C ATOM 647 CG ARG A 41 -0.429 -6.405 -3.559 1.00 33.61 C ATOM 648 CD ARG A 41 -1.754 -5.955 -2.954 1.00 36.88 C ATOM 649 NE ARG A 41 -2.862 -6.846 -3.302 1.00 38.83 N ATOM 650 CZ ARG A 41 -4.088 -6.763 -2.781 1.00 38.53 C ATOM 651 NH1 ARG A 41 -4.374 -5.827 -1.868 1.00 38.76 N ATOM 652 NH2 ARG A 41 -5.029 -7.622 -3.189 1.00 33.69 N ATOM 653 HA ARG A 41 -1.119 -4.400 -5.404 1.00 0.00 H ATOM 654 HB2 ARG A 41 -1.337 -6.795 -5.417 1.00 0.00 H ATOM 655 HB3 ARG A 41 0.431 -6.985 -5.390 1.00 0.00 H ATOM 656 HG2 ARG A 41 -0.234 -7.428 -3.238 1.00 0.00 H ATOM 657 HG3 ARG A 41 0.359 -5.752 -3.184 1.00 0.00 H ATOM 658 HD2 ARG A 41 -1.983 -4.954 -3.319 1.00 0.00 H ATOM 659 HD3 ARG A 41 -1.653 -5.931 -1.869 1.00 0.00 H ATOM 660 HE ARG A 41 -2.682 -7.594 -4.002 1.00 0.00 H ATOM 661 HH12 ARG A 41 -5.331 -5.768 -1.466 1.00 0.00 H ATOM 662 HH11 ARG A 41 -3.639 -5.159 -1.560 1.00 0.00 H ATOM 663 HH22 ARG A 41 -5.989 -7.569 -2.792 1.00 0.00 H ATOM 664 HH21 ARG A 41 -4.801 -8.343 -3.903 1.00 0.00 H ATOM 665 H ARG A 41 0.805 -5.546 -7.476 1.00 0.00 H ATOM 666 N TYR A 42 0.880 -3.225 -4.361 1.00 18.42 N ATOM 667 CA TYR A 42 2.040 -2.508 -3.839 1.00 18.21 C ATOM 668 C TYR A 42 2.322 -2.773 -2.350 1.00 16.67 C ATOM 669 O TYR A 42 1.418 -2.753 -1.500 1.00 15.30 O ATOM 670 CB TYR A 42 1.869 -0.979 -4.035 1.00 16.31 C ATOM 671 CG TYR A 42 1.736 -0.665 -5.505 1.00 17.26 C ATOM 672 CD1 TYR A 42 2.856 -0.579 -6.308 1.00 18.03 C ATOM 673 CD2 TYR A 42 0.485 -0.528 -6.106 1.00 18.50 C ATOM 674 CE1 TYR A 42 2.749 -0.343 -7.654 1.00 19.80 C ATOM 675 CE2 TYR A 42 0.371 -0.288 -7.464 1.00 19.99 C ATOM 676 CZ TYR A 42 1.502 -0.199 -8.237 1.00 19.78 C ATOM 677 OH TYR A 42 1.380 0.054 -9.594 1.00 22.78 O ATOM 678 HA TYR A 42 2.889 -2.887 -4.408 1.00 0.00 H ATOM 679 HB3 TYR A 42 2.740 -0.462 -3.631 1.00 0.00 H ATOM 680 HB2 TYR A 42 0.974 -0.644 -3.511 1.00 0.00 H ATOM 681 HD2 TYR A 42 -0.416 -0.611 -5.498 1.00 0.00 H ATOM 682 HE2 TYR A 42 -0.613 -0.170 -7.918 1.00 0.00 H ATOM 683 HE1 TYR A 42 3.648 -0.269 -8.266 1.00 0.00 H ATOM 684 HD1 TYR A 42 3.844 -0.701 -5.863 1.00 0.00 H ATOM 685 HH TYR A 42 0.850 -0.667 -10.017 1.00 0.00 H ATOM 686 H TYR A 42 -0.074 -2.951 -4.050 1.00 0.00 H ATOM 687 N ARG A 43 3.600 -3.012 -2.063 1.00 17.74 N ATOM 688 CA ARG A 43 4.114 -3.167 -0.710 1.00 18.61 C ATOM 689 C ARG A 43 4.790 -1.857 -0.325 1.00 18.30 C ATOM 690 O ARG A 43 5.495 -1.247 -1.147 1.00 16.82 O ATOM 691 CB ARG A 43 5.115 -4.331 -0.682 1.00 18.27 C ATOM 692 CG ARG A 43 5.744 -4.567 0.665 1.00 25.63 C ATOM 693 CD ARG A 43 6.548 -5.875 0.675 1.00 31.10 C ATOM 694 NE ARG A 43 7.099 -6.109 2.011 1.00 30.85 N ATOM 695 CZ ARG A 43 7.827 -7.169 2.346 1.00 34.93 C ATOM 696 NH1 ARG A 43 8.104 -8.094 1.429 1.00 37.71 N ATOM 697 NH2 ARG A 43 8.278 -7.302 3.599 1.00 33.27 N ATOM 698 HA ARG A 43 3.316 -3.391 -0.002 1.00 0.00 H ATOM 699 HB2 ARG A 43 4.592 -5.240 -0.980 1.00 0.00 H ATOM 700 HB3 ARG A 43 5.909 -4.118 -1.398 1.00 0.00 H ATOM 701 HG2 ARG A 43 6.411 -3.737 0.898 1.00 0.00 H ATOM 702 HG3 ARG A 43 4.960 -4.624 1.420 1.00 0.00 H ATOM 703 HD2 ARG A 43 7.363 -5.805 -0.045 1.00 0.00 H ATOM 704 HD3 ARG A 43 5.894 -6.704 0.403 1.00 0.00 H ATOM 705 HE ARG A 43 6.908 -5.399 2.746 1.00 0.00 H ATOM 706 HH12 ARG A 43 8.673 -8.926 1.685 1.00 0.00 H ATOM 707 HH11 ARG A 43 7.751 -7.985 0.457 1.00 0.00 H ATOM 708 HH22 ARG A 43 8.848 -8.132 3.861 1.00 0.00 H ATOM 709 HH21 ARG A 43 8.059 -6.576 4.310 1.00 0.00 H ATOM 710 H ARG A 43 4.271 -3.093 -2.853 1.00 0.00 H ATOM 711 N LEU A 44 4.544 -1.396 0.900 1.00 16.96 N ATOM 712 CA LEU A 44 5.142 -0.147 1.354 1.00 18.13 C ATOM 713 C LEU A 44 6.038 -0.317 2.567 1.00 16.91 C ATOM 714 O LEU A 44 5.715 -1.049 3.491 1.00 16.18 O ATOM 715 CB LEU A 44 4.078 0.892 1.690 1.00 14.86 C ATOM 716 CG LEU A 44 3.238 1.436 0.543 1.00 19.26 C ATOM 717 CD1 LEU A 44 2.086 0.462 0.333 1.00 17.31 C ATOM 718 CD2 LEU A 44 2.697 2.850 0.899 1.00 19.23 C ATOM 719 HA LEU A 44 5.753 0.193 0.518 1.00 0.00 H ATOM 720 HB2 LEU A 44 3.395 0.439 2.409 1.00 0.00 H ATOM 721 HB3 LEU A 44 4.584 1.739 2.155 1.00 0.00 H ATOM 722 HG LEU A 44 3.832 1.530 -0.366 1.00 0.00 H ATOM 723 HD21 LEU A 44 2.080 2.787 1.796 1.00 0.00 H ATOM 724 HD22 LEU A 44 3.535 3.523 1.080 1.00 0.00 H ATOM 725 HD23 LEU A 44 2.098 3.228 0.070 1.00 0.00 H ATOM 726 HD11 LEU A 44 2.484 -0.522 0.086 1.00 0.00 H ATOM 727 HD12 LEU A 44 1.495 0.398 1.247 1.00 0.00 H ATOM 728 HD13 LEU A 44 1.457 0.816 -0.484 1.00 0.00 H ATOM 729 H LEU A 44 3.920 -1.931 1.537 1.00 0.00 H ATOM 730 N LEU A 45 7.177 0.373 2.552 1.00 12.87 N ATOM 731 CA LEU A 45 7.982 0.512 3.748 1.00 14.00 C ATOM 732 C LEU A 45 7.609 1.849 4.329 1.00 14.81 C ATOM 733 O LEU A 45 7.819 2.875 3.665 1.00 13.11 O ATOM 734 CB LEU A 45 9.456 0.549 3.371 1.00 15.62 C ATOM 735 CG LEU A 45 10.466 0.752 4.504 1.00 18.47 C ATOM 736 CD1 LEU A 45 10.515 -0.428 5.442 1.00 14.41 C ATOM 737 CD2 LEU A 45 11.858 0.969 3.908 1.00 15.69 C ATOM 738 HA LEU A 45 7.816 -0.312 4.442 1.00 0.00 H ATOM 739 HB2 LEU A 45 9.694 -0.398 2.886 1.00 0.00 H ATOM 740 HB3 LEU A 45 9.592 1.364 2.661 1.00 0.00 H ATOM 741 HG LEU A 45 10.147 1.623 5.076 1.00 0.00 H ATOM 742 HD21 LEU A 45 12.140 0.096 3.319 1.00 0.00 H ATOM 743 HD22 LEU A 45 11.844 1.851 3.268 1.00 0.00 H ATOM 744 HD23 LEU A 45 12.578 1.114 4.713 1.00 0.00 H ATOM 745 HD11 LEU A 45 9.531 -0.578 5.887 1.00 0.00 H ATOM 746 HD12 LEU A 45 10.803 -1.320 4.886 1.00 0.00 H ATOM 747 HD13 LEU A 45 11.246 -0.236 6.228 1.00 0.00 H ATOM 748 H LEU A 45 7.493 0.819 1.667 1.00 0.00 H ATOM 749 N MET A 46 7.013 1.833 5.521 1.00 11.63 N ATOM 750 CA MET A 46 6.509 3.040 6.206 1.00 11.20 C ATOM 751 C MET A 46 7.264 3.322 7.480 1.00 11.26 C ATOM 752 O MET A 46 7.794 2.394 8.141 1.00 11.56 O ATOM 753 CB MET A 46 5.029 2.854 6.591 1.00 13.25 C ATOM 754 CG MET A 46 4.167 2.391 5.450 1.00 13.48 C ATOM 755 SD MET A 46 3.867 3.615 4.180 1.00 20.63 S ATOM 756 CE MET A 46 2.854 4.821 5.059 1.00 13.42 C ATOM 757 HA MET A 46 6.640 3.869 5.510 1.00 0.00 H ATOM 758 HB2 MET A 46 4.970 2.115 7.390 1.00 0.00 H ATOM 759 HB3 MET A 46 4.643 3.808 6.951 1.00 0.00 H ATOM 760 HG2 MET A 46 3.204 2.083 5.857 1.00 0.00 H ATOM 761 HG3 MET A 46 4.654 1.534 4.985 1.00 0.00 H ATOM 762 HE1 MET A 46 1.943 4.339 5.413 1.00 0.00 H ATOM 763 HE2 MET A 46 3.413 5.213 5.909 1.00 0.00 H ATOM 764 HE3 MET A 46 2.596 5.637 4.384 1.00 0.00 H ATOM 765 H MET A 46 6.896 0.916 5.997 1.00 0.00 H ATOM 766 N SER A 47 7.241 4.585 7.879 1.00 13.38 N ATOM 767 CA SER A 47 7.947 5.004 9.074 1.00 14.14 C ATOM 768 C SER A 47 7.010 5.817 9.945 1.00 13.52 C ATOM 769 O SER A 47 6.250 6.625 9.441 1.00 12.77 O ATOM 770 CB SER A 47 9.102 5.924 8.643 1.00 13.29 C ATOM 771 OG SER A 47 9.701 6.585 9.788 1.00 12.99 O ATOM 772 HA SER A 47 8.312 4.134 9.619 1.00 0.00 H ATOM 773 HB2 SER A 47 8.719 6.679 7.957 1.00 0.00 H ATOM 774 HB3 SER A 47 9.862 5.328 8.138 1.00 0.00 H ATOM 775 HG SER A 47 10.439 7.169 9.481 1.00 0.00 H ATOM 776 H SER A 47 6.708 5.287 7.327 1.00 0.00 H ATOM 777 N ASP A 48 7.085 5.623 11.263 1.00 16.24 N ATOM 778 CA ASP A 48 6.385 6.508 12.177 1.00 16.55 C ATOM 779 C ASP A 48 7.328 7.482 12.876 1.00 16.87 C ATOM 780 O ASP A 48 6.929 8.102 13.870 1.00 17.06 O ATOM 781 CB ASP A 48 5.569 5.696 13.203 1.00 15.63 C ATOM 782 CG ASP A 48 6.447 4.943 14.191 1.00 17.43 C ATOM 783 OD1 ASP A 48 7.709 4.992 14.109 1.00 16.87 O ATOM 784 OD2 ASP A 48 5.877 4.248 15.063 1.00 17.97 O ATOM 785 HA ASP A 48 5.697 7.108 11.581 1.00 0.00 H ATOM 786 HB2 ASP A 48 4.927 6.380 13.758 1.00 0.00 H ATOM 787 HB3 ASP A 48 4.952 4.976 12.666 1.00 0.00 H ATOM 788 H ASP A 48 7.648 4.833 11.638 1.00 0.00 H ATOM 789 N GLY A 49 8.558 7.629 12.367 1.00 17.06 N ATOM 790 CA GLY A 49 9.567 8.470 13.002 1.00 20.50 C ATOM 791 C GLY A 49 10.517 7.695 13.917 1.00 20.31 C ATOM 792 O GLY A 49 11.679 8.067 14.075 1.00 22.46 O ATOM 793 HA3 GLY A 49 9.059 9.231 13.595 1.00 0.00 H ATOM 794 HA2 GLY A 49 10.156 8.953 12.222 1.00 0.00 H ATOM 795 H GLY A 49 8.802 7.127 11.490 1.00 0.00 H ATOM 796 N LEU A 50 10.019 6.623 14.519 1.00 19.87 N ATOM 797 CA LEU A 50 10.796 5.798 15.453 1.00 19.08 C ATOM 798 C LEU A 50 11.217 4.505 14.805 1.00 20.07 C ATOM 799 O LEU A 50 12.374 4.040 14.901 1.00 20.10 O ATOM 800 CB LEU A 50 9.901 5.410 16.618 1.00 20.13 C ATOM 801 CG LEU A 50 9.625 6.511 17.620 1.00 21.99 C ATOM 802 CD1 LEU A 50 9.022 5.862 18.856 1.00 21.90 C ATOM 803 CD2 LEU A 50 10.869 7.282 17.959 1.00 21.52 C ATOM 804 HA LEU A 50 11.668 6.372 15.765 1.00 0.00 H ATOM 805 HB2 LEU A 50 8.946 5.077 16.212 1.00 0.00 H ATOM 806 HB3 LEU A 50 10.377 4.585 17.148 1.00 0.00 H ATOM 807 HG LEU A 50 8.931 7.236 17.194 1.00 0.00 H ATOM 808 HD21 LEU A 50 11.608 6.606 18.388 1.00 0.00 H ATOM 809 HD22 LEU A 50 11.272 7.736 17.053 1.00 0.00 H ATOM 810 HD23 LEU A 50 10.626 8.062 18.681 1.00 0.00 H ATOM 811 HD11 LEU A 50 8.097 5.353 18.583 1.00 0.00 H ATOM 812 HD12 LEU A 50 9.728 5.140 19.267 1.00 0.00 H ATOM 813 HD13 LEU A 50 8.810 6.629 19.601 1.00 0.00 H ATOM 814 H LEU A 50 9.034 6.355 14.321 1.00 0.00 H ATOM 815 N ASN A 51 10.215 3.878 14.189 1.00 15.76 N ATOM 816 CA ASN A 51 10.412 2.607 13.530 1.00 15.58 C ATOM 817 C ASN A 51 10.025 2.633 12.070 1.00 15.56 C ATOM 818 O ASN A 51 9.198 3.448 11.643 1.00 13.43 O ATOM 819 CB ASN A 51 9.505 1.539 14.177 1.00 15.87 C ATOM 820 CG ASN A 51 10.033 1.042 15.525 1.00 19.37 C ATOM 821 OD1 ASN A 51 9.334 1.139 16.531 1.00 17.83 O ATOM 822 ND2 ASN A 51 11.255 0.512 15.546 1.00 20.32 N ATOM 823 HA ASN A 51 11.475 2.385 13.629 1.00 0.00 H ATOM 824 HB2 ASN A 51 8.515 1.969 14.329 1.00 0.00 H ATOM 825 HB3 ASN A 51 9.430 0.689 13.498 1.00 0.00 H ATOM 826 HD22 ASN A 51 11.810 0.451 14.669 1.00 0.00 H ATOM 827 HD21 ASN A 51 11.654 0.160 16.440 1.00 0.00 H ATOM 828 H ASN A 51 9.270 4.313 14.182 1.00 0.00 H ATOM 829 N THR A 52 10.622 1.736 11.296 1.00 19.98 N ATOM 830 CA THR A 52 10.067 1.405 9.978 1.00 18.98 C ATOM 831 C THR A 52 9.431 0.024 10.038 1.00 19.85 C ATOM 832 O THR A 52 9.749 -0.801 10.909 1.00 21.70 O ATOM 833 CB THR A 52 11.112 1.379 8.859 1.00 18.23 C ATOM 834 OG1 THR A 52 12.154 0.450 9.197 1.00 19.15 O ATOM 835 CG2 THR A 52 11.713 2.769 8.676 1.00 19.11 C ATOM 836 HA THR A 52 9.346 2.189 9.746 1.00 0.00 H ATOM 837 HB THR A 52 10.632 1.070 7.930 1.00 0.00 H ATOM 838 HG1 THR A 52 11.766 -0.454 9.307 1.00 0.00 H ATOM 839 HG23 THR A 52 10.923 3.474 8.419 1.00 0.00 H ATOM 840 HG21 THR A 52 12.193 3.081 9.604 1.00 0.00 H ATOM 841 HG22 THR A 52 12.451 2.742 7.875 1.00 0.00 H ATOM 842 H THR A 52 11.489 1.264 11.625 1.00 0.00 H ATOM 843 N LEU A 53 8.552 -0.237 9.076 1.00 16.09 N ATOM 844 CA LEU A 53 7.901 -1.525 8.978 1.00 17.95 C ATOM 845 C LEU A 53 7.641 -1.788 7.514 1.00 18.49 C ATOM 846 O LEU A 53 7.118 -0.925 6.828 1.00 16.30 O ATOM 847 CB LEU A 53 6.575 -1.491 9.726 1.00 16.06 C ATOM 848 CG LEU A 53 5.842 -2.832 9.818 1.00 18.36 C ATOM 849 CD1 LEU A 53 6.575 -3.793 10.687 1.00 20.83 C ATOM 850 CD2 LEU A 53 4.417 -2.558 10.287 1.00 17.71 C ATOM 851 HA LEU A 53 8.527 -2.305 9.412 1.00 0.00 H ATOM 852 HB2 LEU A 53 6.769 -1.142 10.740 1.00 0.00 H ATOM 853 HB3 LEU A 53 5.920 -0.783 9.219 1.00 0.00 H ATOM 854 HG LEU A 53 5.799 -3.314 8.841 1.00 0.00 H ATOM 855 HD21 LEU A 53 4.444 -2.075 11.264 1.00 0.00 H ATOM 856 HD22 LEU A 53 3.919 -1.904 9.571 1.00 0.00 H ATOM 857 HD23 LEU A 53 3.873 -3.500 10.361 1.00 0.00 H ATOM 858 HD11 LEU A 53 7.569 -3.969 10.275 1.00 0.00 H ATOM 859 HD12 LEU A 53 6.665 -3.378 11.691 1.00 0.00 H ATOM 860 HD13 LEU A 53 6.026 -4.734 10.730 1.00 0.00 H ATOM 861 H LEU A 53 8.327 0.501 8.378 1.00 0.00 H ATOM 862 N SER A 54 7.956 -3.001 7.045 1.00 18.13 N ATOM 863 CA SER A 54 7.900 -3.239 5.608 1.00 21.39 C ATOM 864 C SER A 54 6.680 -4.060 5.224 1.00 23.29 C ATOM 865 O SER A 54 6.550 -4.442 4.074 1.00 23.12 O ATOM 866 CB SER A 54 9.167 -3.964 5.124 1.00 24.11 C ATOM 867 OG SER A 54 9.327 -5.173 5.825 1.00 23.83 O ATOM 868 HA SER A 54 7.832 -2.263 5.127 1.00 0.00 H ATOM 869 HB2 SER A 54 10.035 -3.328 5.297 1.00 0.00 H ATOM 870 HB3 SER A 54 9.078 -4.173 4.058 1.00 0.00 H ATOM 871 HG SER A 54 10.144 -5.632 5.507 1.00 0.00 H ATOM 872 H SER A 54 8.236 -3.762 7.696 1.00 0.00 H ATOM 873 N SER A 55 5.788 -4.321 6.168 1.00 20.70 N ATOM 874 CA SER A 55 4.730 -5.294 5.881 1.00 20.94 C ATOM 875 C SER A 55 3.391 -4.612 5.655 1.00 20.14 C ATOM 876 O SER A 55 2.352 -5.174 5.918 1.00 19.87 O ATOM 877 CB SER A 55 4.623 -6.316 6.990 1.00 21.07 C ATOM 878 OG SER A 55 4.181 -5.652 8.143 1.00 23.99 O ATOM 879 HA SER A 55 5.002 -5.809 4.960 1.00 0.00 H ATOM 880 HB2 SER A 55 5.598 -6.769 7.173 1.00 0.00 H ATOM 881 HB3 SER A 55 3.910 -7.092 6.712 1.00 0.00 H ATOM 882 HG SER A 55 3.298 -5.241 7.967 1.00 0.00 H ATOM 883 H SER A 55 5.837 -3.846 7.092 1.00 0.00 H ATOM 884 N PHE A 56 3.433 -3.407 5.116 1.00 18.10 N ATOM 885 CA PHE A 56 2.224 -2.740 4.649 1.00 18.15 C ATOM 886 C PHE A 56 1.900 -3.074 3.188 1.00 19.41 C ATOM 887 O PHE A 56 2.808 -3.122 2.328 1.00 19.25 O ATOM 888 CB PHE A 56 2.407 -1.220 4.720 1.00 17.45 C ATOM 889 CG PHE A 56 2.466 -0.672 6.121 1.00 16.73 C ATOM 890 CD1 PHE A 56 1.292 -0.350 6.788 1.00 17.49 C ATOM 891 CD2 PHE A 56 3.695 -0.424 6.743 1.00 14.28 C ATOM 892 CE1 PHE A 56 1.312 0.208 8.059 1.00 14.76 C ATOM 893 CE2 PHE A 56 3.734 0.149 8.033 1.00 14.91 C ATOM 894 CZ PHE A 56 2.520 0.460 8.688 1.00 15.44 C ATOM 895 HA PHE A 56 1.415 -3.087 5.292 1.00 0.00 H ATOM 896 HB2 PHE A 56 3.337 -0.963 4.212 1.00 0.00 H ATOM 897 HB3 PHE A 56 1.570 -0.750 4.203 1.00 0.00 H ATOM 898 HD2 PHE A 56 4.624 -0.674 6.231 1.00 0.00 H ATOM 899 HE2 PHE A 56 4.689 0.349 8.518 1.00 0.00 H ATOM 900 HZ PHE A 56 2.535 0.897 9.686 1.00 0.00 H ATOM 901 HE1 PHE A 56 0.376 0.448 8.563 1.00 0.00 H ATOM 902 HD1 PHE A 56 0.334 -0.539 6.304 1.00 0.00 H ATOM 903 H PHE A 56 4.349 -2.923 5.023 1.00 0.00 H ATOM 904 N MET A 57 0.622 -3.323 2.909 1.00 18.90 N ATOM 905 CA MET A 57 0.157 -3.517 1.542 1.00 19.83 C ATOM 906 C MET A 57 -0.935 -2.511 1.261 1.00 19.24 C ATOM 907 O MET A 57 -1.766 -2.257 2.096 1.00 18.16 O ATOM 908 CB MET A 57 -0.448 -4.907 1.336 1.00 20.24 C ATOM 909 CG MET A 57 0.487 -6.060 1.583 1.00 23.02 C ATOM 910 SD MET A 57 2.037 -5.935 0.685 1.00 29.67 S ATOM 911 CE MET A 57 1.463 -5.918 -0.982 1.00 28.31 C ATOM 912 HA MET A 57 1.014 -3.399 0.879 1.00 0.00 H ATOM 913 HB2 MET A 57 -1.295 -5.009 2.014 1.00 0.00 H ATOM 914 HB3 MET A 57 -0.799 -4.972 0.306 1.00 0.00 H ATOM 915 HG2 MET A 57 -0.013 -6.980 1.281 1.00 0.00 H ATOM 916 HG3 MET A 57 0.709 -6.102 2.649 1.00 0.00 H ATOM 917 HE1 MET A 57 0.915 -6.838 -1.186 1.00 0.00 H ATOM 918 HE2 MET A 57 0.805 -5.062 -1.130 1.00 0.00 H ATOM 919 HE3 MET A 57 2.315 -5.844 -1.658 1.00 0.00 H ATOM 920 H MET A 57 -0.064 -3.381 3.689 1.00 0.00 H ATOM 921 N LEU A 58 -0.953 -1.979 0.056 1.00 17.57 N ATOM 922 CA LEU A 58 -2.016 -1.081 -0.308 1.00 20.07 C ATOM 923 C LEU A 58 -3.210 -1.886 -0.841 1.00 20.83 C ATOM 924 O LEU A 58 -3.025 -2.821 -1.627 1.00 20.54 O ATOM 925 CB LEU A 58 -1.478 -0.190 -1.407 1.00 21.45 C ATOM 926 CG LEU A 58 -2.185 1.100 -1.690 1.00 20.86 C ATOM 927 CD1 LEU A 58 -2.023 2.060 -0.471 1.00 16.53 C ATOM 928 CD2 LEU A 58 -1.504 1.668 -2.953 1.00 20.38 C ATOM 929 HA LEU A 58 -2.347 -0.495 0.550 1.00 0.00 H ATOM 930 HB2 LEU A 58 -0.449 0.057 -1.147 1.00 0.00 H ATOM 931 HB3 LEU A 58 -1.489 -0.772 -2.328 1.00 0.00 H ATOM 932 HG LEU A 58 -3.256 0.971 -1.850 1.00 0.00 H ATOM 933 HD21 LEU A 58 -0.445 1.827 -2.752 1.00 0.00 H ATOM 934 HD22 LEU A 58 -1.617 0.961 -3.775 1.00 0.00 H ATOM 935 HD23 LEU A 58 -1.971 2.616 -3.221 1.00 0.00 H ATOM 936 HD11 LEU A 58 -2.454 1.595 0.416 1.00 0.00 H ATOM 937 HD12 LEU A 58 -0.964 2.255 -0.302 1.00 0.00 H ATOM 938 HD13 LEU A 58 -2.538 2.998 -0.678 1.00 0.00 H ATOM 939 H LEU A 58 -0.203 -2.207 -0.628 1.00 0.00 H ATOM 940 N ALA A 59 -4.427 -1.554 -0.395 1.00 18.45 N ATOM 941 CA ALA A 59 -5.639 -2.084 -1.022 1.00 20.11 C ATOM 942 C ALA A 59 -5.626 -1.683 -2.494 1.00 21.10 C ATOM 943 O ALA A 59 -5.198 -0.583 -2.833 1.00 18.90 O ATOM 944 CB ALA A 59 -6.881 -1.481 -0.350 1.00 19.87 C ATOM 945 HA ALA A 59 -5.668 -3.168 -0.917 1.00 0.00 H ATOM 946 HB1 ALA A 59 -6.881 -1.739 0.709 1.00 0.00 H ATOM 947 HB2 ALA A 59 -6.862 -0.397 -0.461 1.00 0.00 H ATOM 948 HB3 ALA A 59 -7.778 -1.881 -0.823 1.00 0.00 H ATOM 949 H ALA A 59 -4.514 -0.906 0.414 1.00 0.00 H ATOM 950 N THR A 60 -6.076 -2.583 -3.370 1.00 22.38 N ATOM 951 CA THR A 60 -5.981 -2.351 -4.797 1.00 21.17 C ATOM 952 C THR A 60 -6.779 -1.118 -5.258 1.00 20.38 C ATOM 953 O THR A 60 -6.444 -0.464 -6.252 1.00 22.33 O ATOM 954 CB THR A 60 -6.346 -3.643 -5.554 1.00 23.01 C ATOM 955 OG1 THR A 60 -7.608 -4.117 -5.090 1.00 29.99 O ATOM 956 CG2 THR A 60 -5.298 -4.715 -5.243 1.00 25.16 C ATOM 957 HA THR A 60 -4.948 -2.103 -5.041 1.00 0.00 H ATOM 958 HB THR A 60 -6.384 -3.439 -6.624 1.00 0.00 H ATOM 959 HG1 THR A 60 -7.552 -4.304 -4.119 1.00 0.00 H ATOM 960 HG23 THR A 60 -4.321 -4.377 -5.588 1.00 0.00 H ATOM 961 HG21 THR A 60 -5.265 -4.888 -4.167 1.00 0.00 H ATOM 962 HG22 THR A 60 -5.565 -5.641 -5.753 1.00 0.00 H ATOM 963 H THR A 60 -6.502 -3.466 -3.023 1.00 0.00 H ATOM 964 N GLN A 61 -7.806 -0.755 -4.496 1.00 25.43 N ATOM 965 CA GLN A 61 -8.598 0.426 -4.827 1.00 28.11 C ATOM 966 C GLN A 61 -7.744 1.701 -4.726 1.00 26.02 C ATOM 967 O GLN A 61 -8.081 2.735 -5.316 1.00 26.49 O ATOM 968 CB GLN A 61 -9.831 0.530 -3.913 1.00 30.94 C ATOM 969 CG GLN A 61 -9.478 0.903 -2.455 1.00 32.57 C ATOM 970 CD GLN A 61 -10.577 0.552 -1.458 1.00 41.33 C ATOM 971 OE1 GLN A 61 -11.708 0.239 -1.840 1.00 44.19 O ATOM 972 NE2 GLN A 61 -10.243 0.605 -0.170 1.00 38.49 N ATOM 973 HA GLN A 61 -8.942 0.324 -5.856 1.00 0.00 H ATOM 974 HB2 GLN A 61 -10.497 1.294 -4.315 1.00 0.00 H ATOM 975 HB3 GLN A 61 -10.343 -0.432 -3.911 1.00 0.00 H ATOM 976 HG2 GLN A 61 -8.571 0.370 -2.172 1.00 0.00 H ATOM 977 HG3 GLN A 61 -9.297 1.977 -2.407 1.00 0.00 H ATOM 978 HE22 GLN A 61 -9.277 0.874 0.106 1.00 0.00 H ATOM 979 HE21 GLN A 61 -10.948 0.377 0.560 1.00 0.00 H ATOM 980 H GLN A 61 -8.048 -1.318 -3.656 1.00 0.00 H ATOM 981 N LEU A 62 -6.622 1.615 -4.022 1.00 21.36 N ATOM 982 CA LEU A 62 -5.769 2.778 -3.864 1.00 22.27 C ATOM 983 C LEU A 62 -4.628 2.757 -4.864 1.00 22.53 C ATOM 984 O LEU A 62 -3.818 3.669 -4.868 1.00 19.13 O ATOM 985 CB LEU A 62 -5.190 2.867 -2.458 1.00 20.07 C ATOM 986 CG LEU A 62 -6.209 2.957 -1.320 1.00 23.44 C ATOM 987 CD1 LEU A 62 -5.457 3.230 -0.045 1.00 19.49 C ATOM 988 CD2 LEU A 62 -7.231 4.041 -1.644 1.00 24.15 C ATOM 989 HA LEU A 62 -6.397 3.651 -4.043 1.00 0.00 H ATOM 990 HB2 LEU A 62 -4.580 1.979 -2.291 1.00 0.00 H ATOM 991 HB3 LEU A 62 -4.558 3.754 -2.412 1.00 0.00 H ATOM 992 HG LEU A 62 -6.762 2.026 -1.198 1.00 0.00 H ATOM 993 HD21 LEU A 62 -6.721 4.998 -1.755 1.00 0.00 H ATOM 994 HD22 LEU A 62 -7.742 3.791 -2.574 1.00 0.00 H ATOM 995 HD23 LEU A 62 -7.958 4.107 -0.834 1.00 0.00 H ATOM 996 HD11 LEU A 62 -4.754 2.418 0.141 1.00 0.00 H ATOM 997 HD12 LEU A 62 -4.913 4.170 -0.140 1.00 0.00 H ATOM 998 HD13 LEU A 62 -6.162 3.299 0.783 1.00 0.00 H ATOM 999 H LEU A 62 -6.354 0.711 -3.582 1.00 0.00 H ATOM 1000 N ASN A 63 -4.546 1.732 -5.712 1.00 18.26 N ATOM 1001 CA ASN A 63 -3.487 1.742 -6.739 1.00 18.72 C ATOM 1002 C ASN A 63 -3.293 3.036 -7.555 1.00 20.10 C ATOM 1003 O ASN A 63 -2.146 3.404 -7.906 1.00 19.77 O ATOM 1004 CB ASN A 63 -3.664 0.568 -7.711 1.00 19.27 C ATOM 1005 CG ASN A 63 -3.261 -0.771 -7.094 1.00 20.39 C ATOM 1006 OD1 ASN A 63 -2.911 -0.868 -5.890 1.00 17.57 O ATOM 1007 ND2 ASN A 63 -3.286 -1.816 -7.933 1.00 21.96 N ATOM 1008 HA ASN A 63 -2.580 1.656 -6.141 1.00 0.00 H ATOM 1009 HB2 ASN A 63 -4.711 0.515 -8.008 1.00 0.00 H ATOM 1010 HB3 ASN A 63 -3.047 0.747 -8.591 1.00 0.00 H ATOM 1011 HD22 ASN A 63 -3.584 -1.683 -8.921 1.00 0.00 H ATOM 1012 HD21 ASN A 63 -3.008 -2.760 -7.596 1.00 0.00 H ATOM 1013 H ASN A 63 -5.217 0.939 -5.651 1.00 0.00 H ATOM 1014 N PRO A 64 -4.388 3.725 -7.920 1.00 20.02 N ATOM 1015 CA PRO A 64 -4.155 4.928 -8.720 1.00 20.98 C ATOM 1016 C PRO A 64 -3.310 5.984 -7.992 1.00 19.60 C ATOM 1017 O PRO A 64 -2.675 6.788 -8.677 1.00 21.24 O ATOM 1018 CB PRO A 64 -5.580 5.450 -8.991 1.00 22.15 C ATOM 1019 CG PRO A 64 -6.417 4.202 -8.967 1.00 24.90 C ATOM 1020 CD PRO A 64 -5.828 3.392 -7.844 1.00 19.55 C ATOM 1021 HA PRO A 64 -3.585 4.710 -9.623 1.00 0.00 H ATOM 1022 HD3 PRO A 64 -6.250 3.687 -6.883 1.00 0.00 H ATOM 1023 HD2 PRO A 64 -5.994 2.326 -8.000 1.00 0.00 H ATOM 1024 HG3 PRO A 64 -6.342 3.666 -9.913 1.00 0.00 H ATOM 1025 HG2 PRO A 64 -7.462 4.439 -8.768 1.00 0.00 H ATOM 1026 HB2 PRO A 64 -5.895 6.147 -8.214 1.00 0.00 H ATOM 1027 HB3 PRO A 64 -5.638 5.941 -9.963 1.00 0.00 H ATOM 1028 N LEU A 65 -3.331 5.996 -6.659 1.00 21.73 N ATOM 1029 CA LEU A 65 -2.495 6.937 -5.884 1.00 19.95 C ATOM 1030 C LEU A 65 -1.025 6.765 -6.235 1.00 20.61 C ATOM 1031 O LEU A 65 -0.269 7.734 -6.401 1.00 20.17 O ATOM 1032 CB LEU A 65 -2.658 6.740 -4.392 1.00 18.41 C ATOM 1033 CG LEU A 65 -4.076 6.895 -3.850 1.00 21.81 C ATOM 1034 CD1 LEU A 65 -4.014 7.026 -2.330 1.00 22.12 C ATOM 1035 CD2 LEU A 65 -4.672 8.095 -4.465 1.00 23.66 C ATOM 1036 HA LEU A 65 -2.829 7.941 -6.147 1.00 0.00 H ATOM 1037 HB2 LEU A 65 -2.315 5.734 -4.148 1.00 0.00 H ATOM 1038 HB3 LEU A 65 -2.026 7.470 -3.887 1.00 0.00 H ATOM 1039 HG LEU A 65 -4.690 6.028 -4.092 1.00 0.00 H ATOM 1040 HD21 LEU A 65 -4.073 8.969 -4.208 1.00 0.00 H ATOM 1041 HD22 LEU A 65 -4.694 7.974 -5.548 1.00 0.00 H ATOM 1042 HD23 LEU A 65 -5.688 8.227 -4.092 1.00 0.00 H ATOM 1043 HD11 LEU A 65 -3.554 6.133 -1.908 1.00 0.00 H ATOM 1044 HD12 LEU A 65 -3.421 7.901 -2.066 1.00 0.00 H ATOM 1045 HD13 LEU A 65 -5.024 7.137 -1.935 1.00 0.00 H ATOM 1046 H LEU A 65 -3.949 5.329 -6.154 1.00 0.00 H ATOM 1047 N VAL A 66 -0.629 5.518 -6.386 1.00 18.93 N ATOM 1048 CA VAL A 66 0.754 5.195 -6.746 1.00 18.86 C ATOM 1049 C VAL A 66 1.017 5.394 -8.219 1.00 20.52 C ATOM 1050 O VAL A 66 2.042 5.975 -8.606 1.00 19.91 O ATOM 1051 CB VAL A 66 1.081 3.708 -6.392 1.00 18.73 C ATOM 1052 CG1 VAL A 66 2.481 3.345 -6.865 1.00 20.04 C ATOM 1053 CG2 VAL A 66 0.962 3.523 -4.942 1.00 16.75 C ATOM 1054 HA VAL A 66 1.389 5.873 -6.176 1.00 0.00 H ATOM 1055 HB VAL A 66 0.375 3.050 -6.898 1.00 0.00 H ATOM 1056 HG11 VAL A 66 2.543 3.475 -7.945 1.00 0.00 H ATOM 1057 HG12 VAL A 66 3.208 3.995 -6.377 1.00 0.00 H ATOM 1058 HG13 VAL A 66 2.691 2.306 -6.610 1.00 0.00 H ATOM 1059 HG21 VAL A 66 1.664 4.185 -4.434 1.00 0.00 H ATOM 1060 HG22 VAL A 66 -0.055 3.760 -4.629 1.00 0.00 H ATOM 1061 HG23 VAL A 66 1.189 2.487 -4.689 1.00 0.00 H ATOM 1062 H VAL A 66 -1.312 4.746 -6.247 1.00 0.00 H ATOM 1063 N GLU A 67 0.077 4.935 -9.059 1.00 19.66 N ATOM 1064 CA GLU A 67 0.264 4.952 -10.499 1.00 22.95 C ATOM 1065 C GLU A 67 0.207 6.347 -11.082 1.00 23.98 C ATOM 1066 O GLU A 67 0.827 6.592 -12.106 1.00 24.28 O ATOM 1067 CB GLU A 67 -0.694 3.964 -11.189 1.00 24.21 C ATOM 1068 CG GLU A 67 -0.286 2.520 -10.817 1.00 25.33 C ATOM 1069 CD GLU A 67 -1.366 1.481 -11.066 1.00 27.68 C ATOM 1070 OE1 GLU A 67 -2.429 1.846 -11.644 1.00 30.77 O ATOM 1071 OE2 GLU A 67 -1.144 0.292 -10.699 1.00 33.65 O ATOM 1072 HA GLU A 67 1.278 4.607 -10.702 1.00 0.00 H ATOM 1073 HB2 GLU A 67 -1.715 4.152 -10.856 1.00 0.00 H ATOM 1074 HB3 GLU A 67 -0.636 4.093 -12.270 1.00 0.00 H ATOM 1075 HG2 GLU A 67 0.590 2.250 -11.406 1.00 0.00 H ATOM 1076 HG3 GLU A 67 -0.030 2.500 -9.758 1.00 0.00 H ATOM 1077 H GLU A 67 -0.810 4.557 -8.668 1.00 0.00 H ATOM 1078 N GLU A 68 -0.451 7.287 -10.392 1.00 27.05 N ATOM 1079 CA GLU A 68 -0.430 8.689 -10.843 1.00 27.46 C ATOM 1080 C GLU A 68 0.507 9.555 -9.990 1.00 27.90 C ATOM 1081 O GLU A 68 0.573 10.780 -10.156 1.00 26.94 O ATOM 1082 CB GLU A 68 -1.835 9.266 -10.868 1.00 27.63 C ATOM 1083 CG GLU A 68 -2.865 8.262 -11.355 1.00 31.55 C ATOM 1084 CD GLU A 68 -4.114 8.917 -11.913 1.00 36.51 C ATOM 1085 OE1 GLU A 68 -4.139 10.180 -11.987 1.00 39.03 O ATOM 1086 OE2 GLU A 68 -5.059 8.175 -12.296 1.00 38.42 O ATOM 1087 HA GLU A 68 -0.035 8.698 -11.859 1.00 0.00 H ATOM 1088 HB2 GLU A 68 -2.102 9.581 -9.859 1.00 0.00 H ATOM 1089 HB3 GLU A 68 -1.847 10.130 -11.532 1.00 0.00 H ATOM 1090 HG2 GLU A 68 -2.413 7.652 -12.137 1.00 0.00 H ATOM 1091 HG3 GLU A 68 -3.151 7.624 -10.519 1.00 0.00 H ATOM 1092 H GLU A 68 -0.979 7.026 -9.535 1.00 0.00 H ATOM 1093 N GLU A 69 1.233 8.883 -9.098 1.00 37.01 N ATOM 1094 CA GLU A 69 2.405 9.426 -8.400 1.00 35.61 C ATOM 1095 C GLU A 69 2.084 10.434 -7.327 1.00 34.81 C ATOM 1096 O GLU A 69 2.945 11.240 -6.970 1.00 33.64 O ATOM 1097 CB GLU A 69 3.405 10.034 -9.382 1.00 40.26 C ATOM 1098 CG GLU A 69 3.888 9.060 -10.406 1.00 43.23 C ATOM 1099 CD GLU A 69 4.895 9.672 -11.352 1.00 48.73 C ATOM 1100 OE1 GLU A 69 6.002 10.028 -10.885 1.00 50.79 O ATOM 1101 OE2 GLU A 69 4.580 9.803 -12.561 1.00 49.80 O ATOM 1102 HA GLU A 69 2.846 8.565 -7.898 1.00 0.00 H ATOM 1103 HB2 GLU A 69 2.925 10.867 -9.895 1.00 0.00 H ATOM 1104 HB3 GLU A 69 4.264 10.401 -8.820 1.00 0.00 H ATOM 1105 HG2 GLU A 69 4.354 8.217 -9.896 1.00 0.00 H ATOM 1106 HG3 GLU A 69 3.034 8.707 -10.984 1.00 0.00 H ATOM 1107 H GLU A 69 0.950 7.906 -8.881 1.00 0.00 H ATOM 1108 N GLN A 70 0.855 10.421 -6.818 1.00 36.56 N ATOM 1109 CA GLN A 70 0.553 11.292 -5.686 1.00 36.20 C ATOM 1110 C GLN A 70 1.081 10.675 -4.393 1.00 33.67 C ATOM 1111 O GLN A 70 1.329 11.403 -3.422 1.00 34.43 O ATOM 1112 CB GLN A 70 -0.945 11.603 -5.547 1.00 38.13 C ATOM 1113 CG GLN A 70 -1.538 12.376 -6.696 1.00 43.47 C ATOM 1114 CD GLN A 70 -1.876 11.440 -7.829 1.00 47.87 C ATOM 1115 OE1 GLN A 70 -1.979 10.221 -7.623 1.00 49.07 O ATOM 1116 NE2 GLN A 70 -2.029 11.990 -9.040 1.00 46.06 N ATOM 1117 HA GLN A 70 1.055 12.240 -5.878 1.00 0.00 H ATOM 1118 HB2 GLN A 70 -1.481 10.658 -5.461 1.00 0.00 H ATOM 1119 HB3 GLN A 70 -1.088 12.185 -4.637 1.00 0.00 H ATOM 1120 HG2 GLN A 70 -2.445 12.881 -6.362 1.00 0.00 H ATOM 1121 HG3 GLN A 70 -0.818 13.117 -7.043 1.00 0.00 H ATOM 1122 HE22 GLN A 70 -1.932 13.019 -9.160 1.00 0.00 H ATOM 1123 HE21 GLN A 70 -2.244 11.389 -9.861 1.00 0.00 H ATOM 1124 H GLN A 70 0.122 9.801 -7.219 1.00 0.00 H ATOM 1125 N LEU A 71 1.268 9.342 -4.401 1.00 25.88 N ATOM 1126 CA LEU A 71 1.796 8.573 -3.265 1.00 25.08 C ATOM 1127 C LEU A 71 3.135 7.985 -3.674 1.00 24.16 C ATOM 1128 O LEU A 71 3.197 7.083 -4.514 1.00 26.99 O ATOM 1129 CB LEU A 71 0.843 7.441 -2.937 1.00 24.57 C ATOM 1130 CG LEU A 71 1.067 6.712 -1.612 1.00 24.31 C ATOM 1131 CD1 LEU A 71 0.552 7.584 -0.511 1.00 23.18 C ATOM 1132 CD2 LEU A 71 0.360 5.360 -1.525 1.00 26.27 C ATOM 1133 HA LEU A 71 1.908 9.218 -2.393 1.00 0.00 H ATOM 1134 HB2 LEU A 71 -0.166 7.854 -2.920 1.00 0.00 H ATOM 1135 HB3 LEU A 71 0.919 6.704 -3.736 1.00 0.00 H ATOM 1136 HG LEU A 71 2.136 6.516 -1.529 1.00 0.00 H ATOM 1137 HD21 LEU A 71 -0.714 5.505 -1.638 1.00 0.00 H ATOM 1138 HD22 LEU A 71 0.725 4.709 -2.319 1.00 0.00 H ATOM 1139 HD23 LEU A 71 0.567 4.905 -0.556 1.00 0.00 H ATOM 1140 HD11 LEU A 71 1.092 8.531 -0.516 1.00 0.00 H ATOM 1141 HD12 LEU A 71 -0.511 7.770 -0.664 1.00 0.00 H ATOM 1142 HD13 LEU A 71 0.701 7.084 0.446 1.00 0.00 H ATOM 1143 H LEU A 71 1.023 8.822 -5.268 1.00 0.00 H ATOM 1144 N SER A 72 4.225 8.488 -3.089 1.00 21.53 N ATOM 1145 CA SER A 72 5.571 8.080 -3.479 1.00 24.33 C ATOM 1146 C SER A 72 6.524 8.234 -2.291 1.00 22.43 C ATOM 1147 O SER A 72 6.116 8.761 -1.254 1.00 20.07 O ATOM 1148 CB SER A 72 6.070 8.914 -4.680 1.00 24.63 C ATOM 1149 OG SER A 72 6.295 10.250 -4.305 1.00 28.42 O ATOM 1150 HA SER A 72 5.544 7.033 -3.782 1.00 0.00 H ATOM 1151 HB2 SER A 72 5.320 8.886 -5.470 1.00 0.00 H ATOM 1152 HB3 SER A 72 7.001 8.485 -5.050 1.00 0.00 H ATOM 1153 HG SER A 72 5.450 10.645 -3.972 1.00 0.00 H ATOM 1154 H SER A 72 4.111 9.192 -2.332 1.00 0.00 H ATOM 1155 N SER A 73 7.776 7.783 -2.445 1.00 18.54 N ATOM 1156 CA SER A 73 8.760 7.865 -1.362 1.00 18.16 C ATOM 1157 C SER A 73 8.859 9.282 -0.834 1.00 18.86 C ATOM 1158 O SER A 73 8.992 10.228 -1.626 1.00 17.04 O ATOM 1159 CB SER A 73 10.145 7.413 -1.846 1.00 19.36 C ATOM 1160 OG SER A 73 10.123 6.080 -2.341 1.00 24.94 O ATOM 1161 HA SER A 73 8.425 7.203 -0.563 1.00 0.00 H ATOM 1162 HB2 SER A 73 10.846 7.469 -1.013 1.00 0.00 H ATOM 1163 HB3 SER A 73 10.476 8.080 -2.642 1.00 0.00 H ATOM 1164 HG SER A 73 9.493 6.022 -3.103 1.00 0.00 H ATOM 1165 H SER A 73 8.056 7.365 -3.355 1.00 0.00 H ATOM 1166 N ASN A 74 8.780 9.408 0.487 1.00 16.16 N ATOM 1167 CA ASN A 74 8.934 10.638 1.255 1.00 16.60 C ATOM 1168 C ASN A 74 7.623 11.313 1.556 1.00 15.83 C ATOM 1169 O ASN A 74 7.580 12.195 2.429 1.00 14.93 O ATOM 1170 CB ASN A 74 9.891 11.656 0.616 1.00 19.54 C ATOM 1171 CG ASN A 74 11.306 11.141 0.550 1.00 18.57 C ATOM 1172 OD1 ASN A 74 11.729 10.394 1.434 1.00 19.52 O ATOM 1173 ND2 ASN A 74 12.023 11.467 -0.547 1.00 22.38 N ATOM 1174 HA ASN A 74 9.380 10.301 2.191 1.00 0.00 H ATOM 1175 HB2 ASN A 74 9.548 11.874 -0.396 1.00 0.00 H ATOM 1176 HB3 ASN A 74 9.877 12.571 1.208 1.00 0.00 H ATOM 1177 HD22 ASN A 74 11.617 12.103 -1.263 1.00 0.00 H ATOM 1178 HD21 ASN A 74 12.981 11.082 -0.676 1.00 0.00 H ATOM 1179 H ASN A 74 8.589 8.541 1.028 1.00 0.00 H ATOM 1180 N CYS A 75 6.540 10.948 0.865 1.00 14.07 N ATOM 1181 CA CYS A 75 5.295 11.612 1.235 1.00 14.63 C ATOM 1182 C CYS A 75 4.832 11.217 2.658 1.00 13.99 C ATOM 1183 O CYS A 75 5.196 10.174 3.206 1.00 13.30 O ATOM 1184 CB CYS A 75 4.196 11.405 0.199 1.00 15.82 C ATOM 1185 SG CYS A 75 3.385 9.813 0.362 1.00 17.89 S ATOM 1186 HA CYS A 75 5.506 12.681 1.252 1.00 0.00 H ATOM 1187 HB2 CYS A 75 4.636 11.473 -0.796 1.00 0.00 H ATOM 1188 HB3 CYS A 75 3.450 12.191 0.319 1.00 0.00 H ATOM 1189 HG CYS A 75 4.315 8.806 0.201 1.00 0.00 H ATOM 1190 H CYS A 75 6.582 10.234 0.110 1.00 0.00 H ATOM 1191 N VAL A 76 4.062 12.125 3.262 1.00 12.27 N ATOM 1192 CA VAL A 76 3.545 11.910 4.598 1.00 11.64 C ATOM 1193 C VAL A 76 2.047 11.733 4.451 1.00 12.97 C ATOM 1194 O VAL A 76 1.390 12.558 3.788 1.00 13.72 O ATOM 1195 CB VAL A 76 3.877 13.122 5.453 1.00 13.53 C ATOM 1196 CG1 VAL A 76 3.143 13.075 6.759 1.00 11.49 C ATOM 1197 CG2 VAL A 76 5.404 13.133 5.713 1.00 12.11 C ATOM 1198 HA VAL A 76 3.981 11.035 5.080 1.00 0.00 H ATOM 1199 HB VAL A 76 3.571 14.027 4.928 1.00 0.00 H ATOM 1200 HG11 VAL A 76 2.069 13.063 6.571 1.00 0.00 H ATOM 1201 HG12 VAL A 76 3.428 12.174 7.302 1.00 0.00 H ATOM 1202 HG13 VAL A 76 3.399 13.954 7.350 1.00 0.00 H ATOM 1203 HG21 VAL A 76 5.689 12.219 6.234 1.00 0.00 H ATOM 1204 HG22 VAL A 76 5.933 13.191 4.762 1.00 0.00 H ATOM 1205 HG23 VAL A 76 5.661 13.997 6.326 1.00 0.00 H ATOM 1206 H VAL A 76 3.828 13.006 2.762 1.00 0.00 H ATOM 1207 N CYS A 77 1.521 10.637 4.995 1.00 16.94 N ATOM 1208 CA CYS A 77 0.094 10.382 4.832 1.00 17.71 C ATOM 1209 C CYS A 77 -0.568 10.037 6.148 1.00 16.24 C ATOM 1210 O CYS A 77 0.073 9.577 7.079 1.00 15.43 O ATOM 1211 CB CYS A 77 -0.148 9.266 3.816 1.00 18.31 C ATOM 1212 SG CYS A 77 0.731 7.760 4.197 1.00 17.28 S ATOM 1213 HA CYS A 77 -0.355 11.303 4.460 1.00 0.00 H ATOM 1214 HB2 CYS A 77 0.173 9.616 2.835 1.00 0.00 H ATOM 1215 HB3 CYS A 77 -1.215 9.047 3.790 1.00 0.00 H ATOM 1216 HG CYS A 77 0.456 6.812 3.233 1.00 0.00 H ATOM 1217 H CYS A 77 2.118 9.973 5.528 1.00 0.00 H ATOM 1218 N GLN A 78 -1.861 10.276 6.221 1.00 15.35 N ATOM 1219 CA GLN A 78 -2.589 9.859 7.427 1.00 14.15 C ATOM 1220 C GLN A 78 -3.381 8.600 7.043 1.00 15.17 C ATOM 1221 O GLN A 78 -4.102 8.590 6.033 1.00 15.50 O ATOM 1222 CB GLN A 78 -3.506 10.982 7.896 1.00 15.72 C ATOM 1223 CG GLN A 78 -4.433 10.567 9.037 1.00 15.15 C ATOM 1224 CD GLN A 78 -4.886 11.747 9.813 1.00 16.67 C ATOM 1225 OE1 GLN A 78 -5.086 12.835 9.226 1.00 19.69 O ATOM 1226 NE2 GLN A 78 -5.045 11.594 11.140 1.00 16.57 N ATOM 1227 HA GLN A 78 -1.914 9.641 8.255 1.00 0.00 H ATOM 1228 HB2 GLN A 78 -2.889 11.814 8.236 1.00 0.00 H ATOM 1229 HB3 GLN A 78 -4.117 11.305 7.053 1.00 0.00 H ATOM 1230 HG2 GLN A 78 -5.303 10.058 8.622 1.00 0.00 H ATOM 1231 HG3 GLN A 78 -3.899 9.888 9.701 1.00 0.00 H ATOM 1232 HE22 GLN A 78 -4.867 10.670 11.582 1.00 0.00 H ATOM 1233 HE21 GLN A 78 -5.346 12.400 11.724 1.00 0.00 H ATOM 1234 H GLN A 78 -2.357 10.751 5.440 1.00 0.00 H ATOM 1235 N ILE A 79 -3.285 7.549 7.858 1.00 13.79 N ATOM 1236 CA ILE A 79 -4.036 6.332 7.530 1.00 15.11 C ATOM 1237 C ILE A 79 -5.399 6.416 8.214 1.00 15.62 C ATOM 1238 O ILE A 79 -5.479 6.608 9.431 1.00 16.30 O ATOM 1239 CB ILE A 79 -3.305 5.084 8.054 1.00 13.95 C ATOM 1240 CG1 ILE A 79 -1.875 5.009 7.545 1.00 12.95 C ATOM 1241 CG2 ILE A 79 -4.085 3.792 7.683 1.00 15.97 C ATOM 1242 CD1 ILE A 79 -1.698 5.418 6.073 1.00 16.13 C ATOM 1243 HA ILE A 79 -4.137 6.254 6.448 1.00 0.00 H ATOM 1244 HB ILE A 79 -3.262 5.166 9.140 1.00 0.00 H ATOM 1245 HG12 ILE A 79 -1.260 5.668 8.158 1.00 0.00 H ATOM 1246 HG13 ILE A 79 -1.527 3.982 7.657 1.00 0.00 H ATOM 1247 HD11 ILE A 79 -2.295 4.761 5.440 1.00 0.00 H ATOM 1248 HD12 ILE A 79 -2.028 6.449 5.941 1.00 0.00 H ATOM 1249 HD13 ILE A 79 -0.647 5.334 5.798 1.00 0.00 H ATOM 1250 HG21 ILE A 79 -5.080 3.830 8.127 1.00 0.00 H ATOM 1251 HG22 ILE A 79 -4.172 3.720 6.599 1.00 0.00 H ATOM 1252 HG23 ILE A 79 -3.548 2.923 8.064 1.00 0.00 H ATOM 1253 H ILE A 79 -2.689 7.591 8.710 1.00 0.00 H ATOM 1254 N HIS A 80 -6.469 6.292 7.438 1.00 15.26 N ATOM 1255 CA HIS A 80 -7.827 6.450 7.953 1.00 19.93 C ATOM 1256 C HIS A 80 -8.549 5.144 8.163 1.00 19.99 C ATOM 1257 O HIS A 80 -9.493 5.075 8.947 1.00 20.22 O ATOM 1258 CB HIS A 80 -8.627 7.336 7.009 1.00 18.38 C ATOM 1259 CG HIS A 80 -8.224 8.773 7.094 1.00 20.51 C ATOM 1260 ND1 HIS A 80 -8.684 9.616 8.074 1.00 22.20 N ATOM 1261 CD2 HIS A 80 -7.348 9.495 6.350 1.00 18.08 C ATOM 1262 CE1 HIS A 80 -8.139 10.814 7.919 1.00 21.17 C ATOM 1263 NE2 HIS A 80 -7.310 10.754 6.891 1.00 21.07 N ATOM 1264 HA HIS A 80 -7.738 6.913 8.936 1.00 0.00 H ATOM 1265 HB2 HIS A 80 -8.472 6.989 5.987 1.00 0.00 H ATOM 1266 HB3 HIS A 80 -9.684 7.253 7.263 1.00 0.00 H ATOM 1267 HD2 HIS A 80 -6.783 9.141 5.488 1.00 0.00 H ATOM 1268 HE1 HIS A 80 -8.339 11.694 8.531 1.00 0.00 H ATOM 1269 H HIS A 80 -6.336 6.075 6.430 1.00 0.00 H ATOM 1270 N ARG A 81 -8.128 4.111 7.461 1.00 19.08 N ATOM 1271 CA ARG A 81 -8.697 2.800 7.677 1.00 18.34 C ATOM 1272 C ARG A 81 -7.665 1.770 7.306 1.00 18.53 C ATOM 1273 O ARG A 81 -7.092 1.836 6.240 1.00 19.28 O ATOM 1274 CB ARG A 81 -9.925 2.553 6.823 1.00 20.83 C ATOM 1275 CG ARG A 81 -10.613 1.226 7.219 1.00 23.43 C ATOM 1276 CD ARG A 81 -12.099 1.221 6.901 1.00 26.14 C ATOM 1277 NE ARG A 81 -12.358 1.540 5.494 1.00 33.19 N ATOM 1278 CZ ARG A 81 -12.636 0.621 4.564 1.00 33.46 C ATOM 1279 NH1 ARG A 81 -12.679 -0.678 4.901 1.00 32.33 N ATOM 1280 NH2 ARG A 81 -12.852 0.996 3.298 1.00 31.22 N ATOM 1281 HA ARG A 81 -8.991 2.735 8.724 1.00 0.00 H ATOM 1282 HB2 ARG A 81 -10.628 3.375 6.961 1.00 0.00 H ATOM 1283 HB3 ARG A 81 -9.628 2.503 5.776 1.00 0.00 H ATOM 1284 HG2 ARG A 81 -10.137 0.410 6.676 1.00 0.00 H ATOM 1285 HG3 ARG A 81 -10.484 1.072 8.290 1.00 0.00 H ATOM 1286 HD2 ARG A 81 -12.596 1.961 7.528 1.00 0.00 H ATOM 1287 HD3 ARG A 81 -12.503 0.232 7.119 1.00 0.00 H ATOM 1288 HE ARG A 81 -12.324 2.538 5.203 1.00 0.00 H ATOM 1289 HH12 ARG A 81 -12.895 -1.395 4.180 1.00 0.00 H ATOM 1290 HH11 ARG A 81 -12.496 -0.967 5.883 1.00 0.00 H ATOM 1291 HH22 ARG A 81 -13.068 0.282 2.574 1.00 0.00 H ATOM 1292 HH21 ARG A 81 -12.804 2.002 3.038 1.00 0.00 H ATOM 1293 H ARG A 81 -7.382 4.240 6.748 1.00 0.00 H ATOM 1294 N PHE A 82 -7.452 0.796 8.186 1.00 15.56 N ATOM 1295 CA PHE A 82 -6.508 -0.285 7.880 1.00 17.12 C ATOM 1296 C PHE A 82 -6.972 -1.519 8.587 1.00 17.11 C ATOM 1297 O PHE A 82 -7.799 -1.450 9.518 1.00 16.45 O ATOM 1298 CB PHE A 82 -5.059 0.048 8.301 1.00 15.25 C ATOM 1299 CG PHE A 82 -4.870 0.234 9.776 1.00 16.26 C ATOM 1300 CD1 PHE A 82 -4.416 -0.820 10.582 1.00 16.53 C ATOM 1301 CD2 PHE A 82 -5.163 1.447 10.375 1.00 15.63 C ATOM 1302 CE1 PHE A 82 -4.224 -0.635 11.965 1.00 17.06 C ATOM 1303 CE2 PHE A 82 -4.974 1.636 11.737 1.00 16.14 C ATOM 1304 CZ PHE A 82 -4.526 0.595 12.532 1.00 17.10 C ATOM 1305 HA PHE A 82 -6.490 -0.429 6.800 1.00 0.00 H ATOM 1306 HB2 PHE A 82 -4.413 -0.767 7.974 1.00 0.00 H ATOM 1307 HB3 PHE A 82 -4.761 0.969 7.800 1.00 0.00 H ATOM 1308 HD2 PHE A 82 -5.548 2.266 9.768 1.00 0.00 H ATOM 1309 HE2 PHE A 82 -5.179 2.609 12.183 1.00 0.00 H ATOM 1310 HZ PHE A 82 -4.410 0.742 13.606 1.00 0.00 H ATOM 1311 HE1 PHE A 82 -3.843 -1.448 12.583 1.00 0.00 H ATOM 1312 HD1 PHE A 82 -4.210 -1.792 10.134 1.00 0.00 H ATOM 1313 H PHE A 82 -7.957 0.800 9.095 1.00 0.00 H ATOM 1314 N ILE A 83 -6.510 -2.666 8.108 1.00 19.97 N ATOM 1315 CA ILE A 83 -6.775 -3.875 8.869 1.00 21.78 C ATOM 1316 C ILE A 83 -5.486 -4.663 8.992 1.00 21.60 C ATOM 1317 O ILE A 83 -4.620 -4.599 8.143 1.00 23.55 O ATOM 1318 CB ILE A 83 -7.849 -4.758 8.220 1.00 25.75 C ATOM 1319 CG1 ILE A 83 -7.407 -5.126 6.828 1.00 25.16 C ATOM 1320 CG2 ILE A 83 -9.233 -4.071 8.207 1.00 21.89 C ATOM 1321 CD1 ILE A 83 -8.057 -6.454 6.359 1.00 29.80 C ATOM 1322 HA ILE A 83 -7.151 -3.577 9.848 1.00 0.00 H ATOM 1323 HB ILE A 83 -7.963 -5.664 8.815 1.00 0.00 H ATOM 1324 HG12 ILE A 83 -7.694 -4.329 6.142 1.00 0.00 H ATOM 1325 HG13 ILE A 83 -6.323 -5.239 6.818 1.00 0.00 H ATOM 1326 HD11 ILE A 83 -7.769 -7.257 7.037 1.00 0.00 H ATOM 1327 HD12 ILE A 83 -9.142 -6.347 6.361 1.00 0.00 H ATOM 1328 HD13 ILE A 83 -7.715 -6.688 5.351 1.00 0.00 H ATOM 1329 HG21 ILE A 83 -9.540 -3.857 9.231 1.00 0.00 H ATOM 1330 HG22 ILE A 83 -9.170 -3.140 7.643 1.00 0.00 H ATOM 1331 HG23 ILE A 83 -9.961 -4.733 7.738 1.00 0.00 H ATOM 1332 H ILE A 83 -5.975 -2.699 7.217 1.00 0.00 H ATOM 1333 N VAL A 84 -5.370 -5.425 10.067 1.00 17.29 N ATOM 1334 CA VAL A 84 -4.176 -6.243 10.265 1.00 18.94 C ATOM 1335 C VAL A 84 -4.583 -7.672 10.035 1.00 21.20 C ATOM 1336 O VAL A 84 -5.638 -8.095 10.503 1.00 23.98 O ATOM 1337 CB VAL A 84 -3.641 -6.141 11.718 1.00 19.08 C ATOM 1338 CG1 VAL A 84 -2.603 -7.226 12.005 1.00 19.16 C ATOM 1339 CG2 VAL A 84 -3.037 -4.814 11.920 1.00 16.55 C ATOM 1340 HA VAL A 84 -3.396 -5.902 9.585 1.00 0.00 H ATOM 1341 HB VAL A 84 -4.476 -6.282 12.404 1.00 0.00 H ATOM 1342 HG11 VAL A 84 -3.058 -8.207 11.870 1.00 0.00 H ATOM 1343 HG12 VAL A 84 -1.764 -7.116 11.317 1.00 0.00 H ATOM 1344 HG13 VAL A 84 -2.249 -7.126 13.031 1.00 0.00 H ATOM 1345 HG21 VAL A 84 -2.215 -4.679 11.217 1.00 0.00 H ATOM 1346 HG22 VAL A 84 -3.790 -4.044 11.752 1.00 0.00 H ATOM 1347 HG23 VAL A 84 -2.660 -4.739 12.940 1.00 0.00 H ATOM 1348 H VAL A 84 -6.132 -5.442 10.774 1.00 0.00 H ATOM 1349 N ASN A 85 -3.772 -8.394 9.256 1.00 16.85 N ATOM 1350 CA ASN A 85 -3.969 -9.836 9.076 1.00 19.39 C ATOM 1351 C ASN A 85 -2.723 -10.602 9.429 1.00 19.37 C ATOM 1352 O ASN A 85 -1.632 -10.135 9.240 1.00 18.39 O ATOM 1353 CB ASN A 85 -4.337 -10.127 7.639 1.00 20.55 C ATOM 1354 CG ASN A 85 -5.800 -9.896 7.376 1.00 26.44 C ATOM 1355 OD1 ASN A 85 -6.661 -10.512 8.028 1.00 25.45 O ATOM 1356 ND2 ASN A 85 -6.106 -8.976 6.459 1.00 26.47 N ATOM 1357 HA ASN A 85 -4.774 -10.151 9.740 1.00 0.00 H ATOM 1358 HB2 ASN A 85 -3.755 -9.476 6.987 1.00 0.00 H ATOM 1359 HB3 ASN A 85 -4.099 -11.167 7.418 1.00 0.00 H ATOM 1360 HD22 ASN A 85 -5.349 -8.488 5.939 1.00 0.00 H ATOM 1361 HD21 ASN A 85 -7.102 -8.747 6.264 1.00 0.00 H ATOM 1362 H ASN A 85 -2.984 -7.923 8.767 1.00 0.00 H ATOM 1363 N THR A 86 -2.890 -11.764 10.014 1.00 17.71 N ATOM 1364 CA THR A 86 -1.754 -12.537 10.466 1.00 18.12 C ATOM 1365 C THR A 86 -1.672 -13.776 9.611 1.00 18.96 C ATOM 1366 O THR A 86 -2.664 -14.501 9.435 1.00 19.66 O ATOM 1367 CB THR A 86 -2.006 -12.946 11.950 1.00 18.64 C ATOM 1368 OG1 THR A 86 -2.149 -11.730 12.713 1.00 17.92 O ATOM 1369 CG2 THR A 86 -0.839 -13.736 12.480 1.00 19.22 C ATOM 1370 HA THR A 86 -0.828 -11.967 10.392 1.00 0.00 H ATOM 1371 HB THR A 86 -2.900 -13.565 12.025 1.00 0.00 H ATOM 1372 HG1 THR A 86 -2.311 -11.955 13.663 1.00 0.00 H ATOM 1373 HG23 THR A 86 -0.732 -14.655 11.903 1.00 0.00 H ATOM 1374 HG21 THR A 86 0.070 -13.142 12.392 1.00 0.00 H ATOM 1375 HG22 THR A 86 -1.014 -13.982 13.527 1.00 0.00 H ATOM 1376 H THR A 86 -3.852 -12.134 10.155 1.00 0.00 H ATOM 1377 N LEU A 87 -0.476 -14.064 9.114 1.00 21.08 N ATOM 1378 CA LEU A 87 -0.252 -15.231 8.260 1.00 22.04 C ATOM 1379 C LEU A 87 -0.107 -16.495 9.073 1.00 24.27 C ATOM 1380 O LEU A 87 0.070 -16.443 10.277 1.00 21.09 O ATOM 1381 CB LEU A 87 1.046 -15.054 7.469 1.00 22.38 C ATOM 1382 CG LEU A 87 1.046 -14.144 6.212 1.00 23.14 C ATOM 1383 CD1 LEU A 87 -0.078 -13.167 6.185 1.00 21.29 C ATOM 1384 CD2 LEU A 87 2.403 -13.473 6.004 1.00 22.04 C ATOM 1385 HA LEU A 87 -1.115 -15.314 7.600 1.00 0.00 H ATOM 1386 HB2 LEU A 87 1.786 -14.647 8.158 1.00 0.00 H ATOM 1387 HB3 LEU A 87 1.360 -16.046 7.145 1.00 0.00 H ATOM 1388 HG LEU A 87 0.873 -14.804 5.362 1.00 0.00 H ATOM 1389 HD21 LEU A 87 2.641 -12.860 6.873 1.00 0.00 H ATOM 1390 HD22 LEU A 87 3.169 -14.238 5.876 1.00 0.00 H ATOM 1391 HD23 LEU A 87 2.363 -12.844 5.115 1.00 0.00 H ATOM 1392 HD11 LEU A 87 -1.026 -13.705 6.199 1.00 0.00 H ATOM 1393 HD12 LEU A 87 -0.015 -12.518 7.058 1.00 0.00 H ATOM 1394 HD13 LEU A 87 -0.013 -12.566 5.278 1.00 0.00 H ATOM 1395 H LEU A 87 0.326 -13.442 9.338 1.00 0.00 H ATOM 1396 N LYS A 88 -0.153 -17.648 8.413 1.00 23.31 N ATOM 1397 CA LYS A 88 -0.025 -18.909 9.143 1.00 23.51 C ATOM 1398 C LYS A 88 1.243 -19.004 9.939 1.00 23.45 C ATOM 1399 O LYS A 88 1.287 -19.693 10.975 1.00 24.26 O ATOM 1400 CB LYS A 88 0.058 -20.091 8.202 1.00 26.31 C ATOM 1401 CG LYS A 88 -1.032 -20.267 7.251 1.00 26.46 C ATOM 1402 CD LYS A 88 -0.613 -21.489 6.389 1.00 33.77 C ATOM 1403 CE LYS A 88 -1.551 -21.748 5.217 1.00 32.96 C ATOM 1404 NZ LYS A 88 -1.590 -20.557 4.323 1.00 37.78 N ATOM 1405 HA LYS A 88 -0.907 -18.928 9.784 1.00 0.00 H ATOM 1406 HB2 LYS A 88 0.980 -19.989 7.629 1.00 0.00 H ATOM 1407 HB3 LYS A 88 0.109 -20.993 8.812 1.00 0.00 H ATOM 1408 HG2 LYS A 88 -1.968 -20.467 7.772 1.00 0.00 H ATOM 1409 HG3 LYS A 88 -1.147 -19.379 6.629 1.00 0.00 H ATOM 1410 HD2 LYS A 88 0.389 -21.310 5.998 1.00 0.00 H ATOM 1411 HD3 LYS A 88 -0.601 -22.374 7.025 1.00 0.00 H ATOM 1412 HE2 LYS A 88 -2.554 -21.950 5.594 1.00 0.00 H ATOM 1413 HE3 LYS A 88 -1.196 -22.611 4.654 1.00 0.00 H ATOM 1414 HZ1 LYS A 88 -1.931 -19.734 4.859 1.00 0.00 H ATOM 1415 HZ2 LYS A 88 -0.634 -20.365 3.961 1.00 0.00 H ATOM 1416 HZ3 LYS A 88 -2.232 -20.744 3.527 1.00 0.00 H ATOM 1417 H LYS A 88 -0.280 -17.653 7.381 1.00 0.00 H ATOM 1418 N ASP A 89 2.292 -18.381 9.433 1.00 27.12 N ATOM 1419 CA ASP A 89 3.592 -18.509 10.070 1.00 29.27 C ATOM 1420 C ASP A 89 3.795 -17.516 11.212 1.00 27.20 C ATOM 1421 O ASP A 89 4.836 -17.545 11.865 1.00 27.96 O ATOM 1422 CB ASP A 89 4.740 -18.424 9.044 1.00 30.45 C ATOM 1423 CG ASP A 89 4.864 -17.053 8.378 1.00 32.76 C ATOM 1424 OD1 ASP A 89 4.150 -16.084 8.723 1.00 30.23 O ATOM 1425 OD2 ASP A 89 5.727 -16.922 7.472 1.00 36.67 O ATOM 1426 HA ASP A 89 3.613 -19.503 10.516 1.00 0.00 H ATOM 1427 HB2 ASP A 89 5.677 -18.645 9.555 1.00 0.00 H ATOM 1428 HB3 ASP A 89 4.566 -19.170 8.269 1.00 0.00 H ATOM 1429 H ASP A 89 2.188 -17.798 8.578 1.00 0.00 H ATOM 1430 N GLY A 90 2.802 -16.651 11.441 1.00 21.57 N ATOM 1431 CA GLY A 90 2.839 -15.710 12.550 1.00 20.96 C ATOM 1432 C GLY A 90 3.194 -14.292 12.179 1.00 20.25 C ATOM 1433 O GLY A 90 3.021 -13.332 12.982 1.00 19.16 O ATOM 1434 HA3 GLY A 90 3.577 -16.065 13.269 1.00 0.00 H ATOM 1435 HA2 GLY A 90 1.854 -15.700 13.017 1.00 0.00 H ATOM 1436 H GLY A 90 1.978 -16.651 10.807 1.00 0.00 H ATOM 1437 N ARG A 91 3.645 -14.077 10.941 1.00 22.04 N ATOM 1438 CA ARG A 91 3.916 -12.714 10.501 1.00 23.27 C ATOM 1439 C ARG A 91 2.637 -11.908 10.296 1.00 20.81 C ATOM 1440 O ARG A 91 1.589 -12.454 9.948 1.00 21.72 O ATOM 1441 CB ARG A 91 4.698 -12.720 9.180 1.00 24.26 C ATOM 1442 CG ARG A 91 6.195 -13.047 9.325 1.00 28.72 C ATOM 1443 CD ARG A 91 6.834 -13.069 7.940 1.00 37.44 C ATOM 1444 NE ARG A 91 6.146 -14.067 7.132 1.00 36.23 N ATOM 1445 CZ ARG A 91 6.372 -14.314 5.844 1.00 39.83 C ATOM 1446 NH1 ARG A 91 7.279 -13.606 5.170 1.00 44.33 N ATOM 1447 NH2 ARG A 91 5.676 -15.273 5.229 1.00 36.50 N ATOM 1448 HA ARG A 91 4.503 -12.246 11.291 1.00 0.00 H ATOM 1449 HB2 ARG A 91 4.249 -13.464 8.522 1.00 0.00 H ATOM 1450 HB3 ARG A 91 4.607 -11.733 8.726 1.00 0.00 H ATOM 1451 HG2 ARG A 91 6.678 -12.287 9.939 1.00 0.00 H ATOM 1452 HG3 ARG A 91 6.312 -14.022 9.798 1.00 0.00 H ATOM 1453 HD2 ARG A 91 7.889 -13.328 8.025 1.00 0.00 H ATOM 1454 HD3 ARG A 91 6.738 -12.088 7.474 1.00 0.00 H ATOM 1455 HE ARG A 91 5.414 -14.636 7.603 1.00 0.00 H ATOM 1456 HH12 ARG A 91 7.451 -13.804 4.164 1.00 0.00 H ATOM 1457 HH11 ARG A 91 7.815 -12.855 5.651 1.00 0.00 H ATOM 1458 HH22 ARG A 91 5.845 -15.474 4.223 1.00 0.00 H ATOM 1459 HH21 ARG A 91 4.965 -15.819 5.756 1.00 0.00 H ATOM 1460 H ARG A 91 3.802 -14.877 10.295 1.00 0.00 H ATOM 1461 N ARG A 92 2.714 -10.607 10.505 1.00 20.53 N ATOM 1462 CA ARG A 92 1.526 -9.786 10.312 1.00 19.87 C ATOM 1463 C ARG A 92 1.700 -8.824 9.184 1.00 20.22 C ATOM 1464 O ARG A 92 2.795 -8.306 8.957 1.00 20.68 O ATOM 1465 CB ARG A 92 1.165 -9.043 11.583 1.00 18.93 C ATOM 1466 CG ARG A 92 0.629 -10.025 12.621 1.00 22.54 C ATOM 1467 CD ARG A 92 0.216 -9.336 13.885 1.00 22.95 C ATOM 1468 NE ARG A 92 -0.640 -10.212 14.702 1.00 27.93 N ATOM 1469 CZ ARG A 92 -0.753 -10.100 16.023 1.00 26.49 C ATOM 1470 NH1 ARG A 92 -0.026 -9.166 16.653 1.00 26.49 N ATOM 1471 NH2 ARG A 92 -1.568 -10.908 16.705 1.00 23.29 N ATOM 1472 HA ARG A 92 0.708 -10.460 10.058 1.00 0.00 H ATOM 1473 HB2 ARG A 92 2.052 -8.547 11.977 1.00 0.00 H ATOM 1474 HB3 ARG A 92 0.402 -8.297 11.362 1.00 0.00 H ATOM 1475 HG2 ARG A 92 -0.235 -10.542 12.203 1.00 0.00 H ATOM 1476 HG3 ARG A 92 1.408 -10.751 12.854 1.00 0.00 H ATOM 1477 HD2 ARG A 92 -0.335 -8.430 13.635 1.00 0.00 H ATOM 1478 HD3 ARG A 92 1.106 -9.072 14.456 1.00 0.00 H ATOM 1479 HE ARG A 92 -1.184 -10.957 14.222 1.00 0.00 H ATOM 1480 HH12 ARG A 92 -0.098 -9.060 17.685 1.00 0.00 H ATOM 1481 HH11 ARG A 92 0.610 -8.548 16.110 1.00 0.00 H ATOM 1482 HH22 ARG A 92 -1.650 -10.813 17.737 1.00 0.00 H ATOM 1483 HH21 ARG A 92 -2.121 -11.632 16.204 1.00 0.00 H ATOM 1484 H ARG A 92 3.611 -10.174 10.804 1.00 0.00 H ATOM 1485 N VAL A 93 0.598 -8.607 8.488 1.00 18.44 N ATOM 1486 CA VAL A 93 0.571 -7.723 7.344 1.00 18.23 C ATOM 1487 C VAL A 93 -0.493 -6.652 7.621 1.00 19.44 C ATOM 1488 O VAL A 93 -1.563 -6.923 8.157 1.00 18.09 O ATOM 1489 CB VAL A 93 0.228 -8.502 6.081 1.00 21.32 C ATOM 1490 CG1 VAL A 93 0.219 -7.563 4.906 1.00 22.09 C ATOM 1491 CG2 VAL A 93 1.279 -9.583 5.833 1.00 23.83 C ATOM 1492 HA VAL A 93 1.547 -7.262 7.190 1.00 0.00 H ATOM 1493 HB VAL A 93 -0.751 -8.964 6.204 1.00 0.00 H ATOM 1494 HG11 VAL A 93 -0.527 -6.785 5.070 1.00 0.00 H ATOM 1495 HG12 VAL A 93 1.203 -7.108 4.799 1.00 0.00 H ATOM 1496 HG13 VAL A 93 -0.026 -8.118 4.001 1.00 0.00 H ATOM 1497 HG21 VAL A 93 2.257 -9.117 5.713 1.00 0.00 H ATOM 1498 HG22 VAL A 93 1.303 -10.267 6.682 1.00 0.00 H ATOM 1499 HG23 VAL A 93 1.025 -10.134 4.928 1.00 0.00 H ATOM 1500 H VAL A 93 -0.279 -9.088 8.772 1.00 0.00 H ATOM 1501 N VAL A 94 -0.206 -5.415 7.261 1.00 17.50 N ATOM 1502 CA VAL A 94 -1.173 -4.362 7.502 1.00 17.03 C ATOM 1503 C VAL A 94 -1.681 -3.884 6.162 1.00 17.68 C ATOM 1504 O VAL A 94 -0.880 -3.440 5.359 1.00 17.09 O ATOM 1505 CB VAL A 94 -0.474 -3.199 8.180 1.00 17.63 C ATOM 1506 CG1 VAL A 94 -1.457 -2.044 8.444 1.00 14.29 C ATOM 1507 CG2 VAL A 94 0.182 -3.656 9.473 1.00 17.50 C ATOM 1508 HA VAL A 94 -1.988 -4.729 8.126 1.00 0.00 H ATOM 1509 HB VAL A 94 0.303 -2.830 7.511 1.00 0.00 H ATOM 1510 HG11 VAL A 94 -1.873 -1.699 7.497 1.00 0.00 H ATOM 1511 HG12 VAL A 94 -2.262 -2.394 9.090 1.00 0.00 H ATOM 1512 HG13 VAL A 94 -0.929 -1.224 8.931 1.00 0.00 H ATOM 1513 HG21 VAL A 94 -0.579 -4.054 10.144 1.00 0.00 H ATOM 1514 HG22 VAL A 94 0.915 -4.432 9.253 1.00 0.00 H ATOM 1515 HG23 VAL A 94 0.679 -2.809 9.946 1.00 0.00 H ATOM 1516 H VAL A 94 0.705 -5.198 6.809 1.00 0.00 H ATOM 1517 N ILE A 95 -2.990 -3.962 5.912 1.00 16.50 N ATOM 1518 CA ILE A 95 -3.549 -3.546 4.626 1.00 16.44 C ATOM 1519 C ILE A 95 -4.126 -2.148 4.789 1.00 15.81 C ATOM 1520 O ILE A 95 -5.020 -1.935 5.599 1.00 15.95 O ATOM 1521 CB ILE A 95 -4.712 -4.436 4.172 1.00 18.30 C ATOM 1522 CG1 ILE A 95 -4.359 -5.923 4.253 1.00 20.21 C ATOM 1523 CG2 ILE A 95 -5.156 -3.997 2.765 1.00 18.42 C ATOM 1524 CD1 ILE A 95 -3.159 -6.308 3.465 1.00 23.09 C ATOM 1525 HA ILE A 95 -2.745 -3.604 3.892 1.00 0.00 H ATOM 1526 HB ILE A 95 -5.555 -4.309 4.851 1.00 0.00 H ATOM 1527 HG12 ILE A 95 -4.178 -6.175 5.298 1.00 0.00 H ATOM 1528 HG13 ILE A 95 -5.209 -6.497 3.884 1.00 0.00 H ATOM 1529 HD11 ILE A 95 -3.326 -6.075 2.413 1.00 0.00 H ATOM 1530 HD12 ILE A 95 -2.294 -5.753 3.828 1.00 0.00 H ATOM 1531 HD13 ILE A 95 -2.980 -7.377 3.578 1.00 0.00 H ATOM 1532 HG21 ILE A 95 -5.478 -2.956 2.795 1.00 0.00 H ATOM 1533 HG22 ILE A 95 -4.320 -4.100 2.073 1.00 0.00 H ATOM 1534 HG23 ILE A 95 -5.983 -4.625 2.434 1.00 0.00 H ATOM 1535 H ILE A 95 -3.627 -4.327 6.649 1.00 0.00 H ATOM 1536 N LEU A 96 -3.597 -1.201 4.012 1.00 15.59 N ATOM 1537 CA LEU A 96 -4.055 0.186 4.001 1.00 17.47 C ATOM 1538 C LEU A 96 -5.259 0.362 3.086 1.00 18.61 C ATOM 1539 O LEU A 96 -5.156 0.177 1.876 1.00 18.64 O ATOM 1540 CB LEU A 96 -2.920 1.079 3.530 1.00 14.94 C ATOM 1541 CG LEU A 96 -1.649 0.959 4.392 1.00 17.88 C ATOM 1542 CD1 LEU A 96 -0.590 1.861 3.767 1.00 15.69 C ATOM 1543 CD2 LEU A 96 -1.899 1.403 5.841 1.00 14.75 C ATOM 1544 HA LEU A 96 -4.357 0.461 5.012 1.00 0.00 H ATOM 1545 HB2 LEU A 96 -2.669 0.808 2.505 1.00 0.00 H ATOM 1546 HB3 LEU A 96 -3.260 2.114 3.558 1.00 0.00 H ATOM 1547 HG LEU A 96 -1.330 -0.083 4.420 1.00 0.00 H ATOM 1548 HD21 LEU A 96 -2.223 2.444 5.850 1.00 0.00 H ATOM 1549 HD22 LEU A 96 -2.674 0.777 6.283 1.00 0.00 H ATOM 1550 HD23 LEU A 96 -0.978 1.303 6.415 1.00 0.00 H ATOM 1551 HD11 LEU A 96 -0.393 1.534 2.746 1.00 0.00 H ATOM 1552 HD12 LEU A 96 -0.950 2.890 3.757 1.00 0.00 H ATOM 1553 HD13 LEU A 96 0.327 1.802 4.353 1.00 0.00 H ATOM 1554 H LEU A 96 -2.815 -1.465 3.379 1.00 0.00 H ATOM 1555 N MET A 97 -6.408 0.691 3.666 1.00 15.08 N ATOM 1556 CA MET A 97 -7.652 0.744 2.923 1.00 16.90 C ATOM 1557 C MET A 97 -8.033 2.172 2.538 1.00 16.82 C ATOM 1558 O MET A 97 -8.564 2.432 1.433 1.00 18.20 O ATOM 1559 CB MET A 97 -8.762 0.163 3.788 1.00 17.17 C ATOM 1560 CG MET A 97 -8.502 -1.257 4.193 1.00 18.15 C ATOM 1561 SD MET A 97 -8.475 -2.373 2.777 1.00 26.46 S ATOM 1562 CE MET A 97 -10.074 -2.113 2.012 1.00 24.24 C ATOM 1563 HA MET A 97 -7.518 0.171 2.005 1.00 0.00 H ATOM 1564 HB2 MET A 97 -8.856 0.770 4.688 1.00 0.00 H ATOM 1565 HB3 MET A 97 -9.696 0.200 3.227 1.00 0.00 H ATOM 1566 HG2 MET A 97 -9.287 -1.577 4.878 1.00 0.00 H ATOM 1567 HG3 MET A 97 -7.538 -1.307 4.699 1.00 0.00 H ATOM 1568 HE1 MET A 97 -10.861 -2.363 2.724 1.00 0.00 H ATOM 1569 HE2 MET A 97 -10.168 -1.068 1.716 1.00 0.00 H ATOM 1570 HE3 MET A 97 -10.162 -2.750 1.132 1.00 0.00 H ATOM 1571 H MET A 97 -6.415 0.917 4.681 1.00 0.00 H ATOM 1572 N GLU A 98 -7.773 3.110 3.442 1.00 17.27 N ATOM 1573 CA GLU A 98 -8.040 4.524 3.148 1.00 19.25 C ATOM 1574 C GLU A 98 -6.911 5.345 3.693 1.00 17.75 C ATOM 1575 O GLU A 98 -6.465 5.146 4.824 1.00 16.10 O ATOM 1576 CB GLU A 98 -9.336 5.022 3.790 1.00 19.67 C ATOM 1577 CG GLU A 98 -10.572 4.431 3.149 1.00 23.63 C ATOM 1578 CD GLU A 98 -11.835 4.937 3.814 1.00 28.19 C ATOM 1579 OE1 GLU A 98 -11.730 5.822 4.703 1.00 27.10 O ATOM 1580 OE2 GLU A 98 -12.931 4.466 3.453 1.00 35.55 O ATOM 1581 HA GLU A 98 -8.137 4.622 2.067 1.00 0.00 H ATOM 1582 HB2 GLU A 98 -9.328 4.752 4.846 1.00 0.00 H ATOM 1583 HB3 GLU A 98 -9.378 6.107 3.694 1.00 0.00 H ATOM 1584 HG2 GLU A 98 -10.591 4.706 2.095 1.00 0.00 H ATOM 1585 HG3 GLU A 98 -10.534 3.345 3.239 1.00 0.00 H ATOM 1586 H GLU A 98 -7.377 2.841 4.365 1.00 0.00 H ATOM 1587 N LEU A 99 -6.404 6.248 2.887 1.00 20.34 N ATOM 1588 CA LEU A 99 -5.407 7.128 3.412 1.00 20.06 C ATOM 1589 C LEU A 99 -5.457 8.469 2.725 1.00 22.34 C ATOM 1590 O LEU A 99 -6.076 8.627 1.684 1.00 22.04 O ATOM 1591 CB LEU A 99 -4.057 6.480 3.274 1.00 18.98 C ATOM 1592 CG LEU A 99 -3.390 6.237 1.926 1.00 19.96 C ATOM 1593 CD1 LEU A 99 -2.857 7.565 1.238 1.00 19.88 C ATOM 1594 CD2 LEU A 99 -2.182 5.330 2.137 1.00 20.78 C ATOM 1595 HA LEU A 99 -5.600 7.309 4.469 1.00 0.00 H ATOM 1596 HB2 LEU A 99 -3.366 7.100 3.845 1.00 0.00 H ATOM 1597 HB3 LEU A 99 -4.142 5.502 3.748 1.00 0.00 H ATOM 1598 HG LEU A 99 -4.148 5.796 1.278 1.00 0.00 H ATOM 1599 HD21 LEU A 99 -1.481 5.814 2.817 1.00 0.00 H ATOM 1600 HD22 LEU A 99 -2.511 4.383 2.565 1.00 0.00 H ATOM 1601 HD23 LEU A 99 -1.695 5.148 1.179 1.00 0.00 H ATOM 1602 HD11 LEU A 99 -3.691 8.247 1.073 1.00 0.00 H ATOM 1603 HD12 LEU A 99 -2.121 8.039 1.888 1.00 0.00 H ATOM 1604 HD13 LEU A 99 -2.394 7.317 0.283 1.00 0.00 H ATOM 1605 H LEU A 99 -6.717 6.321 1.898 1.00 0.00 H ATOM 1606 N GLU A 100 -4.821 9.444 3.338 1.00 21.44 N ATOM 1607 CA GLU A 100 -4.829 10.761 2.778 1.00 23.28 C ATOM 1608 C GLU A 100 -3.398 11.223 2.722 1.00 21.07 C ATOM 1609 O GLU A 100 -2.697 11.150 3.706 1.00 19.23 O ATOM 1610 CB GLU A 100 -5.564 11.607 3.759 1.00 21.42 C ATOM 1611 CG GLU A 100 -5.818 12.974 3.346 1.00 26.91 C ATOM 1612 CD GLU A 100 -7.074 13.492 4.033 1.00 29.76 C ATOM 1613 OE1 GLU A 100 -7.958 14.053 3.326 1.00 31.10 O ATOM 1614 OE2 GLU A 100 -7.182 13.304 5.282 1.00 31.06 O ATOM 1615 HA GLU A 100 -5.282 10.805 1.788 1.00 0.00 H ATOM 1616 HB2 GLU A 100 -6.525 11.133 3.957 1.00 0.00 H ATOM 1617 HB3 GLU A 100 -4.980 11.638 4.679 1.00 0.00 H ATOM 1618 HG2 GLU A 100 -4.969 13.600 3.622 1.00 0.00 H ATOM 1619 HG3 GLU A 100 -5.956 13.007 2.265 1.00 0.00 H ATOM 1620 H GLU A 100 -4.314 9.258 4.227 1.00 0.00 H ATOM 1621 N VAL A 101 -2.950 11.726 1.584 1.00 15.91 N ATOM 1622 CA VAL A 101 -1.614 12.328 1.541 1.00 17.12 C ATOM 1623 C VAL A 101 -1.706 13.736 2.124 1.00 17.10 C ATOM 1624 O VAL A 101 -2.434 14.589 1.595 1.00 19.61 O ATOM 1625 CB VAL A 101 -1.117 12.381 0.093 1.00 17.35 C ATOM 1626 CG1 VAL A 101 0.258 13.081 0.004 1.00 15.54 C ATOM 1627 CG2 VAL A 101 -0.988 10.945 -0.426 1.00 15.49 C ATOM 1628 HA VAL A 101 -0.909 11.733 2.122 1.00 0.00 H ATOM 1629 HB VAL A 101 -1.828 12.949 -0.508 1.00 0.00 H ATOM 1630 HG11 VAL A 101 0.171 14.100 0.382 1.00 0.00 H ATOM 1631 HG12 VAL A 101 0.984 12.531 0.603 1.00 0.00 H ATOM 1632 HG13 VAL A 101 0.586 13.104 -1.035 1.00 0.00 H ATOM 1633 HG21 VAL A 101 -0.277 10.399 0.194 1.00 0.00 H ATOM 1634 HG22 VAL A 101 -1.961 10.455 -0.382 1.00 0.00 H ATOM 1635 HG23 VAL A 101 -0.635 10.963 -1.457 1.00 0.00 H ATOM 1636 H VAL A 101 -3.540 11.695 0.728 1.00 0.00 H ATOM 1637 N LEU A 102 -0.974 14.005 3.210 1.00 15.73 N ATOM 1638 CA LEU A 102 -0.996 15.308 3.870 1.00 17.38 C ATOM 1639 C LEU A 102 0.077 16.183 3.264 1.00 18.24 C ATOM 1640 O LEU A 102 -0.108 17.399 3.085 1.00 17.89 O ATOM 1641 CB LEU A 102 -0.690 15.171 5.365 1.00 16.51 C ATOM 1642 CG LEU A 102 -1.677 14.287 6.142 1.00 16.15 C ATOM 1643 CD1 LEU A 102 -1.316 14.296 7.644 1.00 13.69 C ATOM 1644 CD2 LEU A 102 -3.129 14.725 5.951 1.00 16.71 C ATOM 1645 HA LEU A 102 -1.988 15.740 3.738 1.00 0.00 H ATOM 1646 HB2 LEU A 102 0.306 14.742 5.470 1.00 0.00 H ATOM 1647 HB3 LEU A 102 -0.704 16.167 5.808 1.00 0.00 H ATOM 1648 HG LEU A 102 -1.591 13.276 5.744 1.00 0.00 H ATOM 1649 HD21 LEU A 102 -3.247 15.750 6.302 1.00 0.00 H ATOM 1650 HD22 LEU A 102 -3.388 14.669 4.894 1.00 0.00 H ATOM 1651 HD23 LEU A 102 -3.784 14.067 6.522 1.00 0.00 H ATOM 1652 HD11 LEU A 102 -0.305 13.911 7.776 1.00 0.00 H ATOM 1653 HD12 LEU A 102 -1.369 15.317 8.023 1.00 0.00 H ATOM 1654 HD13 LEU A 102 -2.020 13.667 8.189 1.00 0.00 H ATOM 1655 H LEU A 102 -0.365 13.257 3.600 1.00 0.00 H ATOM 1656 N LYS A 103 1.215 15.571 2.959 1.00 17.13 N ATOM 1657 CA LYS A 103 2.272 16.328 2.300 1.00 18.41 C ATOM 1658 C LYS A 103 2.907 15.496 1.196 1.00 19.58 C ATOM 1659 O LYS A 103 3.327 14.360 1.409 1.00 17.97 O ATOM 1660 CB LYS A 103 3.321 16.729 3.326 1.00 21.41 C ATOM 1661 CG LYS A 103 2.866 17.817 4.246 1.00 26.31 C ATOM 1662 CD LYS A 103 3.919 17.973 5.317 1.00 28.84 C ATOM 1663 CE LYS A 103 4.418 19.388 5.370 1.00 32.20 C ATOM 1664 NZ LYS A 103 4.799 19.671 6.791 1.00 34.98 N ATOM 1665 HA LYS A 103 1.845 17.225 1.852 1.00 0.00 H ATOM 1666 HB2 LYS A 103 3.573 15.853 3.924 1.00 0.00 H ATOM 1667 HB3 LYS A 103 4.209 17.073 2.796 1.00 0.00 H ATOM 1668 HG2 LYS A 103 2.755 18.750 3.694 1.00 0.00 H ATOM 1669 HG3 LYS A 103 1.911 17.548 4.698 1.00 0.00 H ATOM 1670 HD2 LYS A 103 3.489 17.709 6.283 1.00 0.00 H ATOM 1671 HD3 LYS A 103 4.754 17.307 5.098 1.00 0.00 H ATOM 1672 HE2 LYS A 103 3.633 20.073 5.050 1.00 0.00 H ATOM 1673 HE3 LYS A 103 5.286 19.503 4.720 1.00 0.00 H ATOM 1674 HZ1 LYS A 103 3.966 19.553 7.402 1.00 0.00 H ATOM 1675 HZ2 LYS A 103 5.544 19.009 7.087 1.00 0.00 H ATOM 1676 HZ3 LYS A 103 5.151 20.647 6.867 1.00 0.00 H ATOM 1677 H LYS A 103 1.350 14.565 3.187 1.00 0.00 H ATOM 1678 N SER A 104 2.985 16.066 0.005 1.00 19.84 N ATOM 1679 CA SER A 104 3.566 15.350 -1.119 1.00 19.55 C ATOM 1680 C SER A 104 5.065 15.112 -0.906 1.00 19.76 C ATOM 1681 O SER A 104 5.711 15.804 -0.101 1.00 18.25 O ATOM 1682 CB SER A 104 3.362 16.151 -2.395 1.00 21.67 C ATOM 1683 OG SER A 104 4.200 17.300 -2.352 1.00 22.70 O ATOM 1684 HA SER A 104 3.069 14.383 -1.200 1.00 0.00 H ATOM 1685 HB2 SER A 104 2.319 16.460 -2.472 1.00 0.00 H ATOM 1686 HB3 SER A 104 3.623 15.539 -3.258 1.00 0.00 H ATOM 1687 HG SER A 104 5.145 17.015 -2.281 1.00 0.00 H ATOM 1688 H SER A 104 2.628 17.034 -0.128 1.00 0.00 H ATOM 1689 N ALA A 105 5.618 14.128 -1.615 1.00 17.73 N ATOM 1690 CA ALA A 105 7.043 13.803 -1.503 1.00 19.20 C ATOM 1691 C ALA A 105 7.879 15.029 -1.797 1.00 19.12 C ATOM 1692 O ALA A 105 8.878 15.286 -1.134 1.00 19.58 O ATOM 1693 CB ALA A 105 7.390 12.680 -2.441 1.00 16.44 C ATOM 1694 HA ALA A 105 7.258 13.478 -0.485 1.00 0.00 H ATOM 1695 HB1 ALA A 105 6.800 11.800 -2.186 1.00 0.00 H ATOM 1696 HB2 ALA A 105 7.170 12.982 -3.465 1.00 0.00 H ATOM 1697 HB3 ALA A 105 8.451 12.447 -2.350 1.00 0.00 H ATOM 1698 H ALA A 105 5.023 13.576 -2.265 1.00 0.00 H ATOM 1699 N GLU A 106 7.424 15.836 -2.749 1.00 24.74 N ATOM 1700 CA GLU A 106 8.172 17.005 -3.149 1.00 27.36 C ATOM 1701 C GLU A 106 8.201 18.040 -2.035 1.00 26.12 C ATOM 1702 O GLU A 106 9.164 18.782 -1.928 1.00 25.38 O ATOM 1703 CB GLU A 106 7.584 17.628 -4.447 1.00 28.48 C ATOM 1704 CG GLU A 106 7.618 16.688 -5.679 1.00 30.13 C ATOM 1705 CD GLU A 106 6.691 15.456 -5.552 1.00 33.57 C ATOM 1706 OE1 GLU A 106 5.602 15.568 -4.933 1.00 31.64 O ATOM 1707 OE2 GLU A 106 7.058 14.356 -6.075 1.00 36.18 O ATOM 1708 HA GLU A 106 9.195 16.688 -3.353 1.00 0.00 H ATOM 1709 HB2 GLU A 106 6.547 17.902 -4.255 1.00 0.00 H ATOM 1710 HB3 GLU A 106 8.157 18.524 -4.685 1.00 0.00 H ATOM 1711 HG2 GLU A 106 7.312 17.259 -6.556 1.00 0.00 H ATOM 1712 HG3 GLU A 106 8.641 16.336 -5.815 1.00 0.00 H ATOM 1713 H GLU A 106 6.517 15.623 -3.212 1.00 0.00 H ATOM 1714 N ALA A 107 7.154 18.100 -1.217 1.00 22.73 N ATOM 1715 CA ALA A 107 7.074 19.073 -0.151 1.00 21.76 C ATOM 1716 C ALA A 107 7.801 18.629 1.121 1.00 22.83 C ATOM 1717 O ALA A 107 8.023 19.449 2.023 1.00 23.53 O ATOM 1718 CB ALA A 107 5.611 19.377 0.170 1.00 21.35 C ATOM 1719 HA ALA A 107 7.576 19.972 -0.508 1.00 0.00 H ATOM 1720 HB1 ALA A 107 5.121 19.776 -0.718 1.00 0.00 H ATOM 1721 HB2 ALA A 107 5.111 18.460 0.482 1.00 0.00 H ATOM 1722 HB3 ALA A 107 5.562 20.111 0.974 1.00 0.00 H ATOM 1723 H ALA A 107 6.371 17.428 -1.348 1.00 0.00 H ATOM 1724 N VAL A 108 8.144 17.347 1.228 1.00 20.25 N ATOM 1725 CA VAL A 108 8.871 16.850 2.400 1.00 19.50 C ATOM 1726 C VAL A 108 10.336 16.656 2.029 1.00 17.71 C ATOM 1727 O VAL A 108 11.235 17.200 2.713 1.00 20.82 O ATOM 1728 CB VAL A 108 8.259 15.523 2.902 1.00 18.46 C ATOM 1729 CG1 VAL A 108 8.923 15.044 4.212 1.00 15.51 C ATOM 1730 CG2 VAL A 108 6.761 15.755 3.153 1.00 17.83 C ATOM 1731 HA VAL A 108 8.793 17.578 3.208 1.00 0.00 H ATOM 1732 HB VAL A 108 8.423 14.754 2.147 1.00 0.00 H ATOM 1733 HG11 VAL A 108 9.988 14.887 4.042 1.00 0.00 H ATOM 1734 HG12 VAL A 108 8.785 15.800 4.985 1.00 0.00 H ATOM 1735 HG13 VAL A 108 8.463 14.108 4.530 1.00 0.00 H ATOM 1736 HG21 VAL A 108 6.636 16.535 3.904 1.00 0.00 H ATOM 1737 HG22 VAL A 108 6.282 16.063 2.224 1.00 0.00 H ATOM 1738 HG23 VAL A 108 6.306 14.831 3.509 1.00 0.00 H ATOM 1739 H VAL A 108 7.891 16.686 0.466 1.00 0.00 H ATOM 1740 N GLY A 109 10.566 15.806 1.048 1.00 20.99 N ATOM 1741 CA GLY A 109 11.850 15.760 0.346 1.00 20.06 C ATOM 1742 C GLY A 109 12.918 14.876 0.960 1.00 19.75 C ATOM 1743 O GLY A 109 13.955 14.647 0.342 1.00 22.25 O ATOM 1744 HA3 GLY A 109 12.243 16.776 0.304 1.00 0.00 H ATOM 1745 HA2 GLY A 109 11.663 15.402 -0.666 1.00 0.00 H ATOM 1746 H GLY A 109 9.812 15.148 0.764 1.00 0.00 H ATOM 1747 N VAL A 110 12.696 14.392 2.182 1.00 19.99 N ATOM 1748 CA VAL A 110 13.709 13.596 2.870 1.00 19.18 C ATOM 1749 C VAL A 110 13.047 12.604 3.813 1.00 16.32 C ATOM 1750 O VAL A 110 11.901 12.818 4.226 1.00 16.79 O ATOM 1751 CB VAL A 110 14.688 14.495 3.738 1.00 19.60 C ATOM 1752 CG1 VAL A 110 15.433 15.510 2.896 1.00 20.04 C ATOM 1753 CG2 VAL A 110 13.955 15.166 4.903 1.00 20.87 C ATOM 1754 HA VAL A 110 14.280 13.085 2.095 1.00 0.00 H ATOM 1755 HB VAL A 110 15.435 13.824 4.161 1.00 0.00 H ATOM 1756 HG11 VAL A 110 16.027 14.991 2.144 1.00 0.00 H ATOM 1757 HG12 VAL A 110 14.717 16.168 2.404 1.00 0.00 H ATOM 1758 HG13 VAL A 110 16.089 16.100 3.536 1.00 0.00 H ATOM 1759 HG21 VAL A 110 13.160 15.801 4.513 1.00 0.00 H ATOM 1760 HG22 VAL A 110 13.526 14.401 5.550 1.00 0.00 H ATOM 1761 HG23 VAL A 110 14.659 15.772 5.473 1.00 0.00 H ATOM 1762 H VAL A 110 11.788 14.584 2.652 1.00 0.00 H ATOM 1763 N LYS A 111 13.752 11.521 4.116 1.00 20.10 N ATOM 1764 CA LYS A 111 13.367 10.636 5.221 1.00 19.94 C ATOM 1765 C LYS A 111 13.479 11.405 6.535 1.00 17.23 C ATOM 1766 O LYS A 111 14.563 11.910 6.922 1.00 18.81 O ATOM 1767 CB LYS A 111 14.270 9.398 5.285 1.00 20.51 C ATOM 1768 CG LYS A 111 13.878 8.440 6.454 1.00 18.49 C ATOM 1769 CD LYS A 111 14.484 6.998 6.332 1.00 20.64 C ATOM 1770 CE LYS A 111 15.958 6.953 6.583 1.00 23.83 C ATOM 1771 NZ LYS A 111 16.486 5.549 6.355 1.00 30.38 N ATOM 1772 HA LYS A 111 12.342 10.304 5.056 1.00 0.00 H ATOM 1773 HB2 LYS A 111 14.188 8.855 4.344 1.00 0.00 H ATOM 1774 HB3 LYS A 111 15.301 9.722 5.428 1.00 0.00 H ATOM 1775 HG2 LYS A 111 14.226 8.880 7.389 1.00 0.00 H ATOM 1776 HG3 LYS A 111 12.792 8.354 6.477 1.00 0.00 H ATOM 1777 HD2 LYS A 111 13.989 6.352 7.057 1.00 0.00 H ATOM 1778 HD3 LYS A 111 14.293 6.626 5.326 1.00 0.00 H ATOM 1779 HE2 LYS A 111 16.157 7.250 7.613 1.00 0.00 H ATOM 1780 HE3 LYS A 111 16.460 7.642 5.904 1.00 0.00 H ATOM 1781 HZ1 LYS A 111 16.009 4.891 7.004 1.00 0.00 H ATOM 1782 HZ2 LYS A 111 16.299 5.265 5.372 1.00 0.00 H ATOM 1783 HZ3 LYS A 111 17.511 5.532 6.533 1.00 0.00 H ATOM 1784 H LYS A 111 14.599 11.294 3.556 1.00 0.00 H ATOM 1785 N ILE A 112 12.376 11.421 7.267 1.00 15.19 N ATOM 1786 CA ILE A 112 12.283 12.137 8.503 1.00 14.61 C ATOM 1787 C ILE A 112 12.893 11.308 9.628 1.00 16.66 C ATOM 1788 O ILE A 112 12.580 10.114 9.778 1.00 14.17 O ATOM 1789 CB ILE A 112 10.811 12.458 8.794 1.00 15.96 C ATOM 1790 CG1 ILE A 112 10.330 13.603 7.888 1.00 12.25 C ATOM 1791 CG2 ILE A 112 10.633 12.880 10.256 1.00 15.53 C ATOM 1792 CD1 ILE A 112 8.757 13.666 7.853 1.00 11.87 C ATOM 1793 HA ILE A 112 12.837 13.073 8.431 1.00 0.00 H ATOM 1794 HB ILE A 112 10.224 11.560 8.600 1.00 0.00 H ATOM 1795 HG12 ILE A 112 10.717 14.548 8.270 1.00 0.00 H ATOM 1796 HG13 ILE A 112 10.704 13.440 6.877 1.00 0.00 H ATOM 1797 HD11 ILE A 112 8.365 12.724 7.468 1.00 0.00 H ATOM 1798 HD12 ILE A 112 8.379 13.833 8.862 1.00 0.00 H ATOM 1799 HD13 ILE A 112 8.442 14.484 7.205 1.00 0.00 H ATOM 1800 HG21 ILE A 112 10.955 12.069 10.909 1.00 0.00 H ATOM 1801 HG22 ILE A 112 11.235 13.767 10.453 1.00 0.00 H ATOM 1802 HG23 ILE A 112 9.583 13.104 10.443 1.00 0.00 H ATOM 1803 H ILE A 112 11.545 10.893 6.931 1.00 0.00 H ATOM 1804 N GLY A 113 13.760 11.927 10.423 1.00 21.29 N ATOM 1805 CA GLY A 113 14.360 11.246 11.573 1.00 20.66 C ATOM 1806 C GLY A 113 15.291 10.123 11.145 1.00 22.24 C ATOM 1807 O GLY A 113 15.757 10.100 10.001 1.00 20.63 O ATOM 1808 HA3 GLY A 113 13.564 10.829 12.190 1.00 0.00 H ATOM 1809 HA2 GLY A 113 14.927 11.972 12.156 1.00 0.00 H ATOM 1810 H GLY A 113 14.018 12.915 10.225 1.00 0.00 H ATOM 1811 N ASN A 114 15.531 9.171 12.049 1.00 22.25 N ATOM 1812 CA ASN A 114 16.380 8.020 11.779 1.00 22.06 C ATOM 1813 C ASN A 114 15.713 6.762 12.335 1.00 22.48 C ATOM 1814 O ASN A 114 16.178 6.172 13.326 1.00 25.01 O ATOM 1815 CB ASN A 114 17.748 8.211 12.440 1.00 28.34 C ATOM 1816 CG ASN A 114 18.757 7.146 12.018 1.00 32.79 C ATOM 1817 OD1 ASN A 114 18.599 6.491 10.974 1.00 33.04 O ATOM 1818 ND2 ASN A 114 19.808 6.970 12.826 1.00 39.44 N ATOM 1819 HA ASN A 114 16.519 7.918 10.703 1.00 0.00 H ATOM 1820 HB2 ASN A 114 18.137 9.191 12.162 1.00 0.00 H ATOM 1821 HB3 ASN A 114 17.623 8.165 13.522 1.00 0.00 H ATOM 1822 HD22 ASN A 114 19.901 7.541 13.691 1.00 0.00 H ATOM 1823 HD21 ASN A 114 20.533 6.263 12.590 1.00 0.00 H ATOM 1824 H ASN A 114 15.092 9.255 12.988 1.00 0.00 H ATOM 1825 N PRO A 115 14.602 6.359 11.710 1.00 19.48 N ATOM 1826 CA PRO A 115 13.839 5.207 12.202 1.00 15.89 C ATOM 1827 C PRO A 115 14.615 3.908 12.004 1.00 20.36 C ATOM 1828 O PRO A 115 15.434 3.775 11.068 1.00 20.45 O ATOM 1829 CB PRO A 115 12.562 5.238 11.339 1.00 15.57 C ATOM 1830 CG PRO A 115 13.030 5.948 10.016 1.00 17.39 C ATOM 1831 CD PRO A 115 13.932 7.031 10.573 1.00 16.07 C ATOM 1832 HA PRO A 115 13.630 5.255 13.271 1.00 0.00 H ATOM 1833 HD3 PRO A 115 14.658 7.357 9.828 1.00 0.00 H ATOM 1834 HD2 PRO A 115 13.351 7.888 10.912 1.00 0.00 H ATOM 1835 HG3 PRO A 115 12.188 6.371 9.468 1.00 0.00 H ATOM 1836 HG2 PRO A 115 13.578 5.265 9.367 1.00 0.00 H ATOM 1837 HB2 PRO A 115 12.205 4.229 11.135 1.00 0.00 H ATOM 1838 HB3 PRO A 115 11.773 5.809 11.830 1.00 0.00 H ATOM 1839 N VAL A 116 14.396 2.975 12.926 1.00 19.24 N ATOM 1840 CA VAL A 116 14.999 1.655 12.844 1.00 20.30 C ATOM 1841 C VAL A 116 13.942 0.598 12.586 1.00 20.67 C ATOM 1842 O VAL A 116 12.789 0.764 12.952 1.00 18.88 O ATOM 1843 CB VAL A 116 15.784 1.295 14.130 1.00 24.26 C ATOM 1844 CG1 VAL A 116 16.893 2.285 14.300 1.00 27.30 C ATOM 1845 CG2 VAL A 116 14.870 1.327 15.355 1.00 22.06 C ATOM 1846 HA VAL A 116 15.702 1.679 12.011 1.00 0.00 H ATOM 1847 HB VAL A 116 16.185 0.286 14.037 1.00 0.00 H ATOM 1848 HG11 VAL A 116 17.554 2.240 13.434 1.00 0.00 H ATOM 1849 HG12 VAL A 116 16.473 3.287 14.387 1.00 0.00 H ATOM 1850 HG13 VAL A 116 17.457 2.046 15.202 1.00 0.00 H ATOM 1851 HG21 VAL A 116 14.451 2.327 15.468 1.00 0.00 H ATOM 1852 HG22 VAL A 116 14.063 0.606 15.223 1.00 0.00 H ATOM 1853 HG23 VAL A 116 15.447 1.071 16.244 1.00 0.00 H ATOM 1854 H VAL A 116 13.775 3.197 13.730 1.00 0.00 H ATOM 1855 N PRO A 117 14.331 -0.493 11.939 1.00 19.99 N ATOM 1856 CA PRO A 117 13.327 -1.511 11.631 1.00 21.08 C ATOM 1857 C PRO A 117 12.663 -2.065 12.879 1.00 24.50 C ATOM 1858 O PRO A 117 13.306 -2.360 13.907 1.00 25.26 O ATOM 1859 CB PRO A 117 14.148 -2.600 10.943 1.00 23.46 C ATOM 1860 CG PRO A 117 15.227 -1.829 10.275 1.00 23.82 C ATOM 1861 CD PRO A 117 15.598 -0.752 11.232 1.00 23.21 C ATOM 1862 HA PRO A 117 12.511 -1.115 11.027 1.00 0.00 H ATOM 1863 HD3 PRO A 117 16.371 -1.089 11.922 1.00 0.00 H ATOM 1864 HD2 PRO A 117 15.944 0.138 10.707 1.00 0.00 H ATOM 1865 HG3 PRO A 117 14.866 -1.400 9.340 1.00 0.00 H ATOM 1866 HG2 PRO A 117 16.084 -2.471 10.072 1.00 0.00 H ATOM 1867 HB2 PRO A 117 14.559 -3.301 11.670 1.00 0.00 H ATOM 1868 HB3 PRO A 117 13.546 -3.145 10.215 1.00 0.00 H ATOM 1869 N TYR A 118 11.343 -2.172 12.797 1.00 22.02 N ATOM 1870 CA TYR A 118 10.588 -2.819 13.857 1.00 23.67 C ATOM 1871 C TYR A 118 10.881 -4.301 13.797 1.00 29.83 C ATOM 1872 O TYR A 118 10.893 -4.894 12.719 1.00 28.24 O ATOM 1873 CB TYR A 118 9.103 -2.568 13.659 1.00 22.05 C ATOM 1874 CG TYR A 118 8.269 -3.185 14.725 1.00 25.51 C ATOM 1875 CD1 TYR A 118 8.113 -2.561 15.949 1.00 24.16 C ATOM 1876 CD2 TYR A 118 7.617 -4.394 14.500 1.00 27.17 C ATOM 1877 CE1 TYR A 118 7.327 -3.132 16.938 1.00 24.43 C ATOM 1878 CE2 TYR A 118 6.842 -4.978 15.490 1.00 27.30 C ATOM 1879 CZ TYR A 118 6.696 -4.337 16.699 1.00 28.63 C ATOM 1880 OH TYR A 118 5.925 -4.914 17.692 1.00 29.77 O ATOM 1881 HA TYR A 118 10.874 -2.419 14.830 1.00 0.00 H ATOM 1882 HB3 TYR A 118 8.804 -2.984 12.697 1.00 0.00 H ATOM 1883 HB2 TYR A 118 8.928 -1.492 13.658 1.00 0.00 H ATOM 1884 HD2 TYR A 118 7.717 -4.888 13.533 1.00 0.00 H ATOM 1885 HE2 TYR A 118 6.353 -5.936 15.313 1.00 0.00 H ATOM 1886 HE1 TYR A 118 7.208 -2.632 17.899 1.00 0.00 H ATOM 1887 HD1 TYR A 118 8.613 -1.611 16.138 1.00 0.00 H ATOM 1888 HH TYR A 118 5.925 -4.328 18.490 1.00 0.00 H ATOM 1889 H TYR A 118 10.845 -1.790 11.968 1.00 0.00 H ATOM 1890 N ASN A 119 11.131 -4.891 14.958 1.00 35.70 N ATOM 1891 CA ASN A 119 11.487 -6.303 15.031 1.00 40.58 C ATOM 1892 C ASN A 119 10.245 -7.139 15.322 1.00 42.62 C ATOM 1893 O ASN A 119 9.666 -7.031 16.407 1.00 40.94 O ATOM 1894 CB ASN A 119 12.523 -6.520 16.143 1.00 44.19 C ATOM 1895 CG ASN A 119 13.801 -5.706 15.926 1.00 45.07 C ATOM 1896 OD1 ASN A 119 14.164 -4.870 16.761 1.00 43.57 O ATOM 1897 ND2 ASN A 119 14.487 -5.954 14.804 1.00 44.96 N ATOM 1898 HA ASN A 119 11.911 -6.611 14.075 1.00 0.00 H ATOM 1899 HB2 ASN A 119 12.080 -6.227 17.095 1.00 0.00 H ATOM 1900 HB3 ASN A 119 12.784 -7.578 16.175 1.00 0.00 H ATOM 1901 HD22 ASN A 119 14.142 -6.667 14.130 1.00 0.00 H ATOM 1902 HD21 ASN A 119 15.365 -5.433 14.606 1.00 0.00 H ATOM 1903 H ASN A 119 11.072 -4.335 15.835 1.00 0.00 H ATOM 1904 N GLU A 120 9.824 -7.939 14.347 1.00 56.59 N ATOM 1905 CA GLU A 120 8.784 -8.949 14.572 1.00 62.75 C ATOM 1906 C GLU A 120 7.454 -8.366 15.063 1.00 63.24 C ATOM 1907 O GLU A 120 6.416 -8.512 14.403 1.00 62.54 O ATOM 1908 CB GLU A 120 9.297 -10.043 15.533 1.00 65.61 C ATOM 1909 CG GLU A 120 9.811 -11.333 14.857 1.00 71.39 C ATOM 1910 CD GLU A 120 11.162 -11.198 14.124 1.00 73.68 C ATOM 1911 OE1 GLU A 120 11.500 -10.103 13.615 1.00 74.09 O ATOM 1912 OE2 GLU A 120 11.893 -12.214 14.052 1.00 70.93 O ATOM 1913 HA GLU A 120 8.570 -9.393 13.600 1.00 0.00 H ATOM 1914 HB2 GLU A 120 10.115 -9.621 16.117 1.00 0.00 H ATOM 1915 HB3 GLU A 120 8.479 -10.316 16.200 1.00 0.00 H ATOM 1916 HG2 GLU A 120 9.920 -12.097 15.627 1.00 0.00 H ATOM 1917 HG3 GLU A 120 9.064 -11.654 14.131 1.00 0.00 H ATOM 1918 H GLU A 120 10.243 -7.846 13.400 1.00 0.00 H TER 1919 GLU A 120 HETATM 1920 O HOH 1 10.849 8.744 8.575 1.00 16.46 O HETATM 1921 O HOH 2 5.414 12.987 17.079 1.00 17.06 O HETATM 1922 O HOH 3 6.670 2.295 16.759 1.00 20.34 O HETATM 1923 O HOH 4 -1.867 -2.565 -4.098 1.00 21.98 O HETATM 1924 O HOH 5 16.802 5.430 9.348 1.00 31.15 O HETATM 1925 O HOH 6 -3.625 -16.542 7.826 1.00 26.66 O HETATM 1926 O HOH 7 4.357 6.701 -7.052 1.00 28.75 O HETATM 1927 O HOH 8 2.051 18.824 -0.131 1.00 24.70 O HETATM 1928 O HOH 9 -6.665 -7.703 13.061 1.00 25.48 O HETATM 1929 O HOH 10 10.550 20.156 -0.583 1.00 29.08 O HETATM 1930 O HOH 11 -8.704 1.424 10.819 1.00 30.30 O HETATM 1931 O HOH 12 9.828 3.834 -3.844 1.00 29.93 O HETATM 1932 O HOH 13 9.927 15.272 20.760 1.00 37.48 O HETATM 1933 O HOH 14 9.285 10.333 -4.399 1.00 23.53 O HETATM 1934 O HOH 15 5.084 -9.571 12.023 1.00 29.20 O HETATM 1935 O HOH 16 11.459 -2.122 8.341 1.00 24.96 O HETATM 1936 O HOH 17 3.911 12.250 -3.339 1.00 28.48 O HETATM 1937 O HOH 18 -9.593 -2.690 -2.865 1.00 36.67 O HETATM 1938 O HOH 19 12.460 -1.148 17.692 1.00 34.97 O HETATM 1939 O HOH 20 -0.917 -17.577 5.517 1.00 33.03 O HETATM 1940 O HOH 21 -3.923 -1.120 -10.649 1.00 35.22 O HETATM 1941 O HOH 22 10.635 -4.260 9.868 1.00 37.45 O HETATM 1942 O HOH 23 5.459 -8.733 9.097 1.00 33.32 O HETATM 1943 O HOH 24 12.735 7.656 1.325 1.00 30.90 O HETATM 1944 O HOH 25 15.051 5.312 15.808 1.00 32.28 O HETATM 1945 O HOH 26 -0.513 -8.656 19.666 1.00 36.93 O HETATM 1946 O HOH 27 -1.774 -6.417 15.609 1.00 31.52 O HETATM 1947 O HOH 28 3.536 2.620 20.870 1.00 31.52 O HETATM 1948 O HOH 29 2.248 -5.981 -9.067 1.00 32.93 O HETATM 1949 O HOH 30 8.018 6.204 -4.957 1.00 35.94 O HETATM 1950 O HOH 31 -5.686 11.149 -13.850 1.00 45.48 O HETATM 1951 O HOH 32 -7.711 -5.431 11.639 1.00 38.31 O HETATM 1952 O HOH 33 -4.800 16.374 2.379 1.00 33.58 O HETATM 1953 O HOH 34 -8.375 0.603 18.268 1.00 41.98 O HETATM 1954 O HOH 35 3.945 -11.091 14.126 1.00 31.22 O HETATM 1955 O HOH 36 9.554 -0.203 19.056 1.00 34.66 O HETATM 1956 O HOH 37 -4.075 12.299 -10.317 1.00 35.78 O HETATM 1957 O HOH 38 11.480 -3.241 17.305 1.00 44.33 O HETATM 1958 O HOH 39 -8.199 -7.197 -3.320 1.00 47.03 O HETATM 1959 O HOH 40 -6.234 13.986 12.646 1.00 37.05 O HETATM 1960 O HOH 41 7.566 -9.813 -5.569 1.00 45.16 O HETATM 1961 O HOH 42 -4.067 3.723 -11.786 1.00 44.82 O HETATM 1962 O HOH 43 7.037 -15.490 11.885 1.00 45.06 O HETATM 1963 O HOH 44 -3.098 -8.882 -4.661 1.00 45.30 O HETATM 1964 O HOH 45 1.797 4.554 -13.752 1.00 46.79 O HETATM 1965 O HOH 46 15.807 -2.867 14.418 1.00 33.05 O HETATM 1966 O HOH 47 14.221 8.736 14.525 1.00 37.68 O HETATM 1967 O HOH 48 7.953 -1.226 21.373 1.00 43.46 O HETATM 1968 O HOH 49 9.093 17.554 21.573 1.00 41.20 O HETATM 1969 O HOH 50 12.456 -1.738 20.180 1.00 37.15 O HETATM 1970 O HOH 51 6.357 5.367 -6.686 1.00 46.36 O HETATM 1971 O HOH 52 8.703 -1.528 -0.202 1.00 35.13 O HETATM 1972 O HOH 53 10.010 -4.794 18.764 1.00 43.00 O HETATM 1973 O HOH 54 -10.831 -1.021 9.750 1.00 41.87 O HETATM 1974 O HOH 55 7.179 -11.951 2.062 1.00 49.67 O HETATM 1975 O HOH 56 -0.358 18.465 -0.137 1.00 48.46 O HETATM 1976 O HOH 57 11.004 -2.212 0.493 1.00 47.21 O HETATM 1977 O HOH 58 6.269 2.929 21.696 1.00 44.36 O HETATM 1978 C01 UNN A 59 -5.184 -14.660 6.038 1.00 -0.07 C HETATM 1979 C02 UNN A 59 -6.315 -14.051 5.497 1.00 -0.05 C HETATM 1980 C03 UNN A 59 -6.183 -12.838 4.819 1.00 0.04 C HETATM 1981 C04 UNN A 59 -4.923 -12.246 4.675 1.00 -0.01 C HETATM 1982 C05 UNN A 59 -3.785 -12.844 5.214 1.00 -0.06 C HETATM 1983 C06 UNN A 59 -3.933 -14.053 5.894 1.00 -0.07 C HETATM 1984 H4 UNN A 59 -3.059 -14.532 6.320 1.00 0.06 H HETATM 1985 H3 UNN A 59 -2.810 -12.382 5.107 1.00 0.06 H HETATM 1986 C09 UNN A 59 -4.949 -11.008 3.939 1.00 0.06 C HETATM 1987 C08 UNN A 59 -6.221 -10.634 3.495 1.00 0.10 C HETATM 1988 S07 UNN A 59 -7.289 -11.809 4.039 1.00 -0.03 S HETATM 1989 C10 UNN A 59 -6.566 -9.395 2.747 1.00 0.18 C HETATM 1990 N11 UNN A 59 -6.054 -8.924 1.554 1.00 -0.16 N HETATM 1991 C12 UNN A 59 -6.713 -7.740 1.334 1.00 0.22 C HETATM 1992 N13 UNN A 59 -7.561 -7.515 2.329 1.00 -0.25 N HETATM 1993 N14 UNN A 59 -7.469 -8.517 3.191 1.00 -0.26 N HETATM 1994 S15 UNN A 59 -6.496 -6.672 -0.039 1.00 -0.02 S HETATM 1995 C16 UNN A 59 -7.927 -5.646 0.020 1.00 0.07 C HETATM 1996 C17 UNN A 59 -8.016 -4.859 -1.230 1.00 0.05 C HETATM 1997 O18 UNN A 59 -8.928 -4.007 -1.381 1.00 -0.57 O HETATM 1998 O19 UNN A 59 -7.124 -5.080 -2.113 1.00 -0.57 O HETATM 1999 H5 UNN A 59 -7.855 -4.963 0.880 1.00 0.06 H HETATM 2000 H6 UNN A 59 -8.825 -6.273 0.124 1.00 0.06 H HETATM 2001 C20 UNN A 59 -5.080 -9.480 0.660 1.00 0.10 C HETATM 2002 C21 UNN A 59 -3.884 -8.808 0.414 1.00 -0.03 C HETATM 2003 C22 UNN A 59 -2.959 -9.369 -0.470 1.00 -0.07 C HETATM 2004 C23 UNN A 59 -3.234 -10.578 -1.106 1.00 -0.07 C HETATM 2005 C24 UNN A 59 -4.436 -11.244 -0.862 1.00 -0.07 C HETATM 2006 C25 UNN A 59 -5.360 -10.681 0.017 1.00 -0.03 C HETATM 2007 H11 UNN A 59 -6.303 -11.183 0.201 1.00 0.06 H HETATM 2008 H10 UNN A 59 -4.649 -12.188 -1.350 1.00 0.06 H HETATM 2009 H9 UNN A 59 -2.511 -11.003 -1.793 1.00 0.06 H HETATM 2010 H8 UNN A 59 -2.021 -8.861 -0.662 1.00 0.06 H HETATM 2011 H7 UNN A 59 -3.674 -7.863 0.902 1.00 0.06 H HETATM 2012 CL2 UNN A 59 -3.514 -10.094 3.633 1.00 -0.08 CL HETATM 2013 H2 UNN A 59 -7.289 -14.515 5.602 1.00 0.06 H HETATM 2014 H1 UNN A 59 -5.274 -15.601 6.569 1.00 0.06 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 1978 1979 1983 2014 CONECT 1979 1978 1980 2013 CONECT 1980 1979 1981 1988 CONECT 1981 1980 1982 1986 CONECT 1982 1981 1983 1985 CONECT 1983 1978 1982 1984 CONECT 1984 1983 CONECT 1985 1982 CONECT 1986 1981 1987 2012 CONECT 1987 1986 1988 1989 CONECT 1988 1980 1987 CONECT 1989 1987 1990 1993 CONECT 1990 1989 1991 2001 CONECT 1991 1990 1992 1994 CONECT 1992 1991 1993 CONECT 1993 1989 1992 CONECT 1994 1991 1995 CONECT 1995 1994 1996 1999 2000 CONECT 1996 1995 1997 1998 CONECT 1997 1996 CONECT 1998 1996 CONECT 1999 1995 CONECT 2000 1995 CONECT 2001 1990 2002 2006 CONECT 2002 2001 2003 2011 CONECT 2003 2002 2004 2010 CONECT 2004 2003 2005 2009 CONECT 2005 2004 2006 2008 CONECT 2006 2001 2005 2007 CONECT 2007 2006 CONECT 2008 2005 CONECT 2009 2004 CONECT 2010 2003 CONECT 2011 2002 CONECT 2012 1986 CONECT 2013 1979 CONECT 2014 1978 MASTER 0 0 0 0 0 0 0 0 2013 1 41 10 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 4ijl
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4ijh
RCSB PDB
PDBbind
123aa, >4IJH_1|Chain... *
4luo
RCSB PDB
PDBbind
123aa, >4LUO_1|Chain... at 100%
4luv
RCSB PDB
PDBbind
123aa, >4LUV_1|Chain... at 100%
4luz
RCSB PDB
PDBbind
123aa, >4LUZ_1|Chain... at 100%
4lw1
RCSB PDB
PDBbind
123aa, >4LW1_1|Chain... at 100%
4lwc
RCSB PDB
PDBbind
123aa, >4LWC_1|Chain... at 100%
4o0a
RCSB PDB
PDBbind
123aa, >4O0A_1|Chain... at 100%
4r4c
RCSB PDB
PDBbind
123aa, >4R4C_1|Chain... at 100%
4r4i
RCSB PDB
PDBbind
123aa, >4R4I_1|Chain... at 100%
4r4o
RCSB PDB
PDBbind
123aa, >4R4O_1|Chain... at 100%
4r4q
RCSB PDB
PDBbind
123aa, >4R4Q_1|Chain... at 100%
4r4t
RCSB PDB
PDBbind
123aa, >4R4T_1|Chain... at 100%
5e7n
RCSB PDB
PDBbind
123aa, >5E7N_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4ijl
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Replication protein A 70 kDa DNA-binding subunit (E7R mutation)
Ligand Name
1EK
EC.Number
E.C.-.-.-.-
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
Kd=135uM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) ACS MED.CHEM.LETT. Vol. 4: pp. 601-605
Ligand Properties
Formula
C
1
8
H
1
2
ClN
3
O
2
S
2
Molecular Weight
401.890
Exact Mass
401.006
No. of atoms
38
No. of bonds
41
Polar Surface Area
121.55
LOGP Value
5.75 (
Computed with XLOGP3
)
4.98 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 4
Canonical SMILES
OC(=O)CSc1nnc(n1c1ccccc1)c1sc2c(c1Cl)cccc2
InChI String
InChI=1S/C18H12ClN3O2S2/c19-15-12-8-4-5-9-13(12)26-16(15)17-20-21-18(25-10-14(23)24)22(17)11-6-2-1-3-7-11/h1-9H,10H2,(H,23,24)
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):
P27694
Entrez Gene ID
NCBI Entrez Gene ID:
6117
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2025 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓