Browse entries in the PDBbind-CN Database
HEADER 4J2C_COMPLEX COMPND 4J2C_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 108 GLY ALA MET GLU ASP PRO PHE PHE VAL VAL LYS GLY GLU SEQRES 2 A 108 VAL GLN LYS ALA VAL ASN THR ALA GLN GLY LEU PHE GLN SEQRES 3 A 108 ARG TRP THR GLU LEU LEU GLN ASP PRO SER THR ALA THR SEQRES 4 A 108 ARG GLU GLU ILE ASP TRP THR THR ASN GLU LEU ARG ASN SEQRES 5 A 108 ASN LEU ARG SER ILE GLU TRP ASP LEU GLU ASP LEU ASP SEQRES 6 A 108 GLU THR ILE SER ILE VAL GLU ALA ASN PRO ARG LYS PHE SEQRES 7 A 108 ASN LEU ASP ALA THR GLU LEU SER ILE ARG LYS ALA PHE SEQRES 8 A 108 ILE THR SER THR ARG GLN VAL VAL ARG ASP MET LYS ASP SEQRES 9 A 108 GLN MET SER THR HET ALA A 387 193 ATOM 1 N GLY A 1 -17.265 20.660 33.961 1.00 23.08 N ATOM 2 CA GLY A 1 -16.663 21.153 32.734 1.00 24.30 C ATOM 3 C GLY A 1 -16.536 20.102 31.641 1.00 24.46 C ATOM 4 O GLY A 1 -15.582 20.127 30.864 1.00 26.87 O ATOM 5 HA3 GLY A 1 -15.666 21.527 32.967 1.00 0.00 H ATOM 6 HA2 GLY A 1 -17.277 21.970 32.355 1.00 0.00 H ATOM 7 HN3 GLY A 1 -16.685 19.887 34.344 1.00 0.00 H ATOM 8 HN2 GLY A 1 -18.223 20.309 33.759 1.00 0.00 H ATOM 9 HN1 GLY A 1 -17.317 21.433 34.655 1.00 0.00 H ATOM 10 N ALA A 2 -17.497 19.180 31.584 1.00 25.40 N ATOM 11 CA ALA A 2 -17.503 18.124 30.572 1.00 22.95 C ATOM 12 C ALA A 2 -17.294 18.758 29.216 1.00 22.45 C ATOM 13 O ALA A 2 -17.831 19.826 28.949 1.00 21.32 O ATOM 14 CB ALA A 2 -18.817 17.374 30.593 1.00 20.84 C ATOM 15 HA ALA A 2 -16.704 17.413 30.783 1.00 0.00 H ATOM 16 HB1 ALA A 2 -18.961 16.924 31.575 1.00 0.00 H ATOM 17 HB2 ALA A 2 -19.633 18.067 30.386 1.00 0.00 H ATOM 18 HB3 ALA A 2 -18.800 16.593 29.833 1.00 0.00 H ATOM 19 H ALA A 2 -18.268 19.213 32.282 1.00 0.00 H ATOM 20 N MET A 3 -16.518 18.092 28.367 1.00 22.02 N ATOM 21 CA MET A 3 -16.219 18.587 27.031 1.00 21.54 C ATOM 22 C MET A 3 -16.864 17.679 25.982 1.00 21.17 C ATOM 23 O MET A 3 -17.109 16.499 26.236 1.00 20.37 O ATOM 24 CB MET A 3 -14.705 18.630 26.821 1.00 19.99 C ATOM 25 CG MET A 3 -14.197 19.864 26.114 1.00 21.77 C ATOM 26 SD MET A 3 -12.444 19.735 25.695 1.00 23.00 S ATOM 27 CE MET A 3 -11.758 19.274 27.281 1.00 18.56 C ATOM 28 HA MET A 3 -16.623 19.594 26.926 1.00 0.00 H ATOM 29 HB2 MET A 3 -14.225 18.578 27.798 1.00 0.00 H ATOM 30 HB3 MET A 3 -14.420 17.759 26.231 1.00 0.00 H ATOM 31 HG2 MET A 3 -14.340 20.726 26.765 1.00 0.00 H ATOM 32 HG3 MET A 3 -14.769 20.004 25.196 1.00 0.00 H ATOM 33 HE1 MET A 3 -11.978 20.053 28.011 1.00 0.00 H ATOM 34 HE2 MET A 3 -12.201 18.333 27.607 1.00 0.00 H ATOM 35 HE3 MET A 3 -10.678 19.156 27.188 1.00 0.00 H ATOM 36 H MET A 3 -16.110 17.184 28.668 1.00 0.00 H ATOM 37 N GLU A 4 -17.137 18.238 24.808 1.00 19.55 N ATOM 38 CA GLU A 4 -17.698 17.479 23.698 1.00 19.06 C ATOM 39 C GLU A 4 -16.562 16.806 22.923 1.00 18.92 C ATOM 40 O GLU A 4 -15.519 17.415 22.702 1.00 17.69 O ATOM 41 CB GLU A 4 -18.508 18.419 22.792 1.00 20.75 C ATOM 42 CG GLU A 4 -19.066 17.786 21.523 1.00 21.08 C ATOM 43 CD GLU A 4 -19.733 18.799 20.587 1.00 20.76 C ATOM 44 OE1 GLU A 4 -20.175 19.878 21.060 1.00 19.97 O ATOM 45 OE2 GLU A 4 -19.812 18.507 19.367 1.00 20.03 O ATOM 46 HA GLU A 4 -18.368 16.705 24.071 1.00 0.00 H ATOM 47 HB2 GLU A 4 -19.346 18.805 23.372 1.00 0.00 H ATOM 48 HB3 GLU A 4 -17.860 19.245 22.499 1.00 0.00 H ATOM 49 HG2 GLU A 4 -18.248 17.305 20.987 1.00 0.00 H ATOM 50 HG3 GLU A 4 -19.805 17.036 21.805 1.00 0.00 H ATOM 51 H GLU A 4 -16.944 19.251 24.677 1.00 0.00 H ATOM 52 N ASP A 5 -16.763 15.551 22.524 1.00 17.74 N ATOM 53 CA ASP A 5 -15.742 14.795 21.797 1.00 18.21 C ATOM 54 C ASP A 5 -15.680 15.235 20.335 1.00 16.83 C ATOM 55 O ASP A 5 -16.632 15.029 19.578 1.00 16.18 O ATOM 56 CB ASP A 5 -16.027 13.299 21.880 1.00 16.35 C ATOM 57 CG ASP A 5 -14.838 12.451 21.472 1.00 17.04 C ATOM 58 OD1 ASP A 5 -13.935 12.966 20.777 1.00 15.95 O ATOM 59 OD2 ASP A 5 -14.809 11.260 21.850 1.00 18.09 O ATOM 60 HA ASP A 5 -14.777 14.997 22.261 1.00 0.00 H ATOM 61 HB2 ASP A 5 -16.295 13.052 22.907 1.00 0.00 H ATOM 62 HB3 ASP A 5 -16.864 13.066 21.221 1.00 0.00 H ATOM 63 H ASP A 5 -17.673 15.094 22.736 1.00 0.00 H ATOM 64 N PRO A 6 -14.551 15.836 19.927 1.00 16.00 N ATOM 65 CA PRO A 6 -14.515 16.387 18.572 1.00 15.74 C ATOM 66 C PRO A 6 -14.059 15.367 17.528 1.00 15.62 C ATOM 67 O PRO A 6 -13.947 15.734 16.361 1.00 15.09 O ATOM 68 CB PRO A 6 -13.492 17.514 18.694 1.00 15.94 C ATOM 69 CG PRO A 6 -12.513 16.998 19.725 1.00 15.20 C ATOM 70 CD PRO A 6 -13.314 16.123 20.676 1.00 15.55 C ATOM 71 HA PRO A 6 -15.501 16.706 18.234 1.00 0.00 H ATOM 72 HD3 PRO A 6 -12.776 15.203 20.906 1.00 0.00 H ATOM 73 HD2 PRO A 6 -13.534 16.654 21.602 1.00 0.00 H ATOM 74 HG3 PRO A 6 -12.062 17.829 20.267 1.00 0.00 H ATOM 75 HG2 PRO A 6 -11.730 16.413 19.243 1.00 0.00 H ATOM 76 HB2 PRO A 6 -12.995 17.693 17.741 1.00 0.00 H ATOM 77 HB3 PRO A 6 -13.966 18.435 19.034 1.00 0.00 H ATOM 78 N PHE A 7 -13.808 14.118 17.920 1.00 14.70 N ATOM 79 CA PHE A 7 -13.324 13.137 16.946 1.00 14.47 C ATOM 80 C PHE A 7 -14.223 13.148 15.715 1.00 15.13 C ATOM 81 O PHE A 7 -13.756 13.372 14.595 1.00 15.50 O ATOM 82 CB PHE A 7 -13.255 11.731 17.541 1.00 14.47 C ATOM 83 CG PHE A 7 -12.633 10.693 16.616 1.00 15.15 C ATOM 84 CD1 PHE A 7 -13.339 10.183 15.532 1.00 13.35 C ATOM 85 CD2 PHE A 7 -11.352 10.212 16.856 1.00 14.11 C ATOM 86 CE1 PHE A 7 -12.769 9.224 14.698 1.00 13.59 C ATOM 87 CE2 PHE A 7 -10.783 9.259 16.029 1.00 12.94 C ATOM 88 CZ PHE A 7 -11.499 8.760 14.947 1.00 12.21 C ATOM 89 HA PHE A 7 -12.310 13.418 16.660 1.00 0.00 H ATOM 90 HB2 PHE A 7 -12.662 11.775 18.455 1.00 0.00 H ATOM 91 HB3 PHE A 7 -14.269 11.411 17.782 1.00 0.00 H ATOM 92 HD2 PHE A 7 -10.787 10.590 17.708 1.00 0.00 H ATOM 93 HE2 PHE A 7 -9.773 8.900 16.226 1.00 0.00 H ATOM 94 HZ PHE A 7 -11.055 8.004 14.299 1.00 0.00 H ATOM 95 HE1 PHE A 7 -13.331 8.841 13.846 1.00 0.00 H ATOM 96 HD1 PHE A 7 -14.350 10.538 15.333 1.00 0.00 H ATOM 97 H PHE A 7 -13.955 13.842 18.912 1.00 0.00 H ATOM 98 N PHE A 8 -15.518 12.932 15.915 1.00 14.47 N ATOM 99 CA PHE A 8 -16.418 12.825 14.772 1.00 15.13 C ATOM 100 C PHE A 8 -16.389 14.098 13.922 1.00 15.35 C ATOM 101 O PHE A 8 -16.657 14.057 12.720 1.00 15.76 O ATOM 102 CB PHE A 8 -17.848 12.483 15.213 1.00 15.66 C ATOM 103 CG PHE A 8 -18.687 13.680 15.577 1.00 17.53 C ATOM 104 CD1 PHE A 8 -18.421 14.413 16.721 1.00 17.26 C ATOM 105 CD2 PHE A 8 -19.758 14.059 14.780 1.00 18.53 C ATOM 106 CE1 PHE A 8 -19.200 15.502 17.062 1.00 17.26 C ATOM 107 CE2 PHE A 8 -20.538 15.149 15.119 1.00 17.86 C ATOM 108 CZ PHE A 8 -20.256 15.869 16.260 1.00 17.36 C ATOM 109 HA PHE A 8 -16.062 12.003 14.151 1.00 0.00 H ATOM 110 HB2 PHE A 8 -18.341 11.956 14.396 1.00 0.00 H ATOM 111 HB3 PHE A 8 -17.790 11.829 16.083 1.00 0.00 H ATOM 112 HD2 PHE A 8 -19.987 13.492 13.878 1.00 0.00 H ATOM 113 HE2 PHE A 8 -21.375 15.439 14.484 1.00 0.00 H ATOM 114 HZ PHE A 8 -20.870 16.729 16.527 1.00 0.00 H ATOM 115 HE1 PHE A 8 -18.978 16.070 17.966 1.00 0.00 H ATOM 116 HD1 PHE A 8 -17.586 14.127 17.361 1.00 0.00 H ATOM 117 H PHE A 8 -15.889 12.840 16.882 1.00 0.00 H ATOM 118 N VAL A 9 -16.047 15.226 14.534 1.00 14.90 N ATOM 119 CA VAL A 9 -15.948 16.463 13.766 1.00 13.90 C ATOM 120 C VAL A 9 -14.801 16.350 12.767 1.00 15.34 C ATOM 121 O VAL A 9 -14.995 16.528 11.569 1.00 15.49 O ATOM 122 CB VAL A 9 -15.747 17.693 14.656 1.00 14.09 C ATOM 123 CG1 VAL A 9 -15.669 18.959 13.807 1.00 15.47 C ATOM 124 CG2 VAL A 9 -16.877 17.799 15.654 1.00 15.45 C ATOM 125 HA VAL A 9 -16.894 16.600 13.241 1.00 0.00 H ATOM 126 HB VAL A 9 -14.807 17.584 15.197 1.00 0.00 H ATOM 127 HG11 VAL A 9 -14.830 18.880 13.116 1.00 0.00 H ATOM 128 HG12 VAL A 9 -16.595 19.075 13.244 1.00 0.00 H ATOM 129 HG13 VAL A 9 -15.526 19.822 14.457 1.00 0.00 H ATOM 130 HG21 VAL A 9 -17.823 17.892 15.121 1.00 0.00 H ATOM 131 HG22 VAL A 9 -16.895 16.904 16.276 1.00 0.00 H ATOM 132 HG23 VAL A 9 -16.724 18.677 16.282 1.00 0.00 H ATOM 133 H VAL A 9 -15.851 15.228 15.555 1.00 0.00 H ATOM 134 N VAL A 10 -13.613 16.030 13.260 1.00 13.78 N ATOM 135 CA VAL A 10 -12.452 15.900 12.389 1.00 13.93 C ATOM 136 C VAL A 10 -12.637 14.781 11.366 1.00 13.93 C ATOM 137 O VAL A 10 -12.263 14.934 10.209 1.00 14.78 O ATOM 138 CB VAL A 10 -11.159 15.697 13.208 1.00 15.15 C ATOM 139 CG1 VAL A 10 -9.951 15.595 12.293 1.00 13.77 C ATOM 140 CG2 VAL A 10 -10.989 16.838 14.198 1.00 12.40 C ATOM 141 HA VAL A 10 -12.355 16.834 11.836 1.00 0.00 H ATOM 142 HB VAL A 10 -11.239 14.761 13.761 1.00 0.00 H ATOM 143 HG11 VAL A 10 -10.078 14.747 11.619 1.00 0.00 H ATOM 144 HG12 VAL A 10 -9.859 16.512 11.711 1.00 0.00 H ATOM 145 HG13 VAL A 10 -9.053 15.452 12.894 1.00 0.00 H ATOM 146 HG21 VAL A 10 -10.927 17.782 13.656 1.00 0.00 H ATOM 147 HG22 VAL A 10 -11.844 16.861 14.874 1.00 0.00 H ATOM 148 HG23 VAL A 10 -10.074 16.687 14.771 1.00 0.00 H ATOM 149 H VAL A 10 -13.508 15.870 14.282 1.00 0.00 H ATOM 150 N LYS A 11 -13.220 13.663 11.788 1.00 14.68 N ATOM 151 CA LYS A 11 -13.542 12.572 10.868 1.00 13.77 C ATOM 152 C LYS A 11 -14.289 13.060 9.627 1.00 15.06 C ATOM 153 O LYS A 11 -13.946 12.698 8.499 1.00 16.92 O ATOM 154 CB LYS A 11 -14.391 11.519 11.573 1.00 16.17 C ATOM 155 CG LYS A 11 -14.880 10.406 10.664 1.00 15.91 C ATOM 156 CD LYS A 11 -16.092 9.724 11.274 1.00 20.40 C ATOM 157 CE LYS A 11 -16.300 8.329 10.703 1.00 21.18 C ATOM 158 NZ LYS A 11 -17.288 7.536 11.499 1.00 23.31 N ATOM 159 HA LYS A 11 -12.593 12.141 10.547 1.00 0.00 H ATOM 160 HB2 LYS A 11 -13.794 11.074 12.369 1.00 0.00 H ATOM 161 HB3 LYS A 11 -15.260 12.014 12.007 1.00 0.00 H ATOM 162 HG2 LYS A 11 -15.152 10.825 9.695 1.00 0.00 H ATOM 163 HG3 LYS A 11 -14.084 9.674 10.531 1.00 0.00 H ATOM 164 HD2 LYS A 11 -15.949 9.647 12.352 1.00 0.00 H ATOM 165 HD3 LYS A 11 -16.977 10.326 11.068 1.00 0.00 H ATOM 166 HE2 LYS A 11 -15.345 7.803 10.703 1.00 0.00 H ATOM 167 HE3 LYS A 11 -16.664 8.419 9.679 1.00 0.00 H ATOM 168 HZ1 LYS A 11 -16.946 7.439 12.476 1.00 0.00 H ATOM 169 HZ2 LYS A 11 -18.205 8.027 11.499 1.00 0.00 H ATOM 170 HZ3 LYS A 11 -17.398 6.593 11.073 1.00 0.00 H ATOM 171 H LYS A 11 -13.453 13.562 12.797 1.00 0.00 H ATOM 172 N GLY A 12 -15.318 13.875 9.838 1.00 16.22 N ATOM 173 CA GLY A 12 -16.104 14.414 8.741 1.00 16.12 C ATOM 174 C GLY A 12 -15.284 15.305 7.822 1.00 16.64 C ATOM 175 O GLY A 12 -15.480 15.305 6.614 1.00 15.78 O ATOM 176 HA3 GLY A 12 -16.926 14.999 9.154 1.00 0.00 H ATOM 177 HA2 GLY A 12 -16.506 13.585 8.158 1.00 0.00 H ATOM 178 H GLY A 12 -15.567 14.134 10.814 1.00 0.00 H ATOM 179 N GLU A 13 -14.359 16.065 8.399 1.00 15.66 N ATOM 180 CA GLU A 13 -13.485 16.932 7.614 1.00 15.88 C ATOM 181 C GLU A 13 -12.517 16.118 6.762 1.00 16.38 C ATOM 182 O GLU A 13 -12.221 16.476 5.627 1.00 17.18 O ATOM 183 CB GLU A 13 -12.706 17.871 8.530 1.00 16.22 C ATOM 184 CG GLU A 13 -13.597 18.787 9.360 1.00 18.78 C ATOM 185 CD GLU A 13 -12.806 19.776 10.207 1.00 20.71 C ATOM 186 OE1 GLU A 13 -11.556 19.722 10.192 1.00 20.99 O ATOM 187 OE2 GLU A 13 -13.438 20.612 10.886 1.00 22.00 O ATOM 188 HA GLU A 13 -14.114 17.521 6.947 1.00 0.00 H ATOM 189 HB2 GLU A 13 -12.102 17.269 9.209 1.00 0.00 H ATOM 190 HB3 GLU A 13 -12.052 18.490 7.915 1.00 0.00 H ATOM 191 HG2 GLU A 13 -14.245 19.347 8.686 1.00 0.00 H ATOM 192 HG3 GLU A 13 -14.208 18.173 10.022 1.00 0.00 H ATOM 193 H GLU A 13 -14.255 16.042 9.434 1.00 0.00 H ATOM 194 N VAL A 14 -12.011 15.028 7.319 1.00 15.15 N ATOM 195 CA VAL A 14 -11.149 14.129 6.561 1.00 14.78 C ATOM 196 C VAL A 14 -11.926 13.516 5.402 1.00 16.31 C ATOM 197 O VAL A 14 -11.453 13.512 4.272 1.00 15.20 O ATOM 198 CB VAL A 14 -10.550 13.029 7.452 1.00 15.55 C ATOM 199 CG1 VAL A 14 -9.880 11.959 6.605 1.00 15.04 C ATOM 200 CG2 VAL A 14 -9.550 13.635 8.424 1.00 14.02 C ATOM 201 HA VAL A 14 -10.319 14.714 6.165 1.00 0.00 H ATOM 202 HB VAL A 14 -11.356 12.562 8.018 1.00 0.00 H ATOM 203 HG11 VAL A 14 -10.617 11.511 5.938 1.00 0.00 H ATOM 204 HG12 VAL A 14 -9.082 12.411 6.016 1.00 0.00 H ATOM 205 HG13 VAL A 14 -9.463 11.191 7.256 1.00 0.00 H ATOM 206 HG21 VAL A 14 -8.750 14.120 7.865 1.00 0.00 H ATOM 207 HG22 VAL A 14 -10.054 14.370 9.051 1.00 0.00 H ATOM 208 HG23 VAL A 14 -9.131 12.848 9.051 1.00 0.00 H ATOM 209 H VAL A 14 -12.232 14.810 8.312 1.00 0.00 H ATOM 210 N GLN A 15 -13.124 13.007 5.681 1.00 16.91 N ATOM 211 CA GLN A 15 -13.968 12.456 4.623 1.00 17.51 C ATOM 212 C GLN A 15 -14.220 13.498 3.542 1.00 17.60 C ATOM 213 O GLN A 15 -14.159 13.199 2.354 1.00 18.38 O ATOM 214 CB GLN A 15 -15.299 11.951 5.187 1.00 18.31 C ATOM 215 CG GLN A 15 -15.198 10.640 5.963 1.00 19.90 C ATOM 216 CD GLN A 15 -16.534 10.163 6.512 1.00 22.59 C ATOM 217 OE1 GLN A 15 -17.283 10.932 7.125 1.00 23.89 O ATOM 218 NE2 GLN A 15 -16.838 8.886 6.295 1.00 24.65 N ATOM 219 HA GLN A 15 -13.440 11.611 4.181 1.00 0.00 H ATOM 220 HB2 GLN A 15 -15.698 12.714 5.856 1.00 0.00 H ATOM 221 HB3 GLN A 15 -15.988 11.803 4.355 1.00 0.00 H ATOM 222 HG2 GLN A 15 -14.803 9.873 5.297 1.00 0.00 H ATOM 223 HG3 GLN A 15 -14.512 10.783 6.798 1.00 0.00 H ATOM 224 HE22 GLN A 15 -16.177 8.275 5.774 1.00 0.00 H ATOM 225 HE21 GLN A 15 -17.737 8.498 6.647 1.00 0.00 H ATOM 226 H GLN A 15 -13.463 13.001 6.664 1.00 0.00 H ATOM 227 N LYS A 16 -14.504 14.726 3.957 1.00 17.23 N ATOM 228 CA LYS A 16 -14.738 15.802 3.004 1.00 18.31 C ATOM 229 C LYS A 16 -13.493 16.064 2.157 1.00 17.22 C ATOM 230 O LYS A 16 -13.595 16.285 0.952 1.00 18.04 O ATOM 231 CB LYS A 16 -15.179 17.070 3.724 1.00 19.90 C ATOM 232 CG LYS A 16 -15.826 18.093 2.826 1.00 20.66 C ATOM 233 CD LYS A 16 -15.228 19.460 3.075 1.00 23.88 C ATOM 234 CE LYS A 16 -15.422 19.918 4.515 1.00 23.31 C ATOM 235 NZ LYS A 16 -16.650 20.755 4.679 1.00 26.29 N ATOM 236 HA LYS A 16 -15.540 15.492 2.334 1.00 0.00 H ATOM 237 HB2 LYS A 16 -15.894 16.793 4.499 1.00 0.00 H ATOM 238 HB3 LYS A 16 -14.302 17.525 4.186 1.00 0.00 H ATOM 239 HG2 LYS A 16 -15.664 17.813 1.785 1.00 0.00 H ATOM 240 HG3 LYS A 16 -16.896 18.125 3.029 1.00 0.00 H ATOM 241 HD2 LYS A 16 -14.160 19.421 2.859 1.00 0.00 H ATOM 242 HD3 LYS A 16 -15.706 20.179 2.410 1.00 0.00 H ATOM 243 HE2 LYS A 16 -14.554 20.504 4.818 1.00 0.00 H ATOM 244 HE3 LYS A 16 -15.507 19.040 5.155 1.00 0.00 H ATOM 245 HZ1 LYS A 16 -16.575 21.600 4.077 1.00 0.00 H ATOM 246 HZ2 LYS A 16 -17.485 20.202 4.399 1.00 0.00 H ATOM 247 HZ3 LYS A 16 -16.741 21.044 5.674 1.00 0.00 H ATOM 248 H LYS A 16 -14.560 14.923 4.977 1.00 0.00 H ATOM 249 N ALA A 17 -12.319 16.012 2.782 1.00 16.40 N ATOM 250 CA ALA A 17 -11.059 16.168 2.057 1.00 16.70 C ATOM 251 C ALA A 17 -10.804 15.019 1.093 1.00 16.32 C ATOM 252 O ALA A 17 -10.260 15.215 0.001 1.00 17.26 O ATOM 253 CB ALA A 17 -9.898 16.300 3.024 1.00 17.77 C ATOM 254 HA ALA A 17 -11.143 17.081 1.468 1.00 0.00 H ATOM 255 HB1 ALA A 17 -10.052 17.174 3.657 1.00 0.00 H ATOM 256 HB2 ALA A 17 -9.840 15.406 3.645 1.00 0.00 H ATOM 257 HB3 ALA A 17 -8.971 16.415 2.463 1.00 0.00 H ATOM 258 H ALA A 17 -12.297 15.857 3.810 1.00 0.00 H ATOM 259 N VAL A 18 -11.178 13.817 1.509 1.00 15.49 N ATOM 260 CA VAL A 18 -11.015 12.624 0.686 1.00 16.35 C ATOM 261 C VAL A 18 -11.920 12.689 -0.547 1.00 18.58 C ATOM 262 O VAL A 18 -11.554 12.222 -1.627 1.00 17.39 O ATOM 263 CB VAL A 18 -11.304 11.348 1.496 1.00 16.15 C ATOM 264 CG1 VAL A 18 -11.502 10.155 0.575 1.00 18.33 C ATOM 265 CG2 VAL A 18 -10.172 11.081 2.468 1.00 15.60 C ATOM 266 HA VAL A 18 -9.978 12.588 0.354 1.00 0.00 H ATOM 267 HB VAL A 18 -12.225 11.499 2.058 1.00 0.00 H ATOM 268 HG11 VAL A 18 -12.344 10.347 -0.090 1.00 0.00 H ATOM 269 HG12 VAL A 18 -10.599 9.999 -0.015 1.00 0.00 H ATOM 270 HG13 VAL A 18 -11.705 9.266 1.172 1.00 0.00 H ATOM 271 HG21 VAL A 18 -9.242 10.951 1.914 1.00 0.00 H ATOM 272 HG22 VAL A 18 -10.075 11.925 3.151 1.00 0.00 H ATOM 273 HG23 VAL A 18 -10.388 10.176 3.035 1.00 0.00 H ATOM 274 H VAL A 18 -11.602 13.722 2.454 1.00 0.00 H ATOM 275 N ASN A 19 -13.094 13.287 -0.378 1.00 17.45 N ATOM 276 CA ASN A 19 -14.042 13.443 -1.473 1.00 17.91 C ATOM 277 C ASN A 19 -13.561 14.441 -2.511 1.00 17.37 C ATOM 278 O ASN A 19 -13.622 14.182 -3.711 1.00 19.83 O ATOM 279 CB ASN A 19 -15.402 13.861 -0.933 1.00 19.34 C ATOM 280 CG ASN A 19 -15.907 12.921 0.136 1.00 21.31 C ATOM 281 OD1 ASN A 19 -15.338 11.846 0.350 1.00 20.57 O ATOM 282 ND2 ASN A 19 -16.984 13.313 0.813 1.00 21.99 N ATOM 283 HA ASN A 19 -14.129 12.476 -1.969 1.00 0.00 H ATOM 284 HB2 ASN A 19 -15.319 14.862 -0.510 1.00 0.00 H ATOM 285 HB3 ASN A 19 -16.117 13.874 -1.755 1.00 0.00 H ATOM 286 HD22 ASN A 19 -17.429 14.228 0.597 1.00 0.00 H ATOM 287 HD21 ASN A 19 -17.380 12.705 1.558 1.00 0.00 H ATOM 288 H ASN A 19 -13.343 13.654 0.563 1.00 0.00 H ATOM 289 N THR A 20 -13.071 15.580 -2.041 1.00 17.45 N ATOM 290 CA THR A 20 -12.455 16.571 -2.917 1.00 18.40 C ATOM 291 C THR A 20 -11.235 16.001 -3.645 1.00 18.64 C ATOM 292 O THR A 20 -11.091 16.163 -4.860 1.00 18.24 O ATOM 293 CB THR A 20 -12.044 17.812 -2.120 1.00 17.58 C ATOM 294 OG1 THR A 20 -13.225 18.488 -1.671 1.00 18.72 O ATOM 295 CG2 THR A 20 -11.199 18.754 -2.973 1.00 17.51 C ATOM 296 HA THR A 20 -13.199 16.850 -3.663 1.00 0.00 H ATOM 297 HB THR A 20 -11.443 17.501 -1.265 1.00 0.00 H ATOM 298 HG1 THR A 20 -12.967 19.292 -1.154 1.00 0.00 H ATOM 299 HG23 THR A 20 -10.303 18.232 -3.310 1.00 0.00 H ATOM 300 HG21 THR A 20 -11.779 19.078 -3.837 1.00 0.00 H ATOM 301 HG22 THR A 20 -10.913 19.622 -2.379 1.00 0.00 H ATOM 302 H THR A 20 -13.127 15.772 -1.020 1.00 0.00 H ATOM 303 N ALA A 21 -10.363 15.327 -2.901 1.00 17.75 N ATOM 304 CA ALA A 21 -9.189 14.703 -3.495 1.00 18.50 C ATOM 305 C ALA A 21 -9.598 13.748 -4.608 1.00 17.98 C ATOM 306 O ALA A 21 -9.003 13.746 -5.684 1.00 17.60 O ATOM 307 CB ALA A 21 -8.375 13.969 -2.435 1.00 17.48 C ATOM 308 HA ALA A 21 -8.565 15.487 -3.924 1.00 0.00 H ATOM 309 HB1 ALA A 21 -8.051 14.677 -1.673 1.00 0.00 H ATOM 310 HB2 ALA A 21 -8.991 13.196 -1.976 1.00 0.00 H ATOM 311 HB3 ALA A 21 -7.503 13.511 -2.901 1.00 0.00 H ATOM 312 H ALA A 21 -10.522 15.244 -1.877 1.00 0.00 H ATOM 313 N GLN A 22 -10.610 12.929 -4.345 1.00 17.49 N ATOM 314 CA GLN A 22 -11.080 11.979 -5.347 1.00 19.62 C ATOM 315 C GLN A 22 -11.529 12.678 -6.636 1.00 19.40 C ATOM 316 O GLN A 22 -11.181 12.251 -7.733 1.00 20.25 O ATOM 317 CB GLN A 22 -12.160 11.048 -4.768 1.00 19.74 C ATOM 318 CG GLN A 22 -11.554 9.826 -4.074 1.00 21.42 C ATOM 319 CD GLN A 22 -12.536 9.026 -3.226 1.00 24.35 C ATOM 320 OE1 GLN A 22 -13.670 9.451 -2.976 1.00 26.14 O ATOM 321 NE2 GLN A 22 -12.096 7.855 -2.771 1.00 25.20 N ATOM 322 HA GLN A 22 -10.236 11.349 -5.627 1.00 0.00 H ATOM 323 HB2 GLN A 22 -12.754 11.606 -4.044 1.00 0.00 H ATOM 324 HB3 GLN A 22 -12.804 10.709 -5.579 1.00 0.00 H ATOM 325 HG2 GLN A 22 -11.149 9.165 -4.841 1.00 0.00 H ATOM 326 HG3 GLN A 22 -10.746 10.168 -3.427 1.00 0.00 H ATOM 327 HE22 GLN A 22 -11.135 7.534 -3.005 1.00 0.00 H ATOM 328 HE21 GLN A 22 -12.714 7.261 -2.182 1.00 0.00 H ATOM 329 H GLN A 22 -11.072 12.965 -3.414 1.00 0.00 H ATOM 330 N GLY A 23 -12.272 13.768 -6.502 1.00 20.75 N ATOM 331 CA GLY A 23 -12.671 14.554 -7.655 1.00 20.01 C ATOM 332 C GLY A 23 -11.485 15.127 -8.411 1.00 19.83 C ATOM 333 O GLY A 23 -11.512 15.229 -9.636 1.00 20.68 O ATOM 334 HA3 GLY A 23 -13.300 15.377 -7.316 1.00 0.00 H ATOM 335 HA2 GLY A 23 -13.242 13.917 -8.331 1.00 0.00 H ATOM 336 H GLY A 23 -12.575 14.065 -5.553 1.00 0.00 H ATOM 337 N LEU A 24 -10.440 15.498 -7.677 1.00 18.86 N ATOM 338 CA LEU A 24 -9.217 16.035 -8.269 1.00 18.07 C ATOM 339 C LEU A 24 -8.430 14.949 -8.998 1.00 19.80 C ATOM 340 O LEU A 24 -7.831 15.200 -10.041 1.00 20.33 O ATOM 341 CB LEU A 24 -8.341 16.644 -7.178 1.00 17.89 C ATOM 342 CG LEU A 24 -8.084 18.151 -7.121 1.00 18.90 C ATOM 343 CD1 LEU A 24 -9.072 18.941 -7.955 1.00 18.31 C ATOM 344 CD2 LEU A 24 -8.085 18.615 -5.673 1.00 16.93 C ATOM 345 HA LEU A 24 -9.501 16.800 -8.992 1.00 0.00 H ATOM 346 HB2 LEU A 24 -8.797 16.371 -6.226 1.00 0.00 H ATOM 347 HB3 LEU A 24 -7.365 16.166 -7.262 1.00 0.00 H ATOM 348 HG LEU A 24 -7.103 18.340 -7.557 1.00 0.00 H ATOM 349 HD21 LEU A 24 -9.053 18.395 -5.223 1.00 0.00 H ATOM 350 HD22 LEU A 24 -7.301 18.093 -5.125 1.00 0.00 H ATOM 351 HD23 LEU A 24 -7.902 19.689 -5.637 1.00 0.00 H ATOM 352 HD11 LEU A 24 -8.999 18.627 -8.996 1.00 0.00 H ATOM 353 HD12 LEU A 24 -10.082 18.758 -7.589 1.00 0.00 H ATOM 354 HD13 LEU A 24 -8.843 20.004 -7.878 1.00 0.00 H ATOM 355 H LEU A 24 -10.495 15.402 -6.643 1.00 0.00 H ATOM 356 N PHE A 25 -8.427 13.747 -8.433 1.00 18.49 N ATOM 357 CA PHE A 25 -7.688 12.624 -9.002 1.00 19.96 C ATOM 358 C PHE A 25 -8.299 12.159 -10.314 1.00 20.56 C ATOM 359 O PHE A 25 -7.584 11.815 -11.250 1.00 20.82 O ATOM 360 CB PHE A 25 -7.639 11.458 -8.013 1.00 20.16 C ATOM 361 CG PHE A 25 -7.069 10.194 -8.594 1.00 20.61 C ATOM 362 CD1 PHE A 25 -5.698 10.018 -8.699 1.00 21.36 C ATOM 363 CD2 PHE A 25 -7.903 9.179 -9.035 1.00 22.04 C ATOM 364 CE1 PHE A 25 -5.171 8.857 -9.234 1.00 20.72 C ATOM 365 CE2 PHE A 25 -7.380 8.016 -9.573 1.00 20.48 C ATOM 366 CZ PHE A 25 -6.015 7.856 -9.673 1.00 19.55 C ATOM 367 HA PHE A 25 -6.674 12.970 -9.202 1.00 0.00 H ATOM 368 HB2 PHE A 25 -7.024 11.754 -7.163 1.00 0.00 H ATOM 369 HB3 PHE A 25 -8.654 11.253 -7.672 1.00 0.00 H ATOM 370 HD2 PHE A 25 -8.984 9.298 -8.957 1.00 0.00 H ATOM 371 HE2 PHE A 25 -8.048 7.227 -9.918 1.00 0.00 H ATOM 372 HZ PHE A 25 -5.602 6.941 -10.098 1.00 0.00 H ATOM 373 HE1 PHE A 25 -4.091 8.732 -9.309 1.00 0.00 H ATOM 374 HD1 PHE A 25 -5.027 10.805 -8.355 1.00 0.00 H ATOM 375 H PHE A 25 -8.968 13.601 -7.557 1.00 0.00 H ATOM 376 N GLN A 26 -9.626 12.139 -10.371 1.00 20.68 N ATOM 377 CA GLN A 26 -10.333 11.758 -11.587 1.00 21.76 C ATOM 378 C GLN A 26 -10.051 12.795 -12.673 1.00 23.85 C ATOM 379 O GLN A 26 -9.926 12.467 -13.853 1.00 24.36 O ATOM 380 CB GLN A 26 -11.834 11.653 -11.315 1.00 23.45 C ATOM 381 CG GLN A 26 -12.647 11.205 -12.514 1.00 27.84 C ATOM 382 CD GLN A 26 -14.127 11.506 -12.363 1.00 30.41 C ATOM 383 OE1 GLN A 26 -14.621 11.701 -11.254 1.00 32.34 O ATOM 384 NE2 GLN A 26 -14.842 11.552 -13.487 1.00 32.13 N ATOM 385 HA GLN A 26 -9.984 10.782 -11.925 1.00 0.00 H ATOM 386 HB2 GLN A 26 -11.987 10.936 -10.509 1.00 0.00 H ATOM 387 HB3 GLN A 26 -12.195 12.632 -11.002 1.00 0.00 H ATOM 388 HG2 GLN A 26 -12.275 11.719 -13.400 1.00 0.00 H ATOM 389 HG3 GLN A 26 -12.520 10.130 -12.640 1.00 0.00 H ATOM 390 HE22 GLN A 26 -14.382 11.380 -14.404 1.00 0.00 H ATOM 391 HE21 GLN A 26 -15.860 11.760 -13.447 1.00 0.00 H ATOM 392 H GLN A 26 -10.174 12.402 -9.527 1.00 0.00 H ATOM 393 N ARG A 27 -9.939 14.052 -12.258 1.00 23.03 N ATOM 394 CA ARG A 27 -9.556 15.130 -13.158 1.00 22.14 C ATOM 395 C ARG A 27 -8.137 14.903 -13.678 1.00 23.28 C ATOM 396 O ARG A 27 -7.894 14.917 -14.883 1.00 26.14 O ATOM 397 CB ARG A 27 -9.626 16.466 -12.428 1.00 21.94 C ATOM 398 CG ARG A 27 -9.328 17.665 -13.302 1.00 23.53 C ATOM 399 CD ARG A 27 -10.544 18.089 -14.114 1.00 24.29 C ATOM 400 NE ARG A 27 -10.810 17.211 -15.250 1.00 26.83 N ATOM 401 CZ ARG A 27 -10.659 17.563 -16.525 1.00 25.75 C ATOM 402 NH1 ARG A 27 -10.242 18.781 -16.842 1.00 23.76 N ATOM 403 NH2 ARG A 27 -10.931 16.690 -17.486 1.00 26.96 N ATOM 404 HA ARG A 27 -10.246 15.144 -14.001 1.00 0.00 H ATOM 405 HB2 ARG A 27 -10.630 16.581 -12.020 1.00 0.00 H ATOM 406 HB3 ARG A 27 -8.903 16.449 -11.612 1.00 0.00 H ATOM 407 HG2 ARG A 27 -9.019 18.496 -12.668 1.00 0.00 H ATOM 408 HG3 ARG A 27 -8.518 17.411 -13.986 1.00 0.00 H ATOM 409 HD2 ARG A 27 -10.377 19.099 -14.488 1.00 0.00 H ATOM 410 HD3 ARG A 27 -11.416 18.085 -13.460 1.00 0.00 H ATOM 411 HE ARG A 27 -11.140 16.245 -15.049 1.00 0.00 H ATOM 412 HH12 ARG A 27 -10.127 19.048 -17.841 1.00 0.00 H ATOM 413 HH11 ARG A 27 -10.030 19.470 -16.092 1.00 0.00 H ATOM 414 HH22 ARG A 27 -10.814 16.961 -18.483 1.00 0.00 H ATOM 415 HH21 ARG A 27 -11.261 15.734 -17.242 1.00 0.00 H ATOM 416 H ARG A 27 -10.131 14.273 -11.260 1.00 0.00 H ATOM 417 N TRP A 28 -7.204 14.693 -12.757 1.00 22.45 N ATOM 418 CA TRP A 28 -5.815 14.421 -13.098 1.00 21.14 C ATOM 419 C TRP A 28 -5.704 13.296 -14.123 1.00 24.19 C ATOM 420 O TRP A 28 -4.931 13.377 -15.076 1.00 23.47 O ATOM 421 CB TRP A 28 -5.030 14.049 -11.837 1.00 20.57 C ATOM 422 CG TRP A 28 -3.570 13.814 -12.085 1.00 22.01 C ATOM 423 CD1 TRP A 28 -2.611 14.765 -12.266 1.00 22.38 C ATOM 424 CD2 TRP A 28 -2.901 12.547 -12.173 1.00 22.49 C ATOM 425 NE1 TRP A 28 -1.387 14.172 -12.471 1.00 23.86 N ATOM 426 CE2 TRP A 28 -1.538 12.811 -12.415 1.00 23.30 C ATOM 427 CE3 TRP A 28 -3.322 11.218 -12.077 1.00 21.89 C ATOM 428 CZ2 TRP A 28 -0.594 11.796 -12.562 1.00 23.63 C ATOM 429 CZ3 TRP A 28 -2.385 10.213 -12.225 1.00 22.82 C ATOM 430 CH2 TRP A 28 -1.037 10.506 -12.463 1.00 23.66 C ATOM 431 HA TRP A 28 -5.395 15.325 -13.538 1.00 0.00 H ATOM 432 HB2 TRP A 28 -5.131 14.860 -11.116 1.00 0.00 H ATOM 433 HB3 TRP A 28 -5.460 13.138 -11.420 1.00 0.00 H ATOM 434 HE1 TRP A 28 -0.493 14.675 -12.641 1.00 0.00 H ATOM 435 HD1 TRP A 28 -2.788 15.840 -12.251 1.00 0.00 H ATOM 436 HZ2 TRP A 28 0.456 12.022 -12.749 1.00 0.00 H ATOM 437 HH2 TRP A 28 -0.325 9.688 -12.572 1.00 0.00 H ATOM 438 HZ3 TRP A 28 -2.702 9.172 -12.155 1.00 0.00 H ATOM 439 HE3 TRP A 28 -4.369 10.979 -11.889 1.00 0.00 H ATOM 440 H TRP A 28 -7.476 14.724 -11.754 1.00 0.00 H ATOM 441 N THR A 29 -6.479 12.240 -13.910 1.00 24.23 N ATOM 442 CA THR A 29 -6.474 11.088 -14.794 1.00 24.75 C ATOM 443 C THR A 29 -6.915 11.482 -16.194 1.00 26.25 C ATOM 444 O THR A 29 -6.262 11.142 -17.185 1.00 26.66 O ATOM 445 CB THR A 29 -7.405 9.988 -14.263 1.00 25.29 C ATOM 446 OG1 THR A 29 -6.831 9.418 -13.083 1.00 24.70 O ATOM 447 CG2 THR A 29 -7.586 8.892 -15.297 1.00 24.32 C ATOM 448 HA THR A 29 -5.454 10.707 -14.832 1.00 0.00 H ATOM 449 HB THR A 29 -8.376 10.430 -14.042 1.00 0.00 H ATOM 450 HG1 THR A 29 -7.428 8.708 -12.737 1.00 0.00 H ATOM 451 HG23 THR A 29 -8.023 9.316 -16.201 1.00 0.00 H ATOM 452 HG21 THR A 29 -6.617 8.452 -15.532 1.00 0.00 H ATOM 453 HG22 THR A 29 -8.248 8.123 -14.898 1.00 0.00 H ATOM 454 H THR A 29 -7.110 12.237 -13.083 1.00 0.00 H ATOM 455 N GLU A 30 -8.024 12.207 -16.265 1.00 27.33 N ATOM 456 CA GLU A 30 -8.574 12.641 -17.545 1.00 27.81 C ATOM 457 C GLU A 30 -7.641 13.593 -18.306 1.00 28.21 C ATOM 458 O GLU A 30 -7.610 13.584 -19.538 1.00 30.31 O ATOM 459 CB GLU A 30 -9.981 13.218 -17.351 1.00 26.09 C ATOM 460 CG GLU A 30 -11.015 12.124 -17.104 1.00 26.99 C ATOM 461 CD GLU A 30 -12.216 12.579 -16.293 1.00 29.07 C ATOM 462 OE1 GLU A 30 -12.248 13.750 -15.856 1.00 29.15 O ATOM 463 OE2 GLU A 30 -13.136 11.753 -16.090 1.00 32.48 O ATOM 464 HA GLU A 30 -8.658 11.762 -18.184 1.00 0.00 H ATOM 465 HB2 GLU A 30 -9.971 13.893 -16.495 1.00 0.00 H ATOM 466 HB3 GLU A 30 -10.261 13.773 -18.246 1.00 0.00 H ATOM 467 HG2 GLU A 30 -11.370 11.764 -18.069 1.00 0.00 H ATOM 468 HG3 GLU A 30 -10.529 11.308 -16.569 1.00 0.00 H ATOM 469 H GLU A 30 -8.513 12.473 -15.387 1.00 0.00 H ATOM 470 N LEU A 31 -6.870 14.392 -17.571 1.00 26.98 N ATOM 471 CA LEU A 31 -5.850 15.253 -18.170 1.00 28.04 C ATOM 472 C LEU A 31 -4.636 14.458 -18.657 1.00 28.13 C ATOM 473 O LEU A 31 -4.240 14.561 -19.816 1.00 28.24 O ATOM 474 CB LEU A 31 -5.388 16.325 -17.174 1.00 25.82 C ATOM 475 CG LEU A 31 -6.381 17.438 -16.838 1.00 24.25 C ATOM 476 CD1 LEU A 31 -5.921 18.223 -15.626 1.00 21.16 C ATOM 477 CD2 LEU A 31 -6.581 18.361 -18.032 1.00 25.46 C ATOM 478 HA LEU A 31 -6.313 15.730 -19.034 1.00 0.00 H ATOM 479 HB2 LEU A 31 -5.133 15.820 -16.242 1.00 0.00 H ATOM 480 HB3 LEU A 31 -4.495 16.795 -17.587 1.00 0.00 H ATOM 481 HG LEU A 31 -7.339 16.976 -16.600 1.00 0.00 H ATOM 482 HD21 LEU A 31 -5.627 18.811 -18.306 1.00 0.00 H ATOM 483 HD22 LEU A 31 -6.968 17.786 -18.873 1.00 0.00 H ATOM 484 HD23 LEU A 31 -7.291 19.145 -17.769 1.00 0.00 H ATOM 485 HD11 LEU A 31 -5.841 17.553 -14.770 1.00 0.00 H ATOM 486 HD12 LEU A 31 -4.948 18.670 -15.832 1.00 0.00 H ATOM 487 HD13 LEU A 31 -6.644 19.009 -15.408 1.00 0.00 H ATOM 488 H LEU A 31 -6.997 14.404 -16.539 1.00 0.00 H ATOM 489 N LEU A 32 -4.044 13.673 -17.763 1.00 27.07 N ATOM 490 CA LEU A 32 -2.826 12.932 -18.087 1.00 28.48 C ATOM 491 C LEU A 32 -3.046 11.878 -19.170 1.00 29.96 C ATOM 492 O LEU A 32 -2.085 11.373 -19.755 1.00 30.86 O ATOM 493 CB LEU A 32 -2.220 12.294 -16.830 1.00 25.81 C ATOM 494 CG LEU A 32 -1.273 13.167 -15.990 1.00 28.15 C ATOM 495 CD1 LEU A 32 -0.001 13.497 -16.765 1.00 27.14 C ATOM 496 CD2 LEU A 32 -1.940 14.450 -15.508 1.00 23.93 C ATOM 497 HA LEU A 32 -2.120 13.659 -18.489 1.00 0.00 H ATOM 498 HB2 LEU A 32 -3.045 11.989 -16.186 1.00 0.00 H ATOM 499 HB3 LEU A 32 -1.662 11.412 -17.145 1.00 0.00 H ATOM 500 HG LEU A 32 -1.011 12.582 -15.109 1.00 0.00 H ATOM 501 HD21 LEU A 32 -2.264 15.035 -16.369 1.00 0.00 H ATOM 502 HD22 LEU A 32 -2.804 14.200 -14.892 1.00 0.00 H ATOM 503 HD23 LEU A 32 -1.228 15.029 -14.920 1.00 0.00 H ATOM 504 HD11 LEU A 32 0.514 12.573 -17.026 1.00 0.00 H ATOM 505 HD12 LEU A 32 -0.261 14.038 -17.675 1.00 0.00 H ATOM 506 HD13 LEU A 32 0.650 14.115 -16.146 1.00 0.00 H ATOM 507 H LEU A 32 -4.456 13.584 -16.812 1.00 0.00 H ATOM 508 N GLN A 33 -4.310 11.554 -19.442 1.00 30.70 N ATOM 509 CA GLN A 33 -4.634 10.565 -20.469 1.00 31.55 C ATOM 510 C GLN A 33 -4.784 11.198 -21.849 1.00 32.33 C ATOM 511 O GLN A 33 -4.418 10.592 -22.857 1.00 34.69 O ATOM 512 CB GLN A 33 -5.880 9.752 -20.098 1.00 32.23 C ATOM 513 CG GLN A 33 -7.212 10.481 -20.224 1.00 31.87 C ATOM 514 CD GLN A 33 -8.389 9.593 -19.833 1.00 33.38 C ATOM 515 OE1 GLN A 33 -9.522 9.795 -20.283 1.00 33.19 O ATOM 516 NE2 GLN A 33 -8.121 8.603 -18.986 1.00 30.32 N ATOM 517 HA GLN A 33 -3.789 9.878 -20.518 1.00 0.00 H ATOM 518 HB2 GLN A 33 -5.915 8.878 -20.748 1.00 0.00 H ATOM 519 HB3 GLN A 33 -5.772 9.429 -19.063 1.00 0.00 H ATOM 520 HG2 GLN A 33 -7.198 11.355 -19.572 1.00 0.00 H ATOM 521 HG3 GLN A 33 -7.341 10.802 -21.258 1.00 0.00 H ATOM 522 HE22 GLN A 33 -7.152 8.469 -18.632 1.00 0.00 H ATOM 523 HE21 GLN A 33 -8.880 7.963 -18.678 1.00 0.00 H ATOM 524 H GLN A 33 -5.080 12.013 -18.914 1.00 0.00 H ATOM 525 N ASP A 34 -5.308 12.418 -21.899 1.00 33.20 N ATOM 526 CA ASP A 34 -5.426 13.119 -23.174 1.00 34.32 C ATOM 527 C ASP A 34 -4.847 14.533 -23.134 1.00 33.54 C ATOM 528 O ASP A 34 -5.526 15.486 -22.737 1.00 33.65 O ATOM 529 CB ASP A 34 -6.878 13.130 -23.676 1.00 35.97 C ATOM 530 CG ASP A 34 -6.987 13.474 -25.161 1.00 32.42 C ATOM 531 OD1 ASP A 34 -5.960 13.413 -25.874 1.00 32.38 O ATOM 532 OD2 ASP A 34 -8.105 13.800 -25.611 1.00 30.06 O ATOM 533 HA ASP A 34 -4.822 12.557 -23.886 1.00 0.00 H ATOM 534 HB2 ASP A 34 -7.311 12.143 -23.514 1.00 0.00 H ATOM 535 HB3 ASP A 34 -7.439 13.869 -23.105 1.00 0.00 H ATOM 536 H ASP A 34 -5.636 12.876 -21.025 1.00 0.00 H ATOM 537 N PRO A 35 -3.574 14.655 -23.536 1.00 33.61 N ATOM 538 CA PRO A 35 -2.856 15.907 -23.795 1.00 32.33 C ATOM 539 C PRO A 35 -3.415 16.663 -25.003 1.00 34.20 C ATOM 540 O PRO A 35 -2.661 17.313 -25.728 1.00 36.19 O ATOM 541 CB PRO A 35 -1.431 15.434 -24.092 1.00 34.60 C ATOM 542 CG PRO A 35 -1.322 14.114 -23.406 1.00 33.32 C ATOM 543 CD PRO A 35 -2.670 13.491 -23.557 1.00 33.31 C ATOM 544 HA PRO A 35 -2.935 16.601 -22.958 1.00 0.00 H ATOM 545 HD3 PRO A 35 -2.749 12.950 -24.500 1.00 0.00 H ATOM 546 HD2 PRO A 35 -2.884 12.813 -22.731 1.00 0.00 H ATOM 547 HG3 PRO A 35 -1.077 14.248 -22.352 1.00 0.00 H ATOM 548 HG2 PRO A 35 -0.559 13.497 -23.880 1.00 0.00 H ATOM 549 HB2 PRO A 35 -1.278 15.324 -25.166 1.00 0.00 H ATOM 550 HB3 PRO A 35 -0.701 16.137 -23.692 1.00 0.00 H ATOM 551 N SER A 36 -4.722 16.561 -25.221 1.00 34.56 N ATOM 552 CA SER A 36 -5.405 17.415 -26.183 1.00 33.57 C ATOM 553 C SER A 36 -5.886 18.653 -25.447 1.00 33.85 C ATOM 554 O SER A 36 -5.701 19.780 -25.901 1.00 36.74 O ATOM 555 CB SER A 36 -6.602 16.689 -26.796 1.00 33.74 C ATOM 556 OG SER A 36 -6.227 15.910 -27.916 1.00 34.66 O ATOM 557 HA SER A 36 -4.721 17.682 -26.989 1.00 0.00 H ATOM 558 HB2 SER A 36 -7.340 17.427 -27.110 1.00 0.00 H ATOM 559 HB3 SER A 36 -7.042 16.036 -26.043 1.00 0.00 H ATOM 560 HG SER A 36 -5.832 16.498 -28.608 1.00 0.00 H ATOM 561 H SER A 36 -5.271 15.854 -24.692 1.00 0.00 H ATOM 562 N THR A 37 -6.509 18.422 -24.298 1.00 35.23 N ATOM 563 CA THR A 37 -6.991 19.491 -23.433 1.00 35.36 C ATOM 564 C THR A 37 -5.981 19.788 -22.322 1.00 32.89 C ATOM 565 O THR A 37 -5.988 20.864 -21.725 1.00 33.47 O ATOM 566 CB THR A 37 -8.352 19.103 -22.808 1.00 37.12 C ATOM 567 OG1 THR A 37 -9.396 19.302 -23.771 1.00 37.74 O ATOM 568 CG2 THR A 37 -8.647 19.927 -21.562 1.00 33.45 C ATOM 569 HA THR A 37 -7.117 20.387 -24.041 1.00 0.00 H ATOM 570 HB THR A 37 -8.305 18.053 -22.518 1.00 0.00 H ATOM 571 HG1 THR A 37 -10.266 19.053 -23.369 1.00 0.00 H ATOM 572 HG23 THR A 37 -7.853 19.775 -20.831 1.00 0.00 H ATOM 573 HG21 THR A 37 -8.699 20.982 -21.830 1.00 0.00 H ATOM 574 HG22 THR A 37 -9.600 19.612 -21.136 1.00 0.00 H ATOM 575 H THR A 37 -6.660 17.436 -24.003 1.00 0.00 H ATOM 576 N ALA A 38 -5.093 18.833 -22.071 1.00 34.21 N ATOM 577 CA ALA A 38 -4.220 18.873 -20.902 1.00 30.24 C ATOM 578 C ALA A 38 -3.078 19.880 -21.000 1.00 28.32 C ATOM 579 O ALA A 38 -1.948 19.524 -21.343 1.00 28.08 O ATOM 580 CB ALA A 38 -3.675 17.486 -20.615 1.00 30.18 C ATOM 581 HA ALA A 38 -4.843 19.217 -20.076 1.00 0.00 H ATOM 582 HB1 ALA A 38 -4.503 16.804 -20.422 1.00 0.00 H ATOM 583 HB2 ALA A 38 -3.107 17.135 -21.476 1.00 0.00 H ATOM 584 HB3 ALA A 38 -3.025 17.526 -19.741 1.00 0.00 H ATOM 585 H ALA A 38 -5.017 18.031 -22.729 1.00 0.00 H ATOM 586 N THR A 39 -3.371 21.133 -20.672 1.00 25.96 N ATOM 587 CA THR A 39 -2.333 22.147 -20.635 1.00 24.32 C ATOM 588 C THR A 39 -1.503 21.963 -19.375 1.00 21.18 C ATOM 589 O THR A 39 -1.991 21.435 -18.376 1.00 20.81 O ATOM 590 CB THR A 39 -2.912 23.566 -20.706 1.00 23.56 C ATOM 591 OG1 THR A 39 -1.968 24.427 -21.354 1.00 26.44 O ATOM 592 CG2 THR A 39 -3.229 24.100 -19.309 1.00 22.42 C ATOM 593 HA THR A 39 -1.699 22.025 -21.513 1.00 0.00 H ATOM 594 HB THR A 39 -3.841 23.538 -21.275 1.00 0.00 H ATOM 595 HG1 THR A 39 -1.792 24.093 -22.269 1.00 0.00 H ATOM 596 HG23 THR A 39 -3.947 23.440 -18.823 1.00 0.00 H ATOM 597 HG21 THR A 39 -2.313 24.139 -18.720 1.00 0.00 H ATOM 598 HG22 THR A 39 -3.652 25.101 -19.391 1.00 0.00 H ATOM 599 H THR A 39 -4.352 21.390 -20.440 1.00 0.00 H ATOM 600 N ARG A 40 -0.241 22.375 -19.440 1.00 20.50 N ATOM 601 CA ARG A 40 0.715 22.182 -18.354 1.00 19.44 C ATOM 602 C ARG A 40 0.258 22.870 -17.068 1.00 19.03 C ATOM 603 O ARG A 40 0.291 22.280 -15.987 1.00 16.84 O ATOM 604 CB ARG A 40 2.085 22.712 -18.778 1.00 19.41 C ATOM 605 CG ARG A 40 3.185 22.560 -17.747 1.00 19.04 C ATOM 606 CD ARG A 40 4.454 23.273 -18.198 1.00 20.02 C ATOM 607 NE ARG A 40 4.194 24.685 -18.455 1.00 18.99 N ATOM 608 CZ ARG A 40 4.180 25.624 -17.514 1.00 18.10 C ATOM 609 NH1 ARG A 40 3.924 26.883 -17.835 1.00 15.69 N ATOM 610 NH2 ARG A 40 4.422 25.300 -16.250 1.00 19.15 N ATOM 611 HA ARG A 40 0.782 21.114 -18.147 1.00 0.00 H ATOM 612 HB2 ARG A 40 2.390 22.177 -19.678 1.00 0.00 H ATOM 613 HB3 ARG A 40 1.980 23.773 -19.006 1.00 0.00 H ATOM 614 HG2 ARG A 40 2.851 22.989 -16.802 1.00 0.00 H ATOM 615 HG3 ARG A 40 3.401 21.501 -17.608 1.00 0.00 H ATOM 616 HD2 ARG A 40 4.821 22.805 -19.112 1.00 0.00 H ATOM 617 HD3 ARG A 40 5.210 23.185 -17.417 1.00 0.00 H ATOM 618 HE ARG A 40 4.008 24.976 -19.436 1.00 0.00 H ATOM 619 HH12 ARG A 40 3.914 27.616 -17.097 1.00 0.00 H ATOM 620 HH11 ARG A 40 3.733 27.139 -18.825 1.00 0.00 H ATOM 621 HH22 ARG A 40 4.411 26.034 -15.514 1.00 0.00 H ATOM 622 HH21 ARG A 40 4.623 24.312 -15.996 1.00 0.00 H ATOM 623 H ARG A 40 0.080 22.857 -20.304 1.00 0.00 H ATOM 624 N GLU A 41 -0.177 24.117 -17.193 1.00 17.77 N ATOM 625 CA GLU A 41 -0.600 24.887 -16.029 1.00 17.56 C ATOM 626 C GLU A 41 -1.745 24.201 -15.287 1.00 16.81 C ATOM 627 O GLU A 41 -1.724 24.095 -14.064 1.00 16.97 O ATOM 628 CB GLU A 41 -0.958 26.326 -16.428 1.00 16.32 C ATOM 629 CG GLU A 41 0.267 27.142 -16.822 1.00 16.30 C ATOM 630 CD GLU A 41 -0.053 28.553 -17.290 1.00 17.61 C ATOM 631 OE1 GLU A 41 -1.040 29.158 -16.806 1.00 15.49 O ATOM 632 OE2 GLU A 41 0.696 29.062 -18.152 1.00 17.36 O ATOM 633 HA GLU A 41 0.240 24.936 -15.336 1.00 0.00 H ATOM 634 HB2 GLU A 41 -1.645 26.294 -17.274 1.00 0.00 H ATOM 635 HB3 GLU A 41 -1.446 26.812 -15.583 1.00 0.00 H ATOM 636 HG2 GLU A 41 0.927 27.209 -15.957 1.00 0.00 H ATOM 637 HG3 GLU A 41 0.781 26.621 -17.630 1.00 0.00 H ATOM 638 H GLU A 41 -0.217 24.553 -18.137 1.00 0.00 H ATOM 639 N GLU A 42 -2.733 23.721 -16.034 1.00 16.85 N ATOM 640 CA GLU A 42 -3.891 23.073 -15.442 1.00 16.88 C ATOM 641 C GLU A 42 -3.483 21.757 -14.787 1.00 17.40 C ATOM 642 O GLU A 42 -3.936 21.435 -13.692 1.00 17.03 O ATOM 643 CB GLU A 42 -4.958 22.830 -16.507 1.00 19.14 C ATOM 644 CG GLU A 42 -6.302 22.387 -15.954 1.00 21.28 C ATOM 645 CD GLU A 42 -7.268 21.961 -17.048 1.00 22.74 C ATOM 646 OE1 GLU A 42 -6.901 22.072 -18.238 1.00 21.07 O ATOM 647 OE2 GLU A 42 -8.390 21.516 -16.713 1.00 24.73 O ATOM 648 HA GLU A 42 -4.306 23.727 -14.675 1.00 0.00 H ATOM 649 HB2 GLU A 42 -5.105 23.757 -17.061 1.00 0.00 H ATOM 650 HB3 GLU A 42 -4.595 22.057 -17.184 1.00 0.00 H ATOM 651 HG2 GLU A 42 -6.143 21.545 -15.280 1.00 0.00 H ATOM 652 HG3 GLU A 42 -6.743 23.216 -15.400 1.00 0.00 H ATOM 653 H GLU A 42 -2.676 23.811 -17.069 1.00 0.00 H ATOM 654 N ILE A 43 -2.625 20.999 -15.463 1.00 16.63 N ATOM 655 CA ILE A 43 -2.100 19.763 -14.895 1.00 16.87 C ATOM 656 C ILE A 43 -1.334 20.059 -13.609 1.00 17.40 C ATOM 657 O ILE A 43 -1.575 19.429 -12.580 1.00 18.25 O ATOM 658 CB ILE A 43 -1.189 19.017 -15.885 1.00 17.97 C ATOM 659 CG1 ILE A 43 -1.994 18.526 -17.088 1.00 20.99 C ATOM 660 CG2 ILE A 43 -0.515 17.835 -15.198 1.00 21.00 C ATOM 661 CD1 ILE A 43 -1.183 17.730 -18.108 1.00 22.34 C ATOM 662 HA ILE A 43 -2.951 19.118 -14.675 1.00 0.00 H ATOM 663 HB ILE A 43 -0.423 19.710 -16.233 1.00 0.00 H ATOM 664 HG12 ILE A 43 -2.800 17.890 -16.722 1.00 0.00 H ATOM 665 HG13 ILE A 43 -2.418 19.394 -17.592 1.00 0.00 H ATOM 666 HD11 ILE A 43 -0.378 18.354 -18.497 1.00 0.00 H ATOM 667 HD12 ILE A 43 -0.761 16.848 -17.626 1.00 0.00 H ATOM 668 HD13 ILE A 43 -1.833 17.422 -18.927 1.00 0.00 H ATOM 669 HG21 ILE A 43 0.086 18.196 -14.364 1.00 0.00 H ATOM 670 HG22 ILE A 43 -1.277 17.149 -14.828 1.00 0.00 H ATOM 671 HG23 ILE A 43 0.126 17.318 -15.912 1.00 0.00 H ATOM 672 H ILE A 43 -2.323 21.293 -16.414 1.00 0.00 H ATOM 673 N ASP A 44 -0.418 21.023 -13.663 1.00 16.29 N ATOM 674 CA ASP A 44 0.332 21.425 -12.475 1.00 17.66 C ATOM 675 C ASP A 44 -0.589 21.825 -11.319 1.00 17.84 C ATOM 676 O ASP A 44 -0.393 21.391 -10.182 1.00 16.36 O ATOM 677 CB ASP A 44 1.279 22.583 -12.790 1.00 19.54 C ATOM 678 CG ASP A 44 2.469 22.161 -13.627 1.00 19.76 C ATOM 679 OD1 ASP A 44 2.708 20.941 -13.773 1.00 21.72 O ATOM 680 OD2 ASP A 44 3.172 23.058 -14.132 1.00 19.36 O ATOM 681 HA ASP A 44 0.911 20.555 -12.166 1.00 0.00 H ATOM 682 HB2 ASP A 44 0.725 23.348 -13.334 1.00 0.00 H ATOM 683 HB3 ASP A 44 1.644 22.999 -11.851 1.00 0.00 H ATOM 684 H ASP A 44 -0.232 21.500 -14.569 1.00 0.00 H ATOM 685 N TRP A 45 -1.588 22.656 -11.609 1.00 17.38 N ATOM 686 CA TRP A 45 -2.522 23.103 -10.577 1.00 16.61 C ATOM 687 C TRP A 45 -3.280 21.951 -9.932 1.00 17.13 C ATOM 688 O TRP A 45 -3.463 21.925 -8.712 1.00 16.71 O ATOM 689 CB TRP A 45 -3.536 24.099 -11.133 1.00 17.08 C ATOM 690 CG TRP A 45 -4.435 24.640 -10.059 1.00 17.40 C ATOM 691 CD1 TRP A 45 -4.212 25.742 -9.285 1.00 15.71 C ATOM 692 CD2 TRP A 45 -5.685 24.090 -9.621 1.00 17.80 C ATOM 693 NE1 TRP A 45 -5.243 25.916 -8.398 1.00 16.22 N ATOM 694 CE2 TRP A 45 -6.167 24.923 -8.589 1.00 16.65 C ATOM 695 CE3 TRP A 45 -6.449 22.981 -10.007 1.00 16.70 C ATOM 696 CZ2 TRP A 45 -7.374 24.682 -7.936 1.00 16.66 C ATOM 697 CZ3 TRP A 45 -7.647 22.744 -9.353 1.00 17.58 C ATOM 698 CH2 TRP A 45 -8.095 23.592 -8.328 1.00 17.30 C ATOM 699 HA TRP A 45 -1.907 23.585 -9.817 1.00 0.00 H ATOM 700 HB2 TRP A 45 -3.000 24.928 -11.595 1.00 0.00 H ATOM 701 HB3 TRP A 45 -4.146 23.599 -11.885 1.00 0.00 H ATOM 702 HE1 TRP A 45 -5.312 26.678 -7.694 1.00 0.00 H ATOM 703 HD1 TRP A 45 -3.339 26.391 -9.361 1.00 0.00 H ATOM 704 HZ2 TRP A 45 -7.729 25.339 -7.142 1.00 0.00 H ATOM 705 HH2 TRP A 45 -9.042 23.374 -7.833 1.00 0.00 H ATOM 706 HZ3 TRP A 45 -8.252 21.884 -9.639 1.00 0.00 H ATOM 707 HE3 TRP A 45 -6.109 22.320 -10.804 1.00 0.00 H ATOM 708 H TRP A 45 -1.706 22.993 -12.586 1.00 0.00 H ATOM 709 N THR A 46 -3.743 21.019 -10.761 1.00 16.40 N ATOM 710 CA THR A 46 -4.525 19.883 -10.289 1.00 16.26 C ATOM 711 C THR A 46 -3.681 18.950 -9.413 1.00 17.16 C ATOM 712 O THR A 46 -4.093 18.550 -8.324 1.00 16.89 O ATOM 713 CB THR A 46 -5.111 19.078 -11.469 1.00 16.58 C ATOM 714 OG1 THR A 46 -5.886 19.944 -12.308 1.00 16.82 O ATOM 715 CG2 THR A 46 -5.992 17.951 -10.960 1.00 17.15 C ATOM 716 HA THR A 46 -5.342 20.288 -9.692 1.00 0.00 H ATOM 717 HB THR A 46 -4.287 18.652 -12.041 1.00 0.00 H ATOM 718 HG1 THR A 46 -5.307 20.667 -12.659 1.00 0.00 H ATOM 719 HG23 THR A 46 -5.404 17.292 -10.322 1.00 0.00 H ATOM 720 HG21 THR A 46 -6.820 18.369 -10.388 1.00 0.00 H ATOM 721 HG22 THR A 46 -6.382 17.386 -11.806 1.00 0.00 H ATOM 722 H THR A 46 -3.541 21.104 -11.778 1.00 0.00 H ATOM 723 N THR A 47 -2.493 18.617 -9.897 1.00 17.35 N ATOM 724 CA THR A 47 -1.567 17.794 -9.139 1.00 17.58 C ATOM 725 C THR A 47 -1.198 18.480 -7.825 1.00 18.54 C ATOM 726 O THR A 47 -1.003 17.820 -6.802 1.00 19.86 O ATOM 727 CB THR A 47 -0.294 17.489 -9.947 1.00 18.49 C ATOM 728 OG1 THR A 47 -0.656 16.965 -11.227 1.00 15.58 O ATOM 729 CG2 THR A 47 0.567 16.468 -9.219 1.00 21.84 C ATOM 730 HA THR A 47 -2.066 16.849 -8.923 1.00 0.00 H ATOM 731 HB THR A 47 0.272 18.413 -10.066 1.00 0.00 H ATOM 732 HG1 THR A 47 -1.204 17.632 -11.712 1.00 0.00 H ATOM 733 HG23 THR A 47 0.847 16.861 -8.242 1.00 0.00 H ATOM 734 HG21 THR A 47 0.003 15.544 -9.092 1.00 0.00 H ATOM 735 HG22 THR A 47 1.466 16.270 -9.803 1.00 0.00 H ATOM 736 H THR A 47 -2.217 18.953 -10.842 1.00 0.00 H ATOM 737 N ASN A 48 -1.110 19.804 -7.848 1.00 18.29 N ATOM 738 CA ASN A 48 -0.766 20.552 -6.639 1.00 19.62 C ATOM 739 C ASN A 48 -1.872 20.545 -5.589 1.00 18.99 C ATOM 740 O ASN A 48 -1.610 20.378 -4.398 1.00 20.92 O ATOM 741 CB ASN A 48 -0.375 21.991 -6.971 1.00 21.04 C ATOM 742 CG ASN A 48 1.120 22.214 -6.924 1.00 21.37 C ATOM 743 OD1 ASN A 48 1.860 21.437 -6.318 1.00 21.98 O ATOM 744 ND2 ASN A 48 1.574 23.286 -7.555 1.00 23.32 N ATOM 745 HA ASN A 48 0.090 20.034 -6.207 1.00 0.00 H ATOM 746 HB2 ASN A 48 -0.732 22.228 -7.973 1.00 0.00 H ATOM 747 HB3 ASN A 48 -0.850 22.657 -6.251 1.00 0.00 H ATOM 748 HD22 ASN A 48 0.913 23.915 -8.054 1.00 0.00 H ATOM 749 HD21 ASN A 48 2.592 23.499 -7.552 1.00 0.00 H ATOM 750 H ASN A 48 -1.288 20.316 -8.736 1.00 0.00 H ATOM 751 N GLU A 49 -3.109 20.737 -6.024 1.00 17.92 N ATOM 752 CA GLU A 49 -4.216 20.782 -5.082 1.00 18.31 C ATOM 753 C GLU A 49 -4.562 19.385 -4.579 1.00 19.01 C ATOM 754 O GLU A 49 -5.107 19.229 -3.486 1.00 20.52 O ATOM 755 CB GLU A 49 -5.432 21.463 -5.705 1.00 18.08 C ATOM 756 CG GLU A 49 -5.250 22.962 -5.899 1.00 19.17 C ATOM 757 CD GLU A 49 -4.848 23.675 -4.619 1.00 20.50 C ATOM 758 OE1 GLU A 49 -4.057 24.635 -4.698 1.00 21.12 O ATOM 759 OE2 GLU A 49 -5.323 23.279 -3.532 1.00 21.02 O ATOM 760 HA GLU A 49 -3.905 21.376 -4.222 1.00 0.00 H ATOM 761 HB2 GLU A 49 -5.623 21.009 -6.677 1.00 0.00 H ATOM 762 HB3 GLU A 49 -6.291 21.300 -5.054 1.00 0.00 H ATOM 763 HG2 GLU A 49 -4.475 23.125 -6.648 1.00 0.00 H ATOM 764 HG3 GLU A 49 -6.190 23.385 -6.253 1.00 0.00 H ATOM 765 H GLU A 49 -3.289 20.856 -7.041 1.00 0.00 H ATOM 766 N LEU A 50 -4.234 18.376 -5.383 1.00 17.52 N ATOM 767 CA LEU A 50 -4.439 16.984 -5.007 1.00 19.17 C ATOM 768 C LEU A 50 -3.451 16.646 -3.889 1.00 19.23 C ATOM 769 O LEU A 50 -3.751 15.878 -2.977 1.00 20.88 O ATOM 770 CB LEU A 50 -4.250 16.075 -6.231 1.00 17.83 C ATOM 771 CG LEU A 50 -4.541 14.576 -6.120 1.00 18.96 C ATOM 772 CD1 LEU A 50 -5.810 14.315 -5.324 1.00 20.53 C ATOM 773 CD2 LEU A 50 -4.641 13.944 -7.505 1.00 17.73 C ATOM 774 HA LEU A 50 -5.455 16.824 -4.645 1.00 0.00 H ATOM 775 HB2 LEU A 50 -4.897 16.465 -7.016 1.00 0.00 H ATOM 776 HB3 LEU A 50 -3.209 16.172 -6.539 1.00 0.00 H ATOM 777 HG LEU A 50 -3.710 14.116 -5.585 1.00 0.00 H ATOM 778 HD21 LEU A 50 -5.447 14.420 -8.063 1.00 0.00 H ATOM 779 HD22 LEU A 50 -3.699 14.083 -8.035 1.00 0.00 H ATOM 780 HD23 LEU A 50 -4.848 12.879 -7.403 1.00 0.00 H ATOM 781 HD11 LEU A 50 -5.697 14.722 -4.319 1.00 0.00 H ATOM 782 HD12 LEU A 50 -6.653 14.796 -5.819 1.00 0.00 H ATOM 783 HD13 LEU A 50 -5.986 13.241 -5.265 1.00 0.00 H ATOM 784 H LEU A 50 -3.817 18.589 -6.312 1.00 0.00 H ATOM 785 N ARG A 51 -2.272 17.254 -3.961 1.00 21.48 N ATOM 786 CA ARG A 51 -1.284 17.151 -2.896 1.00 21.39 C ATOM 787 C ARG A 51 -1.695 17.945 -1.661 1.00 20.63 C ATOM 788 O ARG A 51 -1.484 17.500 -0.535 1.00 22.02 O ATOM 789 CB ARG A 51 0.078 17.626 -3.391 1.00 22.29 C ATOM 790 CG ARG A 51 0.706 16.715 -4.425 1.00 22.55 C ATOM 791 CD ARG A 51 1.947 17.355 -5.023 1.00 23.92 C ATOM 792 NE ARG A 51 2.944 16.341 -5.342 1.00 28.04 N ATOM 793 CZ ARG A 51 4.047 16.126 -4.632 1.00 27.86 C ATOM 794 NH1 ARG A 51 4.314 16.876 -3.569 1.00 24.91 N ATOM 795 NH2 ARG A 51 4.891 15.167 -4.996 1.00 28.17 N ATOM 796 HA ARG A 51 -1.220 16.101 -2.610 1.00 0.00 H ATOM 797 HB2 ARG A 51 -0.043 18.615 -3.833 1.00 0.00 H ATOM 798 HB3 ARG A 51 0.751 17.691 -2.536 1.00 0.00 H ATOM 799 HG2 ARG A 51 0.982 15.773 -3.952 1.00 0.00 H ATOM 800 HG3 ARG A 51 -0.016 16.523 -5.219 1.00 0.00 H ATOM 801 HD2 ARG A 51 2.369 18.059 -4.306 1.00 0.00 H ATOM 802 HD3 ARG A 51 1.673 17.887 -5.934 1.00 0.00 H ATOM 803 HE ARG A 51 2.782 15.747 -6.180 1.00 0.00 H ATOM 804 HH12 ARG A 51 5.178 16.705 -3.016 1.00 0.00 H ATOM 805 HH11 ARG A 51 3.659 17.634 -3.290 1.00 0.00 H ATOM 806 HH22 ARG A 51 5.755 14.997 -4.442 1.00 0.00 H ATOM 807 HH21 ARG A 51 4.688 14.586 -5.835 1.00 0.00 H ATOM 808 H ARG A 51 -2.048 17.821 -4.804 1.00 0.00 H ATOM 809 N ASN A 52 -2.285 19.117 -1.874 1.00 21.96 N ATOM 810 CA ASN A 52 -2.772 19.951 -0.773 1.00 21.24 C ATOM 811 C ASN A 52 -3.759 19.201 0.110 1.00 20.85 C ATOM 812 O ASN A 52 -3.806 19.407 1.318 1.00 20.87 O ATOM 813 CB ASN A 52 -3.422 21.225 -1.320 1.00 22.45 C ATOM 814 CG ASN A 52 -3.974 22.129 -0.224 1.00 23.65 C ATOM 815 OD1 ASN A 52 -3.658 21.970 0.956 1.00 23.60 O ATOM 816 ND2 ASN A 52 -4.800 23.091 -0.620 1.00 23.99 N ATOM 817 HA ASN A 52 -1.912 20.218 -0.159 1.00 0.00 H ATOM 818 HB2 ASN A 52 -2.675 21.781 -1.886 1.00 0.00 H ATOM 819 HB3 ASN A 52 -4.240 20.941 -1.982 1.00 0.00 H ATOM 820 HD22 ASN A 52 -5.040 23.189 -1.627 1.00 0.00 H ATOM 821 HD21 ASN A 52 -5.207 23.747 0.077 1.00 0.00 H ATOM 822 H ASN A 52 -2.404 19.452 -2.851 1.00 0.00 H ATOM 823 N ASN A 53 -4.551 18.326 -0.502 1.00 21.11 N ATOM 824 CA ASN A 53 -5.510 17.531 0.246 1.00 19.53 C ATOM 825 C ASN A 53 -4.856 16.311 0.885 1.00 19.28 C ATOM 826 O ASN A 53 -5.061 16.034 2.069 1.00 18.93 O ATOM 827 CB ASN A 53 -6.699 17.132 -0.635 1.00 19.56 C ATOM 828 CG ASN A 53 -7.606 18.312 -0.955 1.00 22.56 C ATOM 829 OD1 ASN A 53 -8.420 18.732 -0.126 1.00 22.74 O ATOM 830 ND2 ASN A 53 -7.461 18.860 -2.154 1.00 21.66 N ATOM 831 HA ASN A 53 -5.889 18.152 1.057 1.00 0.00 H ATOM 832 HB2 ASN A 53 -6.319 16.718 -1.569 1.00 0.00 H ATOM 833 HB3 ASN A 53 -7.282 16.373 -0.114 1.00 0.00 H ATOM 834 HD22 ASN A 53 -6.763 18.474 -2.821 1.00 0.00 H ATOM 835 HD21 ASN A 53 -8.045 19.676 -2.427 1.00 0.00 H ATOM 836 H ASN A 53 -4.483 18.209 -1.533 1.00 0.00 H ATOM 837 N LEU A 54 -4.052 15.594 0.109 1.00 18.34 N ATOM 838 CA LEU A 54 -3.398 14.393 0.619 1.00 19.48 C ATOM 839 C LEU A 54 -2.516 14.718 1.821 1.00 19.38 C ATOM 840 O LEU A 54 -2.231 13.857 2.654 1.00 19.75 O ATOM 841 CB LEU A 54 -2.596 13.722 -0.488 1.00 18.22 C ATOM 842 CG LEU A 54 -3.494 13.198 -1.604 1.00 19.18 C ATOM 843 CD1 LEU A 54 -2.695 12.375 -2.604 1.00 19.13 C ATOM 844 CD2 LEU A 54 -4.642 12.386 -1.012 1.00 19.18 C ATOM 845 HA LEU A 54 -4.166 13.697 0.957 1.00 0.00 H ATOM 846 HB2 LEU A 54 -1.899 14.447 -0.908 1.00 0.00 H ATOM 847 HB3 LEU A 54 -2.038 12.887 -0.063 1.00 0.00 H ATOM 848 HG LEU A 54 -3.915 14.047 -2.142 1.00 0.00 H ATOM 849 HD21 LEU A 54 -4.238 11.544 -0.451 1.00 0.00 H ATOM 850 HD22 LEU A 54 -5.228 13.020 -0.347 1.00 0.00 H ATOM 851 HD23 LEU A 54 -5.277 12.017 -1.817 1.00 0.00 H ATOM 852 HD11 LEU A 54 -1.915 12.997 -3.044 1.00 0.00 H ATOM 853 HD12 LEU A 54 -2.240 11.527 -2.093 1.00 0.00 H ATOM 854 HD13 LEU A 54 -3.360 12.014 -3.389 1.00 0.00 H ATOM 855 H LEU A 54 -3.886 15.892 -0.874 1.00 0.00 H ATOM 856 N ARG A 55 -2.129 15.987 1.905 1.00 20.43 N ATOM 857 CA ARG A 55 -1.310 16.534 2.980 1.00 20.67 C ATOM 858 C ARG A 55 -2.108 16.739 4.263 1.00 19.38 C ATOM 859 O ARG A 55 -1.707 16.294 5.340 1.00 20.42 O ATOM 860 CB ARG A 55 -0.745 17.875 2.514 1.00 21.80 C ATOM 861 CG ARG A 55 0.109 18.604 3.513 1.00 21.38 C ATOM 862 CD ARG A 55 0.585 19.907 2.893 1.00 23.42 C ATOM 863 NE ARG A 55 0.915 19.730 1.483 1.00 22.94 N ATOM 864 CZ ARG A 55 0.774 20.673 0.558 1.00 22.37 C ATOM 865 NH1 ARG A 55 0.310 21.870 0.892 1.00 24.03 N ATOM 866 NH2 ARG A 55 1.099 20.421 -0.701 1.00 22.38 N ATOM 867 HA ARG A 55 -0.513 15.825 3.204 1.00 0.00 H ATOM 868 HB2 ARG A 55 -0.141 17.694 1.625 1.00 0.00 H ATOM 869 HB3 ARG A 55 -1.584 18.521 2.256 1.00 0.00 H ATOM 870 HG2 ARG A 55 -0.475 18.816 4.409 1.00 0.00 H ATOM 871 HG3 ARG A 55 0.969 17.989 3.778 1.00 0.00 H ATOM 872 HD2 ARG A 55 1.471 20.252 3.426 1.00 0.00 H ATOM 873 HD3 ARG A 55 -0.204 20.653 2.983 1.00 0.00 H ATOM 874 HE ARG A 55 1.285 18.806 1.182 1.00 0.00 H ATOM 875 HH12 ARG A 55 0.201 22.606 0.166 1.00 0.00 H ATOM 876 HH11 ARG A 55 0.056 22.072 1.880 1.00 0.00 H ATOM 877 HH22 ARG A 55 0.988 21.160 -1.425 1.00 0.00 H ATOM 878 HH21 ARG A 55 1.465 19.484 -0.966 1.00 0.00 H ATOM 879 H ARG A 55 -2.432 16.635 1.150 1.00 0.00 H ATOM 880 N SER A 56 -3.231 17.434 4.140 1.00 19.60 N ATOM 881 CA SER A 56 -4.133 17.647 5.259 1.00 19.41 C ATOM 882 C SER A 56 -4.632 16.310 5.789 1.00 18.28 C ATOM 883 O SER A 56 -4.701 16.095 6.999 1.00 18.40 O ATOM 884 CB SER A 56 -5.317 18.515 4.819 1.00 21.50 C ATOM 885 OG SER A 56 -6.310 18.602 5.825 1.00 23.44 O ATOM 886 HA SER A 56 -3.595 18.162 6.055 1.00 0.00 H ATOM 887 HB2 SER A 56 -5.760 18.080 3.923 1.00 0.00 H ATOM 888 HB3 SER A 56 -4.955 19.518 4.593 1.00 0.00 H ATOM 889 HG SER A 56 -5.917 19.002 6.641 1.00 0.00 H ATOM 890 H SER A 56 -3.474 17.839 3.213 1.00 0.00 H ATOM 891 N ILE A 57 -4.971 15.408 4.875 1.00 17.42 N ATOM 892 CA ILE A 57 -5.514 14.112 5.263 1.00 16.16 C ATOM 893 C ILE A 57 -4.519 13.263 6.056 1.00 16.85 C ATOM 894 O ILE A 57 -4.902 12.541 6.979 1.00 15.19 O ATOM 895 CB ILE A 57 -6.016 13.327 4.038 1.00 15.90 C ATOM 896 CG1 ILE A 57 -7.188 14.071 3.391 1.00 15.53 C ATOM 897 CG2 ILE A 57 -6.397 11.902 4.434 1.00 17.00 C ATOM 898 CD1 ILE A 57 -7.582 13.516 2.035 1.00 17.51 C ATOM 899 HA ILE A 57 -6.357 14.325 5.921 1.00 0.00 H ATOM 900 HB ILE A 57 -5.215 13.254 3.302 1.00 0.00 H ATOM 901 HG12 ILE A 57 -8.049 14.003 4.056 1.00 0.00 H ATOM 902 HG13 ILE A 57 -6.907 15.117 3.268 1.00 0.00 H ATOM 903 HD11 ILE A 57 -6.734 13.587 1.354 1.00 0.00 H ATOM 904 HD12 ILE A 57 -7.877 12.472 2.143 1.00 0.00 H ATOM 905 HD13 ILE A 57 -8.418 14.092 1.637 1.00 0.00 H ATOM 906 HG21 ILE A 57 -5.524 11.395 4.846 1.00 0.00 H ATOM 907 HG22 ILE A 57 -7.188 11.934 5.183 1.00 0.00 H ATOM 908 HG23 ILE A 57 -6.749 11.364 3.554 1.00 0.00 H ATOM 909 H ILE A 57 -4.847 15.630 3.867 1.00 0.00 H ATOM 910 N GLU A 58 -3.241 13.340 5.703 1.00 15.88 N ATOM 911 CA GLU A 58 -2.253 12.501 6.374 1.00 17.39 C ATOM 912 C GLU A 58 -1.924 12.993 7.792 1.00 15.99 C ATOM 913 O GLU A 58 -1.802 12.190 8.722 1.00 16.32 O ATOM 914 CB GLU A 58 -1.015 12.310 5.498 1.00 18.25 C ATOM 915 CG GLU A 58 -1.336 11.461 4.278 1.00 19.58 C ATOM 916 CD GLU A 58 -0.164 11.255 3.329 1.00 22.47 C ATOM 917 OE1 GLU A 58 0.495 12.244 2.938 1.00 20.79 O ATOM 918 OE2 GLU A 58 0.082 10.091 2.959 1.00 24.78 O ATOM 919 HA GLU A 58 -2.697 11.516 6.515 1.00 0.00 H ATOM 920 HB2 GLU A 58 -0.657 13.286 5.169 1.00 0.00 H ATOM 921 HB3 GLU A 58 -0.238 11.816 6.082 1.00 0.00 H ATOM 922 HG2 GLU A 58 -1.672 10.483 4.622 1.00 0.00 H ATOM 923 HG3 GLU A 58 -2.140 11.947 3.726 1.00 0.00 H ATOM 924 H GLU A 58 -2.945 13.995 4.952 1.00 0.00 H ATOM 925 N TRP A 59 -1.803 14.303 7.957 1.00 15.42 N ATOM 926 CA TRP A 59 -1.653 14.900 9.276 1.00 15.78 C ATOM 927 C TRP A 59 -2.879 14.529 10.099 1.00 15.74 C ATOM 928 O TRP A 59 -2.770 13.977 11.195 1.00 15.84 O ATOM 929 CB TRP A 59 -1.532 16.425 9.146 1.00 16.50 C ATOM 930 CG TRP A 59 -1.193 17.168 10.429 1.00 17.34 C ATOM 931 CD1 TRP A 59 -0.634 16.651 11.565 1.00 17.38 C ATOM 932 CD2 TRP A 59 -1.399 18.564 10.686 1.00 16.75 C ATOM 933 NE1 TRP A 59 -0.480 17.641 12.512 1.00 16.60 N ATOM 934 CE2 TRP A 59 -0.941 18.823 11.995 1.00 16.82 C ATOM 935 CE3 TRP A 59 -1.926 19.618 9.935 1.00 18.83 C ATOM 936 CZ2 TRP A 59 -1.000 20.093 12.569 1.00 19.07 C ATOM 937 CZ3 TRP A 59 -1.983 20.883 10.507 1.00 18.80 C ATOM 938 CH2 TRP A 59 -1.524 21.109 11.812 1.00 18.74 C ATOM 939 HA TRP A 59 -0.752 14.531 9.765 1.00 0.00 H ATOM 940 HB2 TRP A 59 -0.750 16.639 8.417 1.00 0.00 H ATOM 941 HB3 TRP A 59 -2.484 16.807 8.778 1.00 0.00 H ATOM 942 HE1 TRP A 59 -0.079 17.512 13.463 1.00 0.00 H ATOM 943 HD1 TRP A 59 -0.351 15.607 11.702 1.00 0.00 H ATOM 944 HZ2 TRP A 59 -0.642 20.271 13.583 1.00 0.00 H ATOM 945 HH2 TRP A 59 -1.585 22.112 12.233 1.00 0.00 H ATOM 946 HZ3 TRP A 59 -2.391 21.714 9.931 1.00 0.00 H ATOM 947 HE3 TRP A 59 -2.286 19.451 8.920 1.00 0.00 H ATOM 948 H TRP A 59 -1.816 14.921 7.121 1.00 0.00 H ATOM 949 N ASP A 60 -4.051 14.822 9.551 1.00 14.94 N ATOM 950 CA ASP A 60 -5.313 14.498 10.208 1.00 16.03 C ATOM 951 C ASP A 60 -5.374 13.072 10.728 1.00 14.43 C ATOM 952 O ASP A 60 -5.776 12.847 11.864 1.00 13.84 O ATOM 953 CB ASP A 60 -6.480 14.737 9.256 1.00 16.51 C ATOM 954 CG ASP A 60 -6.846 16.199 9.150 1.00 17.77 C ATOM 955 OD1 ASP A 60 -6.094 17.049 9.682 1.00 19.30 O ATOM 956 OD2 ASP A 60 -7.886 16.497 8.532 1.00 16.60 O ATOM 957 HA ASP A 60 -5.383 15.159 11.072 1.00 0.00 H ATOM 958 HB2 ASP A 60 -6.205 14.372 8.266 1.00 0.00 H ATOM 959 HB3 ASP A 60 -7.347 14.184 9.618 1.00 0.00 H ATOM 960 H ASP A 60 -4.071 15.297 8.626 1.00 0.00 H ATOM 961 N LEU A 61 -4.997 12.113 9.886 1.00 15.01 N ATOM 962 CA LEU A 61 -5.045 10.696 10.254 1.00 14.12 C ATOM 963 C LEU A 61 -4.037 10.354 11.349 1.00 14.36 C ATOM 964 O LEU A 61 -4.312 9.503 12.198 1.00 14.42 O ATOM 965 CB LEU A 61 -4.809 9.796 9.036 1.00 15.06 C ATOM 966 CG LEU A 61 -5.894 9.654 7.963 1.00 15.21 C ATOM 967 CD1 LEU A 61 -5.409 8.740 6.843 1.00 16.50 C ATOM 968 CD2 LEU A 61 -7.202 9.131 8.538 1.00 14.08 C ATOM 969 HA LEU A 61 -6.046 10.511 10.643 1.00 0.00 H ATOM 970 HB2 LEU A 61 -3.918 10.173 8.534 1.00 0.00 H ATOM 971 HB3 LEU A 61 -4.612 8.794 9.419 1.00 0.00 H ATOM 972 HG LEU A 61 -6.089 10.648 7.561 1.00 0.00 H ATOM 973 HD21 LEU A 61 -7.035 8.151 8.985 1.00 0.00 H ATOM 974 HD22 LEU A 61 -7.565 9.822 9.299 1.00 0.00 H ATOM 975 HD23 LEU A 61 -7.940 9.047 7.740 1.00 0.00 H ATOM 976 HD11 LEU A 61 -4.513 9.165 6.391 1.00 0.00 H ATOM 977 HD12 LEU A 61 -5.180 7.756 7.252 1.00 0.00 H ATOM 978 HD13 LEU A 61 -6.189 8.648 6.087 1.00 0.00 H ATOM 979 H LEU A 61 -4.658 12.377 8.939 1.00 0.00 H ATOM 980 N GLU A 62 -2.870 11.001 11.308 1.00 14.31 N ATOM 981 CA GLU A 62 -1.859 10.868 12.357 1.00 14.93 C ATOM 982 C GLU A 62 -2.454 11.234 13.696 1.00 14.35 C ATOM 983 O GLU A 62 -2.321 10.499 14.668 1.00 14.43 O ATOM 984 CB GLU A 62 -0.685 11.822 12.124 1.00 14.87 C ATOM 985 CG GLU A 62 0.334 11.373 11.124 1.00 14.39 C ATOM 986 CD GLU A 62 1.602 12.204 11.182 1.00 17.13 C ATOM 987 OE1 GLU A 62 1.729 13.072 12.079 1.00 16.39 O ATOM 988 OE2 GLU A 62 2.477 11.995 10.318 1.00 17.76 O ATOM 989 HA GLU A 62 -1.515 9.834 12.338 1.00 0.00 H ATOM 990 HB2 GLU A 62 -1.091 12.774 11.783 1.00 0.00 H ATOM 991 HB3 GLU A 62 -0.177 11.966 13.078 1.00 0.00 H ATOM 992 HG2 GLU A 62 0.587 10.332 11.324 1.00 0.00 H ATOM 993 HG3 GLU A 62 -0.094 11.456 10.125 1.00 0.00 H ATOM 994 H GLU A 62 -2.672 11.624 10.499 1.00 0.00 H ATOM 995 N ASP A 63 -3.087 12.400 13.744 1.00 14.71 N ATOM 996 CA ASP A 63 -3.650 12.902 14.983 1.00 15.92 C ATOM 997 C ASP A 63 -4.782 12.007 15.434 1.00 14.03 C ATOM 998 O ASP A 63 -4.866 11.652 16.602 1.00 14.66 O ATOM 999 CB ASP A 63 -4.170 14.330 14.813 1.00 14.43 C ATOM 1000 CG ASP A 63 -3.058 15.344 14.678 1.00 17.02 C ATOM 1001 OD1 ASP A 63 -1.887 14.992 14.933 1.00 17.16 O ATOM 1002 OD2 ASP A 63 -3.361 16.500 14.327 1.00 17.43 O ATOM 1003 HA ASP A 63 -2.861 12.907 15.735 1.00 0.00 H ATOM 1004 HB2 ASP A 63 -4.790 14.371 13.918 1.00 0.00 H ATOM 1005 HB3 ASP A 63 -4.773 14.588 15.684 1.00 0.00 H ATOM 1006 H ASP A 63 -3.181 12.965 12.876 1.00 0.00 H ATOM 1007 N LEU A 64 -5.661 11.659 14.504 1.00 12.46 N ATOM 1008 CA LEU A 64 -6.797 10.816 14.824 1.00 13.20 C ATOM 1009 C LEU A 64 -6.350 9.470 15.372 1.00 14.26 C ATOM 1010 O LEU A 64 -6.880 8.996 16.383 1.00 14.19 O ATOM 1011 CB LEU A 64 -7.679 10.615 13.595 1.00 14.50 C ATOM 1012 CG LEU A 64 -8.637 11.750 13.255 1.00 11.16 C ATOM 1013 CD1 LEU A 64 -9.288 11.507 11.897 1.00 12.14 C ATOM 1014 CD2 LEU A 64 -9.683 11.891 14.342 1.00 12.78 C ATOM 1015 HA LEU A 64 -7.376 11.322 15.596 1.00 0.00 H ATOM 1016 HB2 LEU A 64 -7.024 10.466 12.737 1.00 0.00 H ATOM 1017 HB3 LEU A 64 -8.274 9.716 13.757 1.00 0.00 H ATOM 1018 HG LEU A 64 -8.076 12.682 13.197 1.00 0.00 H ATOM 1019 HD21 LEU A 64 -10.245 10.961 14.427 1.00 0.00 H ATOM 1020 HD22 LEU A 64 -9.192 12.108 15.291 1.00 0.00 H ATOM 1021 HD23 LEU A 64 -10.362 12.705 14.088 1.00 0.00 H ATOM 1022 HD11 LEU A 64 -8.516 11.452 11.130 1.00 0.00 H ATOM 1023 HD12 LEU A 64 -9.843 10.569 11.924 1.00 0.00 H ATOM 1024 HD13 LEU A 64 -9.969 12.327 11.670 1.00 0.00 H ATOM 1025 H LEU A 64 -5.534 11.996 13.529 1.00 0.00 H ATOM 1026 N ASP A 65 -5.384 8.849 14.697 1.00 13.47 N ATOM 1027 CA ASP A 65 -4.833 7.572 15.143 1.00 14.74 C ATOM 1028 C ASP A 65 -4.267 7.664 16.565 1.00 14.77 C ATOM 1029 O ASP A 65 -4.412 6.731 17.361 1.00 15.64 O ATOM 1030 CB ASP A 65 -3.766 7.083 14.163 1.00 14.96 C ATOM 1031 CG ASP A 65 -3.486 5.604 14.294 1.00 17.27 C ATOM 1032 OD1 ASP A 65 -4.254 4.896 14.982 1.00 19.71 O ATOM 1033 OD2 ASP A 65 -2.499 5.129 13.697 1.00 17.70 O ATOM 1034 HA ASP A 65 -5.647 6.847 15.165 1.00 0.00 H ATOM 1035 HB2 ASP A 65 -4.106 7.285 13.147 1.00 0.00 H ATOM 1036 HB3 ASP A 65 -2.843 7.631 14.351 1.00 0.00 H ATOM 1037 H ASP A 65 -5.012 9.285 13.829 1.00 0.00 H ATOM 1038 N GLU A 66 -3.626 8.787 16.881 1.00 14.40 N ATOM 1039 CA GLU A 66 -3.079 9.005 18.216 1.00 14.23 C ATOM 1040 C GLU A 66 -4.155 9.083 19.283 1.00 15.50 C ATOM 1041 O GLU A 66 -3.980 8.544 20.378 1.00 15.11 O ATOM 1042 CB GLU A 66 -2.244 10.276 18.273 1.00 15.84 C ATOM 1043 CG GLU A 66 -0.879 10.132 17.660 1.00 18.36 C ATOM 1044 CD GLU A 66 -0.038 11.372 17.867 1.00 18.65 C ATOM 1045 OE1 GLU A 66 1.060 11.441 17.274 1.00 19.30 O ATOM 1046 OE2 GLU A 66 -0.481 12.269 18.624 1.00 17.99 O ATOM 1047 HA GLU A 66 -2.450 8.139 18.421 1.00 0.00 H ATOM 1048 HB2 GLU A 66 -2.779 11.063 17.741 1.00 0.00 H ATOM 1049 HB3 GLU A 66 -2.124 10.562 19.318 1.00 0.00 H ATOM 1050 HG2 GLU A 66 -0.374 9.282 18.118 1.00 0.00 H ATOM 1051 HG3 GLU A 66 -0.989 9.954 16.590 1.00 0.00 H ATOM 1052 H GLU A 66 -3.512 9.527 16.159 1.00 0.00 H ATOM 1053 N THR A 67 -5.260 9.760 18.978 1.00 13.33 N ATOM 1054 CA THR A 67 -6.336 9.878 19.958 1.00 14.97 C ATOM 1055 C THR A 67 -6.845 8.492 20.346 1.00 14.70 C ATOM 1056 O THR A 67 -7.264 8.276 21.481 1.00 16.72 O ATOM 1057 CB THR A 67 -7.500 10.772 19.476 1.00 14.67 C ATOM 1058 OG1 THR A 67 -8.303 10.064 18.522 1.00 14.06 O ATOM 1059 CG2 THR A 67 -6.967 12.066 18.860 1.00 13.81 C ATOM 1060 HA THR A 67 -5.915 10.371 20.834 1.00 0.00 H ATOM 1061 HB THR A 67 -8.117 11.029 20.337 1.00 0.00 H ATOM 1062 HG1 THR A 67 -7.744 9.811 17.745 1.00 0.00 H ATOM 1063 HG23 THR A 67 -6.359 12.593 19.595 1.00 0.00 H ATOM 1064 HG21 THR A 67 -6.359 11.828 17.987 1.00 0.00 H ATOM 1065 HG22 THR A 67 -7.804 12.696 18.560 1.00 0.00 H ATOM 1066 H THR A 67 -5.357 10.204 18.043 1.00 0.00 H ATOM 1067 N ILE A 68 -6.775 7.550 19.413 1.00 13.60 N ATOM 1068 CA ILE A 68 -7.175 6.168 19.690 1.00 14.64 C ATOM 1069 C ILE A 68 -6.281 5.557 20.760 1.00 16.12 C ATOM 1070 O ILE A 68 -6.758 4.904 21.684 1.00 15.53 O ATOM 1071 CB ILE A 68 -7.167 5.297 18.412 1.00 13.89 C ATOM 1072 CG1 ILE A 68 -8.227 5.805 17.426 1.00 14.98 C ATOM 1073 CG2 ILE A 68 -7.397 3.819 18.747 1.00 15.43 C ATOM 1074 CD1 ILE A 68 -8.600 4.807 16.350 1.00 16.04 C ATOM 1075 HA ILE A 68 -8.200 6.193 20.060 1.00 0.00 H ATOM 1076 HB ILE A 68 -6.185 5.378 17.945 1.00 0.00 H ATOM 1077 HG12 ILE A 68 -9.127 6.054 17.989 1.00 0.00 H ATOM 1078 HG13 ILE A 68 -7.842 6.703 16.942 1.00 0.00 H ATOM 1079 HD11 ILE A 68 -7.714 4.555 15.767 1.00 0.00 H ATOM 1080 HD12 ILE A 68 -8.999 3.906 16.815 1.00 0.00 H ATOM 1081 HD13 ILE A 68 -9.354 5.245 15.696 1.00 0.00 H ATOM 1082 HG21 ILE A 68 -6.606 3.471 19.411 1.00 0.00 H ATOM 1083 HG22 ILE A 68 -8.363 3.705 19.240 1.00 0.00 H ATOM 1084 HG23 ILE A 68 -7.386 3.233 17.828 1.00 0.00 H ATOM 1085 H ILE A 68 -6.429 7.799 18.464 1.00 0.00 H ATOM 1086 N SER A 69 -4.978 5.790 20.644 1.00 16.62 N ATOM 1087 CA SER A 69 -4.032 5.265 21.617 1.00 16.85 C ATOM 1088 C SER A 69 -4.279 5.907 22.977 1.00 17.76 C ATOM 1089 O SER A 69 -4.179 5.254 24.018 1.00 16.92 O ATOM 1090 CB SER A 69 -2.598 5.496 21.135 1.00 17.05 C ATOM 1091 OG SER A 69 -2.374 4.780 19.925 1.00 16.73 O ATOM 1092 HA SER A 69 -4.176 4.190 21.722 1.00 0.00 H ATOM 1093 HB2 SER A 69 -1.900 5.148 21.896 1.00 0.00 H ATOM 1094 HB3 SER A 69 -2.442 6.560 20.960 1.00 0.00 H ATOM 1095 HG SER A 69 -1.445 4.934 19.619 1.00 0.00 H ATOM 1096 H SER A 69 -4.629 6.357 19.845 1.00 0.00 H ATOM 1097 N ILE A 70 -4.635 7.186 22.955 1.00 16.78 N ATOM 1098 CA ILE A 70 -4.928 7.935 24.178 1.00 16.58 C ATOM 1099 C ILE A 70 -6.154 7.388 24.913 1.00 16.86 C ATOM 1100 O ILE A 70 -6.128 7.210 26.132 1.00 18.60 O ATOM 1101 CB ILE A 70 -5.072 9.446 23.880 1.00 17.77 C ATOM 1102 CG1 ILE A 70 -3.712 10.035 23.502 1.00 16.47 C ATOM 1103 CG2 ILE A 70 -5.656 10.189 25.066 1.00 18.62 C ATOM 1104 CD1 ILE A 70 -3.718 11.539 23.353 1.00 18.09 C ATOM 1105 HA ILE A 70 -4.079 7.803 24.849 1.00 0.00 H ATOM 1106 HB ILE A 70 -5.760 9.563 23.042 1.00 0.00 H ATOM 1107 HG12 ILE A 70 -2.994 9.769 24.278 1.00 0.00 H ATOM 1108 HG13 ILE A 70 -3.399 9.597 22.554 1.00 0.00 H ATOM 1109 HD11 ILE A 70 -4.422 11.823 22.571 1.00 0.00 H ATOM 1110 HD12 ILE A 70 -4.018 11.995 24.297 1.00 0.00 H ATOM 1111 HD13 ILE A 70 -2.718 11.880 23.084 1.00 0.00 H ATOM 1112 HG21 ILE A 70 -6.642 9.785 25.297 1.00 0.00 H ATOM 1113 HG22 ILE A 70 -5.001 10.066 25.928 1.00 0.00 H ATOM 1114 HG23 ILE A 70 -5.744 11.248 24.822 1.00 0.00 H ATOM 1115 H ILE A 70 -4.708 7.672 22.038 1.00 0.00 H ATOM 1116 N VAL A 71 -7.220 7.100 24.172 1.00 16.92 N ATOM 1117 CA VAL A 71 -8.399 6.450 24.751 1.00 16.97 C ATOM 1118 C VAL A 71 -8.102 5.033 25.273 1.00 19.21 C ATOM 1119 O VAL A 71 -8.567 4.636 26.344 1.00 19.20 O ATOM 1120 CB VAL A 71 -9.565 6.383 23.745 1.00 16.99 C ATOM 1121 CG1 VAL A 71 -10.641 5.421 24.238 1.00 16.24 C ATOM 1122 CG2 VAL A 71 -10.136 7.771 23.509 1.00 16.27 C ATOM 1123 HA VAL A 71 -8.687 7.072 25.598 1.00 0.00 H ATOM 1124 HB VAL A 71 -9.189 6.005 22.794 1.00 0.00 H ATOM 1125 HG11 VAL A 71 -10.212 4.425 24.351 1.00 0.00 H ATOM 1126 HG12 VAL A 71 -11.021 5.765 25.200 1.00 0.00 H ATOM 1127 HG13 VAL A 71 -11.456 5.387 23.515 1.00 0.00 H ATOM 1128 HG21 VAL A 71 -10.501 8.177 24.452 1.00 0.00 H ATOM 1129 HG22 VAL A 71 -9.357 8.420 23.110 1.00 0.00 H ATOM 1130 HG23 VAL A 71 -10.958 7.708 22.797 1.00 0.00 H ATOM 1131 H VAL A 71 -7.217 7.341 23.160 1.00 0.00 H ATOM 1132 N GLU A 72 -7.325 4.269 24.516 1.00 18.03 N ATOM 1133 CA GLU A 72 -7.033 2.895 24.908 1.00 18.66 C ATOM 1134 C GLU A 72 -6.132 2.820 26.138 1.00 19.41 C ATOM 1135 O GLU A 72 -6.176 1.848 26.894 1.00 18.50 O ATOM 1136 CB GLU A 72 -6.432 2.116 23.744 1.00 18.20 C ATOM 1137 CG GLU A 72 -7.436 1.786 22.673 1.00 18.99 C ATOM 1138 CD GLU A 72 -6.997 0.620 21.832 1.00 21.49 C ATOM 1139 OE1 GLU A 72 -5.779 0.499 21.586 1.00 23.61 O ATOM 1140 OE2 GLU A 72 -7.868 -0.183 21.425 1.00 21.54 O ATOM 1141 HA GLU A 72 -7.981 2.433 25.182 1.00 0.00 H ATOM 1142 HB2 GLU A 72 -5.635 2.714 23.301 1.00 0.00 H ATOM 1143 HB3 GLU A 72 -6.015 1.185 24.128 1.00 0.00 H ATOM 1144 HG2 GLU A 72 -8.388 1.542 23.145 1.00 0.00 H ATOM 1145 HG3 GLU A 72 -7.564 2.656 22.030 1.00 0.00 H ATOM 1146 H GLU A 72 -6.922 4.652 23.637 1.00 0.00 H ATOM 1147 N ALA A 73 -5.323 3.849 26.339 1.00 18.92 N ATOM 1148 CA ALA A 73 -4.451 3.903 27.507 1.00 21.20 C ATOM 1149 C ALA A 73 -5.198 4.426 28.732 1.00 22.42 C ATOM 1150 O ALA A 73 -4.803 4.166 29.869 1.00 23.75 O ATOM 1151 CB ALA A 73 -3.234 4.756 27.221 1.00 21.06 C ATOM 1152 HA ALA A 73 -4.121 2.888 27.726 1.00 0.00 H ATOM 1153 HB1 ALA A 73 -2.681 4.329 26.385 1.00 0.00 H ATOM 1154 HB2 ALA A 73 -3.552 5.768 26.969 1.00 0.00 H ATOM 1155 HB3 ALA A 73 -2.596 4.784 28.104 1.00 0.00 H ATOM 1156 H ALA A 73 -5.309 4.631 25.653 1.00 0.00 H ATOM 1157 N ASN A 74 -6.282 5.160 28.495 1.00 21.05 N ATOM 1158 CA ASN A 74 -7.067 5.734 29.582 1.00 21.31 C ATOM 1159 C ASN A 74 -8.562 5.611 29.298 1.00 22.31 C ATOM 1160 O ASN A 74 -9.250 6.613 29.111 1.00 20.79 O ATOM 1161 CB ASN A 74 -6.679 7.194 29.798 1.00 22.11 C ATOM 1162 CG ASN A 74 -7.156 7.731 31.128 1.00 24.71 C ATOM 1163 OD1 ASN A 74 -7.481 6.968 32.038 1.00 26.59 O ATOM 1164 ND2 ASN A 74 -7.199 9.052 31.252 1.00 23.73 N ATOM 1165 HA ASN A 74 -6.851 5.177 30.494 1.00 0.00 H ATOM 1166 HB2 ASN A 74 -5.593 7.277 29.757 1.00 0.00 H ATOM 1167 HB3 ASN A 74 -7.118 7.794 29.001 1.00 0.00 H ATOM 1168 HD22 ASN A 74 -6.915 9.658 30.456 1.00 0.00 H ATOM 1169 HD21 ASN A 74 -7.517 9.480 32.145 1.00 0.00 H ATOM 1170 H ASN A 74 -6.576 5.328 27.512 1.00 0.00 H ATOM 1171 N PRO A 75 -9.063 4.369 29.262 1.00 20.25 N ATOM 1172 CA PRO A 75 -10.449 4.077 28.885 1.00 22.21 C ATOM 1173 C PRO A 75 -11.474 4.632 29.867 1.00 21.35 C ATOM 1174 O PRO A 75 -12.505 5.141 29.423 1.00 22.52 O ATOM 1175 CB PRO A 75 -10.496 2.545 28.877 1.00 20.75 C ATOM 1176 CG PRO A 75 -9.393 2.132 29.768 1.00 22.87 C ATOM 1177 CD PRO A 75 -8.311 3.147 29.582 1.00 20.33 C ATOM 1178 HA PRO A 75 -10.707 4.540 27.933 1.00 0.00 H ATOM 1179 HD3 PRO A 75 -7.728 3.272 30.495 1.00 0.00 H ATOM 1180 HD2 PRO A 75 -7.647 2.868 28.764 1.00 0.00 H ATOM 1181 HG3 PRO A 75 -9.034 1.140 29.492 1.00 0.00 H ATOM 1182 HG2 PRO A 75 -9.728 2.120 30.805 1.00 0.00 H ATOM 1183 HB2 PRO A 75 -11.453 2.187 29.258 1.00 0.00 H ATOM 1184 HB3 PRO A 75 -10.341 2.160 27.869 1.00 0.00 H ATOM 1185 N ARG A 76 -11.209 4.532 31.167 1.00 21.00 N ATOM 1186 CA ARG A 76 -12.161 5.013 32.168 1.00 23.25 C ATOM 1187 C ARG A 76 -12.511 6.484 31.954 1.00 22.00 C ATOM 1188 O ARG A 76 -13.676 6.864 32.017 1.00 23.08 O ATOM 1189 CB ARG A 76 -11.644 4.763 33.594 1.00 23.93 C ATOM 1190 CG ARG A 76 -12.470 5.426 34.699 1.00 23.84 C ATOM 1191 CD ARG A 76 -13.972 5.187 34.534 1.00 25.41 C ATOM 1192 NE ARG A 76 -14.450 3.939 35.135 1.00 25.50 N ATOM 1193 CZ ARG A 76 -15.505 3.853 35.947 1.00 23.57 C ATOM 1194 NH1 ARG A 76 -16.196 4.937 36.261 1.00 24.99 N ATOM 1195 NH2 ARG A 76 -15.876 2.679 36.443 1.00 25.13 N ATOM 1196 HA ARG A 76 -13.080 4.441 32.043 1.00 0.00 H ATOM 1197 HB2 ARG A 76 -11.641 3.687 33.771 1.00 0.00 H ATOM 1198 HB3 ARG A 76 -10.624 5.143 33.657 1.00 0.00 H ATOM 1199 HG2 ARG A 76 -12.155 5.021 35.661 1.00 0.00 H ATOM 1200 HG3 ARG A 76 -12.283 6.500 34.679 1.00 0.00 H ATOM 1201 HD2 ARG A 76 -14.200 5.163 33.468 1.00 0.00 H ATOM 1202 HD3 ARG A 76 -14.504 6.017 34.999 1.00 0.00 H ATOM 1203 HE ARG A 76 -13.933 3.064 34.914 1.00 0.00 H ATOM 1204 HH12 ARG A 76 -17.018 4.865 36.894 1.00 0.00 H ATOM 1205 HH11 ARG A 76 -15.917 5.861 35.874 1.00 0.00 H ATOM 1206 HH22 ARG A 76 -16.699 2.618 37.075 1.00 0.00 H ATOM 1207 HH21 ARG A 76 -15.343 1.820 36.199 1.00 0.00 H ATOM 1208 H ARG A 76 -10.312 4.106 31.476 1.00 0.00 H ATOM 1209 N LYS A 77 -11.501 7.302 31.680 1.00 23.03 N ATOM 1210 CA LYS A 77 -11.694 8.736 31.482 1.00 22.46 C ATOM 1211 C LYS A 77 -12.595 9.070 30.296 1.00 22.27 C ATOM 1212 O LYS A 77 -13.379 10.024 30.340 1.00 21.97 O ATOM 1213 CB LYS A 77 -10.342 9.429 31.293 1.00 23.23 C ATOM 1214 CG LYS A 77 -10.422 10.788 30.614 1.00 22.50 C ATOM 1215 CD LYS A 77 -9.035 11.373 30.447 1.00 23.83 C ATOM 1216 CE LYS A 77 -9.077 12.789 29.916 1.00 25.82 C ATOM 1217 NZ LYS A 77 -7.709 13.374 29.908 1.00 26.33 N ATOM 1218 HA LYS A 77 -12.193 9.100 32.380 1.00 0.00 H ATOM 1219 HB2 LYS A 77 -9.888 9.564 32.275 1.00 0.00 H ATOM 1220 HB3 LYS A 77 -9.708 8.781 30.687 1.00 0.00 H ATOM 1221 HG2 LYS A 77 -10.885 10.674 29.634 1.00 0.00 H ATOM 1222 HG3 LYS A 77 -11.025 11.460 31.224 1.00 0.00 H ATOM 1223 HD2 LYS A 77 -8.535 11.375 31.415 1.00 0.00 H ATOM 1224 HD3 LYS A 77 -8.472 10.752 29.750 1.00 0.00 H ATOM 1225 HE2 LYS A 77 -9.724 13.393 30.552 1.00 0.00 H ATOM 1226 HE3 LYS A 77 -9.472 12.782 28.900 1.00 0.00 H ATOM 1227 HZ1 LYS A 77 -7.332 13.384 30.877 1.00 0.00 H ATOM 1228 HZ2 LYS A 77 -7.091 12.799 29.300 1.00 0.00 H ATOM 1229 HZ3 LYS A 77 -7.751 14.346 29.541 1.00 0.00 H ATOM 1230 H LYS A 77 -10.541 6.908 31.604 1.00 0.00 H ATOM 1231 N PHE A 78 -12.471 8.297 29.225 1.00 21.04 N ATOM 1232 CA PHE A 78 -13.152 8.657 27.989 1.00 21.61 C ATOM 1233 C PHE A 78 -14.518 7.999 27.843 1.00 21.58 C ATOM 1234 O PHE A 78 -15.409 8.561 27.213 1.00 21.83 O ATOM 1235 CB PHE A 78 -12.244 8.415 26.775 1.00 20.46 C ATOM 1236 CG PHE A 78 -11.067 9.352 26.722 1.00 20.04 C ATOM 1237 CD1 PHE A 78 -11.231 10.668 26.302 1.00 19.23 C ATOM 1238 CD2 PHE A 78 -9.811 8.935 27.118 1.00 18.69 C ATOM 1239 CE1 PHE A 78 -10.157 11.548 26.268 1.00 18.94 C ATOM 1240 CE2 PHE A 78 -8.735 9.801 27.083 1.00 18.59 C ATOM 1241 CZ PHE A 78 -8.908 11.114 26.660 1.00 19.78 C ATOM 1242 HA PHE A 78 -13.359 9.726 28.037 1.00 0.00 H ATOM 1243 HB2 PHE A 78 -11.871 7.392 26.819 1.00 0.00 H ATOM 1244 HB3 PHE A 78 -12.834 8.547 25.868 1.00 0.00 H ATOM 1245 HD2 PHE A 78 -9.667 7.911 27.462 1.00 0.00 H ATOM 1246 HE2 PHE A 78 -7.748 9.454 27.388 1.00 0.00 H ATOM 1247 HZ PHE A 78 -8.060 11.798 26.638 1.00 0.00 H ATOM 1248 HE1 PHE A 78 -10.300 12.575 25.934 1.00 0.00 H ATOM 1249 HD1 PHE A 78 -12.218 11.014 25.995 1.00 0.00 H ATOM 1250 H PHE A 78 -11.889 7.436 29.268 1.00 0.00 H ATOM 1251 N ASN A 79 -14.691 6.826 28.448 1.00 20.54 N ATOM 1252 CA ASN A 79 -15.978 6.149 28.413 1.00 19.21 C ATOM 1253 C ASN A 79 -16.531 6.067 26.996 1.00 20.30 C ATOM 1254 O ASN A 79 -17.575 6.661 26.696 1.00 21.47 O ATOM 1255 CB ASN A 79 -16.986 6.876 29.307 1.00 18.68 C ATOM 1256 CG ASN A 79 -18.284 6.104 29.475 1.00 20.02 C ATOM 1257 OD1 ASN A 79 -18.279 4.875 29.575 1.00 21.29 O ATOM 1258 ND2 ASN A 79 -19.403 6.820 29.502 1.00 17.75 N ATOM 1259 HA ASN A 79 -15.822 5.135 28.782 1.00 0.00 H ATOM 1260 HB2 ASN A 79 -16.538 7.024 30.290 1.00 0.00 H ATOM 1261 HB3 ASN A 79 -17.211 7.845 28.862 1.00 0.00 H ATOM 1262 HD22 ASN A 79 -19.360 7.855 29.414 1.00 0.00 H ATOM 1263 HD21 ASN A 79 -20.322 6.345 29.611 1.00 0.00 H ATOM 1264 H ASN A 79 -13.895 6.387 28.953 1.00 0.00 H ATOM 1265 N LEU A 80 -15.838 5.344 26.122 1.00 19.06 N ATOM 1266 CA LEU A 80 -16.286 5.199 24.738 1.00 19.33 C ATOM 1267 C LEU A 80 -16.914 3.839 24.485 1.00 19.29 C ATOM 1268 O LEU A 80 -16.446 2.819 24.986 1.00 18.40 O ATOM 1269 CB LEU A 80 -15.131 5.419 23.752 1.00 19.22 C ATOM 1270 CG LEU A 80 -14.732 6.849 23.386 1.00 19.70 C ATOM 1271 CD1 LEU A 80 -13.457 6.848 22.548 1.00 19.35 C ATOM 1272 CD2 LEU A 80 -15.854 7.546 22.640 1.00 19.85 C ATOM 1273 HA LEU A 80 -17.044 5.965 24.576 1.00 0.00 H ATOM 1274 HB2 LEU A 80 -14.250 4.941 24.180 1.00 0.00 H ATOM 1275 HB3 LEU A 80 -15.402 4.915 22.824 1.00 0.00 H ATOM 1276 HG LEU A 80 -14.542 7.397 24.309 1.00 0.00 H ATOM 1277 HD21 LEU A 80 -16.076 6.997 21.725 1.00 0.00 H ATOM 1278 HD22 LEU A 80 -16.743 7.579 23.271 1.00 0.00 H ATOM 1279 HD23 LEU A 80 -15.547 8.562 22.390 1.00 0.00 H ATOM 1280 HD11 LEU A 80 -12.649 6.389 23.118 1.00 0.00 H ATOM 1281 HD12 LEU A 80 -13.626 6.281 21.633 1.00 0.00 H ATOM 1282 HD13 LEU A 80 -13.188 7.874 22.297 1.00 0.00 H ATOM 1283 H LEU A 80 -14.962 4.874 26.428 1.00 0.00 H ATOM 1284 N ASP A 81 -17.976 3.827 23.691 1.00 19.11 N ATOM 1285 CA ASP A 81 -18.594 2.581 23.267 1.00 19.33 C ATOM 1286 C ASP A 81 -17.606 1.804 22.389 1.00 18.49 C ATOM 1287 O ASP A 81 -17.006 2.367 21.478 1.00 18.10 O ATOM 1288 CB ASP A 81 -19.896 2.894 22.523 1.00 19.48 C ATOM 1289 CG ASP A 81 -20.515 1.674 21.891 1.00 19.88 C ATOM 1290 OD1 ASP A 81 -21.265 0.954 22.587 1.00 20.46 O ATOM 1291 OD2 ASP A 81 -20.253 1.447 20.692 1.00 20.34 O ATOM 1292 HA ASP A 81 -18.840 1.959 24.127 1.00 0.00 H ATOM 1293 HB2 ASP A 81 -20.608 3.319 23.230 1.00 0.00 H ATOM 1294 HB3 ASP A 81 -19.684 3.622 21.740 1.00 0.00 H ATOM 1295 H ASP A 81 -18.376 4.730 23.364 1.00 0.00 H ATOM 1296 N ALA A 82 -17.433 0.516 22.674 1.00 18.06 N ATOM 1297 CA ALA A 82 -16.419 -0.303 22.002 1.00 19.07 C ATOM 1298 C ALA A 82 -16.669 -0.518 20.510 1.00 19.64 C ATOM 1299 O ALA A 82 -15.733 -0.535 19.707 1.00 20.40 O ATOM 1300 CB ALA A 82 -16.271 -1.644 22.711 1.00 19.48 C ATOM 1301 HA ALA A 82 -15.490 0.263 22.067 1.00 0.00 H ATOM 1302 HB1 ALA A 82 -15.967 -1.476 23.744 1.00 0.00 H ATOM 1303 HB2 ALA A 82 -17.225 -2.170 22.693 1.00 0.00 H ATOM 1304 HB3 ALA A 82 -15.515 -2.241 22.201 1.00 0.00 H ATOM 1305 H ALA A 82 -18.037 0.075 23.397 1.00 0.00 H ATOM 1306 N THR A 83 -17.927 -0.697 20.129 1.00 18.03 N ATOM 1307 CA THR A 83 -18.253 -0.800 18.714 1.00 19.56 C ATOM 1308 C THR A 83 -17.901 0.502 18.001 1.00 19.92 C ATOM 1309 O THR A 83 -17.309 0.484 16.915 1.00 19.82 O ATOM 1310 CB THR A 83 -19.737 -1.142 18.486 1.00 21.06 C ATOM 1311 OG1 THR A 83 -20.047 -2.379 19.142 1.00 20.66 O ATOM 1312 CG2 THR A 83 -20.034 -1.278 16.990 1.00 21.71 C ATOM 1313 HA THR A 83 -17.661 -1.616 18.299 1.00 0.00 H ATOM 1314 HB THR A 83 -20.348 -0.337 18.896 1.00 0.00 H ATOM 1315 HG1 THR A 83 -19.873 -2.289 20.112 1.00 0.00 H ATOM 1316 HG23 THR A 83 -19.800 -0.340 16.488 1.00 0.00 H ATOM 1317 HG21 THR A 83 -19.424 -2.078 16.571 1.00 0.00 H ATOM 1318 HG22 THR A 83 -21.089 -1.513 16.850 1.00 0.00 H ATOM 1319 H THR A 83 -18.681 -0.764 20.842 1.00 0.00 H ATOM 1320 N GLU A 84 -18.264 1.626 18.618 1.00 18.33 N ATOM 1321 CA GLU A 84 -17.936 2.946 18.084 1.00 17.77 C ATOM 1322 C GLU A 84 -16.425 3.099 17.890 1.00 17.13 C ATOM 1323 O GLU A 84 -15.969 3.616 16.869 1.00 17.45 O ATOM 1324 CB GLU A 84 -18.466 4.036 19.020 1.00 18.76 C ATOM 1325 CG GLU A 84 -18.091 5.453 18.623 1.00 17.29 C ATOM 1326 CD GLU A 84 -18.468 6.475 19.686 1.00 19.49 C ATOM 1327 OE1 GLU A 84 -18.155 7.667 19.494 1.00 18.41 O ATOM 1328 OE2 GLU A 84 -19.069 6.089 20.717 1.00 20.37 O ATOM 1329 HA GLU A 84 -18.413 3.051 17.110 1.00 0.00 H ATOM 1330 HB2 GLU A 84 -19.554 3.966 19.041 1.00 0.00 H ATOM 1331 HB3 GLU A 84 -18.071 3.847 20.018 1.00 0.00 H ATOM 1332 HG2 GLU A 84 -17.014 5.498 18.461 1.00 0.00 H ATOM 1333 HG3 GLU A 84 -18.607 5.705 17.697 1.00 0.00 H ATOM 1334 H GLU A 84 -18.798 1.562 19.508 1.00 0.00 H ATOM 1335 N LEU A 85 -15.656 2.644 18.873 1.00 16.13 N ATOM 1336 CA LEU A 85 -14.202 2.717 18.818 1.00 16.12 C ATOM 1337 C LEU A 85 -13.661 1.893 17.651 1.00 17.01 C ATOM 1338 O LEU A 85 -12.826 2.370 16.884 1.00 17.55 O ATOM 1339 CB LEU A 85 -13.593 2.241 20.141 1.00 16.81 C ATOM 1340 CG LEU A 85 -12.112 2.508 20.423 1.00 16.73 C ATOM 1341 CD1 LEU A 85 -11.702 1.855 21.731 1.00 17.23 C ATOM 1342 CD2 LEU A 85 -11.215 2.013 19.305 1.00 17.25 C ATOM 1343 HA LEU A 85 -13.917 3.757 18.659 1.00 0.00 H ATOM 1344 HB2 LEU A 85 -14.160 2.716 20.942 1.00 0.00 H ATOM 1345 HB3 LEU A 85 -13.736 1.161 20.187 1.00 0.00 H ATOM 1346 HG LEU A 85 -11.989 3.589 20.493 1.00 0.00 H ATOM 1347 HD21 LEU A 85 -11.348 0.938 19.183 1.00 0.00 H ATOM 1348 HD22 LEU A 85 -11.479 2.520 18.377 1.00 0.00 H ATOM 1349 HD23 LEU A 85 -10.175 2.226 19.554 1.00 0.00 H ATOM 1350 HD11 LEU A 85 -12.301 2.266 22.544 1.00 0.00 H ATOM 1351 HD12 LEU A 85 -11.865 0.779 21.665 1.00 0.00 H ATOM 1352 HD13 LEU A 85 -10.647 2.053 21.919 1.00 0.00 H ATOM 1353 H LEU A 85 -16.107 2.222 19.710 1.00 0.00 H ATOM 1354 N SER A 86 -14.129 0.654 17.518 1.00 18.46 N ATOM 1355 CA SER A 86 -13.722 -0.192 16.396 1.00 17.11 C ATOM 1356 C SER A 86 -14.015 0.466 15.054 1.00 17.61 C ATOM 1357 O SER A 86 -13.277 0.285 14.088 1.00 17.12 O ATOM 1358 CB SER A 86 -14.409 -1.553 16.461 1.00 19.38 C ATOM 1359 OG SER A 86 -13.716 -2.404 17.348 1.00 22.84 O ATOM 1360 HA SER A 86 -12.644 -0.331 16.480 1.00 0.00 H ATOM 1361 HB2 SER A 86 -14.420 -2.000 15.467 1.00 0.00 H ATOM 1362 HB3 SER A 86 -15.433 -1.424 16.811 1.00 0.00 H ATOM 1363 HG SER A 86 -12.786 -2.524 17.030 1.00 0.00 H ATOM 1364 H SER A 86 -14.795 0.281 18.224 1.00 0.00 H ATOM 1365 N ILE A 87 -15.104 1.220 14.999 1.00 16.15 N ATOM 1366 CA ILE A 87 -15.429 1.988 13.812 1.00 17.63 C ATOM 1367 C ILE A 87 -14.388 3.086 13.596 1.00 16.46 C ATOM 1368 O ILE A 87 -13.882 3.245 12.492 1.00 16.15 O ATOM 1369 CB ILE A 87 -16.863 2.553 13.869 1.00 18.27 C ATOM 1370 CG1 ILE A 87 -17.867 1.399 13.757 1.00 17.91 C ATOM 1371 CG2 ILE A 87 -17.083 3.554 12.748 1.00 18.46 C ATOM 1372 CD1 ILE A 87 -19.316 1.800 13.883 1.00 19.06 C ATOM 1373 HA ILE A 87 -15.399 1.319 12.952 1.00 0.00 H ATOM 1374 HB ILE A 87 -17.009 3.068 14.819 1.00 0.00 H ATOM 1375 HG12 ILE A 87 -17.730 0.925 12.785 1.00 0.00 H ATOM 1376 HG13 ILE A 87 -17.645 0.680 14.545 1.00 0.00 H ATOM 1377 HD11 ILE A 87 -19.480 2.264 14.856 1.00 0.00 H ATOM 1378 HD12 ILE A 87 -19.565 2.509 13.094 1.00 0.00 H ATOM 1379 HD13 ILE A 87 -19.946 0.915 13.790 1.00 0.00 H ATOM 1380 HG21 ILE A 87 -16.373 4.375 12.851 1.00 0.00 H ATOM 1381 HG22 ILE A 87 -16.933 3.061 11.788 1.00 0.00 H ATOM 1382 HG23 ILE A 87 -18.100 3.942 12.804 1.00 0.00 H ATOM 1383 H ILE A 87 -15.738 1.262 15.823 1.00 0.00 H ATOM 1384 N ARG A 88 -14.045 3.819 14.650 1.00 15.75 N ATOM 1385 CA ARG A 88 -12.967 4.802 14.553 1.00 15.96 C ATOM 1386 C ARG A 88 -11.708 4.163 13.974 1.00 14.84 C ATOM 1387 O ARG A 88 -11.069 4.732 13.094 1.00 15.69 O ATOM 1388 CB ARG A 88 -12.661 5.434 15.916 1.00 14.82 C ATOM 1389 CG ARG A 88 -13.783 6.315 16.446 1.00 13.29 C ATOM 1390 CD ARG A 88 -13.418 7.016 17.738 1.00 14.08 C ATOM 1391 NE ARG A 88 -14.507 7.889 18.169 1.00 14.82 N ATOM 1392 CZ ARG A 88 -14.405 8.795 19.134 1.00 14.60 C ATOM 1393 NH1 ARG A 88 -13.261 8.948 19.787 1.00 15.02 N ATOM 1394 NH2 ARG A 88 -15.450 9.546 19.445 1.00 16.10 N ATOM 1395 HA ARG A 88 -13.302 5.593 13.882 1.00 0.00 H ATOM 1396 HB2 ARG A 88 -12.482 4.634 16.635 1.00 0.00 H ATOM 1397 HB3 ARG A 88 -11.761 6.042 15.820 1.00 0.00 H ATOM 1398 HG2 ARG A 88 -14.019 7.069 15.695 1.00 0.00 H ATOM 1399 HG3 ARG A 88 -14.661 5.693 16.623 1.00 0.00 H ATOM 1400 HD2 ARG A 88 -12.519 7.613 17.582 1.00 0.00 H ATOM 1401 HD3 ARG A 88 -13.228 6.271 18.510 1.00 0.00 H ATOM 1402 HE ARG A 88 -15.424 7.794 17.687 1.00 0.00 H ATOM 1403 HH12 ARG A 88 -13.184 9.659 20.542 1.00 0.00 H ATOM 1404 HH11 ARG A 88 -12.440 8.357 19.544 1.00 0.00 H ATOM 1405 HH22 ARG A 88 -15.373 10.257 20.200 1.00 0.00 H ATOM 1406 HH21 ARG A 88 -16.348 9.425 18.934 1.00 0.00 H ATOM 1407 H ARG A 88 -14.548 3.692 15.552 1.00 0.00 H ATOM 1408 N LYS A 89 -11.352 2.978 14.460 1.00 16.22 N ATOM 1409 CA LYS A 89 -10.156 2.297 13.964 1.00 16.16 C ATOM 1410 C LYS A 89 -10.279 1.952 12.484 1.00 16.30 C ATOM 1411 O LYS A 89 -9.343 2.152 11.708 1.00 15.85 O ATOM 1412 CB LYS A 89 -9.867 1.030 14.770 1.00 16.21 C ATOM 1413 CG LYS A 89 -9.240 1.282 16.123 1.00 16.16 C ATOM 1414 CD LYS A 89 -9.377 0.059 17.003 1.00 15.86 C ATOM 1415 CE LYS A 89 -8.433 0.111 18.177 1.00 18.41 C ATOM 1416 NZ LYS A 89 -8.556 -1.110 19.032 1.00 17.57 N ATOM 1417 HA LYS A 89 -9.323 2.989 14.087 1.00 0.00 H ATOM 1418 HB2 LYS A 89 -10.807 0.500 14.923 1.00 0.00 H ATOM 1419 HB3 LYS A 89 -9.189 0.404 14.190 1.00 0.00 H ATOM 1420 HG2 LYS A 89 -8.183 1.514 15.992 1.00 0.00 H ATOM 1421 HG3 LYS A 89 -9.740 2.126 16.599 1.00 0.00 H ATOM 1422 HD2 LYS A 89 -10.400 0.003 17.374 1.00 0.00 H ATOM 1423 HD3 LYS A 89 -9.157 -0.829 16.411 1.00 0.00 H ATOM 1424 HE2 LYS A 89 -8.663 0.990 18.779 1.00 0.00 H ATOM 1425 HE3 LYS A 89 -7.410 0.183 17.807 1.00 0.00 H ATOM 1426 HZ1 LYS A 89 -9.529 -1.182 19.393 1.00 0.00 H ATOM 1427 HZ2 LYS A 89 -8.332 -1.953 18.465 1.00 0.00 H ATOM 1428 HZ3 LYS A 89 -7.893 -1.041 19.830 1.00 0.00 H ATOM 1429 H LYS A 89 -11.929 2.531 15.200 1.00 0.00 H ATOM 1430 N ALA A 90 -11.438 1.430 12.097 1.00 16.59 N ATOM 1431 CA ALA A 90 -11.671 1.049 10.712 1.00 16.64 C ATOM 1432 C ALA A 90 -11.680 2.265 9.792 1.00 16.82 C ATOM 1433 O ALA A 90 -11.359 2.163 8.609 1.00 16.51 O ATOM 1434 CB ALA A 90 -12.973 0.274 10.584 1.00 18.88 C ATOM 1435 HA ALA A 90 -10.848 0.405 10.402 1.00 0.00 H ATOM 1436 HB1 ALA A 90 -12.920 -0.627 11.195 1.00 0.00 H ATOM 1437 HB2 ALA A 90 -13.800 0.897 10.924 1.00 0.00 H ATOM 1438 HB3 ALA A 90 -13.129 -0.002 9.541 1.00 0.00 H ATOM 1439 H ALA A 90 -12.194 1.291 12.798 1.00 0.00 H ATOM 1440 N PHE A 91 -12.056 3.419 10.329 1.00 17.04 N ATOM 1441 CA PHE A 91 -12.048 4.633 9.528 1.00 17.06 C ATOM 1442 C PHE A 91 -10.621 5.023 9.205 1.00 16.20 C ATOM 1443 O PHE A 91 -10.286 5.325 8.060 1.00 16.26 O ATOM 1444 CB PHE A 91 -12.738 5.781 10.256 1.00 15.16 C ATOM 1445 CG PHE A 91 -12.532 7.107 9.597 1.00 17.09 C ATOM 1446 CD1 PHE A 91 -13.201 7.419 8.423 1.00 16.88 C ATOM 1447 CD2 PHE A 91 -11.652 8.032 10.134 1.00 16.17 C ATOM 1448 CE1 PHE A 91 -13.008 8.632 7.803 1.00 18.19 C ATOM 1449 CE2 PHE A 91 -11.455 9.252 9.523 1.00 16.69 C ATOM 1450 CZ PHE A 91 -12.133 9.554 8.354 1.00 16.86 C ATOM 1451 HA PHE A 91 -12.596 4.434 8.607 1.00 0.00 H ATOM 1452 HB2 PHE A 91 -13.808 5.575 10.293 1.00 0.00 H ATOM 1453 HB3 PHE A 91 -12.344 5.834 11.271 1.00 0.00 H ATOM 1454 HD2 PHE A 91 -11.110 7.793 11.049 1.00 0.00 H ATOM 1455 HE2 PHE A 91 -10.767 9.977 9.959 1.00 0.00 H ATOM 1456 HZ PHE A 91 -11.978 10.517 7.867 1.00 0.00 H ATOM 1457 HE1 PHE A 91 -13.541 8.867 6.882 1.00 0.00 H ATOM 1458 HD1 PHE A 91 -13.888 6.694 7.986 1.00 0.00 H ATOM 1459 H PHE A 91 -12.357 3.455 11.324 1.00 0.00 H ATOM 1460 N ILE A 92 -9.779 5.028 10.229 1.00 15.93 N ATOM 1461 CA ILE A 92 -8.380 5.365 10.038 1.00 15.06 C ATOM 1462 C ILE A 92 -7.701 4.423 9.044 1.00 17.33 C ATOM 1463 O ILE A 92 -7.021 4.872 8.119 1.00 17.08 O ATOM 1464 CB ILE A 92 -7.631 5.386 11.372 1.00 14.45 C ATOM 1465 CG1 ILE A 92 -8.099 6.590 12.194 1.00 14.36 C ATOM 1466 CG2 ILE A 92 -6.134 5.469 11.135 1.00 18.02 C ATOM 1467 CD1 ILE A 92 -7.546 6.637 13.577 1.00 16.49 C ATOM 1468 HA ILE A 92 -8.344 6.368 9.614 1.00 0.00 H ATOM 1469 HB ILE A 92 -7.843 4.467 11.918 1.00 0.00 H ATOM 1470 HG12 ILE A 92 -7.796 7.498 11.673 1.00 0.00 H ATOM 1471 HG13 ILE A 92 -9.186 6.557 12.261 1.00 0.00 H ATOM 1472 HD11 ILE A 92 -7.849 5.741 14.119 1.00 0.00 H ATOM 1473 HD12 ILE A 92 -6.458 6.684 13.530 1.00 0.00 H ATOM 1474 HD13 ILE A 92 -7.927 7.520 14.090 1.00 0.00 H ATOM 1475 HG21 ILE A 92 -5.810 4.603 10.558 1.00 0.00 H ATOM 1476 HG22 ILE A 92 -5.905 6.381 10.583 1.00 0.00 H ATOM 1477 HG23 ILE A 92 -5.616 5.483 12.094 1.00 0.00 H ATOM 1478 H ILE A 92 -10.125 4.788 11.180 1.00 0.00 H ATOM 1479 N THR A 93 -7.906 3.122 9.222 1.00 15.50 N ATOM 1480 CA THR A 93 -7.255 2.123 8.380 1.00 17.20 C ATOM 1481 C THR A 93 -7.727 2.198 6.923 1.00 17.11 C ATOM 1482 O THR A 93 -6.918 2.216 5.999 1.00 18.30 O ATOM 1483 CB THR A 93 -7.448 0.698 8.949 1.00 19.04 C ATOM 1484 OG1 THR A 93 -6.765 0.590 10.209 1.00 19.51 O ATOM 1485 CG2 THR A 93 -6.886 -0.348 7.988 1.00 21.73 C ATOM 1486 HA THR A 93 -6.189 2.351 8.387 1.00 0.00 H ATOM 1487 HB THR A 93 -8.515 0.520 9.082 1.00 0.00 H ATOM 1488 HG1 THR A 93 -7.138 1.253 10.843 1.00 0.00 H ATOM 1489 HG23 THR A 93 -7.400 -0.272 7.030 1.00 0.00 H ATOM 1490 HG21 THR A 93 -5.820 -0.173 7.845 1.00 0.00 H ATOM 1491 HG22 THR A 93 -7.039 -1.343 8.406 1.00 0.00 H ATOM 1492 H THR A 93 -8.546 2.808 9.980 1.00 0.00 H ATOM 1493 N SER A 94 -9.036 2.275 6.719 1.00 17.39 N ATOM 1494 CA SER A 94 -9.582 2.312 5.368 1.00 18.34 C ATOM 1495 C SER A 94 -9.268 3.614 4.642 1.00 18.13 C ATOM 1496 O SER A 94 -9.123 3.621 3.423 1.00 18.95 O ATOM 1497 CB SER A 94 -11.088 2.104 5.393 1.00 19.54 C ATOM 1498 OG SER A 94 -11.731 3.227 5.957 1.00 20.98 O ATOM 1499 HA SER A 94 -9.102 1.501 4.821 1.00 0.00 H ATOM 1500 HB2 SER A 94 -11.319 1.221 5.989 1.00 0.00 H ATOM 1501 HB3 SER A 94 -11.448 1.958 4.374 1.00 0.00 H ATOM 1502 HG SER A 94 -11.408 3.360 6.883 1.00 0.00 H ATOM 1503 H SER A 94 -9.681 2.309 7.534 1.00 0.00 H ATOM 1504 N THR A 95 -9.185 4.720 5.377 1.00 16.78 N ATOM 1505 CA THR A 95 -8.838 5.993 4.753 1.00 16.75 C ATOM 1506 C THR A 95 -7.362 5.998 4.371 1.00 17.80 C ATOM 1507 O THR A 95 -6.989 6.473 3.307 1.00 18.10 O ATOM 1508 CB THR A 95 -9.175 7.201 5.649 1.00 16.80 C ATOM 1509 OG1 THR A 95 -10.584 7.211 5.913 1.00 17.41 O ATOM 1510 CG2 THR A 95 -8.807 8.498 4.960 1.00 16.88 C ATOM 1511 HA THR A 95 -9.445 6.094 3.853 1.00 0.00 H ATOM 1512 HB THR A 95 -8.608 7.114 6.576 1.00 0.00 H ATOM 1513 HG1 THR A 95 -10.838 6.373 6.374 1.00 0.00 H ATOM 1514 HG23 THR A 95 -7.737 8.507 4.752 1.00 0.00 H ATOM 1515 HG21 THR A 95 -9.361 8.581 4.025 1.00 0.00 H ATOM 1516 HG22 THR A 95 -9.059 9.337 5.609 1.00 0.00 H ATOM 1517 H THR A 95 -9.368 4.677 6.400 1.00 0.00 H ATOM 1518 N ARG A 96 -6.524 5.453 5.240 1.00 16.80 N ATOM 1519 CA ARG A 96 -5.116 5.293 4.911 1.00 18.56 C ATOM 1520 C ARG A 96 -4.912 4.628 3.557 1.00 18.98 C ATOM 1521 O ARG A 96 -4.112 5.089 2.750 1.00 19.26 O ATOM 1522 CB ARG A 96 -4.408 4.464 5.976 1.00 18.80 C ATOM 1523 CG ARG A 96 -4.051 5.235 7.206 1.00 19.43 C ATOM 1524 CD ARG A 96 -2.891 4.578 7.918 1.00 19.21 C ATOM 1525 NE ARG A 96 -2.526 5.341 9.098 1.00 20.30 N ATOM 1526 CZ ARG A 96 -2.709 4.919 10.340 1.00 20.38 C ATOM 1527 NH1 ARG A 96 -3.240 3.724 10.570 1.00 19.73 N ATOM 1528 NH2 ARG A 96 -2.354 5.695 11.350 1.00 22.12 N ATOM 1529 HA ARG A 96 -4.691 6.296 4.870 1.00 0.00 H ATOM 1530 HB2 ARG A 96 -5.064 3.642 6.264 1.00 0.00 H ATOM 1531 HB3 ARG A 96 -3.491 4.062 5.545 1.00 0.00 H ATOM 1532 HG2 ARG A 96 -3.773 6.251 6.926 1.00 0.00 H ATOM 1533 HG3 ARG A 96 -4.912 5.266 7.874 1.00 0.00 H ATOM 1534 HD2 ARG A 96 -2.036 4.528 7.243 1.00 0.00 H ATOM 1535 HD3 ARG A 96 -3.177 3.569 8.216 1.00 0.00 H ATOM 1536 HE ARG A 96 -2.094 6.277 8.959 1.00 0.00 H ATOM 1537 HH12 ARG A 96 -3.382 3.397 11.547 1.00 0.00 H ATOM 1538 HH11 ARG A 96 -3.514 3.115 9.773 1.00 0.00 H ATOM 1539 HH22 ARG A 96 -2.494 5.372 12.328 1.00 0.00 H ATOM 1540 HH21 ARG A 96 -1.935 6.629 11.166 1.00 0.00 H ATOM 1541 H ARG A 96 -6.876 5.137 6.166 1.00 0.00 H ATOM 1542 N GLN A 97 -5.616 3.527 3.317 1.00 17.80 N ATOM 1543 CA GLN A 97 -5.438 2.809 2.062 1.00 19.27 C ATOM 1544 C GLN A 97 -6.060 3.565 0.892 1.00 19.60 C ATOM 1545 O GLN A 97 -5.450 3.678 -0.169 1.00 19.60 O ATOM 1546 CB GLN A 97 -5.991 1.387 2.143 1.00 21.25 C ATOM 1547 CG GLN A 97 -5.558 0.504 0.972 1.00 21.50 C ATOM 1548 CD GLN A 97 -4.061 0.201 0.972 1.00 22.69 C ATOM 1549 OE1 GLN A 97 -3.374 0.413 -0.029 1.00 21.24 O ATOM 1550 NE2 GLN A 97 -3.555 -0.315 2.091 1.00 21.66 N ATOM 1551 HA GLN A 97 -4.365 2.740 1.884 1.00 0.00 H ATOM 1552 HB2 GLN A 97 -5.641 0.931 3.069 1.00 0.00 H ATOM 1553 HB3 GLN A 97 -7.080 1.439 2.154 1.00 0.00 H ATOM 1554 HG2 GLN A 97 -6.103 -0.438 1.028 1.00 0.00 H ATOM 1555 HG3 GLN A 97 -5.809 1.013 0.042 1.00 0.00 H ATOM 1556 HE22 GLN A 97 -4.171 -0.478 2.913 1.00 0.00 H ATOM 1557 HE21 GLN A 97 -2.544 -0.555 2.142 1.00 0.00 H ATOM 1558 H GLN A 97 -6.294 3.178 4.025 1.00 0.00 H ATOM 1559 N VAL A 98 -7.265 4.090 1.084 1.00 19.52 N ATOM 1560 CA VAL A 98 -7.892 4.901 0.051 1.00 19.88 C ATOM 1561 C VAL A 98 -6.911 5.956 -0.436 1.00 19.76 C ATOM 1562 O VAL A 98 -6.695 6.097 -1.634 1.00 21.69 O ATOM 1563 CB VAL A 98 -9.163 5.599 0.553 1.00 20.02 C ATOM 1564 CG1 VAL A 98 -9.564 6.717 -0.401 1.00 21.53 C ATOM 1565 CG2 VAL A 98 -10.283 4.591 0.722 1.00 19.69 C ATOM 1566 HA VAL A 98 -8.173 4.231 -0.761 1.00 0.00 H ATOM 1567 HB VAL A 98 -8.962 6.045 1.527 1.00 0.00 H ATOM 1568 HG11 VAL A 98 -8.757 7.447 -0.463 1.00 0.00 H ATOM 1569 HG12 VAL A 98 -9.754 6.299 -1.390 1.00 0.00 H ATOM 1570 HG13 VAL A 98 -10.467 7.202 -0.031 1.00 0.00 H ATOM 1571 HG21 VAL A 98 -10.491 4.117 -0.237 1.00 0.00 H ATOM 1572 HG22 VAL A 98 -9.982 3.833 1.446 1.00 0.00 H ATOM 1573 HG23 VAL A 98 -11.178 5.101 1.079 1.00 0.00 H ATOM 1574 H VAL A 98 -7.765 3.920 1.980 1.00 0.00 H ATOM 1575 N VAL A 99 -6.316 6.694 0.495 1.00 19.41 N ATOM 1576 CA VAL A 99 -5.344 7.717 0.132 1.00 18.55 C ATOM 1577 C VAL A 99 -4.109 7.071 -0.476 1.00 21.12 C ATOM 1578 O VAL A 99 -3.607 7.515 -1.509 1.00 19.98 O ATOM 1579 CB VAL A 99 -4.944 8.578 1.346 1.00 20.99 C ATOM 1580 CG1 VAL A 99 -3.635 9.302 1.084 1.00 21.73 C ATOM 1581 CG2 VAL A 99 -6.056 9.561 1.683 1.00 19.50 C ATOM 1582 HA VAL A 99 -5.811 8.373 -0.603 1.00 0.00 H ATOM 1583 HB VAL A 99 -4.795 7.923 2.204 1.00 0.00 H ATOM 1584 HG11 VAL A 99 -2.848 8.571 0.896 1.00 0.00 H ATOM 1585 HG12 VAL A 99 -3.747 9.949 0.214 1.00 0.00 H ATOM 1586 HG13 VAL A 99 -3.373 9.903 1.955 1.00 0.00 H ATOM 1587 HG21 VAL A 99 -6.236 10.212 0.827 1.00 0.00 H ATOM 1588 HG22 VAL A 99 -6.966 9.010 1.920 1.00 0.00 H ATOM 1589 HG23 VAL A 99 -5.759 10.162 2.542 1.00 0.00 H ATOM 1590 H VAL A 99 -6.547 6.539 1.497 1.00 0.00 H ATOM 1591 N ARG A 100 -3.639 6.006 0.165 1.00 20.24 N ATOM 1592 CA ARG A 100 -2.495 5.244 -0.319 1.00 21.17 C ATOM 1593 C ARG A 100 -2.690 4.805 -1.766 1.00 19.71 C ATOM 1594 O ARG A 100 -1.748 4.806 -2.553 1.00 20.85 O ATOM 1595 CB ARG A 100 -2.274 4.014 0.568 1.00 21.90 C ATOM 1596 CG ARG A 100 -1.019 3.236 0.235 1.00 22.57 C ATOM 1597 CD ARG A 100 -0.884 1.968 1.071 1.00 24.63 C ATOM 1598 NE ARG A 100 0.525 1.649 1.302 1.00 26.86 N ATOM 1599 CZ ARG A 100 1.127 1.743 2.486 1.00 25.08 C ATOM 1600 NH1 ARG A 100 0.431 2.115 3.554 1.00 26.27 N ATOM 1601 NH2 ARG A 100 2.413 1.446 2.605 1.00 22.71 N ATOM 1602 HA ARG A 100 -1.619 5.891 -0.276 1.00 0.00 H ATOM 1603 HB2 ARG A 100 -2.208 4.345 1.604 1.00 0.00 H ATOM 1604 HB3 ARG A 100 -3.131 3.350 0.454 1.00 0.00 H ATOM 1605 HG2 ARG A 100 -1.047 2.960 -0.819 1.00 0.00 H ATOM 1606 HG3 ARG A 100 -0.153 3.872 0.420 1.00 0.00 H ATOM 1607 HD2 ARG A 100 -1.357 1.139 0.544 1.00 0.00 H ATOM 1608 HD3 ARG A 100 -1.379 2.117 2.030 1.00 0.00 H ATOM 1609 HE ARG A 100 1.092 1.329 0.491 1.00 0.00 H ATOM 1610 HH12 ARG A 100 0.899 2.189 4.480 1.00 0.00 H ATOM 1611 HH11 ARG A 100 -0.582 2.332 3.465 1.00 0.00 H ATOM 1612 HH22 ARG A 100 2.880 1.520 3.531 1.00 0.00 H ATOM 1613 HH21 ARG A 100 2.955 1.139 1.772 1.00 0.00 H ATOM 1614 H ARG A 100 -4.105 5.705 1.045 1.00 0.00 H ATOM 1615 N ASP A 101 -3.915 4.427 -2.117 1.00 19.63 N ATOM 1616 CA ASP A 101 -4.202 3.965 -3.469 1.00 20.32 C ATOM 1617 C ASP A 101 -4.130 5.109 -4.474 1.00 21.11 C ATOM 1618 O ASP A 101 -3.694 4.913 -5.608 1.00 21.66 O ATOM 1619 CB ASP A 101 -5.557 3.253 -3.545 1.00 19.89 C ATOM 1620 CG ASP A 101 -5.521 1.856 -2.942 1.00 21.42 C ATOM 1621 OD1 ASP A 101 -4.425 1.383 -2.573 1.00 19.03 O ATOM 1622 OD2 ASP A 101 -6.594 1.224 -2.845 1.00 22.78 O ATOM 1623 HA ASP A 101 -3.432 3.240 -3.732 1.00 0.00 H ATOM 1624 HB2 ASP A 101 -6.294 3.847 -3.005 1.00 0.00 H ATOM 1625 HB3 ASP A 101 -5.852 3.174 -4.591 1.00 0.00 H ATOM 1626 H ASP A 101 -4.682 4.462 -1.415 1.00 0.00 H ATOM 1627 N MET A 102 -4.550 6.303 -4.063 1.00 19.36 N ATOM 1628 CA MET A 102 -4.379 7.479 -4.904 1.00 19.74 C ATOM 1629 C MET A 102 -2.900 7.778 -5.126 1.00 22.35 C ATOM 1630 O MET A 102 -2.471 8.010 -6.256 1.00 22.74 O ATOM 1631 CB MET A 102 -5.082 8.700 -4.307 1.00 20.98 C ATOM 1632 CG MET A 102 -6.567 8.768 -4.624 1.00 21.31 C ATOM 1633 SD MET A 102 -7.330 10.366 -4.265 1.00 22.68 S ATOM 1634 CE MET A 102 -7.374 10.351 -2.471 1.00 19.58 C ATOM 1635 HA MET A 102 -4.839 7.261 -5.868 1.00 0.00 H ATOM 1636 HB2 MET A 102 -4.962 8.671 -3.224 1.00 0.00 H ATOM 1637 HB3 MET A 102 -4.605 9.598 -4.700 1.00 0.00 H ATOM 1638 HG2 MET A 102 -7.077 8.006 -4.036 1.00 0.00 H ATOM 1639 HG3 MET A 102 -6.700 8.556 -5.685 1.00 0.00 H ATOM 1640 HE1 MET A 102 -7.969 9.504 -2.130 1.00 0.00 H ATOM 1641 HE2 MET A 102 -6.359 10.262 -2.085 1.00 0.00 H ATOM 1642 HE3 MET A 102 -7.821 11.278 -2.112 1.00 0.00 H ATOM 1643 H MET A 102 -5.005 6.397 -3.132 1.00 0.00 H ATOM 1644 N LYS A 103 -2.120 7.773 -4.048 1.00 21.34 N ATOM 1645 CA LYS A 103 -0.691 8.085 -4.144 1.00 23.58 C ATOM 1646 C LYS A 103 0.051 7.107 -5.054 1.00 22.09 C ATOM 1647 O LYS A 103 0.959 7.492 -5.787 1.00 24.00 O ATOM 1648 CB LYS A 103 -0.041 8.129 -2.756 1.00 22.72 C ATOM 1649 CG LYS A 103 -0.706 9.105 -1.797 1.00 22.86 C ATOM 1650 CD LYS A 103 0.307 9.813 -0.918 1.00 24.58 C ATOM 1651 CE LYS A 103 1.011 8.846 0.002 1.00 24.77 C ATOM 1652 NZ LYS A 103 2.165 9.501 0.692 1.00 24.85 N ATOM 1653 HA LYS A 103 -0.612 9.074 -4.594 1.00 0.00 H ATOM 1654 HB2 LYS A 103 -0.091 7.131 -2.321 1.00 0.00 H ATOM 1655 HB3 LYS A 103 1.003 8.420 -2.874 1.00 0.00 H ATOM 1656 HG2 LYS A 103 -1.253 9.850 -2.375 1.00 0.00 H ATOM 1657 HG3 LYS A 103 -1.402 8.557 -1.162 1.00 0.00 H ATOM 1658 HD2 LYS A 103 1.047 10.302 -1.552 1.00 0.00 H ATOM 1659 HD3 LYS A 103 -0.207 10.563 -0.318 1.00 0.00 H ATOM 1660 HE2 LYS A 103 1.378 8.002 -0.582 1.00 0.00 H ATOM 1661 HE3 LYS A 103 0.304 8.489 0.751 1.00 0.00 H ATOM 1662 HZ1 LYS A 103 2.845 9.840 -0.018 1.00 0.00 H ATOM 1663 HZ2 LYS A 103 1.820 10.305 1.255 1.00 0.00 H ATOM 1664 HZ3 LYS A 103 2.630 8.812 1.318 1.00 0.00 H ATOM 1665 H LYS A 103 -2.532 7.544 -3.121 1.00 0.00 H ATOM 1666 N ASP A 104 -0.349 5.844 -5.011 1.00 21.76 N ATOM 1667 CA ASP A 104 0.268 4.825 -5.852 1.00 22.47 C ATOM 1668 C ASP A 104 0.028 5.078 -7.331 1.00 22.45 C ATOM 1669 O ASP A 104 0.930 4.927 -8.151 1.00 23.99 O ATOM 1670 CB ASP A 104 -0.238 3.433 -5.478 1.00 21.32 C ATOM 1671 CG ASP A 104 0.548 2.826 -4.347 1.00 22.17 C ATOM 1672 OD1 ASP A 104 1.751 3.145 -4.227 1.00 24.51 O ATOM 1673 OD2 ASP A 104 -0.031 2.037 -3.580 1.00 21.47 O ATOM 1674 HA ASP A 104 1.342 4.879 -5.673 1.00 0.00 H ATOM 1675 HB2 ASP A 104 -1.283 3.508 -5.178 1.00 0.00 H ATOM 1676 HB3 ASP A 104 -0.157 2.784 -6.350 1.00 0.00 H ATOM 1677 H ASP A 104 -1.118 5.575 -4.365 1.00 0.00 H ATOM 1678 N GLN A 105 -1.194 5.456 -7.674 1.00 21.78 N ATOM 1679 CA GLN A 105 -1.525 5.700 -9.065 1.00 21.15 C ATOM 1680 C GLN A 105 -0.979 7.047 -9.534 1.00 23.04 C ATOM 1681 O GLN A 105 -1.144 7.414 -10.694 1.00 24.03 O ATOM 1682 CB GLN A 105 -3.033 5.621 -9.277 1.00 21.02 C ATOM 1683 CG GLN A 105 -3.649 4.326 -8.777 1.00 20.79 C ATOM 1684 CD GLN A 105 -5.077 4.163 -9.232 1.00 19.92 C ATOM 1685 OE1 GLN A 105 -6.013 4.325 -8.450 1.00 22.09 O ATOM 1686 NE2 GLN A 105 -5.256 3.843 -10.509 1.00 20.83 N ATOM 1687 HA GLN A 105 -1.052 4.924 -9.666 1.00 0.00 H ATOM 1688 HB2 GLN A 105 -3.500 6.452 -8.748 1.00 0.00 H ATOM 1689 HB3 GLN A 105 -3.237 5.711 -10.344 1.00 0.00 H ATOM 1690 HG2 GLN A 105 -3.062 3.489 -9.155 1.00 0.00 H ATOM 1691 HG3 GLN A 105 -3.625 4.323 -7.687 1.00 0.00 H ATOM 1692 HE22 GLN A 105 -4.434 3.716 -11.133 1.00 0.00 H ATOM 1693 HE21 GLN A 105 -6.218 3.719 -10.884 1.00 0.00 H ATOM 1694 H GLN A 105 -1.921 5.579 -6.941 1.00 0.00 H ATOM 1695 N MET A 106 -0.321 7.773 -8.632 1.00 23.83 N ATOM 1696 CA MET A 106 0.315 9.046 -8.981 1.00 25.68 C ATOM 1697 C MET A 106 1.835 8.932 -9.080 1.00 28.06 C ATOM 1698 O MET A 106 2.403 9.052 -10.169 1.00 30.43 O ATOM 1699 CB MET A 106 -0.049 10.151 -7.980 1.00 24.11 C ATOM 1700 CG MET A 106 -1.500 10.598 -8.040 1.00 23.73 C ATOM 1701 SD MET A 106 -1.845 12.052 -7.016 1.00 26.75 S ATOM 1702 CE MET A 106 -0.877 13.311 -7.852 1.00 23.91 C ATOM 1703 HA MET A 106 -0.071 9.312 -9.965 1.00 0.00 H ATOM 1704 HB2 MET A 106 0.153 9.781 -6.975 1.00 0.00 H ATOM 1705 HB3 MET A 106 0.583 11.016 -8.181 1.00 0.00 H ATOM 1706 HG2 MET A 106 -2.130 9.777 -7.698 1.00 0.00 H ATOM 1707 HG3 MET A 106 -1.746 10.837 -9.075 1.00 0.00 H ATOM 1708 HE1 MET A 106 0.174 13.020 -7.851 1.00 0.00 H ATOM 1709 HE2 MET A 106 -1.226 13.413 -8.880 1.00 0.00 H ATOM 1710 HE3 MET A 106 -0.993 14.262 -7.332 1.00 0.00 H ATOM 1711 H MET A 106 -0.257 7.427 -7.653 1.00 0.00 H ATOM 1712 N SER A 107 2.481 8.706 -7.937 1.00 28.22 N ATOM 1713 CA SER A 107 3.941 8.672 -7.842 1.00 29.93 C ATOM 1714 C SER A 107 4.542 7.539 -8.668 1.00 32.09 C ATOM 1715 O SER A 107 5.560 7.720 -9.345 1.00 33.12 O ATOM 1716 CB SER A 107 4.382 8.541 -6.378 1.00 30.40 C ATOM 1717 OG SER A 107 3.492 9.219 -5.502 1.00 30.76 O ATOM 1718 HA SER A 107 4.311 9.613 -8.249 1.00 0.00 H ATOM 1719 HB2 SER A 107 5.379 8.967 -6.269 1.00 0.00 H ATOM 1720 HB3 SER A 107 4.408 7.485 -6.109 1.00 0.00 H ATOM 1721 HG SER A 107 3.468 10.180 -5.737 1.00 0.00 H ATOM 1722 H SER A 107 1.923 8.547 -7.074 1.00 0.00 H ATOM 1723 N THR A 108 3.911 6.371 -8.596 1.00 30.68 N ATOM 1724 CA THR A 108 4.311 5.221 -9.401 1.00 32.13 C ATOM 1725 C THR A 108 5.779 4.855 -9.197 1.00 32.99 C ATOM 1726 O THR A 108 6.111 3.696 -8.946 1.00 33.57 O ATOM 1727 CB THR A 108 4.053 5.471 -10.900 1.00 32.63 C ATOM 1728 OG1 THR A 108 4.926 6.503 -11.376 1.00 33.55 O ATOM 1729 CG2 THR A 108 2.611 5.895 -11.122 1.00 30.28 C ATOM 1730 HA THR A 108 3.699 4.385 -9.063 1.00 0.00 H ATOM 1731 HB THR A 108 4.244 4.547 -11.446 1.00 0.00 H ATOM 1732 HG1 THR A 108 4.756 7.337 -10.870 1.00 0.00 H ATOM 1733 HG23 THR A 108 1.944 5.112 -10.761 1.00 0.00 H ATOM 1734 HG21 THR A 108 2.417 6.819 -10.577 1.00 0.00 H ATOM 1735 HG22 THR A 108 2.441 6.057 -12.186 1.00 0.00 H ATOM 1736 H THR A 108 3.106 6.274 -7.945 1.00 0.00 H TER 1737 THR A 108 HETATM 1738 O HOH 1 -10.262 8.256 19.749 1.00 13.47 O HETATM 1739 O HOH 2 5.986 22.883 -14.583 1.00 19.10 O HETATM 1740 O HOH 3 -17.364 5.415 15.222 1.00 16.89 O HETATM 1741 O HOH 4 1.781 13.527 16.159 1.00 19.95 O HETATM 1742 O HOH 5 -19.794 6.063 23.276 1.00 18.83 O HETATM 1743 O HOH 6 -20.603 19.526 16.623 1.00 15.84 O HETATM 1744 O HOH 7 3.976 14.522 12.615 1.00 14.01 O HETATM 1745 O HOH 8 4.340 13.051 14.905 1.00 13.73 O HETATM 1746 O HOH 9 -15.418 6.684 13.258 1.00 16.83 O HETATM 1747 O HOH 10 -0.601 25.755 -12.465 1.00 17.24 O HETATM 1748 O HOH 11 -4.303 7.646 27.834 1.00 20.80 O HETATM 1749 O HOH 12 -21.533 -1.776 21.121 1.00 21.05 O HETATM 1750 O HOH 13 -12.341 2.406 25.651 1.00 22.89 O HETATM 1751 O HOH 14 -8.405 5.676 -3.695 1.00 21.09 O HETATM 1752 O HOH 15 1.231 17.041 15.057 1.00 17.84 O HETATM 1753 O HOH 16 -11.715 18.933 4.668 1.00 18.76 O HETATM 1754 O HOH 17 -17.344 17.915 10.518 1.00 18.76 O HETATM 1755 O HOH 18 -4.015 17.368 12.451 1.00 16.05 O HETATM 1756 O HOH 19 0.597 14.794 14.003 1.00 19.07 O HETATM 1757 O HOH 20 -0.337 21.997 -2.590 1.00 23.57 O HETATM 1758 O HOH 21 -12.586 17.693 -6.476 1.00 17.99 O HETATM 1759 O HOH 22 -16.956 13.933 26.962 1.00 24.44 O HETATM 1760 O HOH 23 -9.345 20.938 -14.376 1.00 22.90 O HETATM 1761 O HOH 24 -11.324 -2.088 13.258 1.00 21.87 O HETATM 1762 O HOH 25 -13.301 -0.723 20.481 1.00 20.74 O HETATM 1763 O HOH 26 4.069 19.562 -15.515 1.00 24.21 O HETATM 1764 O HOH 27 -11.138 -1.529 18.792 1.00 20.72 O HETATM 1765 O HOH 28 -3.081 2.898 23.794 1.00 22.09 O HETATM 1766 O HOH 29 -15.958 17.246 -0.633 1.00 20.29 O HETATM 1767 O HOH 30 -8.934 -1.307 11.757 1.00 19.29 O HETATM 1768 O HOH 31 1.234 1.433 -1.432 1.00 21.34 O HETATM 1769 O HOH 32 -19.521 9.627 4.405 1.00 26.13 O HETATM 1770 O HOH 33 -2.002 0.541 -4.461 1.00 21.16 O HETATM 1771 O HOH 34 -11.725 9.091 -7.922 1.00 24.16 O HETATM 1772 O HOH 35 -19.863 15.857 27.099 1.00 22.72 O HETATM 1773 O HOH 36 -11.566 -2.836 15.917 1.00 25.08 O HETATM 1774 O HOH 37 -0.611 3.938 24.340 1.00 25.59 O HETATM 1775 O HOH 38 -2.215 24.502 -6.602 1.00 20.75 O HETATM 1776 O HOH 39 3.963 11.737 1.136 1.00 22.96 O HETATM 1777 O HOH 40 -8.859 18.999 9.190 1.00 19.00 O HETATM 1778 O HOH 41 0.222 25.529 -20.113 1.00 20.08 O HETATM 1779 O HOH 42 -18.321 8.721 25.084 1.00 21.66 O HETATM 1780 O HOH 43 2.274 18.809 -17.899 1.00 19.63 O HETATM 1781 O HOH 44 -8.237 -0.592 26.098 1.00 24.33 O HETATM 1782 O HOH 45 -11.091 8.269 -10.563 1.00 23.67 O HETATM 1783 O HOH 46 -5.173 10.543 29.055 1.00 24.33 O HETATM 1784 O HOH 47 -0.965 9.385 9.010 1.00 19.59 O HETATM 1785 O HOH 48 -4.986 -3.124 1.920 1.00 25.47 O HETATM 1786 O HOH 49 -18.268 14.956 2.606 1.00 21.88 O HETATM 1787 O HOH 50 -5.311 0.641 29.601 1.00 25.25 O HETATM 1788 O HOH 51 -4.236 1.793 12.440 1.00 25.37 O HETATM 1789 O HOH 52 -14.041 7.362 0.363 1.00 24.06 O HETATM 1790 O HOH 53 -15.954 10.805 -3.817 1.00 22.21 O HETATM 1791 O HOH 54 -10.416 0.247 25.280 1.00 22.49 O HETATM 1792 O HOH 55 5.028 17.287 -14.890 1.00 29.29 O HETATM 1793 O HOH 56 -15.703 3.079 9.902 1.00 21.31 O HETATM 1794 O HOH 57 -0.439 18.496 -24.280 1.00 31.00 O HETATM 1795 O HOH 58 -8.429 20.768 -12.146 1.00 19.88 O HETATM 1796 O HOH 59 -23.911 1.612 23.027 1.00 22.63 O HETATM 1797 O HOH 60 -15.040 18.428 -5.312 1.00 19.32 O HETATM 1798 O HOH 61 -18.774 14.300 11.259 1.00 21.17 O HETATM 1799 O HOH 62 -9.530 19.630 6.060 1.00 18.74 O HETATM 1800 O HOH 63 -12.408 9.002 4.108 1.00 20.51 O HETATM 1801 O HOH 64 -15.469 13.155 -5.119 1.00 21.66 O HETATM 1802 O HOH 65 -12.189 6.747 1.993 1.00 21.76 O HETATM 1803 O HOH 66 0.562 20.234 -22.155 1.00 26.42 O HETATM 1804 O HOH 67 -6.453 2.451 13.208 1.00 18.69 O HETATM 1805 O HOH 68 1.314 23.588 -21.787 1.00 25.24 O HETATM 1806 O HOH 69 -12.473 4.476 3.270 1.00 20.46 O HETATM 1807 O HOH 70 1.361 12.756 -2.697 1.00 24.46 O HETATM 1808 O HOH 71 2.580 13.943 -6.631 1.00 27.65 O HETATM 1809 O HOH 72 -13.376 4.309 27.128 1.00 21.80 O HETATM 1810 O HOH 73 -9.794 22.293 -18.840 1.00 25.88 O HETATM 1811 O HOH 74 2.378 18.686 -11.985 1.00 21.65 O HETATM 1812 O HOH 75 -3.706 1.697 21.580 1.00 22.17 O HETATM 1813 O HOH 76 -9.409 8.242 -12.339 1.00 23.59 O HETATM 1814 O HOH 77 -14.715 3.575 3.664 1.00 23.62 O HETATM 1815 O HOH 78 -15.269 5.017 1.467 1.00 23.65 O HETATM 1816 O HOH 79 0.712 12.184 -5.183 1.00 26.59 O HETATM 1817 O HOH 80 -18.506 13.779 23.468 1.00 22.41 O HETATM 1818 O HOH 81 -0.324 23.279 -23.475 1.00 24.05 O HETATM 1819 O HOH 82 0.569 16.263 -21.811 1.00 28.27 O HETATM 1820 O HOH 83 2.559 9.809 4.330 1.00 23.89 O HETATM 1821 O HOH 84 -7.701 -0.531 29.160 1.00 27.73 O HETATM 1822 O HOH 85 2.292 13.448 -8.877 1.00 27.78 O HETATM 1823 O HOH 86 -14.448 3.434 7.588 1.00 21.32 O HETATM 1824 O HOH 87 -4.053 8.832 -17.341 1.00 26.86 O HETATM 1825 O HOH 88 -8.444 0.921 -6.747 1.00 24.50 O HETATM 1826 O HOH 89 -1.978 6.699 3.198 1.00 22.42 O HETATM 1827 O HOH 90 -13.266 -0.776 23.472 1.00 24.81 O HETATM 1828 O HOH 91 -8.187 0.875 -0.563 1.00 20.88 O HETATM 1829 O HOH 92 -11.788 -0.595 7.286 1.00 22.36 O HETATM 1830 O HOH 93 -16.645 6.032 3.397 1.00 24.98 O HETATM 1831 O HOH 94 6.328 20.827 -15.645 1.00 23.97 O HETATM 1832 O HOH 95 -12.426 -2.680 22.514 1.00 24.00 O HETATM 1833 O HOH 96 -1.535 4.681 -12.857 1.00 22.69 O HETATM 1834 O HOH 97 -7.447 19.398 2.317 1.00 22.64 O HETATM 1835 O HOH 98 -9.341 0.997 1.512 1.00 22.97 O HETATM 1836 O HOH 99 -15.808 5.148 6.171 1.00 25.23 O HETATM 1837 O HOH 100 -7.482 22.024 3.052 1.00 25.56 O HETATM 1838 O HOH 101 2.123 19.870 -20.254 1.00 24.28 O HETATM 1839 O HOH 102 -16.903 14.496 -8.011 1.00 28.34 O HETATM 1840 O HOH 103 -18.455 12.999 4.885 1.00 24.25 O HETATM 1841 O HOH 104 -14.091 0.980 6.942 1.00 24.65 O HETATM 1842 O HOH 105 4.722 13.931 -2.620 1.00 25.45 O HETATM 1843 O HOH 106 -0.771 14.870 17.792 1.00 21.34 O HETATM 1844 O HOH 107 -21.732 8.888 6.080 1.00 25.22 O HETATM 1845 O HOH 108 -3.225 20.734 3.110 1.00 22.39 O HETATM 1846 O HOH 109 2.460 21.207 -9.494 1.00 24.33 O HETATM 1847 O HOH 110 -5.883 -0.655 -4.731 1.00 21.48 O HETATM 1848 O HOH 111 -15.891 -1.787 12.789 1.00 20.92 O HETATM 1849 O HOH 112 -2.092 1.425 -2.133 1.00 24.53 O HETATM 1850 O HOH 113 -13.552 -2.978 12.764 1.00 25.58 O HETATM 1851 O HOH 114 3.992 24.257 -7.101 1.00 22.84 O HETATM 1852 O HOH 115 -7.040 -2.769 13.318 1.00 25.92 O HETATM 1853 O HOH 116 -21.870 10.581 3.704 1.00 26.58 O HETATM 1854 O HOH 117 -14.036 1.538 23.947 1.00 21.68 O HETATM 1855 O HOH 118 -12.452 -5.310 17.497 1.00 24.77 O HETATM 1856 O HOH 119 -12.396 20.015 2.584 1.00 24.45 O HETATM 1857 O HOH 120 -2.729 7.836 29.720 1.00 25.23 O HETATM 1858 O HOH 121 -5.288 -2.177 20.636 1.00 22.67 O HETATM 1859 O HOH 122 -19.678 5.737 14.123 1.00 17.81 O HETATM 1860 O HOH 123 -15.297 16.197 -7.060 1.00 26.67 O HETATM 1861 O HOH 124 -1.508 15.581 -20.576 1.00 30.67 O HETATM 1862 O HOH 125 4.078 19.747 -10.345 1.00 26.29 O HETATM 1863 O HOH 126 -3.392 14.114 -26.592 1.00 32.53 O HETATM 1864 O HOH 127 -11.644 0.917 2.184 1.00 22.48 O HETATM 1865 O HOH 128 1.936 21.764 -23.484 1.00 26.46 O HETATM 1866 O HOH 129 -17.350 3.588 4.252 1.00 26.22 O HETATM 1867 O HOH 130 1.552 11.719 -10.439 1.00 29.56 O HETATM 1868 O HOH 131 3.061 11.608 -4.733 1.00 30.96 O HETATM 1869 O HOH 132 -21.351 3.744 4.512 1.00 29.40 O HETATM 1870 O HOH 133 4.038 8.690 -2.443 1.00 23.92 O HETATM 1871 O HOH 134 -2.465 3.700 30.561 1.00 24.56 O HETATM 1872 O HOH 135 3.450 21.699 -25.540 1.00 26.23 O HETATM 1873 O HOH 136 -21.059 1.497 3.234 1.00 30.10 O HETATM 1874 O HOH 137 -14.897 9.480 3.047 1.00 22.35 O HETATM 1875 O HOH 138 -22.368 4.415 2.010 1.00 27.97 O HETATM 1876 O HOH 139 3.642 23.249 -27.513 1.00 25.62 O HETATM 1877 O HOH 140 -19.904 4.662 1.781 1.00 28.23 O HETATM 1878 O HOH 141 -19.180 18.096 8.725 1.00 24.38 O HETATM 1879 O HOH 142 -7.577 22.729 -0.321 1.00 23.61 O HETATM 1880 O HOH 143 -16.149 11.158 28.396 1.00 25.43 O HETATM 1881 O HOH 144 -10.875 0.465 -5.493 1.00 23.55 O HETATM 1882 O HOH 145 -2.026 1.997 25.902 1.00 25.58 O HETATM 1883 O HOH 146 -19.686 12.782 0.679 1.00 27.99 O HETATM 1884 O HOH 147 2.108 25.618 -12.977 1.00 20.49 O HETATM 1885 O HOH 148 -14.762 1.779 26.519 1.00 25.72 O HETATM 1886 O HOH 149 -16.691 8.084 16.445 1.00 17.63 O HETATM 1887 O HOH 150 -16.664 5.358 10.246 1.00 21.90 O HETATM 1888 O HOH 151 -16.102 9.208 14.076 1.00 16.80 O HETATM 1889 O HOH 152 -4.417 -4.162 23.190 1.00 29.01 O HETATM 1890 O HOH 153 -6.749 24.446 4.577 1.00 24.93 O HETATM 1891 O HOH 154 -16.185 13.401 29.442 1.00 27.73 O HETATM 1892 O HOH 155 -15.433 21.233 9.658 1.00 24.36 O HETATM 1893 O HOH 156 -3.849 -5.944 20.796 1.00 28.23 O HETATM 1894 O HOH 157 1.154 20.610 -3.719 1.00 25.39 O HETATM 1895 O HOH 158 -5.674 1.372 31.925 1.00 26.70 O HETATM 1896 O HOH 159 2.349 16.349 -12.603 1.00 27.86 O HETATM 1897 O HOH 160 -10.769 4.165 -3.851 1.00 27.04 O HETATM 1898 O HOH 161 5.398 19.729 -18.385 1.00 28.39 O HETATM 1899 O HOH 162 2.360 15.141 -15.154 1.00 28.03 O HETATM 1900 O HOH 163 -10.536 -1.144 28.011 1.00 30.27 O HETATM 1901 O HOH 164 -9.433 -1.503 7.856 1.00 22.15 O HETATM 1902 O HOH 165 -15.198 22.972 4.753 1.00 23.48 O HETATM 1903 O HOH 166 -10.216 6.816 -6.888 1.00 27.28 O HETATM 1904 O HOH 167 -2.263 3.704 33.875 1.00 26.20 O HETATM 1905 O HOH 168 6.998 18.840 -9.287 1.00 25.63 O HETATM 1906 O HOH 169 -1.259 7.131 34.347 1.00 31.25 O HETATM 1907 O HOH 170 6.998 16.225 -8.620 1.00 30.90 O HETATM 1908 O HOH 171 2.369 14.088 -11.496 1.00 28.45 O HETATM 1909 O HOH 172 6.261 13.992 -7.594 1.00 30.54 O HETATM 1910 O HOH 173 -9.585 9.121 -6.690 1.00 23.34 O HETATM 1911 O HOH 174 -4.699 4.545 32.828 1.00 23.82 O HETATM 1912 O HOH 175 -14.141 21.980 1.841 1.00 26.77 O HETATM 1913 O HOH 176 -19.113 6.905 4.268 1.00 30.16 O HETATM 1914 O HOH 177 -10.366 14.664 -20.494 1.00 25.69 O HETATM 1915 O HOH 178 -13.064 15.545 -20.341 1.00 27.05 O HETATM 1916 O HOH 179 -18.269 11.877 -7.562 1.00 30.20 O HETATM 1917 O HOH 180 -14.656 15.733 29.074 1.00 21.68 O HETATM 1918 O HOH 181 -0.308 5.412 -15.114 1.00 24.95 O HETATM 1919 O HOH 182 -13.099 20.199 0.214 1.00 24.11 O HETATM 1920 O HOH 183 -7.000 -5.671 23.462 1.00 32.00 O HETATM 1921 O HOH 184 -13.552 15.196 -11.071 1.00 25.54 O HETATM 1922 O HOH 185 0.723 7.735 -12.523 1.00 25.35 O HETATM 1923 O HOH 186 1.441 11.136 8.289 1.00 20.75 O HETATM 1924 O HOH 187 -5.501 19.314 8.342 1.00 21.38 O HETATM 1925 O HOH 188 -8.197 16.616 5.980 1.00 21.71 O HETATM 1926 O HOH 189 -15.446 11.723 -7.977 1.00 25.61 O HETATM 1927 O HOH 190 -8.989 2.526 -2.839 1.00 22.63 O HETATM 1928 O HOH 191 -15.744 10.069 -1.116 1.00 25.71 O HETATM 1929 O HOH 192 -8.968 15.854 29.934 1.00 28.21 O HETATM 1930 O HOH 193 -12.631 23.407 -19.257 1.00 25.36 O HETATM 1931 O HOH 194 -2.203 8.041 -14.917 1.00 26.54 O HETATM 1932 O HOH 195 -20.722 16.731 24.763 1.00 24.50 O HETATM 1933 O HOH 196 -12.543 23.564 3.970 1.00 26.03 O HETATM 1934 O HOH 197 -17.551 20.843 10.562 1.00 19.13 O HETATM 1935 O HOH 198 -5.104 7.651 34.297 1.00 28.59 O HETATM 1936 O HOH 199 -24.239 -2.302 21.272 1.00 23.98 O HETATM 1937 O HOH 200 -1.538 25.305 -23.949 1.00 25.58 O HETATM 1938 O HOH 201 -2.626 -3.510 2.520 1.00 25.45 O HETATM 1939 O HOH 202 -5.921 17.272 -30.061 1.00 30.60 O HETATM 1940 O HOH 203 -16.567 0.533 9.331 1.00 23.18 O HETATM 1941 O HOH 204 -12.581 -5.632 22.630 1.00 22.86 O HETATM 1942 O HOH 205 3.687 11.102 -9.178 1.00 31.32 O HETATM 1943 O HOH 206 -9.779 -3.244 6.275 1.00 29.63 O HETATM 1944 O HOH 207 -4.442 14.452 29.396 1.00 31.49 O HETATM 1945 O HOH 208 2.018 0.252 4.595 1.00 26.07 O HETATM 1946 O HOH 209 -10.637 12.795 33.870 1.00 34.21 O HETATM 1947 O HOH 210 -0.662 26.209 -9.993 1.00 20.85 O HETATM 1948 O HOH 211 -8.725 3.854 -5.574 1.00 27.12 O HETATM 1949 O HOH 212 -4.215 26.446 -22.021 1.00 23.17 O HETATM 1950 O HOH 213 -20.810 -1.135 4.688 1.00 31.79 O HETATM 1951 O HOH 214 -10.291 -1.368 -4.016 1.00 22.63 O HETATM 1952 O HOH 215 -19.552 22.325 24.110 1.00 23.48 O HETATM 1953 O HOH 216 -21.729 20.048 23.904 1.00 22.50 O HETATM 1954 O HOH 217 -8.771 -1.174 3.615 1.00 23.55 O HETATM 1955 O HOH 218 -9.306 -3.607 27.803 1.00 27.04 O HETATM 1956 O HOH 219 0.601 7.977 28.329 1.00 28.91 O HETATM 1957 O HOH 220 -1.881 8.589 27.096 1.00 23.58 O HETATM 1958 O HOH 221 5.096 6.246 -3.688 1.00 29.61 O HETATM 1959 O HOH 222 -13.504 5.342 5.218 1.00 23.39 O HETATM 1960 O HOH 223 -18.536 9.150 2.088 1.00 29.47 O HETATM 1961 O HOH 224 -18.619 11.659 2.578 1.00 26.90 O HETATM 1962 O HOH 225 -8.170 -0.691 -5.097 1.00 24.43 O HETATM 1963 O HOH 226 -0.160 6.980 36.717 1.00 26.49 O HETATM 1964 O HOH 227 0.985 -0.659 -4.073 1.00 22.92 O HETATM 1965 O HOH 228 -10.546 20.094 0.620 1.00 24.76 O HETATM 1966 O HOH 229 0.844 24.393 -9.947 1.00 23.00 O HETATM 1967 O HOH 230 -14.667 0.095 28.041 1.00 26.65 O HETATM 1968 O HOH 231 2.477 24.686 -3.820 1.00 22.23 O HETATM 1969 O HOH 232 4.305 4.198 -13.665 1.00 31.50 O HETATM 1970 O HOH 233 -16.996 0.993 4.151 1.00 29.83 O HETATM 1971 O HOH 234 -14.512 10.774 24.535 1.00 20.07 O HETATM 1972 O HOH 235 -8.729 22.267 15.244 1.00 18.05 O HETATM 1973 O HOH 236 1.417 16.624 17.537 1.00 20.27 O HETATM 1974 O HOH 237 -5.219 23.675 14.602 1.00 21.87 O HETATM 1975 O HOH 238 6.038 13.247 24.937 1.00 19.87 O HETATM 1976 O HOH 239 -7.289 21.426 9.722 1.00 21.69 O HETATM 1977 O HOH 240 -6.256 24.022 20.930 1.00 20.20 O HETATM 1978 O HOH 241 -0.901 12.862 24.723 1.00 21.81 O HETATM 1979 O HOH 242 -5.094 23.356 12.102 1.00 26.65 O HETATM 1980 O HOH 243 -5.189 20.107 11.685 1.00 17.63 O HETATM 1981 O HOH 244 -4.267 23.908 23.178 1.00 23.66 O HETATM 1982 O HOH 245 2.954 21.256 19.639 1.00 27.62 O HETATM 1983 O HOH 246 -9.167 24.324 16.542 1.00 20.94 O HETATM 1984 O HOH 247 4.943 20.873 25.413 1.00 24.69 O HETATM 1985 O HOH 248 -8.034 23.487 13.097 1.00 22.51 O HETATM 1986 O HOH 249 6.128 18.242 22.010 1.00 23.75 O HETATM 1987 O HOH 250 -0.776 15.654 27.459 1.00 23.32 O HETATM 1988 O HOH 251 -11.364 15.007 27.983 1.00 25.29 O HETATM 1989 O HOH 252 0.642 15.875 19.847 1.00 25.22 O HETATM 1990 O HOH 253 -4.338 12.812 27.565 1.00 25.88 O HETATM 1991 O HOH 254 -2.032 19.003 25.127 1.00 24.29 O HETATM 1992 O HOH 255 7.211 17.878 25.140 1.00 23.05 O HETATM 1993 O HOH 256 -5.032 22.478 25.817 1.00 22.27 O HETATM 1994 O HOH 257 6.335 19.341 27.101 1.00 23.88 O HETATM 1995 O HOH 258 6.014 16.214 23.654 1.00 24.57 O HETATM 1996 O HOH 259 2.082 23.463 18.100 1.00 26.28 O HETATM 1997 O HOH 260 0.136 11.982 29.028 1.00 30.30 O HETATM 1998 O HOH 261 0.371 21.869 18.941 1.00 25.11 O HETATM 1999 O HOH 262 -6.682 23.782 10.153 1.00 27.44 O HETATM 2000 O HOH 263 -6.938 26.222 16.707 1.00 23.16 O HETATM 2001 O HOH 264 0.643 19.345 19.384 1.00 22.75 O HETATM 2002 O HOH 265 0.950 18.893 25.737 1.00 27.05 O HETATM 2003 O HOH 266 -6.744 14.263 27.491 1.00 25.64 O HETATM 2004 O HOH 267 -1.885 12.405 27.090 1.00 26.13 O HETATM 2005 O HOH 268 1.209 26.807 18.540 1.00 30.65 O HETATM 2006 O HOH 269 3.440 27.324 19.879 1.00 28.92 O HETATM 2007 O HOH 270 4.247 18.002 20.496 1.00 24.05 O HETATM 2008 O HOH 271 -2.532 23.966 13.524 1.00 26.46 O HETATM 2009 O HOH 272 -3.139 23.472 16.479 1.00 22.84 O HETATM 2010 O HOH 273 1.476 24.610 20.823 1.00 33.00 O HETATM 2011 O HOH 274 6.652 18.548 29.586 1.00 29.02 O HETATM 2012 O HOH 275 1.424 20.759 21.757 1.00 28.25 O HETATM 2013 O HOH 276 3.626 14.795 30.797 1.00 26.00 O HETATM 2014 O HOH 277 2.849 18.426 29.817 1.00 29.07 O HETATM 2015 O HOH 278 5.213 17.824 31.392 1.00 26.60 O HETATM 2016 N ALA A 279 -8.278 21.154 13.039 1.00 0.24 N HETATM 2017 CA ALA A 279 -8.511 19.816 13.567 1.00 0.06 C HETATM 2018 C ALA A 279 -7.551 19.489 14.710 1.00 0.23 C HETATM 2019 O ALA A 279 -7.958 18.964 15.752 1.00 -0.39 O HETATM 2020 N ALA A 279 -6.273 19.804 14.512 1.00 -0.26 N HETATM 2021 CA ALA A 279 -5.251 19.500 15.504 1.00 0.14 C HETATM 2022 C ALA A 279 -5.618 20.095 16.868 1.00 0.21 C HETATM 2023 O ALA A 279 -5.616 19.397 17.886 1.00 -0.39 O HETATM 2024 N ALA A 279 -5.957 21.381 16.869 1.00 -0.27 N HETATM 2025 CA ALA A 279 -6.299 22.102 18.084 1.00 0.12 C HETATM 2026 C ALA A 279 -7.519 21.571 18.808 1.00 0.20 C HETATM 2027 O ALA A 279 -7.546 21.548 20.036 1.00 -0.39 O HETATM 2028 N ALA A 279 -8.537 21.165 18.054 1.00 -0.26 N HETATM 2029 CA ALA A 279 -9.700 20.503 18.634 1.00 0.13 C HETATM 2030 C ALA A 279 -9.301 19.203 19.318 1.00 0.20 C HETATM 2031 O ALA A 279 -9.695 18.933 20.451 1.00 -0.39 O HETATM 2032 N ALA A 279 -8.519 18.394 18.618 1.00 -0.26 N HETATM 2033 CA ALA A 279 -8.095 17.109 19.146 1.00 0.13 C HETATM 2034 C ALA A 279 -7.182 17.290 20.353 1.00 0.20 C HETATM 2035 O ALA A 279 -7.276 16.551 21.328 1.00 -0.39 O HETATM 2036 N ALA A 279 -6.306 18.286 20.281 1.00 -0.26 N HETATM 2037 CA ALA A 279 -5.364 18.567 21.357 1.00 0.13 C HETATM 2038 C ALA A 279 -6.095 18.938 22.634 1.00 0.20 C HETATM 2039 O ALA A 279 -5.760 18.455 23.716 1.00 -0.39 O HETATM 2040 N ALA A 279 -7.090 19.808 22.485 1.00 -0.26 N HETATM 2041 CA ALA A 279 -7.878 20.323 23.599 1.00 0.13 C HETATM 2042 C ALA A 279 -8.609 19.210 24.352 1.00 0.20 C HETATM 2043 O ALA A 279 -8.656 19.210 25.582 1.00 -0.39 O HETATM 2044 N ALA A 279 -9.176 18.259 23.613 1.00 -0.26 N HETATM 2045 CA ALA A 279 -9.967 17.201 24.229 1.00 0.14 C HETATM 2046 C ALA A 279 -9.129 16.003 24.637 1.00 0.21 C HETATM 2047 O ALA A 279 -9.430 15.354 25.632 1.00 -0.39 O HETATM 2048 N ALA A 279 -8.091 15.703 23.862 1.00 -0.26 N HETATM 2049 CA ALA A 279 -7.310 14.486 24.065 1.00 0.14 C HETATM 2050 C ALA A 279 -5.952 14.744 24.721 1.00 0.21 C HETATM 2051 O ALA A 279 -5.336 13.830 25.264 1.00 -0.39 O HETATM 2052 N ALA A 279 -5.487 15.983 24.659 1.00 -0.27 N HETATM 2053 CA ALA A 279 -4.195 16.333 25.220 1.00 0.12 C HETATM 2054 C ALA A 279 -3.048 15.727 24.438 1.00 0.20 C HETATM 2055 O ALA A 279 -2.147 15.111 25.015 1.00 -0.39 O HETATM 2056 N ALA A 279 -3.078 15.900 23.118 1.00 -0.26 N HETATM 2057 CA ALA A 279 -1.976 15.462 22.263 1.00 0.13 C HETATM 2058 C ALA A 279 -0.648 15.952 22.837 1.00 0.20 C HETATM 2059 O ALA A 279 -0.557 17.069 23.357 1.00 -0.39 O HETATM 2060 N ALA A 279 0.376 15.110 22.745 1.00 -0.27 N HETATM 2061 CA ALA A 279 1.690 15.452 23.274 1.00 0.12 C HETATM 2062 C ALA A 279 2.580 16.053 22.191 1.00 0.06 C HETATM 2063 O ALA A 279 3.024 17.227 22.303 1.00 -0.57 O HETATM 2064 O ALA A 279 2.874 15.369 21.174 1.00 -0.57 O HETATM 2065 CB ALA A 279 2.357 14.219 23.896 1.00 0.08 C HETATM 2066 OG ALA A 279 3.756 14.416 24.058 1.00 -0.39 O HETATM 2067 H98 ALA A 279 4.142 13.638 24.444 1.00 0.21 H HETATM 2068 H96 ALA A 279 2.191 13.352 23.240 1.00 0.06 H HETATM 2069 H97 ALA A 279 1.906 14.026 24.880 1.00 0.06 H HETATM 2070 H95 ALA A 279 1.555 16.206 24.064 1.00 0.07 H HETATM 2071 H94 ALA A 279 0.242 14.223 22.303 1.00 0.19 H HETATM 2072 CB ALA A 279 -2.151 15.990 20.837 1.00 -0.01 C HETATM 2073 CG ALA A 279 -3.206 15.326 19.958 1.00 -0.04 C HETATM 2074 CD1 ALA A 279 -4.504 15.196 20.703 1.00 -0.06 C HETATM 2075 H88 ALA A 279 -5.252 14.716 20.055 1.00 0.02 H HETATM 2076 H89 ALA A 279 -4.860 16.195 20.997 1.00 0.02 H HETATM 2077 H90 ALA A 279 -4.350 14.582 21.603 1.00 0.02 H HETATM 2078 CD2 ALA A 279 -3.404 16.107 18.681 1.00 -0.06 C HETATM 2079 H91 ALA A 279 -2.444 16.192 18.150 1.00 0.02 H HETATM 2080 H92 ALA A 279 -3.780 17.113 18.921 1.00 0.02 H HETATM 2081 H93 ALA A 279 -4.132 15.586 18.042 1.00 0.02 H HETATM 2082 H87 ALA A 279 -2.854 14.317 19.696 1.00 0.03 H HETATM 2083 H85 ALA A 279 -1.183 15.882 20.326 1.00 0.03 H HETATM 2084 H86 ALA A 279 -2.410 17.056 20.911 1.00 0.03 H HETATM 2085 H84 ALA A 279 -1.968 14.362 22.234 1.00 0.08 H HETATM 2086 H83 ALA A 279 -3.873 16.340 22.701 1.00 0.19 H HETATM 2087 H81 ALA A 279 -4.149 15.968 26.257 1.00 0.08 H HETATM 2088 H82 ALA A 279 -4.090 17.428 25.211 1.00 0.08 H HETATM 2089 H80 ALA A 279 -6.037 16.691 24.217 1.00 0.19 H HETATM 2090 CB ALA A 279 -7.119 13.726 22.742 1.00 0.02 C HETATM 2091 CG ALA A 279 -8.395 13.120 22.199 1.00 -0.05 C HETATM 2092 CD1 ALA A 279 -8.964 12.009 22.805 1.00 -0.07 C HETATM 2093 CE1 ALA A 279 -10.130 11.451 22.325 1.00 -0.04 C HETATM 2094 CZ ALA A 279 -10.747 12.006 21.220 1.00 0.08 C HETATM 2095 CE2 ALA A 279 -10.207 13.115 20.601 1.00 -0.04 C HETATM 2096 CD2 ALA A 279 -9.038 13.664 21.085 1.00 -0.07 C HETATM 2097 H76 ALA A 279 -8.612 14.531 20.593 1.00 0.05 H HETATM 2098 H78 ALA A 279 -10.699 13.552 19.739 1.00 0.05 H HETATM 2099 OH ALA A 279 -11.912 11.436 20.746 1.00 -0.34 O HETATM 2100 H79 ALA A 279 -12.613 12.076 20.779 1.00 0.25 H HETATM 2101 H77 ALA A 279 -10.560 10.583 22.811 1.00 0.05 H HETATM 2102 H75 ALA A 279 -8.483 11.571 23.672 1.00 0.05 H HETATM 2103 H73 ALA A 279 -6.393 12.916 22.908 1.00 0.05 H HETATM 2104 H74 ALA A 279 -6.721 14.427 21.993 1.00 0.05 H HETATM 2105 H72 ALA A 279 -7.886 13.840 24.744 1.00 0.08 H HETATM 2106 H71 ALA A 279 -7.839 16.326 23.122 1.00 0.19 H HETATM 2107 CB ALA A 279 -11.089 16.731 23.298 1.00 0.02 C HETATM 2108 CG ALA A 279 -12.026 15.735 23.943 1.00 -0.05 C HETATM 2109 CD1 ALA A 279 -11.770 14.369 23.889 1.00 -0.07 C HETATM 2110 CE1 ALA A 279 -12.622 13.459 24.485 1.00 -0.04 C HETATM 2111 CZ ALA A 279 -13.742 13.908 25.147 1.00 0.08 C HETATM 2112 CE2 ALA A 279 -14.014 15.252 25.221 1.00 -0.04 C HETATM 2113 CD2 ALA A 279 -13.159 16.159 24.622 1.00 -0.07 C HETATM 2114 H67 ALA A 279 -13.378 17.219 24.684 1.00 0.05 H HETATM 2115 H69 ALA A 279 -14.896 15.601 25.747 1.00 0.05 H HETATM 2116 OH ALA A 279 -14.593 13.004 25.742 1.00 -0.34 O HETATM 2117 H70 ALA A 279 -14.266 12.123 25.601 1.00 0.25 H HETATM 2118 H68 ALA A 279 -12.409 12.397 24.431 1.00 0.05 H HETATM 2119 H66 ALA A 279 -10.887 14.012 23.371 1.00 0.05 H HETATM 2120 H64 ALA A 279 -10.634 16.260 22.414 1.00 0.05 H HETATM 2121 H65 ALA A 279 -11.674 17.609 22.986 1.00 0.05 H HETATM 2122 H63 ALA A 279 -10.426 17.618 25.137 1.00 0.08 H HETATM 2123 H62 ALA A 279 -9.057 18.271 22.620 1.00 0.19 H HETATM 2124 CB ALA A 279 -8.880 21.360 23.080 1.00 -0.01 C HETATM 2125 CG ALA A 279 -9.545 22.314 24.067 1.00 -0.04 C HETATM 2126 CD1 ALA A 279 -8.532 22.922 25.022 1.00 -0.06 C HETATM 2127 H56 ALA A 279 -9.046 23.602 25.717 1.00 0.02 H HETATM 2128 H57 ALA A 279 -7.779 23.483 24.449 1.00 0.02 H HETATM 2129 H58 ALA A 279 -8.038 22.121 25.591 1.00 0.02 H HETATM 2130 CD2 ALA A 279 -10.285 23.403 23.312 1.00 -0.06 C HETATM 2131 H59 ALA A 279 -11.013 22.944 22.627 1.00 0.02 H HETATM 2132 H60 ALA A 279 -9.566 24.003 22.735 1.00 0.02 H HETATM 2133 H61 ALA A 279 -10.813 24.051 24.027 1.00 0.02 H HETATM 2134 H55 ALA A 279 -10.275 21.743 24.660 1.00 0.03 H HETATM 2135 H53 ALA A 279 -9.686 20.805 22.578 1.00 0.03 H HETATM 2136 H54 ALA A 279 -8.348 21.980 22.343 1.00 0.03 H HETATM 2137 H52 ALA A 279 -7.194 20.819 24.303 1.00 0.08 H HETATM 2138 H51 ALA A 279 -7.309 20.125 21.562 1.00 0.19 H HETATM 2139 CB ALA A 279 -4.431 19.714 20.965 1.00 -0.01 C HETATM 2140 CG ALA A 279 -3.429 20.050 22.048 1.00 -0.04 C HETATM 2141 CD ALA A 279 -2.512 21.185 21.637 1.00 -0.01 C HETATM 2142 CE ALA A 279 -1.412 21.371 22.666 1.00 -0.04 C HETATM 2143 NZ ALA A 279 -0.644 20.104 22.845 1.00 0.22 N HETATM 2144 H48 ALA A 279 0.081 20.245 23.531 1.00 0.20 H HETATM 2145 H49 ALA A 279 -0.229 19.836 21.967 1.00 0.20 H HETATM 2146 H50 ALA A 279 -1.266 19.375 23.159 1.00 0.20 H HETATM 2147 H46 ALA A 279 -1.861 21.661 23.627 1.00 0.08 H HETATM 2148 H47 ALA A 279 -0.729 22.163 22.326 1.00 0.08 H HETATM 2149 H44 ALA A 279 -3.096 22.114 21.558 1.00 0.03 H HETATM 2150 H45 ALA A 279 -2.061 20.952 20.661 1.00 0.03 H HETATM 2151 H42 ALA A 279 -2.820 19.159 22.258 1.00 0.03 H HETATM 2152 H43 ALA A 279 -3.973 20.344 22.957 1.00 0.03 H HETATM 2153 H40 ALA A 279 -5.039 20.607 20.759 1.00 0.03 H HETATM 2154 H41 ALA A 279 -3.883 19.426 20.056 1.00 0.03 H HETATM 2155 H39 ALA A 279 -4.763 17.665 21.541 1.00 0.08 H HETATM 2156 H38 ALA A 279 -6.293 18.861 19.463 1.00 0.19 H HETATM 2157 CB ALA A 279 -7.404 16.293 18.051 1.00 -0.01 C HETATM 2158 CG ALA A 279 -8.322 15.879 16.897 1.00 -0.04 C HETATM 2159 CD1 ALA A 279 -7.578 15.027 15.881 1.00 -0.06 C HETATM 2160 H32 ALA A 279 -8.262 14.746 15.067 1.00 0.02 H HETATM 2161 H33 ALA A 279 -7.199 14.118 16.372 1.00 0.02 H HETATM 2162 H34 ALA A 279 -6.734 15.600 15.470 1.00 0.02 H HETATM 2163 CD2 ALA A 279 -9.521 15.124 17.437 1.00 -0.06 C HETATM 2164 H35 ALA A 279 -10.050 15.751 18.170 1.00 0.02 H HETATM 2165 H36 ALA A 279 -9.182 14.198 17.924 1.00 0.02 H HETATM 2166 H37 ALA A 279 -10.201 14.876 16.609 1.00 0.02 H HETATM 2167 H31 ALA A 279 -8.678 16.789 16.392 1.00 0.03 H HETATM 2168 H29 ALA A 279 -6.994 15.381 18.509 1.00 0.03 H HETATM 2169 H30 ALA A 279 -6.583 16.897 17.638 1.00 0.03 H HETATM 2170 H28 ALA A 279 -8.989 16.558 19.474 1.00 0.08 H HETATM 2171 H27 ALA A 279 -8.214 18.674 17.707 1.00 0.19 H HETATM 2172 CB ALA A 279 -10.754 20.205 17.563 1.00 -0.00 C HETATM 2173 CG ALA A 279 -11.636 21.384 17.210 1.00 -0.00 C HETATM 2174 SD ALA A 279 -13.002 20.924 16.125 1.00 -0.16 S HETATM 2175 CE ALA A 279 -12.111 20.469 14.638 1.00 -0.02 C HETATM 2176 H24 ALA A 279 -12.826 20.157 13.863 1.00 0.03 H HETATM 2177 H25 ALA A 279 -11.426 19.638 14.861 1.00 0.03 H HETATM 2178 H26 ALA A 279 -11.534 21.333 14.277 1.00 0.03 H HETATM 2179 H22 ALA A 279 -11.023 22.144 16.703 1.00 0.04 H HETATM 2180 H23 ALA A 279 -12.049 21.806 18.138 1.00 0.04 H HETATM 2181 H20 ALA A 279 -11.397 19.392 17.930 1.00 0.03 H HETATM 2182 H21 ALA A 279 -10.234 19.878 16.650 1.00 0.03 H HETATM 2183 H19 ALA A 279 -10.142 21.175 19.385 1.00 0.08 H HETATM 2184 H18 ALA A 279 -8.504 21.317 17.066 1.00 0.19 H HETATM 2185 H16 ALA A 279 -6.488 23.153 17.818 1.00 0.08 H HETATM 2186 H17 ALA A 279 -5.441 22.046 18.770 1.00 0.08 H HETATM 2187 H15 ALA A 279 -5.978 21.872 15.998 1.00 0.19 H HETATM 2188 CB ALA A 279 -3.890 20.019 15.038 1.00 0.01 C HETATM 2189 CG ALA A 279 -2.746 19.534 15.873 1.00 -0.00 C HETATM 2190 ND1 ALA A 279 -2.009 20.367 16.687 1.00 -0.33 N HETATM 2191 CE1 ALA A 279 -1.076 19.665 17.303 1.00 0.09 C HETATM 2192 NE2 ALA A 279 -1.181 18.405 16.920 1.00 -0.28 N HETATM 2193 CD2 ALA A 279 -2.221 18.295 16.030 1.00 0.03 C HETATM 2194 H12 ALA A 279 -2.560 17.383 15.542 1.00 0.07 H HETATM 2195 H14 ALA A 279 -0.580 17.631 17.237 1.00 0.24 H HETATM 2196 H13 ALA A 279 -0.344 20.058 18.007 1.00 0.12 H HETATM 2197 H10 ALA A 279 -3.906 21.118 15.075 1.00 0.04 H HETATM 2198 H11 ALA A 279 -3.728 19.689 14.001 1.00 0.04 H HETATM 2199 H9 ALA A 279 -5.187 18.407 15.611 1.00 0.08 H HETATM 2200 H8 ALA A 279 -6.008 20.260 13.662 1.00 0.19 H HETATM 2201 CB ALA A 279 -8.393 18.793 12.456 1.00 -0.00 C HETATM 2202 H5 ALA A 279 -8.570 17.787 12.864 1.00 0.03 H HETATM 2203 H6 ALA A 279 -7.384 18.840 12.020 1.00 0.03 H HETATM 2204 H7 ALA A 279 -9.139 19.010 11.677 1.00 0.03 H HETATM 2205 H4 ALA A 279 -9.536 19.778 13.963 1.00 0.11 H HETATM 2206 H1 ALA A 279 -8.926 21.337 12.289 1.00 0.20 H HETATM 2207 H2 ALA A 279 -7.334 21.218 12.691 1.00 0.20 H HETATM 2208 H3 ALA A 279 -8.412 21.833 13.772 1.00 0.20 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 2016 2017 2206 2207 2208 CONECT 2017 2016 2018 2201 2205 CONECT 2018 2017 2019 2020 CONECT 2019 2018 CONECT 2020 2018 2021 2200 CONECT 2021 2020 2022 2188 2199 CONECT 2022 2021 2023 2024 CONECT 2023 2022 CONECT 2024 2022 2025 2187 CONECT 2025 2024 2026 2185 2186 CONECT 2026 2025 2027 2028 CONECT 2027 2026 CONECT 2028 2026 2029 2184 CONECT 2029 2028 2030 2172 2183 CONECT 2030 2029 2031 2032 CONECT 2031 2030 CONECT 2032 2030 2033 2171 CONECT 2033 2032 2034 2157 2170 CONECT 2034 2033 2035 2036 CONECT 2035 2034 CONECT 2036 2034 2037 2156 CONECT 2037 2036 2038 2139 2155 CONECT 2038 2037 2039 2040 CONECT 2039 2038 CONECT 2040 2038 2041 2138 CONECT 2041 2040 2042 2124 2137 CONECT 2042 2041 2043 2044 CONECT 2043 2042 CONECT 2044 2042 2045 2123 CONECT 2045 2044 2046 2107 2122 CONECT 2046 2045 2047 2048 CONECT 2047 2046 CONECT 2048 2046 2049 2106 CONECT 2049 2048 2050 2090 2105 CONECT 2050 2049 2051 2052 CONECT 2051 2050 CONECT 2052 2050 2053 2089 CONECT 2053 2052 2054 2087 2088 CONECT 2054 2053 2055 2056 CONECT 2055 2054 CONECT 2056 2054 2057 2086 CONECT 2057 2056 2058 2072 2085 CONECT 2058 2057 2059 2060 CONECT 2059 2058 CONECT 2060 2058 2061 2071 CONECT 2061 2060 2062 2065 2070 CONECT 2062 2061 2063 2064 CONECT 2063 2062 CONECT 2064 2062 CONECT 2065 2061 2066 2068 2069 CONECT 2066 2065 2067 CONECT 2067 2066 CONECT 2068 2065 CONECT 2069 2065 CONECT 2070 2061 CONECT 2071 2060 CONECT 2072 2057 2073 2083 2084 CONECT 2073 2072 2074 2078 2082 CONECT 2074 2073 2075 2076 2077 CONECT 2075 2074 CONECT 2076 2074 CONECT 2077 2074 CONECT 2078 2073 2079 2080 2081 CONECT 2079 2078 CONECT 2080 2078 CONECT 2081 2078 CONECT 2082 2073 CONECT 2083 2072 CONECT 2084 2072 CONECT 2085 2057 CONECT 2086 2056 CONECT 2087 2053 CONECT 2088 2053 CONECT 2089 2052 CONECT 2090 2049 2091 2103 2104 CONECT 2091 2090 2092 2096 CONECT 2092 2091 2093 2102 CONECT 2093 2092 2094 2101 CONECT 2094 2093 2095 2099 CONECT 2095 2094 2096 2098 CONECT 2096 2091 2095 2097 CONECT 2097 2096 CONECT 2098 2095 CONECT 2099 2094 2100 CONECT 2100 2099 CONECT 2101 2093 CONECT 2102 2092 CONECT 2103 2090 CONECT 2104 2090 CONECT 2105 2049 CONECT 2106 2048 CONECT 2107 2045 2108 2120 2121 CONECT 2108 2107 2109 2113 CONECT 2109 2108 2110 2119 CONECT 2110 2109 2111 2118 CONECT 2111 2110 2112 2116 CONECT 2112 2111 2113 2115 CONECT 2113 2108 2112 2114 CONECT 2114 2113 CONECT 2115 2112 CONECT 2116 2111 2117 CONECT 2117 2116 CONECT 2118 2110 CONECT 2119 2109 CONECT 2120 2107 CONECT 2121 2107 CONECT 2122 2045 CONECT 2123 2044 CONECT 2124 2041 2125 2135 2136 CONECT 2125 2124 2126 2130 2134 CONECT 2126 2125 2127 2128 2129 CONECT 2127 2126 CONECT 2128 2126 CONECT 2129 2126 CONECT 2130 2125 2131 2132 2133 CONECT 2131 2130 CONECT 2132 2130 CONECT 2133 2130 CONECT 2134 2125 CONECT 2135 2124 CONECT 2136 2124 CONECT 2137 2041 CONECT 2138 2040 CONECT 2139 2037 2140 2153 2154 CONECT 2140 2139 2141 2151 2152 CONECT 2141 2140 2142 2149 2150 CONECT 2142 2141 2143 2147 2148 CONECT 2143 2142 2144 2145 2146 CONECT 2144 2143 CONECT 2145 2143 CONECT 2146 2143 CONECT 2147 2142 CONECT 2148 2142 CONECT 2149 2141 CONECT 2150 2141 CONECT 2151 2140 CONECT 2152 2140 CONECT 2153 2139 CONECT 2154 2139 CONECT 2155 2037 CONECT 2156 2036 CONECT 2157 2033 2158 2168 2169 CONECT 2158 2157 2159 2163 2167 CONECT 2159 2158 2160 2161 2162 CONECT 2160 2159 CONECT 2161 2159 CONECT 2162 2159 CONECT 2163 2158 2164 2165 2166 CONECT 2164 2163 CONECT 2165 2163 CONECT 2166 2163 CONECT 2167 2158 CONECT 2168 2157 CONECT 2169 2157 CONECT 2170 2033 CONECT 2171 2032 CONECT 2172 2029 2173 2181 2182 CONECT 2173 2172 2174 2179 2180 CONECT 2174 2173 2175 CONECT 2175 2174 2176 2177 2178 CONECT 2176 2175 CONECT 2177 2175 CONECT 2178 2175 CONECT 2179 2173 CONECT 2180 2173 CONECT 2181 2172 CONECT 2182 2172 CONECT 2183 2029 CONECT 2184 2028 CONECT 2185 2025 CONECT 2186 2025 CONECT 2187 2024 CONECT 2188 2021 2189 2197 2198 CONECT 2189 2188 2190 2193 CONECT 2190 2189 2191 CONECT 2191 2190 2192 2196 CONECT 2192 2191 2193 2195 CONECT 2193 2189 2192 2194 CONECT 2194 2193 CONECT 2195 2192 CONECT 2196 2191 CONECT 2197 2188 CONECT 2198 2188 CONECT 2199 2021 CONECT 2200 2020 CONECT 2201 2017 2202 2203 2204 CONECT 2202 2201 CONECT 2203 2201 CONECT 2204 2201 CONECT 2205 2017 CONECT 2206 2016 CONECT 2207 2016 CONECT 2208 2016 MASTER 0 0 0 0 0 0 0 0 2207 1 197 9 END
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17-mer
6uyy
RCSB PDB
PDBbind
17-mer
6uyz
RCSB PDB
PDBbind
17-mer
Entry Information
PDB ID
4j2c
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Syntaxin-6
Ligand Name
17-mer
EC.Number
E.C.-.-.-.-
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Kd=5.6uM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) Structure Vol. 21: pp. 1698-1706
Ligand Properties
Formula
C
6
3
H
9
9
N
1
5
O
1
6
S
Molecular Weight
1354.620
Exact Mass
1353.710
No. of atoms
194
No. of bonds
196
Polar Surface Area
527.35
LOGP Value
-0.15 (
Computed with XLOGP3
)
0.76 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 17
No. of Hydrogen Bond Acceptors: 17
No. of Rotatable Bonds: 56
No. of Nitrogen and Oxygen Atoms: 31
No. of Rings: 3
Canonical SMILES
CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CO)CC(C)C)Cc1ccc(cc1)O)Cc1ccc(cc1)O)CC(C)C)CCCC[NH3+])CC(C)C)NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]([NH3+])C
InChI String
InChI=1S/C63H97N15O16S/c1-34(2)23-45(59(89)78-51(32-79)63(93)94)71-53(83)31-67-55(85)48(26-38-12-16-41(80)17-13-38)76-62(92)49(27-39-14-18-42(81)19-15-39)77-61(91)47(25-36(5)6)74-57(87)43(11-9-10-21-64)72-60(90)46(24-35(3)4)75-58(88)44(20-22-95-8)70-52(82)30-68-56(86)50(73-54(84)37(7)65)28-40-29-66-33-69-40/h12-19,29,33-37,43-51,79-81H,9-11,20-28,30-32,64-65H2,1-8H3,(H,66,69)(H,67,85)(H,68,86)(H,70,82)(H,71,83)(H,72,90)(H,73,84)(H,74,87)(H,75,88)(H,76,92)(H,77,91)(H,78,89)(H,93,94)/p+2/t37-,43-,44-,45-,46-,47-,48-,49-,50-,51-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
O43752
Q9UID3
Entrez Gene ID
NCBI Entrez Gene ID:
10228
738
ASD
Information of known allosteric effects of PDB entries
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