Browse entries in the PDBbind-CN Database
HEADER 4HPI_COMPLEX COMPND 4HPI_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 128 LYS VAL PHE GLY ARG CYS GLU LEU ALA ALA ALA MET LYS SEQRES 2 A 128 ARG HIS GLY LEU ASP ASN TYR ARG GLY TYR SER LEU GLY SEQRES 3 A 128 ASN TRP VAL CYS ALA ALA LYS PHE GLU SER ASN PHE ASN SEQRES 4 A 128 THR GLN ALA THR ASN ARG ASN THR ASP GLY SER THR ASP SEQRES 5 A 128 TYR GLY ILE LEU GLN ILE ASN SER ARG TRP TRP CYS ASN SEQRES 6 A 128 ASP GLY ARG THR PRO GLY SER ARG ASN LEU CYS ASN ILE SEQRES 7 A 128 PRO CYS SER ALA LEU LEU SER SER ASP ILE THR ALA SER SEQRES 8 A 128 VAL ASN CYS ALA LYS LYS ILE VAL SER ASP GLY ASN GLY SEQRES 9 A 128 MET ASN ALA TRP VAL ALA TRP ARG ASN ARG CYS LYS GLY SEQRES 10 A 128 THR ASP VAL GLN ALA TRP ILE ARG GLY CYS ARG HET NOJ A 300 79 SSBOND 1 CYS A 64 CYS A 80 SSBOND 2 CYS A 76 CYS A 94 SSBOND 3 CYS A 30 CYS A 115 SSBOND 4 CYS A 6 CYS A 127 ATOM 1 N LYS A 1 -9.421 -2.540 8.662 1.00 11.36 N ATOM 2 CA LYS A 1 -9.779 -1.694 9.828 1.00 11.43 C ATOM 3 C LYS A 1 -11.291 -1.703 9.982 1.00 11.03 C ATOM 4 O LYS A 1 -12.016 -1.735 8.986 1.00 10.92 O ATOM 5 CB LYS A 1 -9.259 -0.277 9.598 1.00 11.83 C ATOM 6 CG LYS A 1 -9.811 0.786 10.516 1.00 12.50 C ATOM 7 CD LYS A 1 -9.315 2.136 10.071 1.00 13.39 C ATOM 8 CE LYS A 1 -10.054 3.238 10.780 1.00 13.73 C ATOM 9 NZ LYS A 1 -9.398 4.551 10.540 1.00 14.66 N ATOM 10 HA LYS A 1 -9.327 -2.080 10.742 1.00 0.00 H ATOM 11 HB2 LYS A 1 -8.176 -0.295 9.720 1.00 0.00 H ATOM 12 HB3 LYS A 1 -9.503 0.006 8.574 1.00 0.00 H ATOM 13 HG2 LYS A 1 -10.900 0.768 10.480 1.00 0.00 H ATOM 14 HG3 LYS A 1 -9.479 0.594 11.536 1.00 0.00 H ATOM 15 HD2 LYS A 1 -8.251 2.218 10.294 1.00 0.00 H ATOM 16 HD3 LYS A 1 -9.468 2.237 8.996 1.00 0.00 H ATOM 17 HE2 LYS A 1 -10.062 3.032 11.850 1.00 0.00 H ATOM 18 HE3 LYS A 1 -11.079 3.277 10.411 1.00 0.00 H ATOM 19 HZ1 LYS A 1 -8.421 4.519 10.895 1.00 0.00 H ATOM 20 HZ2 LYS A 1 -9.391 4.753 9.520 1.00 0.00 H ATOM 21 HZ3 LYS A 1 -9.925 5.297 11.038 1.00 0.00 H ATOM 22 HN3 LYS A 1 -9.868 -2.155 7.806 1.00 0.00 H ATOM 23 HN2 LYS A 1 -9.757 -3.511 8.824 1.00 0.00 H ATOM 24 HN1 LYS A 1 -8.388 -2.544 8.543 1.00 0.00 H ATOM 25 N VAL A 2 -11.758 -1.702 11.226 1.00 10.96 N ATOM 26 CA VAL A 2 -13.174 -1.574 11.509 1.00 11.22 C ATOM 27 C VAL A 2 -13.388 -0.135 11.959 1.00 10.37 C ATOM 28 O VAL A 2 -12.936 0.263 13.039 1.00 11.09 O ATOM 29 CB VAL A 2 -13.664 -2.584 12.566 1.00 11.88 C ATOM 30 CG1 VAL A 2 -15.133 -2.341 12.890 1.00 13.20 C ATOM 31 CG2 VAL A 2 -13.449 -4.027 12.096 1.00 12.66 C ATOM 32 HA VAL A 2 -13.761 -1.802 10.619 1.00 0.00 H ATOM 33 HB VAL A 2 -13.076 -2.436 13.472 1.00 0.00 H ATOM 34 HG11 VAL A 2 -15.255 -1.330 13.279 1.00 0.00 H ATOM 35 HG12 VAL A 2 -15.728 -2.457 11.984 1.00 0.00 H ATOM 36 HG13 VAL A 2 -15.463 -3.062 13.638 1.00 0.00 H ATOM 37 HG21 VAL A 2 -14.003 -4.193 11.172 1.00 0.00 H ATOM 38 HG22 VAL A 2 -12.387 -4.196 11.919 1.00 0.00 H ATOM 39 HG23 VAL A 2 -13.805 -4.715 12.863 1.00 0.00 H ATOM 40 H VAL A 2 -11.090 -1.796 12.018 1.00 0.00 H ATOM 41 N PHE A 3 -14.049 0.643 11.108 1.00 9.82 N ATOM 42 CA PHE A 3 -14.371 2.023 11.429 1.00 9.66 C ATOM 43 C PHE A 3 -15.414 2.103 12.528 1.00 9.80 C ATOM 44 O PHE A 3 -16.327 1.273 12.600 1.00 10.08 O ATOM 45 CB PHE A 3 -14.938 2.739 10.203 1.00 9.82 C ATOM 46 CG PHE A 3 -13.903 3.348 9.311 1.00 9.43 C ATOM 47 CD1 PHE A 3 -13.222 2.576 8.376 1.00 11.05 C ATOM 48 CD2 PHE A 3 -13.615 4.707 9.393 1.00 10.02 C ATOM 49 CE1 PHE A 3 -12.259 3.149 7.550 1.00 12.03 C ATOM 50 CE2 PHE A 3 -12.661 5.284 8.574 1.00 11.13 C ATOM 51 CZ PHE A 3 -11.985 4.510 7.645 1.00 11.86 C ATOM 52 HA PHE A 3 -13.446 2.497 11.759 1.00 0.00 H ATOM 53 HB2 PHE A 3 -15.509 2.017 9.620 1.00 0.00 H ATOM 54 HB3 PHE A 3 -15.601 3.532 10.547 1.00 0.00 H ATOM 55 HD2 PHE A 3 -14.149 5.326 10.114 1.00 0.00 H ATOM 56 HE2 PHE A 3 -12.441 6.348 8.660 1.00 0.00 H ATOM 57 HZ PHE A 3 -11.241 4.965 6.991 1.00 0.00 H ATOM 58 HE1 PHE A 3 -11.721 2.533 6.830 1.00 0.00 H ATOM 59 HD1 PHE A 3 -13.444 1.512 8.289 1.00 0.00 H ATOM 60 H PHE A 3 -14.343 0.254 10.189 1.00 0.00 H ATOM 61 N GLY A 4 -15.287 3.120 13.380 1.00 10.05 N ATOM 62 CA GLY A 4 -16.417 3.553 14.191 1.00 10.53 C ATOM 63 C GLY A 4 -17.444 4.235 13.298 1.00 10.24 C ATOM 64 O GLY A 4 -17.120 4.741 12.220 1.00 9.97 O ATOM 65 HA3 GLY A 4 -16.073 4.254 14.952 1.00 0.00 H ATOM 66 HA2 GLY A 4 -16.871 2.688 14.675 1.00 0.00 H ATOM 67 H GLY A 4 -14.373 3.609 13.467 1.00 0.00 H ATOM 68 N ARG A 5 -18.686 4.277 13.764 1.00 10.73 N ATOM 69 CA ARG A 5 -19.775 4.871 13.015 1.00 11.01 C ATOM 70 C ARG A 5 -19.510 6.345 12.667 1.00 10.78 C ATOM 71 O ARG A 5 -19.523 6.733 11.499 1.00 10.51 O ATOM 72 CB ARG A 5 -21.058 4.718 13.824 1.00 11.10 C ATOM 73 CG ARG A 5 -22.300 5.278 13.174 1.00 12.01 C ATOM 74 CD ARG A 5 -23.549 4.956 13.993 1.00 12.61 C ATOM 75 NE ARG A 5 -23.534 5.516 15.351 1.00 13.62 N ATOM 76 CZ ARG A 5 -23.820 6.782 15.661 1.00 13.67 C ATOM 77 NH1 ARG A 5 -24.135 7.662 14.723 1.00 13.77 N ATOM 78 NH2 ARG A 5 -23.776 7.173 16.926 1.00 15.32 N ATOM 79 HA ARG A 5 -19.870 4.351 12.062 1.00 0.00 H ATOM 80 HB2 ARG A 5 -21.220 3.655 14.001 1.00 0.00 H ATOM 81 HB3 ARG A 5 -20.918 5.227 14.778 1.00 0.00 H ATOM 82 HG2 ARG A 5 -22.200 6.360 13.090 1.00 0.00 H ATOM 83 HG3 ARG A 5 -22.406 4.845 12.179 1.00 0.00 H ATOM 84 HD2 ARG A 5 -23.639 3.872 14.070 1.00 0.00 H ATOM 85 HD3 ARG A 5 -24.416 5.355 13.467 1.00 0.00 H ATOM 86 HE ARG A 5 -23.281 4.876 16.131 1.00 0.00 H ATOM 87 HH12 ARG A 5 -24.355 8.644 14.984 1.00 0.00 H ATOM 88 HH11 ARG A 5 -24.163 7.371 13.725 1.00 0.00 H ATOM 89 HH22 ARG A 5 -23.998 8.158 17.174 1.00 0.00 H ATOM 90 HH21 ARG A 5 -23.520 6.495 17.671 1.00 0.00 H ATOM 91 H ARG A 5 -18.885 3.869 14.700 1.00 0.00 H ATOM 92 N CYS A 6 -19.250 7.169 13.680 1.00 10.48 N ATOM 93 CA CYS A 6 -18.976 8.583 13.432 1.00 10.58 C ATOM 94 C CYS A 6 -17.640 8.797 12.712 1.00 10.00 C ATOM 95 O CYS A 6 -17.501 9.726 11.924 1.00 10.74 O ATOM 96 CB CYS A 6 -19.036 9.384 14.727 1.00 11.27 C ATOM 97 SG CYS A 6 -20.712 9.502 15.400 1.00 14.00 S ATOM 98 HA CYS A 6 -19.757 8.949 12.766 1.00 0.00 H ATOM 99 HB2 CYS A 6 -18.667 10.391 14.532 1.00 0.00 H ATOM 100 HB3 CYS A 6 -18.397 8.901 15.466 1.00 0.00 H ATOM 101 HG CYS A 6 -20.942 8.142 15.457 1.00 0.00 H ATOM 102 H CYS A 6 -19.242 6.804 14.654 1.00 0.00 H ATOM 103 N GLU A 7 -16.659 7.939 12.987 1.00 10.01 N ATOM 104 CA GLU A 7 -15.387 7.980 12.278 1.00 9.96 C ATOM 105 C GLU A 7 -15.618 7.797 10.778 1.00 9.61 C ATOM 106 O GLU A 7 -15.054 8.522 9.959 1.00 10.32 O ATOM 107 CB GLU A 7 -14.455 6.893 12.802 1.00 10.19 C ATOM 108 CG GLU A 7 -13.057 6.932 12.222 1.00 11.76 C ATOM 109 CD GLU A 7 -12.203 5.737 12.609 1.00 12.69 C ATOM 110 OE1 GLU A 7 -12.749 4.717 13.081 1.00 12.91 O ATOM 111 OE2 GLU A 7 -10.970 5.825 12.430 1.00 15.02 O ATOM 112 HA GLU A 7 -14.921 8.951 12.448 1.00 0.00 H ATOM 113 HB2 GLU A 7 -14.378 7.002 13.884 1.00 0.00 H ATOM 114 HB3 GLU A 7 -14.895 5.924 12.566 1.00 0.00 H ATOM 115 HG2 GLU A 7 -13.135 6.962 11.135 1.00 0.00 H ATOM 116 HG3 GLU A 7 -12.563 7.837 12.574 1.00 0.00 H ATOM 117 H GLU A 7 -16.805 7.222 13.726 1.00 0.00 H ATOM 118 N LEU A 8 -16.452 6.826 10.414 1.00 9.30 N ATOM 119 CA LEU A 8 -16.743 6.616 9.004 1.00 9.04 C ATOM 120 C LEU A 8 -17.533 7.775 8.408 1.00 8.88 C ATOM 121 O LEU A 8 -17.247 8.208 7.296 1.00 9.39 O ATOM 122 CB LEU A 8 -17.472 5.295 8.770 1.00 9.09 C ATOM 123 CG LEU A 8 -17.731 4.958 7.302 1.00 8.94 C ATOM 124 CD1 LEU A 8 -16.431 4.767 6.533 1.00 10.17 C ATOM 125 CD2 LEU A 8 -18.587 3.719 7.207 1.00 10.21 C ATOM 126 HA LEU A 8 -15.782 6.568 8.491 1.00 0.00 H ATOM 127 HB2 LEU A 8 -16.871 4.494 9.201 1.00 0.00 H ATOM 128 HB3 LEU A 8 -18.433 5.342 9.282 1.00 0.00 H ATOM 129 HG LEU A 8 -18.258 5.797 6.848 1.00 0.00 H ATOM 130 HD21 LEU A 8 -18.072 2.885 7.684 1.00 0.00 H ATOM 131 HD22 LEU A 8 -19.537 3.896 7.710 1.00 0.00 H ATOM 132 HD23 LEU A 8 -18.768 3.484 6.158 1.00 0.00 H ATOM 133 HD11 LEU A 8 -15.846 5.685 6.578 1.00 0.00 H ATOM 134 HD12 LEU A 8 -15.863 3.951 6.979 1.00 0.00 H ATOM 135 HD13 LEU A 8 -16.657 4.529 5.494 1.00 0.00 H ATOM 136 H LEU A 8 -16.894 6.220 11.134 1.00 0.00 H ATOM 137 N ALA A 9 -18.518 8.275 9.154 1.00 9.51 N ATOM 138 CA ALA A 9 -19.308 9.422 8.713 1.00 10.04 C ATOM 139 C ALA A 9 -18.384 10.586 8.370 1.00 9.97 C ATOM 140 O ALA A 9 -18.535 11.222 7.326 1.00 10.34 O ATOM 141 CB ALA A 9 -20.310 9.823 9.780 1.00 10.76 C ATOM 142 HA ALA A 9 -19.866 9.144 7.819 1.00 0.00 H ATOM 143 HB1 ALA A 9 -20.981 8.987 9.979 1.00 0.00 H ATOM 144 HB2 ALA A 9 -19.779 10.090 10.694 1.00 0.00 H ATOM 145 HB3 ALA A 9 -20.888 10.679 9.431 1.00 0.00 H ATOM 146 H ALA A 9 -18.730 7.837 10.073 1.00 0.00 H ATOM 147 N ALA A 10 -17.413 10.861 9.244 1.00 10.82 N ATOM 148 CA ALA A 10 -16.506 11.984 9.038 1.00 11.63 C ATOM 149 C ALA A 10 -15.641 11.787 7.797 1.00 11.45 C ATOM 150 O ALA A 10 -15.416 12.736 7.038 1.00 12.97 O ATOM 151 CB ALA A 10 -15.639 12.198 10.260 1.00 12.22 C ATOM 152 HA ALA A 10 -17.114 12.874 8.879 1.00 0.00 H ATOM 153 HB1 ALA A 10 -16.273 12.408 11.121 1.00 0.00 H ATOM 154 HB2 ALA A 10 -15.052 11.299 10.450 1.00 0.00 H ATOM 155 HB3 ALA A 10 -14.969 13.040 10.086 1.00 0.00 H ATOM 156 H ALA A 10 -17.301 10.263 10.088 1.00 0.00 H ATOM 157 N ALA A 11 -15.162 10.559 7.590 1.00 11.66 N ATOM 158 CA ALA A 11 -14.328 10.238 6.433 1.00 11.82 C ATOM 159 C ALA A 11 -15.125 10.342 5.132 1.00 11.32 C ATOM 160 O ALA A 11 -14.662 10.916 4.139 1.00 12.15 O ATOM 161 CB ALA A 11 -13.719 8.851 6.587 1.00 11.87 C ATOM 162 HA ALA A 11 -13.519 10.967 6.384 1.00 0.00 H ATOM 163 HB1 ALA A 11 -13.105 8.823 7.487 1.00 0.00 H ATOM 164 HB2 ALA A 11 -14.516 8.112 6.667 1.00 0.00 H ATOM 165 HB3 ALA A 11 -13.101 8.628 5.717 1.00 0.00 H ATOM 166 H ALA A 11 -15.389 9.808 8.272 1.00 0.00 H ATOM 167 N MET A 12 -16.340 9.797 5.141 1.00 10.55 N ATOM 168 CA MET A 12 -17.221 9.899 3.990 1.00 10.52 C ATOM 169 C MET A 12 -17.568 11.352 3.664 1.00 11.41 C ATOM 170 O MET A 12 -17.555 11.743 2.490 1.00 12.33 O ATOM 171 CB MET A 12 -18.479 9.067 4.209 1.00 9.79 C ATOM 172 CG MET A 12 -18.233 7.571 4.143 1.00 9.05 C ATOM 173 SD MET A 12 -19.770 6.693 4.455 1.00 9.01 S ATOM 174 CE MET A 12 -19.463 5.150 3.589 1.00 10.08 C ATOM 175 HA MET A 12 -16.688 9.500 3.127 1.00 0.00 H ATOM 176 HB2 MET A 12 -18.886 9.307 5.191 1.00 0.00 H ATOM 177 HB3 MET A 12 -19.206 9.332 3.442 1.00 0.00 H ATOM 178 HG2 MET A 12 -17.496 7.291 4.895 1.00 0.00 H ATOM 179 HG3 MET A 12 -17.859 7.308 3.154 1.00 0.00 H ATOM 180 HE1 MET A 12 -19.285 5.356 2.534 1.00 0.00 H ATOM 181 HE2 MET A 12 -18.588 4.662 4.018 1.00 0.00 H ATOM 182 HE3 MET A 12 -20.331 4.498 3.692 1.00 0.00 H ATOM 183 H MET A 12 -16.665 9.289 5.988 1.00 0.00 H ATOM 184 N LYS A 13 -17.857 12.146 4.700 1.00 11.94 N ATOM 185 CA LYS A 13 -18.166 13.569 4.523 1.00 13.33 C ATOM 186 C LYS A 13 -16.993 14.334 3.939 1.00 13.90 C ATOM 187 O LYS A 13 -17.156 15.137 3.017 1.00 14.62 O ATOM 188 CB LYS A 13 -18.614 14.224 5.831 1.00 13.53 C ATOM 189 CG LYS A 13 -18.897 15.719 5.690 1.00 14.82 C ATOM 190 CD LYS A 13 -19.533 16.283 6.939 1.00 17.23 C ATOM 191 CE LYS A 13 -19.888 17.743 6.758 1.00 20.13 C ATOM 192 NZ LYS A 13 -20.776 18.251 7.838 1.00 22.83 N ATOM 193 HA LYS A 13 -18.994 13.614 3.815 1.00 0.00 H ATOM 194 HB2 LYS A 13 -19.523 13.730 6.172 1.00 0.00 H ATOM 195 HB3 LYS A 13 -17.828 14.089 6.574 1.00 0.00 H ATOM 196 HG2 LYS A 13 -17.959 16.241 5.503 1.00 0.00 H ATOM 197 HG3 LYS A 13 -19.571 15.874 4.848 1.00 0.00 H ATOM 198 HD2 LYS A 13 -20.440 15.721 7.162 1.00 0.00 H ATOM 199 HD3 LYS A 13 -18.834 16.187 7.770 1.00 0.00 H ATOM 200 HE2 LYS A 13 -20.396 17.864 5.801 1.00 0.00 H ATOM 201 HE3 LYS A 13 -18.969 18.329 6.756 1.00 0.00 H ATOM 202 HZ1 LYS A 13 -21.660 17.704 7.844 1.00 0.00 H ATOM 203 HZ2 LYS A 13 -20.297 18.148 8.756 1.00 0.00 H ATOM 204 HZ3 LYS A 13 -20.989 19.255 7.667 1.00 0.00 H ATOM 205 H LYS A 13 -17.863 11.743 5.659 1.00 0.00 H ATOM 206 N ARG A 14 -15.806 14.078 4.470 1.00 14.58 N ATOM 207 CA ARG A 14 -14.625 14.763 3.983 1.00 15.05 C ATOM 208 C ARG A 14 -14.380 14.444 2.515 1.00 15.27 C ATOM 209 O ARG A 14 -13.943 15.305 1.751 1.00 15.72 O ATOM 210 CB ARG A 14 -13.424 14.367 4.810 1.00 15.24 C ATOM 211 CG ARG A 14 -12.147 14.903 4.265 1.00 15.75 C ATOM 212 CD ARG A 14 -11.052 14.719 5.259 1.00 16.37 C ATOM 213 NE ARG A 14 -10.924 13.323 5.673 1.00 15.69 N ATOM 214 CZ ARG A 14 -10.180 12.413 5.057 1.00 17.07 C ATOM 215 NH1 ARG A 14 -9.467 12.720 3.976 1.00 16.94 N ATOM 216 NH2 ARG A 14 -10.150 11.189 5.543 1.00 16.87 N ATOM 217 HA ARG A 14 -14.785 15.837 4.075 1.00 0.00 H ATOM 218 HB2 ARG A 14 -13.558 14.747 5.823 1.00 0.00 H ATOM 219 HB3 ARG A 14 -13.362 13.279 4.837 1.00 0.00 H ATOM 220 HG2 ARG A 14 -11.895 14.372 3.347 1.00 0.00 H ATOM 221 HG3 ARG A 14 -12.264 15.965 4.049 1.00 0.00 H ATOM 222 HD2 ARG A 14 -11.265 15.329 6.136 1.00 0.00 H ATOM 223 HD3 ARG A 14 -10.112 15.043 4.813 1.00 0.00 H ATOM 224 HE ARG A 14 -11.456 13.020 6.514 1.00 0.00 H ATOM 225 HH12 ARG A 14 -8.891 11.991 3.509 1.00 0.00 H ATOM 226 HH11 ARG A 14 -9.486 13.689 3.598 1.00 0.00 H ATOM 227 HH22 ARG A 14 -9.574 10.459 5.078 1.00 0.00 H ATOM 228 HH21 ARG A 14 -10.702 10.953 6.392 1.00 0.00 H ATOM 229 H ARG A 14 -15.722 13.383 5.239 1.00 0.00 H ATOM 230 N HIS A 15 -14.684 13.208 2.128 1.00 15.26 N ATOM 231 CA HIS A 15 -14.512 12.756 0.753 1.00 15.49 C ATOM 232 C HIS A 15 -15.673 13.124 -0.183 1.00 15.45 C ATOM 233 O HIS A 15 -15.689 12.706 -1.343 1.00 16.36 O ATOM 234 CB HIS A 15 -14.248 11.251 0.718 1.00 15.58 C ATOM 235 CG HIS A 15 -12.838 10.882 1.057 1.00 16.45 C ATOM 236 ND1 HIS A 15 -12.494 10.205 2.208 1.00 17.45 N ATOM 237 CD2 HIS A 15 -11.677 11.112 0.397 1.00 17.92 C ATOM 238 CE1 HIS A 15 -11.186 10.022 2.235 1.00 17.39 C ATOM 239 NE2 HIS A 15 -10.667 10.567 1.151 1.00 18.49 N ATOM 240 HA HIS A 15 -13.645 13.294 0.368 1.00 0.00 H ATOM 241 HB2 HIS A 15 -14.913 10.768 1.434 1.00 0.00 H ATOM 242 HB3 HIS A 15 -14.469 10.885 -0.285 1.00 0.00 H ATOM 243 HD2 HIS A 15 -11.566 11.632 -0.554 1.00 0.00 H ATOM 244 HE1 HIS A 15 -10.630 9.508 3.019 1.00 0.00 H ATOM 245 H HIS A 15 -15.058 12.540 2.832 1.00 0.00 H ATOM 246 N GLY A 16 -16.637 13.894 0.318 1.00 15.11 N ATOM 247 CA GLY A 16 -17.694 14.448 -0.527 1.00 15.19 C ATOM 248 C GLY A 16 -18.881 13.550 -0.826 1.00 14.90 C ATOM 249 O GLY A 16 -19.573 13.758 -1.828 1.00 15.62 O ATOM 250 HA3 GLY A 16 -17.242 14.724 -1.480 1.00 0.00 H ATOM 251 HA2 GLY A 16 -18.074 15.342 -0.034 1.00 0.00 H ATOM 252 H GLY A 16 -16.638 14.107 1.336 1.00 0.00 H ATOM 253 N LEU A 17 -19.134 12.559 0.034 1.00 14.67 N ATOM 254 CA LEU A 17 -20.313 11.698 -0.127 1.00 14.23 C ATOM 255 C LEU A 17 -21.603 12.266 0.447 1.00 14.38 C ATOM 256 O LEU A 17 -22.679 11.836 0.046 1.00 14.16 O ATOM 257 CB LEU A 17 -20.089 10.296 0.441 1.00 14.65 C ATOM 258 CG LEU A 17 -19.296 9.290 -0.384 1.00 14.57 C ATOM 259 CD1 LEU A 17 -19.271 7.969 0.370 1.00 13.10 C ATOM 260 CD2 LEU A 17 -19.850 9.095 -1.797 1.00 13.86 C ATOM 261 HA LEU A 17 -20.441 11.644 -1.208 1.00 0.00 H ATOM 262 HB2 LEU A 17 -19.568 10.414 1.391 1.00 0.00 H ATOM 263 HB3 LEU A 17 -21.072 9.861 0.619 1.00 0.00 H ATOM 264 HG LEU A 17 -18.287 9.681 -0.516 1.00 0.00 H ATOM 265 HD21 LEU A 17 -20.877 8.734 -1.737 1.00 0.00 H ATOM 266 HD22 LEU A 17 -19.828 10.046 -2.329 1.00 0.00 H ATOM 267 HD23 LEU A 17 -19.238 8.366 -2.328 1.00 0.00 H ATOM 268 HD11 LEU A 17 -18.796 8.115 1.340 1.00 0.00 H ATOM 269 HD12 LEU A 17 -20.292 7.614 0.513 1.00 0.00 H ATOM 270 HD13 LEU A 17 -18.707 7.235 -0.205 1.00 0.00 H ATOM 271 H LEU A 17 -18.486 12.395 0.830 1.00 0.00 H ATOM 272 N ASP A 18 -21.520 13.221 1.371 1.00 14.67 N ATOM 273 CA ASP A 18 -22.739 13.777 1.966 1.00 15.11 C ATOM 274 C ASP A 18 -23.520 14.517 0.889 1.00 14.93 C ATOM 275 O ASP A 18 -23.089 15.550 0.366 1.00 15.58 O ATOM 276 CB ASP A 18 -22.446 14.671 3.185 1.00 15.78 C ATOM 277 CG ASP A 18 -23.718 15.062 3.984 1.00 17.82 C ATOM 278 OD1 ASP A 18 -23.567 15.862 4.937 1.00 20.46 O ATOM 279 OD2 ASP A 18 -24.853 14.590 3.694 1.00 18.60 O ATOM 280 HA ASP A 18 -23.346 12.957 2.350 1.00 0.00 H ATOM 281 HB2 ASP A 18 -21.770 14.136 3.852 1.00 0.00 H ATOM 282 HB3 ASP A 18 -21.963 15.584 2.836 1.00 0.00 H ATOM 283 H ASP A 18 -20.589 13.573 1.671 1.00 0.00 H ATOM 284 N ASN A 19 -24.664 13.941 0.549 1.00 14.05 N ATOM 285 CA ASN A 19 -25.539 14.425 -0.512 1.00 13.66 C ATOM 286 C ASN A 19 -25.005 14.212 -1.933 1.00 12.73 C ATOM 287 O ASN A 19 -25.498 14.826 -2.876 1.00 12.73 O ATOM 288 CB ASN A 19 -26.013 15.869 -0.274 1.00 14.51 C ATOM 289 CG ASN A 19 -27.486 16.061 -0.617 1.00 16.74 C ATOM 290 OD1 ASN A 19 -27.916 17.165 -0.961 1.00 20.12 O ATOM 291 ND2 ASN A 19 -28.271 14.986 -0.516 1.00 17.44 N ATOM 292 HA ASN A 19 -26.418 13.783 -0.451 1.00 0.00 H ATOM 293 HB2 ASN A 19 -25.862 16.119 0.776 1.00 0.00 H ATOM 294 HB3 ASN A 19 -25.418 16.540 -0.894 1.00 0.00 H ATOM 295 HD22 ASN A 19 -27.868 14.073 -0.222 1.00 0.00 H ATOM 296 HD21 ASN A 19 -29.286 15.061 -0.731 1.00 0.00 H ATOM 297 H ASN A 19 -24.956 13.091 1.072 1.00 0.00 H ATOM 298 N TYR A 20 -24.022 13.331 -2.096 1.00 12.33 N ATOM 299 CA TYR A 20 -23.550 12.999 -3.431 1.00 11.72 C ATOM 300 C TYR A 20 -24.677 12.298 -4.203 1.00 10.97 C ATOM 301 O TYR A 20 -25.286 11.347 -3.701 1.00 10.24 O ATOM 302 CB TYR A 20 -22.276 12.149 -3.394 1.00 11.60 C ATOM 303 CG TYR A 20 -21.659 12.002 -4.757 1.00 11.95 C ATOM 304 CD1 TYR A 20 -20.720 12.922 -5.228 1.00 12.94 C ATOM 305 CD2 TYR A 20 -22.046 10.967 -5.602 1.00 11.85 C ATOM 306 CE1 TYR A 20 -20.175 12.789 -6.492 1.00 13.76 C ATOM 307 CE2 TYR A 20 -21.503 10.832 -6.867 1.00 12.53 C ATOM 308 CZ TYR A 20 -20.578 11.751 -7.303 1.00 13.76 C ATOM 309 OH TYR A 20 -20.041 11.618 -8.552 1.00 15.28 O ATOM 310 HA TYR A 20 -23.283 13.921 -3.948 1.00 0.00 H ATOM 311 HB3 TYR A 20 -22.524 11.159 -3.011 1.00 0.00 H ATOM 312 HB2 TYR A 20 -21.554 12.624 -2.730 1.00 0.00 H ATOM 313 HD2 TYR A 20 -22.791 10.249 -5.261 1.00 0.00 H ATOM 314 HE2 TYR A 20 -21.805 10.006 -7.511 1.00 0.00 H ATOM 315 HE1 TYR A 20 -19.430 13.502 -6.845 1.00 0.00 H ATOM 316 HD1 TYR A 20 -20.414 13.753 -4.593 1.00 0.00 H ATOM 317 HH TYR A 20 -19.397 12.353 -8.713 1.00 0.00 H ATOM 318 H TYR A 20 -23.589 12.878 -1.266 1.00 0.00 H ATOM 319 N ARG A 21 -24.974 12.799 -5.404 1.00 11.72 N ATOM 320 CA ARG A 21 -26.117 12.319 -6.189 1.00 11.82 C ATOM 321 C ARG A 21 -27.425 12.400 -5.399 1.00 10.90 C ATOM 322 O ARG A 21 -28.362 11.644 -5.658 1.00 11.35 O ATOM 323 CB ARG A 21 -25.874 10.901 -6.730 1.00 12.82 C ATOM 324 CG ARG A 21 -25.003 10.867 -7.973 1.00 14.47 C ATOM 325 CD ARG A 21 -25.826 10.719 -9.257 1.00 16.54 C ATOM 326 NE ARG A 21 -26.915 11.692 -9.348 1.00 18.03 N ATOM 327 CZ ARG A 21 -26.775 12.952 -9.753 1.00 18.99 C ATOM 328 NH1 ARG A 21 -25.585 13.418 -10.117 1.00 20.40 N ATOM 329 NH2 ARG A 21 -27.833 13.753 -9.792 1.00 19.97 N ATOM 330 HA ARG A 21 -26.218 12.984 -7.047 1.00 0.00 H ATOM 331 HB2 ARG A 21 -25.388 10.313 -5.952 1.00 0.00 H ATOM 332 HB3 ARG A 21 -26.838 10.454 -6.972 1.00 0.00 H ATOM 333 HG2 ARG A 21 -24.433 11.794 -8.027 1.00 0.00 H ATOM 334 HG3 ARG A 21 -24.317 10.024 -7.897 1.00 0.00 H ATOM 335 HD2 ARG A 21 -26.252 9.716 -9.284 1.00 0.00 H ATOM 336 HD3 ARG A 21 -25.165 10.855 -10.113 1.00 0.00 H ATOM 337 HE ARG A 21 -27.868 11.376 -9.076 1.00 0.00 H ATOM 338 HH12 ARG A 21 -25.487 14.404 -10.432 1.00 0.00 H ATOM 339 HH11 ARG A 21 -24.752 12.796 -10.087 1.00 0.00 H ATOM 340 HH22 ARG A 21 -27.728 14.738 -10.108 1.00 0.00 H ATOM 341 HH21 ARG A 21 -28.767 13.395 -9.507 1.00 0.00 H ATOM 342 H ARG A 21 -24.376 13.554 -5.796 1.00 0.00 H ATOM 343 N GLY A 22 -27.470 13.316 -4.432 1.00 10.77 N ATOM 344 CA GLY A 22 -28.654 13.530 -3.613 1.00 10.20 C ATOM 345 C GLY A 22 -28.846 12.561 -2.449 1.00 9.59 C ATOM 346 O GLY A 22 -29.898 12.577 -1.798 1.00 9.66 O ATOM 347 HA3 GLY A 22 -29.527 13.451 -4.261 1.00 0.00 H ATOM 348 HA2 GLY A 22 -28.598 14.538 -3.202 1.00 0.00 H ATOM 349 H GLY A 22 -26.627 13.900 -4.256 1.00 0.00 H ATOM 350 N TYR A 23 -27.846 11.726 -2.167 1.00 9.16 N ATOM 351 CA TYR A 23 -27.938 10.772 -1.065 1.00 9.00 C ATOM 352 C TYR A 23 -27.233 11.312 0.161 1.00 8.80 C ATOM 353 O TYR A 23 -26.014 11.463 0.172 1.00 9.07 O ATOM 354 CB TYR A 23 -27.357 9.426 -1.484 1.00 9.10 C ATOM 355 CG TYR A 23 -28.213 8.721 -2.504 1.00 8.03 C ATOM 356 CD1 TYR A 23 -29.258 7.895 -2.103 1.00 7.87 C ATOM 357 CD2 TYR A 23 -27.983 8.876 -3.871 1.00 8.42 C ATOM 358 CE1 TYR A 23 -30.061 7.254 -3.022 1.00 7.95 C ATOM 359 CE2 TYR A 23 -28.788 8.235 -4.811 1.00 8.23 C ATOM 360 CZ TYR A 23 -29.815 7.411 -4.369 1.00 7.88 C ATOM 361 OH TYR A 23 -30.608 6.738 -5.261 1.00 8.53 O ATOM 362 HA TYR A 23 -28.988 10.625 -0.812 1.00 0.00 H ATOM 363 HB3 TYR A 23 -27.271 8.792 -0.601 1.00 0.00 H ATOM 364 HB2 TYR A 23 -26.367 9.590 -1.911 1.00 0.00 H ATOM 365 HD2 TYR A 23 -27.162 9.508 -4.209 1.00 0.00 H ATOM 366 HE2 TYR A 23 -28.614 8.378 -5.877 1.00 0.00 H ATOM 367 HE1 TYR A 23 -30.886 6.626 -2.685 1.00 0.00 H ATOM 368 HD1 TYR A 23 -29.446 7.752 -1.039 1.00 0.00 H ATOM 369 HH TYR A 23 -31.068 7.389 -5.848 1.00 0.00 H ATOM 370 H TYR A 23 -26.981 11.754 -2.744 1.00 0.00 H ATOM 371 N SER A 24 -28.020 11.600 1.196 1.00 9.51 N ATOM 372 CA SER A 24 -27.488 12.152 2.433 1.00 9.94 C ATOM 373 C SER A 24 -26.502 11.195 3.081 1.00 9.53 C ATOM 374 O SER A 24 -26.530 9.972 2.844 1.00 9.58 O ATOM 375 CB SER A 24 -28.615 12.445 3.409 1.00 10.66 C ATOM 376 OG SER A 24 -29.245 11.244 3.786 1.00 12.55 O ATOM 377 HA SER A 24 -26.968 13.078 2.185 1.00 0.00 H ATOM 378 HB2 SER A 24 -29.343 13.102 2.934 1.00 0.00 H ATOM 379 HB3 SER A 24 -28.209 12.934 4.294 1.00 0.00 H ATOM 380 HG SER A 24 -29.978 11.442 4.422 1.00 0.00 H ATOM 381 H SER A 24 -29.042 11.426 1.118 1.00 0.00 H ATOM 382 N LEU A 25 -25.652 11.758 3.934 1.00 9.06 N ATOM 383 CA LEU A 25 -24.592 11.001 4.592 1.00 9.01 C ATOM 384 C LEU A 25 -25.090 9.736 5.299 1.00 8.30 C ATOM 385 O LEU A 25 -24.439 8.695 5.227 1.00 8.33 O ATOM 386 CB LEU A 25 -23.851 11.916 5.570 1.00 9.41 C ATOM 387 CG LEU A 25 -22.583 11.364 6.201 1.00 9.73 C ATOM 388 CD1 LEU A 25 -21.537 10.975 5.157 1.00 11.05 C ATOM 389 CD2 LEU A 25 -22.035 12.411 7.158 1.00 11.33 C ATOM 390 HA LEU A 25 -23.913 10.652 3.814 1.00 0.00 H ATOM 391 HB2 LEU A 25 -23.583 12.825 5.032 1.00 0.00 H ATOM 392 HB3 LEU A 25 -24.540 12.163 6.377 1.00 0.00 H ATOM 393 HG LEU A 25 -22.825 10.448 6.740 1.00 0.00 H ATOM 394 HD21 LEU A 25 -21.813 13.325 6.607 1.00 0.00 H ATOM 395 HD22 LEU A 25 -22.777 12.621 7.928 1.00 0.00 H ATOM 396 HD23 LEU A 25 -21.124 12.035 7.623 1.00 0.00 H ATOM 397 HD11 LEU A 25 -21.949 10.209 4.500 1.00 0.00 H ATOM 398 HD12 LEU A 25 -21.268 11.853 4.570 1.00 0.00 H ATOM 399 HD13 LEU A 25 -20.651 10.587 5.659 1.00 0.00 H ATOM 400 H LEU A 25 -25.746 12.773 4.140 1.00 0.00 H ATOM 401 N GLY A 26 -26.229 9.823 5.978 1.00 8.16 N ATOM 402 CA GLY A 26 -26.774 8.664 6.667 1.00 8.17 C ATOM 403 C GLY A 26 -27.059 7.485 5.739 1.00 7.28 C ATOM 404 O GLY A 26 -26.932 6.330 6.156 1.00 7.59 O ATOM 405 HA3 GLY A 26 -27.706 8.956 7.151 1.00 0.00 H ATOM 406 HA2 GLY A 26 -26.058 8.343 7.424 1.00 0.00 H ATOM 407 H GLY A 26 -26.736 10.730 6.017 1.00 0.00 H ATOM 408 N ASN A 27 -27.457 7.747 4.493 1.00 7.46 N ATOM 409 CA ASN A 27 -27.627 6.668 3.519 1.00 7.23 C ATOM 410 C ASN A 27 -26.336 5.886 3.299 1.00 7.17 C ATOM 411 O ASN A 27 -26.356 4.658 3.221 1.00 7.00 O ATOM 412 CB ASN A 27 -28.114 7.216 2.181 1.00 7.37 C ATOM 413 CG ASN A 27 -29.589 7.495 2.179 1.00 7.24 C ATOM 414 OD1 ASN A 27 -30.390 6.568 2.135 1.00 7.80 O ATOM 415 ND2 ASN A 27 -29.962 8.772 2.235 1.00 8.95 N ATOM 416 HA ASN A 27 -28.374 5.990 3.932 1.00 0.00 H ATOM 417 HB2 ASN A 27 -27.582 8.143 1.968 1.00 0.00 H ATOM 418 HB3 ASN A 27 -27.895 6.485 1.403 1.00 0.00 H ATOM 419 HD22 ASN A 27 -29.243 9.523 2.271 1.00 0.00 H ATOM 420 HD21 ASN A 27 -30.972 9.019 2.243 1.00 0.00 H ATOM 421 H ASN A 27 -27.649 8.729 4.210 1.00 0.00 H ATOM 422 N TRP A 28 -25.222 6.605 3.179 1.00 7.47 N ATOM 423 CA TRP A 28 -23.916 5.999 2.928 1.00 7.39 C ATOM 424 C TRP A 28 -23.417 5.232 4.144 1.00 7.02 C ATOM 425 O TRP A 28 -22.856 4.145 4.000 1.00 7.55 O ATOM 426 CB TRP A 28 -22.918 7.088 2.511 1.00 7.71 C ATOM 427 CG TRP A 28 -23.268 7.707 1.210 1.00 7.58 C ATOM 428 CD1 TRP A 28 -23.838 8.932 0.999 1.00 8.49 C ATOM 429 CD2 TRP A 28 -23.091 7.120 -0.071 1.00 8.09 C ATOM 430 NE1 TRP A 28 -24.009 9.151 -0.347 1.00 8.82 N ATOM 431 CE2 TRP A 28 -23.570 8.042 -1.026 1.00 8.41 C ATOM 432 CE3 TRP A 28 -22.564 5.898 -0.510 1.00 8.56 C ATOM 433 CZ2 TRP A 28 -23.526 7.786 -2.393 1.00 9.16 C ATOM 434 CZ3 TRP A 28 -22.519 5.639 -1.866 1.00 9.19 C ATOM 435 CH2 TRP A 28 -23.000 6.580 -2.792 1.00 9.66 C ATOM 436 HA TRP A 28 -24.014 5.279 2.116 1.00 0.00 H ATOM 437 HB2 TRP A 28 -22.906 7.864 3.276 1.00 0.00 H ATOM 438 HB3 TRP A 28 -21.926 6.643 2.432 1.00 0.00 H ATOM 439 HE1 TRP A 28 -24.404 10.011 -0.778 1.00 0.00 H ATOM 440 HD1 TRP A 28 -24.117 9.634 1.785 1.00 0.00 H ATOM 441 HZ2 TRP A 28 -23.894 8.512 -3.118 1.00 0.00 H ATOM 442 HH2 TRP A 28 -22.955 6.347 -3.856 1.00 0.00 H ATOM 443 HZ3 TRP A 28 -22.106 4.695 -2.221 1.00 0.00 H ATOM 444 HE3 TRP A 28 -22.196 5.164 0.207 1.00 0.00 H ATOM 445 H TRP A 28 -25.284 7.639 3.267 1.00 0.00 H ATOM 446 N VAL A 29 -23.619 5.799 5.336 1.00 7.46 N ATOM 447 CA VAL A 29 -23.221 5.116 6.558 1.00 7.39 C ATOM 448 C VAL A 29 -24.052 3.838 6.748 1.00 7.11 C ATOM 449 O VAL A 29 -23.503 2.780 7.071 1.00 7.18 O ATOM 450 CB VAL A 29 -23.301 6.060 7.785 1.00 7.64 C ATOM 451 CG1 VAL A 29 -22.996 5.302 9.076 1.00 8.50 C ATOM 452 CG2 VAL A 29 -22.343 7.241 7.620 1.00 8.65 C ATOM 453 HA VAL A 29 -22.176 4.819 6.467 1.00 0.00 H ATOM 454 HB VAL A 29 -24.318 6.446 7.848 1.00 0.00 H ATOM 455 HG11 VAL A 29 -23.721 4.498 9.204 1.00 0.00 H ATOM 456 HG12 VAL A 29 -21.992 4.882 9.021 1.00 0.00 H ATOM 457 HG13 VAL A 29 -23.059 5.987 9.922 1.00 0.00 H ATOM 458 HG21 VAL A 29 -21.323 6.869 7.526 1.00 0.00 H ATOM 459 HG22 VAL A 29 -22.611 7.802 6.724 1.00 0.00 H ATOM 460 HG23 VAL A 29 -22.415 7.891 8.492 1.00 0.00 H ATOM 461 H VAL A 29 -24.065 6.737 5.392 1.00 0.00 H ATOM 462 N CYS A 30 -25.367 3.943 6.536 1.00 7.31 N ATOM 463 CA CYS A 30 -26.252 2.793 6.640 1.00 7.34 C ATOM 464 C CYS A 30 -25.846 1.703 5.638 1.00 7.04 C ATOM 465 O CYS A 30 -25.792 0.517 5.986 1.00 7.50 O ATOM 466 CB CYS A 30 -27.703 3.232 6.421 1.00 7.11 C ATOM 467 SG CYS A 30 -28.911 1.930 6.660 1.00 7.92 S ATOM 468 HA CYS A 30 -26.166 2.369 7.641 1.00 0.00 H ATOM 469 HB2 CYS A 30 -27.798 3.603 5.400 1.00 0.00 H ATOM 470 HB3 CYS A 30 -27.926 4.037 7.121 1.00 0.00 H ATOM 471 HG CYS A 30 -27.890 1.370 7.401 1.00 0.00 H ATOM 472 H CYS A 30 -25.768 4.871 6.290 1.00 0.00 H ATOM 473 N ALA A 31 -25.547 2.102 4.401 1.00 7.27 N ATOM 474 CA ALA A 31 -25.115 1.133 3.388 1.00 7.37 C ATOM 475 C ALA A 31 -23.860 0.395 3.850 1.00 7.09 C ATOM 476 O ALA A 31 -23.798 -0.833 3.777 1.00 7.02 O ATOM 477 CB ALA A 31 -24.877 1.816 2.056 1.00 8.33 C ATOM 478 HA ALA A 31 -25.912 0.401 3.255 1.00 0.00 H ATOM 479 HB1 ALA A 31 -25.801 2.287 1.721 1.00 0.00 H ATOM 480 HB2 ALA A 31 -24.102 2.574 2.171 1.00 0.00 H ATOM 481 HB3 ALA A 31 -24.558 1.076 1.322 1.00 0.00 H ATOM 482 H ALA A 31 -25.621 3.109 4.152 1.00 0.00 H ATOM 483 N ALA A 32 -22.856 1.133 4.317 1.00 6.90 N ATOM 484 CA ALA A 32 -21.628 0.507 4.799 1.00 6.97 C ATOM 485 C ALA A 32 -21.887 -0.410 5.986 1.00 6.74 C ATOM 486 O ALA A 32 -21.291 -1.485 6.090 1.00 7.24 O ATOM 487 CB ALA A 32 -20.588 1.558 5.139 1.00 7.63 C ATOM 488 HA ALA A 32 -21.238 -0.114 3.993 1.00 0.00 H ATOM 489 HB1 ALA A 32 -20.360 2.143 4.248 1.00 0.00 H ATOM 490 HB2 ALA A 32 -20.978 2.215 5.916 1.00 0.00 H ATOM 491 HB3 ALA A 32 -19.682 1.069 5.496 1.00 0.00 H ATOM 492 H ALA A 32 -22.947 2.169 4.339 1.00 0.00 H ATOM 493 N LYS A 33 -22.761 0.010 6.895 1.00 7.32 N ATOM 494 CA LYS A 33 -23.083 -0.815 8.045 1.00 7.99 C ATOM 495 C LYS A 33 -23.553 -2.197 7.611 1.00 7.80 C ATOM 496 O LYS A 33 -23.073 -3.214 8.110 1.00 8.46 O ATOM 497 CB LYS A 33 -24.171 -0.142 8.882 1.00 8.76 C ATOM 498 CG LYS A 33 -24.766 -1.006 9.958 1.00 11.14 C ATOM 499 CD LYS A 33 -23.780 -1.307 11.043 1.00 13.39 C ATOM 500 CE LYS A 33 -24.427 -2.118 12.141 1.00 15.51 C ATOM 501 NZ LYS A 33 -23.426 -2.497 13.166 1.00 17.95 N ATOM 502 HA LYS A 33 -22.180 -0.929 8.644 1.00 0.00 H ATOM 503 HB2 LYS A 33 -23.738 0.739 9.356 1.00 0.00 H ATOM 504 HB3 LYS A 33 -24.973 0.165 8.211 1.00 0.00 H ATOM 505 HG2 LYS A 33 -25.621 -0.489 10.393 1.00 0.00 H ATOM 506 HG3 LYS A 33 -25.098 -1.944 9.513 1.00 0.00 H ATOM 507 HD2 LYS A 33 -22.947 -1.872 10.624 1.00 0.00 H ATOM 508 HD3 LYS A 33 -23.409 -0.371 11.460 1.00 0.00 H ATOM 509 HE2 LYS A 33 -24.861 -3.021 11.712 1.00 0.00 H ATOM 510 HE3 LYS A 33 -25.213 -1.526 12.609 1.00 0.00 H ATOM 511 HZ1 LYS A 33 -22.676 -3.065 12.723 1.00 0.00 H ATOM 512 HZ2 LYS A 33 -23.012 -1.637 13.580 1.00 0.00 H ATOM 513 HZ3 LYS A 33 -23.889 -3.054 13.912 1.00 0.00 H ATOM 514 H LYS A 33 -23.218 0.937 6.781 1.00 0.00 H ATOM 515 N PHE A 34 -24.513 -2.230 6.697 1.00 7.68 N ATOM 516 CA PHE A 34 -25.113 -3.501 6.340 1.00 8.09 C ATOM 517 C PHE A 34 -24.374 -4.245 5.239 1.00 8.41 C ATOM 518 O PHE A 34 -24.509 -5.453 5.132 1.00 9.56 O ATOM 519 CB PHE A 34 -26.608 -3.356 6.064 1.00 8.16 C ATOM 520 CG PHE A 34 -27.384 -2.925 7.273 1.00 7.90 C ATOM 521 CD1 PHE A 34 -27.352 -3.686 8.441 1.00 8.42 C ATOM 522 CD2 PHE A 34 -28.122 -1.754 7.262 1.00 10.48 C ATOM 523 CE1 PHE A 34 -28.055 -3.298 9.571 1.00 9.21 C ATOM 524 CE2 PHE A 34 -28.840 -1.359 8.387 1.00 11.96 C ATOM 525 CZ PHE A 34 -28.803 -2.135 9.545 1.00 10.62 C ATOM 526 HA PHE A 34 -25.008 -4.142 7.215 1.00 0.00 H ATOM 527 HB2 PHE A 34 -26.747 -2.614 5.278 1.00 0.00 H ATOM 528 HB3 PHE A 34 -26.995 -4.317 5.726 1.00 0.00 H ATOM 529 HD2 PHE A 34 -28.141 -1.136 6.364 1.00 0.00 H ATOM 530 HE2 PHE A 34 -29.431 -0.443 8.363 1.00 0.00 H ATOM 531 HZ PHE A 34 -29.362 -1.826 10.428 1.00 0.00 H ATOM 532 HE1 PHE A 34 -28.018 -3.906 10.475 1.00 0.00 H ATOM 533 HD1 PHE A 34 -26.763 -4.603 8.466 1.00 0.00 H ATOM 534 H PHE A 34 -24.833 -1.352 6.240 1.00 0.00 H ATOM 535 N GLU A 35 -23.570 -3.543 4.446 1.00 7.97 N ATOM 536 CA GLU A 35 -22.720 -4.211 3.465 1.00 8.19 C ATOM 537 C GLU A 35 -21.499 -4.874 4.116 1.00 8.26 C ATOM 538 O GLU A 35 -21.181 -6.025 3.807 1.00 8.86 O ATOM 539 CB GLU A 35 -22.300 -3.242 2.361 1.00 8.46 C ATOM 540 CG GLU A 35 -23.426 -2.828 1.425 1.00 9.26 C ATOM 541 CD GLU A 35 -23.887 -3.937 0.487 1.00 10.30 C ATOM 542 OE1 GLU A 35 -23.326 -5.065 0.551 1.00 12.08 O ATOM 543 OE2 GLU A 35 -24.816 -3.676 -0.310 1.00 12.16 O ATOM 544 HA GLU A 35 -23.310 -5.008 3.013 1.00 0.00 H ATOM 545 HB2 GLU A 35 -21.899 -2.344 2.830 1.00 0.00 H ATOM 546 HB3 GLU A 35 -21.521 -3.719 1.767 1.00 0.00 H ATOM 547 HG2 GLU A 35 -24.277 -2.513 2.029 1.00 0.00 H ATOM 548 HG3 GLU A 35 -23.080 -1.989 0.821 1.00 0.00 H ATOM 549 H GLU A 35 -23.546 -2.506 4.526 1.00 0.00 H ATOM 550 N SER A 36 -20.822 -4.162 5.016 1.00 8.89 N ATOM 551 CA SER A 36 -19.521 -4.613 5.526 1.00 8.83 C ATOM 552 C SER A 36 -19.374 -4.599 7.042 1.00 9.17 C ATOM 553 O SER A 36 -18.319 -4.959 7.556 1.00 9.70 O ATOM 554 CB SER A 36 -18.407 -3.749 4.945 1.00 8.62 C ATOM 555 OG SER A 36 -18.477 -2.437 5.489 1.00 8.31 O ATOM 556 HA SER A 36 -19.452 -5.654 5.211 1.00 0.00 H ATOM 557 HB2 SER A 36 -18.517 -3.698 3.862 1.00 0.00 H ATOM 558 HB3 SER A 36 -17.441 -4.191 5.190 1.00 0.00 H ATOM 559 HG SER A 36 -19.353 -2.034 5.265 1.00 0.00 H ATOM 560 H SER A 36 -21.223 -3.268 5.365 1.00 0.00 H ATOM 561 N ASN A 37 -20.396 -4.135 7.755 1.00 9.45 N ATOM 562 CA ASN A 37 -20.286 -3.835 9.187 1.00 10.18 C ATOM 563 C ASN A 37 -19.083 -2.943 9.499 1.00 9.22 C ATOM 564 O ASN A 37 -18.439 -3.072 10.545 1.00 9.66 O ATOM 565 CB ASN A 37 -20.329 -5.090 10.072 1.00 11.84 C ATOM 566 CG ASN A 37 -20.807 -4.781 11.499 1.00 13.37 C ATOM 567 OD1 ASN A 37 -21.346 -3.708 11.768 1.00 16.12 O ATOM 568 ND2 ASN A 37 -20.581 -5.714 12.414 1.00 16.79 N ATOM 569 HA ASN A 37 -21.178 -3.263 9.443 1.00 0.00 H ATOM 570 HB2 ASN A 37 -21.010 -5.813 9.623 1.00 0.00 H ATOM 571 HB3 ASN A 37 -19.328 -5.518 10.122 1.00 0.00 H ATOM 572 HD22 ASN A 37 -20.122 -6.607 12.143 1.00 0.00 H ATOM 573 HD21 ASN A 37 -20.862 -5.552 13.402 1.00 0.00 H ATOM 574 H ASN A 37 -21.308 -3.979 7.280 1.00 0.00 H ATOM 575 N PHE A 38 -18.812 -2.013 8.585 1.00 7.89 N ATOM 576 CA PHE A 38 -17.755 -1.016 8.738 1.00 7.73 C ATOM 577 C PHE A 38 -16.333 -1.588 8.658 1.00 7.87 C ATOM 578 O PHE A 38 -15.372 -0.907 9.025 1.00 8.22 O ATOM 579 CB PHE A 38 -17.908 -0.202 10.036 1.00 7.98 C ATOM 580 CG PHE A 38 -19.226 0.521 10.198 1.00 7.69 C ATOM 581 CD1 PHE A 38 -19.903 1.090 9.124 1.00 7.84 C ATOM 582 CD2 PHE A 38 -19.740 0.696 11.474 1.00 9.65 C ATOM 583 CE1 PHE A 38 -21.089 1.793 9.321 1.00 8.34 C ATOM 584 CE2 PHE A 38 -20.926 1.398 11.690 1.00 10.10 C ATOM 585 CZ PHE A 38 -21.602 1.948 10.614 1.00 9.25 C ATOM 586 HA PHE A 38 -17.885 -0.357 7.879 1.00 0.00 H ATOM 587 HB2 PHE A 38 -17.794 -0.886 10.877 1.00 0.00 H ATOM 588 HB3 PHE A 38 -17.111 0.541 10.063 1.00 0.00 H ATOM 589 HD2 PHE A 38 -19.206 0.276 12.326 1.00 0.00 H ATOM 590 HE2 PHE A 38 -21.318 1.513 12.700 1.00 0.00 H ATOM 591 HZ PHE A 38 -22.529 2.499 10.773 1.00 0.00 H ATOM 592 HE1 PHE A 38 -21.617 2.222 8.469 1.00 0.00 H ATOM 593 HD1 PHE A 38 -19.500 0.984 8.117 1.00 0.00 H ATOM 594 H PHE A 38 -19.383 -1.996 7.716 1.00 0.00 H ATOM 595 N ASN A 39 -16.201 -2.813 8.149 1.00 8.19 N ATOM 596 CA ASN A 39 -14.916 -3.485 8.059 1.00 8.42 C ATOM 597 C ASN A 39 -14.329 -3.332 6.659 1.00 8.27 C ATOM 598 O ASN A 39 -14.855 -3.895 5.689 1.00 8.51 O ATOM 599 CB ASN A 39 -15.103 -4.959 8.412 1.00 9.00 C ATOM 600 CG ASN A 39 -13.787 -5.710 8.555 1.00 9.22 C ATOM 601 OD1 ASN A 39 -12.736 -5.246 8.119 1.00 9.01 O ATOM 602 ND2 ASN A 39 -13.847 -6.888 9.173 1.00 11.75 N ATOM 603 HA ASN A 39 -14.216 -3.032 8.761 1.00 0.00 H ATOM 604 HB2 ASN A 39 -15.644 -5.024 9.356 1.00 0.00 H ATOM 605 HB3 ASN A 39 -15.689 -5.433 7.625 1.00 0.00 H ATOM 606 HD22 ASN A 39 -14.758 -7.244 9.527 1.00 0.00 H ATOM 607 HD21 ASN A 39 -12.983 -7.452 9.302 1.00 0.00 H ATOM 608 H ASN A 39 -17.049 -3.306 7.804 1.00 0.00 H ATOM 609 N THR A 40 -13.236 -2.580 6.552 1.00 8.32 N ATOM 610 CA THR A 40 -12.612 -2.344 5.254 1.00 8.78 C ATOM 611 C THR A 40 -12.099 -3.616 4.571 1.00 8.38 C ATOM 612 O THR A 40 -11.937 -3.630 3.357 1.00 8.96 O ATOM 613 CB THR A 40 -11.458 -1.336 5.320 1.00 9.49 C ATOM 614 OG1 THR A 40 -10.420 -1.866 6.146 1.00 11.02 O ATOM 615 CG2 THR A 40 -11.920 0.002 5.873 1.00 10.46 C ATOM 616 HA THR A 40 -13.424 -1.932 4.655 1.00 0.00 H ATOM 617 HB THR A 40 -11.087 -1.170 4.309 1.00 0.00 H ATOM 618 HG1 THR A 40 -10.774 -2.027 7.056 1.00 0.00 H ATOM 619 HG23 THR A 40 -12.712 0.402 5.239 1.00 0.00 H ATOM 620 HG21 THR A 40 -12.298 -0.136 6.886 1.00 0.00 H ATOM 621 HG22 THR A 40 -11.080 0.697 5.889 1.00 0.00 H ATOM 622 H THR A 40 -12.821 -2.155 7.405 1.00 0.00 H ATOM 623 N GLN A 41 -11.839 -4.667 5.346 1.00 7.92 N ATOM 624 CA GLN A 41 -11.278 -5.906 4.808 1.00 8.12 C ATOM 625 C GLN A 41 -12.310 -6.912 4.336 1.00 7.81 C ATOM 626 O GLN A 41 -11.928 -7.958 3.817 1.00 8.31 O ATOM 627 CB GLN A 41 -10.352 -6.567 5.825 1.00 8.15 C ATOM 628 CG GLN A 41 -9.177 -5.723 6.220 1.00 9.43 C ATOM 629 CD GLN A 41 -8.138 -6.541 6.936 1.00 10.05 C ATOM 630 OE1 GLN A 41 -7.418 -7.331 6.320 1.00 12.27 O ATOM 631 NE2 GLN A 41 -8.074 -6.397 8.248 1.00 10.09 N ATOM 632 HA GLN A 41 -10.719 -5.601 3.924 1.00 0.00 H ATOM 633 HB2 GLN A 41 -10.931 -6.790 6.721 1.00 0.00 H ATOM 634 HB3 GLN A 41 -9.978 -7.496 5.395 1.00 0.00 H ATOM 635 HG2 GLN A 41 -8.733 -5.289 5.324 1.00 0.00 H ATOM 636 HG3 GLN A 41 -9.518 -4.924 6.879 1.00 0.00 H ATOM 637 HE22 GLN A 41 -8.700 -5.719 8.728 1.00 0.00 H ATOM 638 HE21 GLN A 41 -7.398 -6.962 8.801 1.00 0.00 H ATOM 639 H GLN A 41 -12.041 -4.605 6.364 1.00 0.00 H ATOM 640 N ALA A 42 -13.599 -6.595 4.467 1.00 7.91 N ATOM 641 CA ALA A 42 -14.644 -7.555 4.137 1.00 7.93 C ATOM 642 C ALA A 42 -14.637 -7.977 2.671 1.00 7.71 C ATOM 643 O ALA A 42 -14.583 -7.139 1.777 1.00 7.77 O ATOM 644 CB ALA A 42 -16.004 -7.003 4.515 1.00 8.84 C ATOM 645 HA ALA A 42 -14.433 -8.452 4.720 1.00 0.00 H ATOM 646 HB1 ALA A 42 -16.029 -6.803 5.586 1.00 0.00 H ATOM 647 HB2 ALA A 42 -16.184 -6.078 3.968 1.00 0.00 H ATOM 648 HB3 ALA A 42 -16.774 -7.732 4.262 1.00 0.00 H ATOM 649 H ALA A 42 -13.862 -5.649 4.810 1.00 0.00 H ATOM 650 N THR A 43 -14.717 -9.285 2.446 1.00 8.03 N ATOM 651 CA THR A 43 -14.861 -9.854 1.103 1.00 8.89 C ATOM 652 C THR A 43 -15.939 -10.913 1.137 1.00 9.20 C ATOM 653 O THR A 43 -16.065 -11.643 2.124 1.00 10.41 O ATOM 654 CB THR A 43 -13.549 -10.504 0.578 1.00 9.41 C ATOM 655 OG1 THR A 43 -13.137 -11.581 1.437 1.00 10.35 O ATOM 656 CG2 THR A 43 -12.454 -9.475 0.464 1.00 9.82 C ATOM 657 HA THR A 43 -15.117 -9.036 0.430 1.00 0.00 H ATOM 658 HB THR A 43 -13.745 -10.910 -0.414 1.00 0.00 H ATOM 659 HG1 THR A 43 -12.979 -11.232 2.350 1.00 0.00 H ATOM 660 HG23 THR A 43 -12.783 -8.667 -0.190 1.00 0.00 H ATOM 661 HG21 THR A 43 -12.229 -9.075 1.453 1.00 0.00 H ATOM 662 HG22 THR A 43 -11.561 -9.941 0.047 1.00 0.00 H ATOM 663 H THR A 43 -14.676 -9.933 3.259 1.00 0.00 H ATOM 664 N ASN A 44 -16.706 -11.020 0.055 1.00 9.29 N ATOM 665 CA ASN A 44 -17.756 -12.023 -0.026 1.00 10.04 C ATOM 666 C ASN A 44 -17.963 -12.487 -1.451 1.00 9.76 C ATOM 667 O ASN A 44 -18.172 -11.678 -2.343 1.00 8.83 O ATOM 668 CB ASN A 44 -19.069 -11.464 0.522 1.00 11.01 C ATOM 669 CG ASN A 44 -19.028 -11.234 2.023 1.00 12.93 C ATOM 670 OD1 ASN A 44 -19.010 -12.187 2.802 1.00 15.60 O ATOM 671 ND2 ASN A 44 -18.998 -9.971 2.437 1.00 15.08 N ATOM 672 HA ASN A 44 -17.444 -12.877 0.576 1.00 0.00 H ATOM 673 HB2 ASN A 44 -19.277 -10.514 0.029 1.00 0.00 H ATOM 674 HB3 ASN A 44 -19.869 -12.170 0.299 1.00 0.00 H ATOM 675 HD22 ASN A 44 -19.015 -9.196 1.744 1.00 0.00 H ATOM 676 HD21 ASN A 44 -18.958 -9.758 3.454 1.00 0.00 H ATOM 677 H ASN A 44 -16.552 -10.375 -0.746 1.00 0.00 H ATOM 678 N ARG A 45 -17.883 -13.795 -1.663 1.00 10.17 N ATOM 679 CA ARG A 45 -18.073 -14.395 -2.980 1.00 10.95 C ATOM 680 C ARG A 45 -19.541 -14.524 -3.355 1.00 11.42 C ATOM 681 O ARG A 45 -20.383 -14.814 -2.506 1.00 12.89 O ATOM 682 CB ARG A 45 -17.453 -15.795 -3.002 1.00 11.74 C ATOM 683 CG ARG A 45 -17.305 -16.389 -4.381 1.00 15.16 C ATOM 684 CD ARG A 45 -16.025 -15.930 -4.994 1.00 18.82 C ATOM 685 NE ARG A 45 -14.974 -16.926 -4.820 1.00 19.66 N ATOM 686 CZ ARG A 45 -14.308 -17.490 -5.824 1.00 19.44 C ATOM 687 NH1 ARG A 45 -13.360 -18.377 -5.568 1.00 21.91 N ATOM 688 NH2 ARG A 45 -14.575 -17.146 -7.082 1.00 21.42 N ATOM 689 HA ARG A 45 -17.590 -13.735 -3.700 1.00 0.00 H ATOM 690 HB2 ARG A 45 -16.464 -15.737 -2.547 1.00 0.00 H ATOM 691 HB3 ARG A 45 -18.085 -16.458 -2.411 1.00 0.00 H ATOM 692 HG2 ARG A 45 -17.302 -17.477 -4.309 1.00 0.00 H ATOM 693 HG3 ARG A 45 -18.140 -16.070 -5.004 1.00 0.00 H ATOM 694 HD2 ARG A 45 -15.716 -14.999 -4.519 1.00 0.00 H ATOM 695 HD3 ARG A 45 -16.181 -15.759 -6.059 1.00 0.00 H ATOM 696 HE ARG A 45 -14.730 -17.213 -3.851 1.00 0.00 H ATOM 697 HH12 ARG A 45 -12.837 -18.820 -6.350 1.00 0.00 H ATOM 698 HH11 ARG A 45 -13.138 -18.631 -4.584 1.00 0.00 H ATOM 699 HH22 ARG A 45 -14.052 -17.589 -7.864 1.00 0.00 H ATOM 700 HH21 ARG A 45 -15.306 -16.434 -7.282 1.00 0.00 H ATOM 701 H ARG A 45 -17.676 -14.419 -0.857 1.00 0.00 H ATOM 702 N ASN A 46 -19.823 -14.358 -4.644 1.00 11.38 N ATOM 703 CA ASN A 46 -21.172 -14.474 -5.192 1.00 12.00 C ATOM 704 C ASN A 46 -21.267 -15.624 -6.199 1.00 12.86 C ATOM 705 O ASN A 46 -20.252 -16.096 -6.716 1.00 12.76 O ATOM 706 CB ASN A 46 -21.550 -13.155 -5.863 1.00 11.92 C ATOM 707 CG ASN A 46 -21.300 -11.959 -4.968 1.00 11.58 C ATOM 708 OD1 ASN A 46 -21.890 -11.840 -3.894 1.00 14.80 O ATOM 709 ND2 ASN A 46 -20.412 -11.081 -5.391 1.00 12.23 N ATOM 710 HA ASN A 46 -21.864 -14.691 -4.378 1.00 0.00 H ATOM 711 HB2 ASN A 46 -20.959 -13.042 -6.772 1.00 0.00 H ATOM 712 HB3 ASN A 46 -22.609 -13.184 -6.121 1.00 0.00 H ATOM 713 HD22 ASN A 46 -19.937 -11.221 -6.306 1.00 0.00 H ATOM 714 HD21 ASN A 46 -20.186 -10.248 -4.810 1.00 0.00 H ATOM 715 H ASN A 46 -19.043 -14.134 -5.295 1.00 0.00 H ATOM 716 N THR A 47 -22.493 -16.050 -6.501 1.00 13.92 N ATOM 717 CA THR A 47 -22.715 -17.207 -7.386 1.00 14.87 C ATOM 718 C THR A 47 -22.196 -17.064 -8.816 1.00 15.17 C ATOM 719 O THR A 47 -21.787 -18.050 -9.418 1.00 15.84 O ATOM 720 CB THR A 47 -24.197 -17.642 -7.426 1.00 15.66 C ATOM 721 OG1 THR A 47 -25.012 -16.575 -7.917 1.00 17.46 O ATOM 722 CG2 THR A 47 -24.667 -18.006 -6.046 1.00 16.44 C ATOM 723 HA THR A 47 -22.107 -17.981 -6.918 1.00 0.00 H ATOM 724 HB THR A 47 -24.281 -18.505 -8.086 1.00 0.00 H ATOM 725 HG1 THR A 47 -24.920 -15.790 -7.321 1.00 0.00 H ATOM 726 HG23 THR A 47 -24.054 -18.820 -5.658 1.00 0.00 H ATOM 727 HG21 THR A 47 -24.578 -17.138 -5.392 1.00 0.00 H ATOM 728 HG22 THR A 47 -25.709 -18.323 -6.090 1.00 0.00 H ATOM 729 H THR A 47 -23.315 -15.553 -6.102 1.00 0.00 H ATOM 730 N ASP A 48 -22.204 -15.850 -9.357 1.00 14.09 N ATOM 731 CA ASP A 48 -21.717 -15.630 -10.715 1.00 14.20 C ATOM 732 C ASP A 48 -20.187 -15.685 -10.827 1.00 13.62 C ATOM 733 O ASP A 48 -19.632 -15.481 -11.916 1.00 14.69 O ATOM 734 CB ASP A 48 -22.273 -14.321 -11.284 1.00 14.11 C ATOM 735 CG ASP A 48 -21.814 -13.084 -10.511 1.00 13.17 C ATOM 736 OD1 ASP A 48 -21.023 -13.178 -9.536 1.00 12.60 O ATOM 737 OD2 ASP A 48 -22.247 -11.987 -10.900 1.00 12.85 O ATOM 738 HA ASP A 48 -22.089 -16.458 -11.318 1.00 0.00 H ATOM 739 HB2 ASP A 48 -21.943 -14.225 -12.319 1.00 0.00 H ATOM 740 HB3 ASP A 48 -23.362 -14.365 -11.253 1.00 0.00 H ATOM 741 H ASP A 48 -22.563 -15.045 -8.805 1.00 0.00 H ATOM 742 N GLY A 49 -19.505 -15.931 -9.700 1.00 13.00 N ATOM 743 CA GLY A 49 -18.052 -16.002 -9.676 1.00 12.19 C ATOM 744 C GLY A 49 -17.384 -14.695 -9.300 1.00 11.07 C ATOM 745 O GLY A 49 -16.161 -14.641 -9.178 1.00 11.94 O ATOM 746 HA3 GLY A 49 -17.705 -16.293 -10.667 1.00 0.00 H ATOM 747 HA2 GLY A 49 -17.756 -16.761 -8.951 1.00 0.00 H ATOM 748 H GLY A 49 -20.031 -16.076 -8.815 1.00 0.00 H ATOM 749 N SER A 50 -18.177 -13.636 -9.145 1.00 9.89 N ATOM 750 CA SER A 50 -17.664 -12.363 -8.667 1.00 8.71 C ATOM 751 C SER A 50 -17.485 -12.394 -7.153 1.00 8.16 C ATOM 752 O SER A 50 -17.951 -13.306 -6.469 1.00 8.10 O ATOM 753 CB SER A 50 -18.603 -11.216 -9.061 1.00 9.12 C ATOM 754 OG SER A 50 -19.794 -11.240 -8.289 1.00 9.22 O ATOM 755 HA SER A 50 -16.693 -12.193 -9.133 1.00 0.00 H ATOM 756 HB2 SER A 50 -18.860 -11.313 -10.116 1.00 0.00 H ATOM 757 HB3 SER A 50 -18.093 -10.267 -8.899 1.00 0.00 H ATOM 758 HG SER A 50 -20.264 -12.099 -8.436 1.00 0.00 H ATOM 759 H SER A 50 -19.188 -13.722 -9.372 1.00 0.00 H ATOM 760 N THR A 51 -16.811 -11.366 -6.648 1.00 7.34 N ATOM 761 CA THR A 51 -16.618 -11.143 -5.232 1.00 6.67 C ATOM 762 C THR A 51 -16.895 -9.667 -4.969 1.00 6.68 C ATOM 763 O THR A 51 -16.640 -8.815 -5.831 1.00 6.87 O ATOM 764 CB THR A 51 -15.176 -11.538 -4.829 1.00 6.86 C ATOM 765 OG1 THR A 51 -14.967 -12.914 -5.137 1.00 7.74 O ATOM 766 CG2 THR A 51 -14.886 -11.343 -3.351 1.00 7.83 C ATOM 767 HA THR A 51 -17.293 -11.755 -4.634 1.00 0.00 H ATOM 768 HB THR A 51 -14.508 -10.883 -5.388 1.00 0.00 H ATOM 769 HG1 THR A 51 -15.093 -13.056 -6.109 1.00 0.00 H ATOM 770 HG23 THR A 51 -15.038 -10.296 -3.087 1.00 0.00 H ATOM 771 HG21 THR A 51 -15.559 -11.969 -2.764 1.00 0.00 H ATOM 772 HG22 THR A 51 -13.853 -11.625 -3.144 1.00 0.00 H ATOM 773 H THR A 51 -16.397 -10.680 -7.311 1.00 0.00 H ATOM 774 N ASP A 52 -17.436 -9.394 -3.781 1.00 6.78 N ATOM 775 CA ASP A 52 -17.632 -8.029 -3.284 1.00 7.34 C ATOM 776 C ASP A 52 -16.484 -7.660 -2.349 1.00 7.25 C ATOM 777 O ASP A 52 -16.078 -8.465 -1.493 1.00 7.52 O ATOM 778 CB ASP A 52 -18.890 -7.933 -2.443 1.00 8.64 C ATOM 779 CG ASP A 52 -20.169 -8.043 -3.223 1.00 10.23 C ATOM 780 OD1 ASP A 52 -20.188 -8.147 -4.474 1.00 10.82 O ATOM 781 OD2 ASP A 52 -21.191 -7.978 -2.501 1.00 15.00 O ATOM 782 HA ASP A 52 -17.691 -7.373 -4.152 1.00 0.00 H ATOM 783 HB2 ASP A 52 -18.870 -8.736 -1.706 1.00 0.00 H ATOM 784 HB3 ASP A 52 -18.885 -6.971 -1.930 1.00 0.00 H ATOM 785 H ASP A 52 -17.733 -10.188 -3.178 1.00 0.00 H ATOM 786 N TYR A 53 -16.015 -6.420 -2.481 1.00 7.27 N ATOM 787 CA TYR A 53 -14.822 -5.959 -1.769 1.00 7.63 C ATOM 788 C TYR A 53 -15.021 -4.696 -0.964 1.00 7.72 C ATOM 789 O TYR A 53 -15.457 -3.677 -1.494 1.00 7.95 O ATOM 790 CB TYR A 53 -13.680 -5.703 -2.754 1.00 8.12 C ATOM 791 CG TYR A 53 -13.205 -6.963 -3.425 1.00 7.47 C ATOM 792 CD1 TYR A 53 -13.830 -7.444 -4.573 1.00 7.71 C ATOM 793 CD2 TYR A 53 -12.140 -7.698 -2.902 1.00 7.80 C ATOM 794 CE1 TYR A 53 -13.398 -8.610 -5.188 1.00 7.13 C ATOM 795 CE2 TYR A 53 -11.703 -8.867 -3.513 1.00 7.86 C ATOM 796 CZ TYR A 53 -12.337 -9.322 -4.653 1.00 7.13 C ATOM 797 OH TYR A 53 -11.918 -10.491 -5.235 1.00 7.13 O ATOM 798 HA TYR A 53 -14.588 -6.763 -1.071 1.00 0.00 H ATOM 799 HB3 TYR A 53 -12.845 -5.258 -2.213 1.00 0.00 H ATOM 800 HB2 TYR A 53 -14.027 -5.009 -3.519 1.00 0.00 H ATOM 801 HD2 TYR A 53 -11.642 -7.349 -1.998 1.00 0.00 H ATOM 802 HE2 TYR A 53 -10.864 -9.423 -3.095 1.00 0.00 H ATOM 803 HE1 TYR A 53 -13.893 -8.966 -6.092 1.00 0.00 H ATOM 804 HD1 TYR A 53 -14.672 -6.895 -4.995 1.00 0.00 H ATOM 805 HH TYR A 53 -12.470 -10.676 -6.036 1.00 0.00 H ATOM 806 H TYR A 53 -16.513 -5.758 -3.110 1.00 0.00 H ATOM 807 N GLY A 54 -14.643 -4.769 0.303 1.00 7.64 N ATOM 808 CA GLY A 54 -14.438 -3.581 1.098 1.00 8.00 C ATOM 809 C GLY A 54 -15.652 -3.032 1.801 1.00 7.89 C ATOM 810 O GLY A 54 -16.702 -3.658 1.885 1.00 7.98 O ATOM 811 HA3 GLY A 54 -14.055 -2.802 0.439 1.00 0.00 H ATOM 812 HA2 GLY A 54 -13.691 -3.813 1.857 1.00 0.00 H ATOM 813 H GLY A 54 -14.490 -5.703 0.735 1.00 0.00 H ATOM 814 N ILE A 55 -15.461 -1.821 2.306 1.00 8.78 N ATOM 815 CA ILE A 55 -16.400 -1.089 3.132 1.00 9.86 C ATOM 816 C ILE A 55 -17.774 -0.954 2.470 1.00 9.20 C ATOM 817 O ILE A 55 -18.804 -0.962 3.151 1.00 9.45 O ATOM 818 CB ILE A 55 -15.755 0.312 3.488 1.00 11.50 C ATOM 819 CG1 ILE A 55 -16.555 1.098 4.520 1.00 13.01 C ATOM 820 CG2 ILE A 55 -15.522 1.186 2.262 1.00 12.78 C ATOM 821 CD1 ILE A 55 -16.463 0.526 5.860 1.00 15.03 C ATOM 822 HA ILE A 55 -16.587 -1.643 4.052 1.00 0.00 H ATOM 823 HB ILE A 55 -14.789 0.059 3.925 1.00 0.00 H ATOM 824 HG12 ILE A 55 -16.177 2.120 4.550 1.00 0.00 H ATOM 825 HG13 ILE A 55 -17.602 1.108 4.216 1.00 0.00 H ATOM 826 HD11 ILE A 55 -16.847 -0.494 5.845 1.00 0.00 H ATOM 827 HD12 ILE A 55 -15.421 0.519 6.180 1.00 0.00 H ATOM 828 HD13 ILE A 55 -17.052 1.128 6.552 1.00 0.00 H ATOM 829 HG21 ILE A 55 -14.848 0.674 1.575 1.00 0.00 H ATOM 830 HG22 ILE A 55 -16.474 1.375 1.766 1.00 0.00 H ATOM 831 HG23 ILE A 55 -15.078 2.132 2.571 1.00 0.00 H ATOM 832 H ILE A 55 -14.557 -1.355 2.090 1.00 0.00 H ATOM 833 N LEU A 56 -17.778 -0.842 1.140 1.00 8.96 N ATOM 834 CA LEU A 56 -19.017 -0.714 0.378 1.00 9.14 C ATOM 835 C LEU A 56 -19.264 -1.894 -0.566 1.00 8.65 C ATOM 836 O LEU A 56 -20.095 -1.798 -1.471 1.00 9.48 O ATOM 837 CB LEU A 56 -19.063 0.625 -0.372 1.00 9.67 C ATOM 838 CG LEU A 56 -19.395 1.824 0.527 1.00 10.58 C ATOM 839 CD1 LEU A 56 -19.127 3.128 -0.212 1.00 12.15 C ATOM 840 CD2 LEU A 56 -20.840 1.777 1.036 1.00 11.49 C ATOM 841 HA LEU A 56 -19.832 -0.731 1.101 1.00 0.00 H ATOM 842 HB2 LEU A 56 -18.089 0.797 -0.830 1.00 0.00 H ATOM 843 HB3 LEU A 56 -19.822 0.558 -1.151 1.00 0.00 H ATOM 844 HG LEU A 56 -18.745 1.771 1.400 1.00 0.00 H ATOM 845 HD21 LEU A 56 -21.523 1.788 0.187 1.00 0.00 H ATOM 846 HD22 LEU A 56 -20.991 0.865 1.614 1.00 0.00 H ATOM 847 HD23 LEU A 56 -21.030 2.645 1.668 1.00 0.00 H ATOM 848 HD11 LEU A 56 -18.075 3.174 -0.495 1.00 0.00 H ATOM 849 HD12 LEU A 56 -19.747 3.171 -1.107 1.00 0.00 H ATOM 850 HD13 LEU A 56 -19.367 3.969 0.439 1.00 0.00 H ATOM 851 H LEU A 56 -16.871 -0.846 0.631 1.00 0.00 H ATOM 852 N GLN A 57 -18.570 -3.012 -0.336 1.00 8.51 N ATOM 853 CA GLN A 57 -18.850 -4.273 -1.029 1.00 8.27 C ATOM 854 C GLN A 57 -19.011 -4.108 -2.539 1.00 8.19 C ATOM 855 O GLN A 57 -20.018 -4.511 -3.156 1.00 9.26 O ATOM 856 CB GLN A 57 -20.051 -4.968 -0.395 1.00 8.44 C ATOM 857 CG GLN A 57 -19.747 -5.486 1.000 1.00 8.59 C ATOM 858 CD GLN A 57 -18.794 -6.661 0.991 1.00 7.94 C ATOM 859 OE1 GLN A 57 -19.213 -7.792 0.761 1.00 9.03 O ATOM 860 NE2 GLN A 57 -17.506 -6.403 1.218 1.00 8.76 N ATOM 861 HA GLN A 57 -17.976 -4.912 -0.904 1.00 0.00 H ATOM 862 HB2 GLN A 57 -20.875 -4.258 -0.334 1.00 0.00 H ATOM 863 HB3 GLN A 57 -20.343 -5.808 -1.025 1.00 0.00 H ATOM 864 HG2 GLN A 57 -19.301 -4.680 1.582 1.00 0.00 H ATOM 865 HG3 GLN A 57 -20.681 -5.797 1.468 1.00 0.00 H ATOM 866 HE22 GLN A 57 -17.197 -5.429 1.409 1.00 0.00 H ATOM 867 HE21 GLN A 57 -16.811 -7.176 1.204 1.00 0.00 H ATOM 868 H GLN A 57 -17.800 -2.987 0.363 1.00 0.00 H ATOM 869 N ILE A 58 -17.989 -3.498 -3.118 1.00 8.44 N ATOM 870 CA ILE A 58 -17.952 -3.204 -4.539 1.00 8.85 C ATOM 871 C ILE A 58 -17.669 -4.488 -5.347 1.00 8.48 C ATOM 872 O ILE A 58 -16.764 -5.262 -5.016 1.00 8.48 O ATOM 873 CB ILE A 58 -16.944 -2.079 -4.793 1.00 9.28 C ATOM 874 CG1 ILE A 58 -17.495 -0.766 -4.211 1.00 10.86 C ATOM 875 CG2 ILE A 58 -16.646 -1.932 -6.276 1.00 9.58 C ATOM 876 CD1 ILE A 58 -16.497 0.389 -4.139 1.00 12.28 C ATOM 877 HA ILE A 58 -18.923 -2.847 -4.883 1.00 0.00 H ATOM 878 HB ILE A 58 -16.005 -2.326 -4.299 1.00 0.00 H ATOM 879 HG12 ILE A 58 -18.333 -0.448 -4.831 1.00 0.00 H ATOM 880 HG13 ILE A 58 -17.849 -0.968 -3.200 1.00 0.00 H ATOM 881 HD11 ILE A 58 -15.655 0.101 -3.509 1.00 0.00 H ATOM 882 HD12 ILE A 58 -16.139 0.622 -5.142 1.00 0.00 H ATOM 883 HD13 ILE A 58 -16.987 1.265 -3.714 1.00 0.00 H ATOM 884 HG21 ILE A 58 -16.230 -2.865 -6.656 1.00 0.00 H ATOM 885 HG22 ILE A 58 -17.568 -1.700 -6.809 1.00 0.00 H ATOM 886 HG23 ILE A 58 -15.927 -1.126 -6.423 1.00 0.00 H ATOM 887 H ILE A 58 -17.178 -3.218 -2.530 1.00 0.00 H ATOM 888 N ASN A 59 -18.472 -4.713 -6.386 1.00 8.44 N ATOM 889 CA ASN A 59 -18.529 -5.994 -7.077 1.00 8.60 C ATOM 890 C ASN A 59 -17.556 -6.118 -8.247 1.00 8.33 C ATOM 891 O ASN A 59 -17.495 -5.235 -9.107 1.00 9.56 O ATOM 892 CB ASN A 59 -19.958 -6.234 -7.561 1.00 9.33 C ATOM 893 CG ASN A 59 -20.149 -7.612 -8.127 1.00 9.58 C ATOM 894 OD1 ASN A 59 -20.096 -7.803 -9.339 1.00 10.39 O ATOM 895 ND2 ASN A 59 -20.352 -8.588 -7.254 1.00 10.69 N ATOM 896 HA ASN A 59 -18.223 -6.753 -6.357 1.00 0.00 H ATOM 897 HB2 ASN A 59 -20.639 -6.104 -6.720 1.00 0.00 H ATOM 898 HB3 ASN A 59 -20.193 -5.502 -8.334 1.00 0.00 H ATOM 899 HD22 ASN A 59 -20.389 -8.376 -6.236 1.00 0.00 H ATOM 900 HD21 ASN A 59 -20.474 -9.566 -7.586 1.00 0.00 H ATOM 901 H ASN A 59 -19.084 -3.941 -6.718 1.00 0.00 H ATOM 902 N SER A 60 -16.850 -7.249 -8.298 1.00 8.16 N ATOM 903 CA SER A 60 -15.799 -7.493 -9.288 1.00 8.34 C ATOM 904 C SER A 60 -16.284 -7.866 -10.696 1.00 9.29 C ATOM 905 O SER A 60 -15.469 -7.986 -11.603 1.00 11.09 O ATOM 906 CB SER A 60 -14.868 -8.586 -8.791 1.00 8.32 C ATOM 907 OG SER A 60 -15.557 -9.816 -8.735 1.00 8.05 O ATOM 908 HA SER A 60 -15.292 -6.534 -9.392 1.00 0.00 H ATOM 909 HB2 SER A 60 -14.507 -8.328 -7.795 1.00 0.00 H ATOM 910 HB3 SER A 60 -14.021 -8.677 -9.471 1.00 0.00 H ATOM 911 HG SER A 60 -14.944 -10.522 -8.410 1.00 0.00 H ATOM 912 H SER A 60 -17.056 -7.993 -7.601 1.00 0.00 H ATOM 913 N ARG A 61 -17.578 -8.086 -10.892 1.00 9.45 N ATOM 914 CA ARG A 61 -18.093 -8.267 -12.254 1.00 10.33 C ATOM 915 C ARG A 61 -18.148 -6.937 -13.003 1.00 10.14 C ATOM 916 O ARG A 61 -18.017 -6.890 -14.230 1.00 11.22 O ATOM 917 CB ARG A 61 -19.463 -8.951 -12.222 1.00 11.01 C ATOM 918 CG ARG A 61 -20.311 -8.893 -13.479 1.00 13.34 C ATOM 919 CD ARG A 61 -19.740 -9.700 -14.619 1.00 15.23 C ATOM 920 NE ARG A 61 -20.681 -9.703 -15.739 1.00 15.94 N ATOM 921 CZ ARG A 61 -20.917 -8.659 -16.535 1.00 16.30 C ATOM 922 NH1 ARG A 61 -20.269 -7.508 -16.367 1.00 15.79 N ATOM 923 NH2 ARG A 61 -21.806 -8.764 -17.515 1.00 17.37 N ATOM 924 HA ARG A 61 -17.406 -8.916 -12.798 1.00 0.00 H ATOM 925 HB2 ARG A 61 -19.296 -10.003 -11.990 1.00 0.00 H ATOM 926 HB3 ARG A 61 -20.039 -8.490 -11.419 1.00 0.00 H ATOM 927 HG2 ARG A 61 -21.304 -9.277 -13.245 1.00 0.00 H ATOM 928 HG3 ARG A 61 -20.390 -7.853 -13.796 1.00 0.00 H ATOM 929 HD2 ARG A 61 -19.567 -10.724 -14.288 1.00 0.00 H ATOM 930 HD3 ARG A 61 -18.796 -9.259 -14.939 1.00 0.00 H ATOM 931 HE ARG A 61 -21.203 -10.582 -15.928 1.00 0.00 H ATOM 932 HH12 ARG A 61 -20.465 -6.704 -16.997 1.00 0.00 H ATOM 933 HH11 ARG A 61 -19.567 -7.413 -15.606 1.00 0.00 H ATOM 934 HH22 ARG A 61 -21.992 -7.952 -18.137 1.00 0.00 H ATOM 935 HH21 ARG A 61 -22.316 -9.658 -17.661 1.00 0.00 H ATOM 936 H ARG A 61 -18.227 -8.130 -10.080 1.00 0.00 H ATOM 937 N TRP A 62 -18.339 -5.855 -12.259 1.00 9.61 N ATOM 938 CA TRP A 62 -18.558 -4.542 -12.854 1.00 9.84 C ATOM 939 C TRP A 62 -17.425 -3.545 -12.638 1.00 9.39 C ATOM 940 O TRP A 62 -17.042 -2.839 -13.567 1.00 10.29 O ATOM 941 CB TRP A 62 -19.885 -3.946 -12.358 1.00 10.06 C ATOM 942 CG TRP A 62 -21.053 -4.759 -12.771 1.00 10.67 C ATOM 943 CD1 TRP A 62 -21.723 -5.684 -12.022 1.00 11.45 C ATOM 944 CD2 TRP A 62 -21.664 -4.767 -14.060 1.00 11.62 C ATOM 945 NE1 TRP A 62 -22.722 -6.262 -12.766 1.00 12.95 N ATOM 946 CE2 TRP A 62 -22.712 -5.710 -14.020 1.00 12.35 C ATOM 947 CE3 TRP A 62 -21.434 -4.059 -15.247 1.00 13.35 C ATOM 948 CZ2 TRP A 62 -23.534 -5.963 -15.122 1.00 13.69 C ATOM 949 CZ3 TRP A 62 -22.252 -4.308 -16.339 1.00 13.99 C ATOM 950 CH2 TRP A 62 -23.284 -5.256 -16.269 1.00 14.77 C ATOM 951 HA TRP A 62 -18.595 -4.716 -13.929 1.00 0.00 H ATOM 952 HB2 TRP A 62 -19.861 -3.893 -11.270 1.00 0.00 H ATOM 953 HB3 TRP A 62 -19.994 -2.942 -12.767 1.00 0.00 H ATOM 954 HE1 TRP A 62 -23.378 -6.997 -12.433 1.00 0.00 H ATOM 955 HD1 TRP A 62 -21.497 -5.928 -10.984 1.00 0.00 H ATOM 956 HZ2 TRP A 62 -24.341 -6.693 -15.071 1.00 0.00 H ATOM 957 HH2 TRP A 62 -23.902 -5.435 -17.149 1.00 0.00 H ATOM 958 HZ3 TRP A 62 -22.091 -3.758 -17.266 1.00 0.00 H ATOM 959 HE3 TRP A 62 -20.629 -3.327 -15.311 1.00 0.00 H ATOM 960 H TRP A 62 -18.332 -5.946 -11.223 1.00 0.00 H ATOM 961 N TRP A 63 -16.892 -3.482 -11.417 1.00 9.14 N ATOM 962 CA TRP A 63 -16.206 -2.262 -10.971 1.00 9.39 C ATOM 963 C TRP A 63 -14.706 -2.351 -10.761 1.00 9.58 C ATOM 964 O TRP A 63 -14.000 -1.368 -10.947 1.00 9.92 O ATOM 965 CB TRP A 63 -16.877 -1.693 -9.711 1.00 9.29 C ATOM 966 CG TRP A 63 -18.337 -1.478 -9.916 1.00 9.19 C ATOM 967 CD1 TRP A 63 -19.360 -2.210 -9.393 1.00 9.43 C ATOM 968 CD2 TRP A 63 -18.944 -0.510 -10.781 1.00 10.57 C ATOM 969 NE1 TRP A 63 -20.571 -1.743 -9.858 1.00 10.51 N ATOM 970 CE2 TRP A 63 -20.341 -0.698 -10.710 1.00 10.65 C ATOM 971 CE3 TRP A 63 -18.444 0.524 -11.578 1.00 11.36 C ATOM 972 CZ2 TRP A 63 -21.243 0.102 -11.420 1.00 11.55 C ATOM 973 CZ3 TRP A 63 -19.343 1.311 -12.289 1.00 12.27 C ATOM 974 CH2 TRP A 63 -20.723 1.093 -12.200 1.00 12.41 C ATOM 975 HA TRP A 63 -16.316 -1.588 -11.821 1.00 0.00 H ATOM 976 HB2 TRP A 63 -16.734 -2.393 -8.887 1.00 0.00 H ATOM 977 HB3 TRP A 63 -16.411 -0.740 -9.461 1.00 0.00 H ATOM 978 HE1 TRP A 63 -21.505 -2.123 -9.603 1.00 0.00 H ATOM 979 HD1 TRP A 63 -19.238 -3.046 -8.705 1.00 0.00 H ATOM 980 HZ2 TRP A 63 -22.319 -0.060 -11.353 1.00 0.00 H ATOM 981 HH2 TRP A 63 -21.399 1.731 -12.768 1.00 0.00 H ATOM 982 HZ3 TRP A 63 -18.967 2.111 -12.926 1.00 0.00 H ATOM 983 HE3 TRP A 63 -17.372 0.709 -11.641 1.00 0.00 H ATOM 984 H TRP A 63 -16.962 -4.300 -10.778 1.00 0.00 H ATOM 985 N CYS A 64 -14.219 -3.516 -10.355 1.00 9.93 N ATOM 986 CA CYS A 64 -12.799 -3.664 -10.052 1.00 9.74 C ATOM 987 C CYS A 64 -12.285 -4.982 -10.601 1.00 9.63 C ATOM 988 O CYS A 64 -13.076 -5.891 -10.876 1.00 9.99 O ATOM 989 CB CYS A 64 -12.539 -3.556 -8.546 1.00 9.63 C ATOM 990 SG CYS A 64 -13.312 -4.840 -7.517 1.00 9.29 S ATOM 991 HA CYS A 64 -12.257 -2.851 -10.535 1.00 0.00 H ATOM 992 HB2 CYS A 64 -12.912 -2.588 -8.210 1.00 0.00 H ATOM 993 HB3 CYS A 64 -11.462 -3.604 -8.388 1.00 0.00 H ATOM 994 HG CYS A 64 -14.165 -4.825 -8.601 1.00 0.00 H ATOM 995 H CYS A 64 -14.855 -4.332 -10.252 1.00 0.00 H ATOM 996 N ASN A 65 -10.965 -5.086 -10.758 1.00 9.90 N ATOM 997 CA ASN A 65 -10.356 -6.319 -11.230 1.00 10.07 C ATOM 998 C ASN A 65 -9.774 -7.180 -10.118 1.00 9.19 C ATOM 999 O ASN A 65 -8.898 -6.728 -9.379 1.00 9.62 O ATOM 1000 CB ASN A 65 -9.254 -6.032 -12.234 1.00 11.00 C ATOM 1001 CG ASN A 65 -8.586 -7.297 -12.677 1.00 12.58 C ATOM 1002 OD1 ASN A 65 -9.244 -8.203 -13.182 1.00 13.29 O ATOM 1003 ND2 ASN A 65 -7.296 -7.419 -12.393 1.00 15.85 N ATOM 1004 HA ASN A 65 -11.170 -6.875 -11.695 1.00 0.00 H ATOM 1005 HB2 ASN A 65 -9.684 -5.533 -13.102 1.00 0.00 H ATOM 1006 HB3 ASN A 65 -8.512 -5.380 -11.772 1.00 0.00 H ATOM 1007 HD22 ASN A 65 -6.780 -6.624 -11.965 1.00 0.00 H ATOM 1008 HD21 ASN A 65 -6.800 -8.310 -12.598 1.00 0.00 H ATOM 1009 H ASN A 65 -10.359 -4.269 -10.539 1.00 0.00 H ATOM 1010 N ASP A 66 -10.245 -8.420 -10.027 1.00 9.10 N ATOM 1011 CA ASP A 66 -9.635 -9.391 -9.109 1.00 8.92 C ATOM 1012 C ASP A 66 -8.959 -10.564 -9.812 1.00 9.22 C ATOM 1013 O ASP A 66 -8.462 -11.476 -9.150 1.00 9.99 O ATOM 1014 CB ASP A 66 -10.602 -9.868 -8.011 1.00 8.57 C ATOM 1015 CG ASP A 66 -11.742 -10.743 -8.522 1.00 7.87 C ATOM 1016 OD1 ASP A 66 -11.760 -11.150 -9.707 1.00 8.51 O ATOM 1017 OD2 ASP A 66 -12.639 -11.031 -7.689 1.00 7.79 O ATOM 1018 HA ASP A 66 -8.838 -8.836 -8.615 1.00 0.00 H ATOM 1019 HB2 ASP A 66 -10.033 -10.440 -7.278 1.00 0.00 H ATOM 1020 HB3 ASP A 66 -11.033 -8.990 -7.529 1.00 0.00 H ATOM 1021 H ASP A 66 -11.055 -8.706 -10.613 1.00 0.00 H ATOM 1022 N GLY A 67 -8.948 -10.529 -11.146 1.00 9.69 N ATOM 1023 CA GLY A 67 -8.290 -11.551 -11.950 1.00 10.71 C ATOM 1024 C GLY A 67 -8.973 -12.898 -12.021 1.00 10.56 C ATOM 1025 O GLY A 67 -8.452 -13.797 -12.670 1.00 11.73 O ATOM 1026 HA3 GLY A 67 -7.293 -11.706 -11.537 1.00 0.00 H ATOM 1027 HA2 GLY A 67 -8.205 -11.169 -12.967 1.00 0.00 H ATOM 1028 H GLY A 67 -9.427 -9.743 -11.630 1.00 0.00 H ATOM 1029 N ARG A 68 -10.127 -13.064 -11.381 1.00 10.04 N ATOM 1030 CA ARG A 68 -10.792 -14.371 -11.374 1.00 9.91 C ATOM 1031 C ARG A 68 -12.283 -14.315 -11.691 1.00 9.85 C ATOM 1032 O ARG A 68 -12.989 -15.313 -11.534 1.00 10.75 O ATOM 1033 CB ARG A 68 -10.552 -15.116 -10.052 1.00 9.54 C ATOM 1034 CG ARG A 68 -11.261 -14.484 -8.872 1.00 9.49 C ATOM 1035 CD ARG A 68 -11.105 -15.305 -7.616 1.00 9.48 C ATOM 1036 NE ARG A 68 -12.009 -14.832 -6.573 1.00 8.79 N ATOM 1037 CZ ARG A 68 -11.950 -15.215 -5.302 1.00 8.30 C ATOM 1038 NH1 ARG A 68 -11.029 -16.079 -4.901 1.00 9.23 N ATOM 1039 NH2 ARG A 68 -12.822 -14.733 -4.421 1.00 8.93 N ATOM 1040 HA ARG A 68 -10.330 -14.928 -12.189 1.00 0.00 H ATOM 1041 HB2 ARG A 68 -10.908 -16.140 -10.162 1.00 0.00 H ATOM 1042 HB3 ARG A 68 -9.481 -15.125 -9.849 1.00 0.00 H ATOM 1043 HG2 ARG A 68 -10.843 -13.492 -8.699 1.00 0.00 H ATOM 1044 HG3 ARG A 68 -12.322 -14.394 -9.105 1.00 0.00 H ATOM 1045 HD2 ARG A 68 -10.077 -15.225 -7.262 1.00 0.00 H ATOM 1046 HD3 ARG A 68 -11.331 -16.348 -7.840 1.00 0.00 H ATOM 1047 HE ARG A 68 -12.748 -14.151 -6.842 1.00 0.00 H ATOM 1048 HH12 ARG A 68 -10.991 -16.373 -3.904 1.00 0.00 H ATOM 1049 HH11 ARG A 68 -10.344 -16.463 -5.583 1.00 0.00 H ATOM 1050 HH22 ARG A 68 -12.776 -15.033 -3.426 1.00 0.00 H ATOM 1051 HH21 ARG A 68 -13.550 -14.056 -4.727 1.00 0.00 H ATOM 1052 H ARG A 68 -10.561 -12.261 -10.882 1.00 0.00 H ATOM 1053 N THR A 69 -12.766 -13.156 -12.130 1.00 9.43 N ATOM 1054 CA THR A 69 -14.193 -12.960 -12.342 1.00 9.55 C ATOM 1055 C THR A 69 -14.514 -12.954 -13.832 1.00 10.64 C ATOM 1056 O THR A 69 -14.096 -12.046 -14.554 1.00 10.76 O ATOM 1057 CB THR A 69 -14.675 -11.643 -11.727 1.00 8.79 C ATOM 1058 OG1 THR A 69 -14.346 -11.628 -10.334 1.00 8.59 O ATOM 1059 CG2 THR A 69 -16.181 -11.503 -11.893 1.00 9.58 C ATOM 1060 HA THR A 69 -14.709 -13.787 -11.854 1.00 0.00 H ATOM 1061 HB THR A 69 -14.186 -10.811 -12.235 1.00 0.00 H ATOM 1062 HG1 THR A 69 -14.656 -10.778 -9.932 1.00 0.00 H ATOM 1063 HG23 THR A 69 -16.431 -11.514 -12.954 1.00 0.00 H ATOM 1064 HG21 THR A 69 -16.679 -12.333 -11.392 1.00 0.00 H ATOM 1065 HG22 THR A 69 -16.508 -10.562 -11.452 1.00 0.00 H ATOM 1066 H THR A 69 -12.110 -12.373 -12.326 1.00 0.00 H ATOM 1067 N PRO A 70 -15.262 -13.963 -14.308 1.00 11.83 N ATOM 1068 CA PRO A 70 -15.652 -13.945 -15.719 1.00 12.68 C ATOM 1069 C PRO A 70 -16.512 -12.726 -16.059 1.00 12.43 C ATOM 1070 O PRO A 70 -17.347 -12.301 -15.253 1.00 12.95 O ATOM 1071 CB PRO A 70 -16.432 -15.250 -15.884 1.00 14.10 C ATOM 1072 CG PRO A 70 -15.855 -16.147 -14.840 1.00 14.08 C ATOM 1073 CD PRO A 70 -15.616 -15.238 -13.662 1.00 13.04 C ATOM 1074 HA PRO A 70 -14.797 -13.872 -16.391 1.00 0.00 H ATOM 1075 HD3 PRO A 70 -16.515 -15.136 -13.055 1.00 0.00 H ATOM 1076 HD2 PRO A 70 -14.799 -15.605 -13.041 1.00 0.00 H ATOM 1077 HG3 PRO A 70 -14.920 -16.589 -15.184 1.00 0.00 H ATOM 1078 HG2 PRO A 70 -16.556 -16.940 -14.581 1.00 0.00 H ATOM 1079 HB2 PRO A 70 -17.497 -15.090 -15.713 1.00 0.00 H ATOM 1080 HB3 PRO A 70 -16.284 -15.668 -16.880 1.00 0.00 H ATOM 1081 N GLY A 71 -16.259 -12.147 -17.228 1.00 12.59 N ATOM 1082 CA GLY A 71 -17.032 -11.022 -17.727 1.00 12.98 C ATOM 1083 C GLY A 71 -16.745 -9.695 -17.053 1.00 12.89 C ATOM 1084 O GLY A 71 -17.507 -8.745 -17.218 1.00 13.24 O ATOM 1085 HA3 GLY A 71 -18.089 -11.250 -17.588 1.00 0.00 H ATOM 1086 HA2 GLY A 71 -16.822 -10.913 -18.791 1.00 0.00 H ATOM 1087 H GLY A 71 -15.477 -12.513 -17.808 1.00 0.00 H ATOM 1088 N SER A 72 -15.642 -9.611 -16.313 1.00 13.18 N ATOM 1089 CA SER A 72 -15.328 -8.415 -15.528 1.00 13.18 C ATOM 1090 C SER A 72 -15.033 -7.175 -16.376 1.00 13.13 C ATOM 1091 O SER A 72 -14.210 -7.211 -17.296 1.00 13.28 O ATOM 1092 CB SER A 72 -14.154 -8.692 -14.602 1.00 13.37 C ATOM 1093 OG SER A 72 -13.024 -9.066 -15.360 1.00 14.07 O ATOM 1094 HA SER A 72 -16.226 -8.189 -14.953 1.00 0.00 H ATOM 1095 HB2 SER A 72 -14.415 -9.500 -13.918 1.00 0.00 H ATOM 1096 HB3 SER A 72 -13.925 -7.793 -14.030 1.00 0.00 H ATOM 1097 HG SER A 72 -13.232 -9.883 -15.879 1.00 0.00 H ATOM 1098 H SER A 72 -14.985 -10.417 -16.292 1.00 0.00 H ATOM 1099 N ARG A 73 -15.694 -6.075 -16.024 1.00 13.00 N ATOM 1100 CA ARG A 73 -15.618 -4.819 -16.777 1.00 13.00 C ATOM 1101 C ARG A 73 -14.620 -3.809 -16.199 1.00 12.73 C ATOM 1102 O ARG A 73 -14.187 -2.900 -16.908 1.00 13.68 O ATOM 1103 CB ARG A 73 -17.008 -4.183 -16.896 1.00 12.90 C ATOM 1104 CG ARG A 73 -17.984 -4.982 -17.748 1.00 14.32 C ATOM 1105 CD ARG A 73 -17.695 -4.832 -19.249 1.00 16.71 C ATOM 1106 NE ARG A 73 -17.801 -3.442 -19.698 1.00 18.43 N ATOM 1107 CZ ARG A 73 -18.947 -2.819 -19.962 1.00 19.47 C ATOM 1108 NH1 ARG A 73 -20.106 -3.456 -19.832 1.00 20.37 N ATOM 1109 NH2 ARG A 73 -18.933 -1.550 -20.355 1.00 20.54 N ATOM 1110 HA ARG A 73 -15.244 -5.083 -17.766 1.00 0.00 H ATOM 1111 HB2 ARG A 73 -17.427 -4.085 -15.895 1.00 0.00 H ATOM 1112 HB3 ARG A 73 -16.896 -3.194 -17.340 1.00 0.00 H ATOM 1113 HG2 ARG A 73 -17.907 -6.035 -17.478 1.00 0.00 H ATOM 1114 HG3 ARG A 73 -18.996 -4.630 -17.547 1.00 0.00 H ATOM 1115 HD2 ARG A 73 -18.411 -5.437 -19.806 1.00 0.00 H ATOM 1116 HD3 ARG A 73 -16.685 -5.190 -19.450 1.00 0.00 H ATOM 1117 HE ARG A 73 -16.919 -2.904 -19.819 1.00 0.00 H ATOM 1118 HH12 ARG A 73 -20.997 -2.962 -20.040 1.00 0.00 H ATOM 1119 HH11 ARG A 73 -20.122 -4.449 -19.522 1.00 0.00 H ATOM 1120 HH22 ARG A 73 -19.827 -1.060 -20.562 1.00 0.00 H ATOM 1121 HH21 ARG A 73 -18.028 -1.047 -20.455 1.00 0.00 H ATOM 1122 H ARG A 73 -16.293 -6.108 -15.174 1.00 0.00 H ATOM 1123 N ASN A 74 -14.269 -3.958 -14.920 1.00 12.32 N ATOM 1124 CA ASN A 74 -13.327 -3.055 -14.238 1.00 12.08 C ATOM 1125 C ASN A 74 -13.600 -1.576 -14.525 1.00 11.91 C ATOM 1126 O ASN A 74 -12.697 -0.819 -14.897 1.00 12.20 O ATOM 1127 CB ASN A 74 -11.864 -3.423 -14.558 1.00 12.44 C ATOM 1128 CG ASN A 74 -10.868 -2.746 -13.621 1.00 12.30 C ATOM 1129 OD1 ASN A 74 -11.243 -2.194 -12.588 1.00 12.50 O ATOM 1130 ND2 ASN A 74 -9.590 -2.804 -13.977 1.00 13.49 N ATOM 1131 HA ASN A 74 -13.490 -3.197 -13.170 1.00 0.00 H ATOM 1132 HB2 ASN A 74 -11.748 -4.503 -14.469 1.00 0.00 H ATOM 1133 HB3 ASN A 74 -11.643 -3.118 -15.581 1.00 0.00 H ATOM 1134 HD22 ASN A 74 -9.317 -3.281 -14.860 1.00 0.00 H ATOM 1135 HD21 ASN A 74 -8.862 -2.372 -13.373 1.00 0.00 H ATOM 1136 H ASN A 74 -14.679 -4.747 -14.381 1.00 0.00 H ATOM 1137 N LEU A 75 -14.848 -1.160 -14.319 1.00 11.47 N ATOM 1138 CA LEU A 75 -15.260 0.194 -14.696 1.00 11.88 C ATOM 1139 C LEU A 75 -14.621 1.279 -13.829 1.00 12.05 C ATOM 1140 O LEU A 75 -14.520 2.427 -14.265 1.00 13.31 O ATOM 1141 CB LEU A 75 -16.789 0.325 -14.737 1.00 12.30 C ATOM 1142 CG LEU A 75 -17.489 -0.472 -15.841 1.00 13.30 C ATOM 1143 CD1 LEU A 75 -18.987 -0.586 -15.575 1.00 14.91 C ATOM 1144 CD2 LEU A 75 -17.219 0.113 -17.217 1.00 14.95 C ATOM 1145 HA LEU A 75 -14.884 0.358 -15.706 1.00 0.00 H ATOM 1146 HB2 LEU A 75 -17.181 -0.013 -13.778 1.00 0.00 H ATOM 1147 HB3 LEU A 75 -17.033 1.378 -14.877 1.00 0.00 H ATOM 1148 HG LEU A 75 -17.069 -1.478 -15.829 1.00 0.00 H ATOM 1149 HD21 LEU A 75 -17.583 1.140 -17.252 1.00 0.00 H ATOM 1150 HD22 LEU A 75 -16.147 0.100 -17.412 1.00 0.00 H ATOM 1151 HD23 LEU A 75 -17.734 -0.482 -17.971 1.00 0.00 H ATOM 1152 HD11 LEU A 75 -19.148 -1.093 -14.624 1.00 0.00 H ATOM 1153 HD12 LEU A 75 -19.425 0.412 -15.535 1.00 0.00 H ATOM 1154 HD13 LEU A 75 -19.455 -1.157 -16.377 1.00 0.00 H ATOM 1155 H LEU A 75 -15.539 -1.805 -13.885 1.00 0.00 H ATOM 1156 N CYS A 76 -14.180 0.924 -12.617 1.00 11.76 N ATOM 1157 CA CYS A 76 -13.428 1.866 -11.776 1.00 11.89 C ATOM 1158 C CYS A 76 -11.924 1.843 -12.041 1.00 12.34 C ATOM 1159 O CYS A 76 -11.182 2.630 -11.450 1.00 12.70 O ATOM 1160 CB CYS A 76 -13.707 1.638 -10.290 1.00 11.70 C ATOM 1161 SG CYS A 76 -15.381 2.080 -9.867 1.00 11.75 S ATOM 1162 HA CYS A 76 -13.786 2.857 -12.054 1.00 0.00 H ATOM 1163 HB2 CYS A 76 -13.020 2.247 -9.702 1.00 0.00 H ATOM 1164 HB3 CYS A 76 -13.548 0.585 -10.057 1.00 0.00 H ATOM 1165 HG CYS A 76 -15.899 1.141 -10.736 1.00 0.00 H ATOM 1166 H CYS A 76 -14.373 -0.035 -12.264 1.00 0.00 H ATOM 1167 N ASN A 77 -11.485 0.950 -12.929 1.00 12.71 N ATOM 1168 CA ASN A 77 -10.074 0.842 -13.320 1.00 13.79 C ATOM 1169 C ASN A 77 -9.137 0.714 -12.115 1.00 13.72 C ATOM 1170 O ASN A 77 -8.212 1.505 -11.934 1.00 14.36 O ATOM 1171 CB ASN A 77 -9.670 2.026 -14.215 1.00 14.97 C ATOM 1172 CG ASN A 77 -8.331 1.815 -14.907 1.00 17.61 C ATOM 1173 OD1 ASN A 77 -7.984 0.697 -15.300 1.00 20.71 O ATOM 1174 ND2 ASN A 77 -7.576 2.900 -15.072 1.00 19.92 N ATOM 1175 HA ASN A 77 -9.969 -0.080 -13.892 1.00 0.00 H ATOM 1176 HB2 ASN A 77 -10.437 2.165 -14.977 1.00 0.00 H ATOM 1177 HB3 ASN A 77 -9.606 2.923 -13.598 1.00 0.00 H ATOM 1178 HD22 ASN A 77 -7.908 3.822 -14.725 1.00 0.00 H ATOM 1179 HD21 ASN A 77 -6.654 2.825 -15.548 1.00 0.00 H ATOM 1180 H ASN A 77 -12.172 0.302 -13.364 1.00 0.00 H ATOM 1181 N ILE A 78 -9.381 -0.301 -11.294 1.00 13.37 N ATOM 1182 CA ILE A 78 -8.652 -0.459 -10.042 1.00 13.34 C ATOM 1183 C ILE A 78 -8.615 -1.944 -9.649 1.00 12.35 C ATOM 1184 O ILE A 78 -9.590 -2.664 -9.887 1.00 11.88 O ATOM 1185 CB ILE A 78 -9.336 0.401 -8.923 1.00 14.05 C ATOM 1186 CG1 ILE A 78 -8.450 0.583 -7.689 1.00 16.03 C ATOM 1187 CG2 ILE A 78 -10.719 -0.119 -8.570 1.00 13.97 C ATOM 1188 CD1 ILE A 78 -7.664 1.873 -7.682 1.00 18.63 C ATOM 1189 HA ILE A 78 -7.627 -0.111 -10.166 1.00 0.00 H ATOM 1190 HB ILE A 78 -9.471 1.398 -9.343 1.00 0.00 H ATOM 1191 HG12 ILE A 78 -9.086 0.564 -6.804 1.00 0.00 H ATOM 1192 HG13 ILE A 78 -7.746 -0.248 -7.647 1.00 0.00 H ATOM 1193 HD11 ILE A 78 -7.012 1.904 -8.555 1.00 0.00 H ATOM 1194 HD12 ILE A 78 -8.353 2.717 -7.711 1.00 0.00 H ATOM 1195 HD13 ILE A 78 -7.062 1.925 -6.775 1.00 0.00 H ATOM 1196 HG21 ILE A 78 -11.353 -0.092 -9.456 1.00 0.00 H ATOM 1197 HG22 ILE A 78 -10.639 -1.145 -8.210 1.00 0.00 H ATOM 1198 HG23 ILE A 78 -11.154 0.508 -7.791 1.00 0.00 H ATOM 1199 H ILE A 78 -10.109 -0.999 -11.550 1.00 0.00 H ATOM 1200 N PRO A 79 -7.497 -2.405 -9.050 1.00 11.89 N ATOM 1201 CA PRO A 79 -7.531 -3.763 -8.521 1.00 11.31 C ATOM 1202 C PRO A 79 -8.461 -3.811 -7.316 1.00 10.40 C ATOM 1203 O PRO A 79 -8.494 -2.869 -6.523 1.00 10.75 O ATOM 1204 CB PRO A 79 -6.080 -4.019 -8.106 1.00 11.58 C ATOM 1205 CG PRO A 79 -5.517 -2.668 -7.844 1.00 12.03 C ATOM 1206 CD PRO A 79 -6.209 -1.734 -8.783 1.00 12.01 C ATOM 1207 HA PRO A 79 -7.896 -4.506 -9.230 1.00 0.00 H ATOM 1208 HD3 PRO A 79 -6.365 -0.760 -8.319 1.00 0.00 H ATOM 1209 HD2 PRO A 79 -5.636 -1.610 -9.702 1.00 0.00 H ATOM 1210 HG3 PRO A 79 -4.443 -2.664 -8.031 1.00 0.00 H ATOM 1211 HG2 PRO A 79 -5.706 -2.374 -6.812 1.00 0.00 H ATOM 1212 HB2 PRO A 79 -6.040 -4.633 -7.206 1.00 0.00 H ATOM 1213 HB3 PRO A 79 -5.533 -4.515 -8.908 1.00 0.00 H ATOM 1214 N CYS A 80 -9.220 -4.894 -7.193 1.00 9.99 N ATOM 1215 CA CYS A 80 -10.181 -5.036 -6.102 1.00 9.44 C ATOM 1216 C CYS A 80 -9.522 -4.936 -4.734 1.00 9.43 C ATOM 1217 O CYS A 80 -10.122 -4.419 -3.795 1.00 9.61 O ATOM 1218 CB CYS A 80 -10.962 -6.337 -6.219 1.00 9.27 C ATOM 1219 SG CYS A 80 -12.018 -6.428 -7.688 1.00 8.62 S ATOM 1220 HA CYS A 80 -10.877 -4.202 -6.193 1.00 0.00 H ATOM 1221 HB2 CYS A 80 -11.592 -6.440 -5.336 1.00 0.00 H ATOM 1222 HB3 CYS A 80 -10.251 -7.163 -6.255 1.00 0.00 H ATOM 1223 HG CYS A 80 -11.922 -6.801 -9.013 1.00 0.00 H ATOM 1224 H CYS A 80 -9.128 -5.660 -7.891 1.00 0.00 H ATOM 1225 N SER A 81 -8.277 -5.397 -4.627 1.00 10.42 N ATOM 1226 CA SER A 81 -7.563 -5.315 -3.359 1.00 11.77 C ATOM 1227 C SER A 81 -7.377 -3.872 -2.864 1.00 12.25 C ATOM 1228 O SER A 81 -7.302 -3.645 -1.661 1.00 12.72 O ATOM 1229 CB SER A 81 -6.222 -6.048 -3.435 1.00 12.67 C ATOM 1230 OG SER A 81 -5.369 -5.407 -4.359 1.00 15.20 O ATOM 1231 HA SER A 81 -8.190 -5.814 -2.620 1.00 0.00 H ATOM 1232 HB2 SER A 81 -6.391 -7.077 -3.754 1.00 0.00 H ATOM 1233 HB3 SER A 81 -5.754 -6.046 -2.451 1.00 0.00 H ATOM 1234 HG SER A 81 -5.213 -4.473 -4.070 1.00 0.00 H ATOM 1235 H SER A 81 -7.810 -5.819 -5.455 1.00 0.00 H ATOM 1236 N ALA A 82 -7.337 -2.894 -3.772 1.00 12.79 N ATOM 1237 CA ALA A 82 -7.230 -1.476 -3.375 1.00 13.68 C ATOM 1238 C ALA A 82 -8.469 -1.011 -2.621 1.00 13.63 C ATOM 1239 O ALA A 82 -8.444 -0.013 -1.881 1.00 14.37 O ATOM 1240 CB ALA A 82 -6.986 -0.600 -4.583 1.00 14.64 C ATOM 1241 HA ALA A 82 -6.378 -1.387 -2.701 1.00 0.00 H ATOM 1242 HB1 ALA A 82 -6.057 -0.902 -5.068 1.00 0.00 H ATOM 1243 HB2 ALA A 82 -7.815 -0.709 -5.283 1.00 0.00 H ATOM 1244 HB3 ALA A 82 -6.911 0.440 -4.267 1.00 0.00 H ATOM 1245 H ALA A 82 -7.382 -3.137 -4.782 1.00 0.00 H ATOM 1246 N LEU A 83 -9.555 -1.745 -2.805 1.00 13.19 N ATOM 1247 CA LEU A 83 -10.807 -1.420 -2.145 1.00 13.35 C ATOM 1248 C LEU A 83 -10.892 -2.015 -0.740 1.00 13.23 C ATOM 1249 O LEU A 83 -11.911 -1.882 -0.066 1.00 13.77 O ATOM 1250 CB LEU A 83 -11.988 -1.840 -3.024 1.00 13.36 C ATOM 1251 CG LEU A 83 -11.953 -1.264 -4.448 1.00 13.95 C ATOM 1252 CD1 LEU A 83 -13.130 -1.767 -5.250 1.00 15.05 C ATOM 1253 CD2 LEU A 83 -11.908 0.271 -4.454 1.00 14.71 C ATOM 1254 HA LEU A 83 -10.850 -0.339 -2.012 1.00 0.00 H ATOM 1255 HB2 LEU A 83 -11.991 -2.928 -3.095 1.00 0.00 H ATOM 1256 HB3 LEU A 83 -12.907 -1.506 -2.543 1.00 0.00 H ATOM 1257 HG LEU A 83 -11.032 -1.612 -4.915 1.00 0.00 H ATOM 1258 HD21 LEU A 83 -12.794 0.661 -3.953 1.00 0.00 H ATOM 1259 HD22 LEU A 83 -11.014 0.609 -3.930 1.00 0.00 H ATOM 1260 HD23 LEU A 83 -11.884 0.629 -5.483 1.00 0.00 H ATOM 1261 HD11 LEU A 83 -13.092 -2.855 -5.306 1.00 0.00 H ATOM 1262 HD12 LEU A 83 -14.056 -1.459 -4.765 1.00 0.00 H ATOM 1263 HD13 LEU A 83 -13.088 -1.348 -6.256 1.00 0.00 H ATOM 1264 H LEU A 83 -9.511 -2.571 -3.435 1.00 0.00 H ATOM 1265 N LEU A 84 -9.817 -2.676 -0.306 1.00 13.17 N ATOM 1266 CA LEU A 84 -9.724 -3.235 1.049 1.00 13.27 C ATOM 1267 C LEU A 84 -8.844 -2.409 1.993 1.00 13.91 C ATOM 1268 O LEU A 84 -8.649 -2.781 3.162 1.00 15.24 O ATOM 1269 CB LEU A 84 -9.205 -4.678 0.990 1.00 13.13 C ATOM 1270 CG LEU A 84 -10.025 -5.612 0.105 1.00 12.35 C ATOM 1271 CD1 LEU A 84 -9.361 -6.962 0.033 1.00 13.55 C ATOM 1272 CD2 LEU A 84 -11.458 -5.717 0.627 1.00 11.79 C ATOM 1273 HA LEU A 84 -10.734 -3.210 1.459 1.00 0.00 H ATOM 1274 HB2 LEU A 84 -8.184 -4.657 0.609 1.00 0.00 H ATOM 1275 HB3 LEU A 84 -9.205 -5.081 2.003 1.00 0.00 H ATOM 1276 HG LEU A 84 -10.072 -5.204 -0.905 1.00 0.00 H ATOM 1277 HD21 LEU A 84 -11.445 -6.110 1.644 1.00 0.00 H ATOM 1278 HD22 LEU A 84 -11.918 -4.729 0.624 1.00 0.00 H ATOM 1279 HD23 LEU A 84 -12.029 -6.387 -0.016 1.00 0.00 H ATOM 1280 HD11 LEU A 84 -8.361 -6.852 -0.388 1.00 0.00 H ATOM 1281 HD12 LEU A 84 -9.290 -7.385 1.035 1.00 0.00 H ATOM 1282 HD13 LEU A 84 -9.952 -7.623 -0.601 1.00 0.00 H ATOM 1283 H LEU A 84 -9.013 -2.800 -0.953 1.00 0.00 H ATOM 1284 N SER A 85 -8.324 -1.295 1.490 1.00 13.92 N ATOM 1285 CA SER A 85 -7.408 -0.450 2.247 1.00 14.14 C ATOM 1286 C SER A 85 -8.073 0.195 3.462 1.00 14.22 C ATOM 1287 O SER A 85 -9.290 0.379 3.489 1.00 13.80 O ATOM 1288 CB SER A 85 -6.830 0.632 1.336 1.00 14.30 C ATOM 1289 OG SER A 85 -6.124 1.594 2.093 1.00 13.78 O ATOM 1290 HA SER A 85 -6.610 -1.092 2.620 1.00 0.00 H ATOM 1291 HB2 SER A 85 -7.643 1.123 0.801 1.00 0.00 H ATOM 1292 HB3 SER A 85 -6.151 0.172 0.618 1.00 0.00 H ATOM 1293 HG SER A 85 -5.758 2.285 1.487 1.00 0.00 H ATOM 1294 H SER A 85 -8.579 -1.015 0.521 1.00 0.00 H ATOM 1295 N SER A 86 -7.268 0.543 4.464 1.00 14.37 N ATOM 1296 CA SER A 86 -7.762 1.250 5.649 1.00 15.30 C ATOM 1297 C SER A 86 -8.206 2.674 5.306 1.00 14.87 C ATOM 1298 O SER A 86 -9.046 3.251 5.995 1.00 15.94 O ATOM 1299 CB SER A 86 -6.712 1.268 6.762 1.00 16.16 C ATOM 1300 OG SER A 86 -5.494 1.823 6.304 1.00 18.92 O ATOM 1301 HA SER A 86 -8.633 0.704 6.012 1.00 0.00 H ATOM 1302 HB2 SER A 86 -6.534 0.247 7.100 1.00 0.00 H ATOM 1303 HB3 SER A 86 -7.085 1.865 7.594 1.00 0.00 H ATOM 1304 HG SER A 86 -5.650 2.752 6.000 1.00 0.00 H ATOM 1305 H SER A 86 -6.257 0.306 4.404 1.00 0.00 H ATOM 1306 N ASP A 87 -7.612 3.224 4.247 1.00 14.60 N ATOM 1307 CA ASP A 87 -7.953 4.514 3.650 1.00 14.62 C ATOM 1308 C ASP A 87 -9.106 4.294 2.669 1.00 13.45 C ATOM 1309 O ASP A 87 -8.953 3.524 1.717 1.00 13.89 O ATOM 1310 CB ASP A 87 -6.703 5.023 2.904 1.00 15.61 C ATOM 1311 CG ASP A 87 -6.866 6.416 2.314 1.00 17.27 C ATOM 1312 OD1 ASP A 87 -7.986 6.812 1.935 1.00 17.46 O ATOM 1313 OD2 ASP A 87 -5.840 7.127 2.205 1.00 21.07 O ATOM 1314 HA ASP A 87 -8.257 5.243 4.401 1.00 0.00 H ATOM 1315 HB2 ASP A 87 -5.868 5.041 3.604 1.00 0.00 H ATOM 1316 HB3 ASP A 87 -6.480 4.330 2.093 1.00 0.00 H ATOM 1317 H ASP A 87 -6.837 2.688 3.806 1.00 0.00 H ATOM 1318 N ILE A 88 -10.242 4.965 2.878 1.00 12.08 N ATOM 1319 CA ILE A 88 -11.438 4.694 2.052 1.00 11.43 C ATOM 1320 C ILE A 88 -11.478 5.421 0.708 1.00 10.65 C ATOM 1321 O ILE A 88 -12.451 5.296 -0.034 1.00 10.06 O ATOM 1322 CB ILE A 88 -12.767 4.933 2.822 1.00 11.63 C ATOM 1323 CG1 ILE A 88 -13.023 6.423 3.106 1.00 11.86 C ATOM 1324 CG2 ILE A 88 -12.828 4.052 4.064 1.00 12.84 C ATOM 1325 CD1 ILE A 88 -14.451 6.710 3.582 1.00 12.70 C ATOM 1326 HA ILE A 88 -11.344 3.632 1.824 1.00 0.00 H ATOM 1327 HB ILE A 88 -13.594 4.631 2.179 1.00 0.00 H ATOM 1328 HG12 ILE A 88 -12.327 6.753 3.877 1.00 0.00 H ATOM 1329 HG13 ILE A 88 -12.843 6.986 2.190 1.00 0.00 H ATOM 1330 HD11 ILE A 88 -15.159 6.394 2.815 1.00 0.00 H ATOM 1331 HD12 ILE A 88 -14.643 6.161 4.504 1.00 0.00 H ATOM 1332 HD13 ILE A 88 -14.564 7.779 3.764 1.00 0.00 H ATOM 1333 HG21 ILE A 88 -12.772 3.004 3.768 1.00 0.00 H ATOM 1334 HG22 ILE A 88 -11.990 4.291 4.719 1.00 0.00 H ATOM 1335 HG23 ILE A 88 -13.765 4.233 4.590 1.00 0.00 H ATOM 1336 H ILE A 88 -10.286 5.684 3.628 1.00 0.00 H ATOM 1337 N THR A 89 -10.425 6.171 0.388 1.00 10.91 N ATOM 1338 CA THR A 89 -10.397 6.992 -0.825 1.00 11.32 C ATOM 1339 C THR A 89 -10.821 6.237 -2.092 1.00 10.85 C ATOM 1340 O THR A 89 -11.713 6.692 -2.816 1.00 11.01 O ATOM 1341 CB THR A 89 -9.008 7.651 -1.026 1.00 11.92 C ATOM 1342 OG1 THR A 89 -8.696 8.460 0.112 1.00 13.56 O ATOM 1343 CG2 THR A 89 -8.990 8.529 -2.264 1.00 13.35 C ATOM 1344 HA THR A 89 -11.143 7.771 -0.667 1.00 0.00 H ATOM 1345 HB THR A 89 -8.272 6.856 -1.147 1.00 0.00 H ATOM 1346 HG1 THR A 89 -8.679 7.893 0.924 1.00 0.00 H ATOM 1347 HG23 THR A 89 -9.226 7.925 -3.140 1.00 0.00 H ATOM 1348 HG21 THR A 89 -9.731 9.321 -2.157 1.00 0.00 H ATOM 1349 HG22 THR A 89 -8.000 8.969 -2.381 1.00 0.00 H ATOM 1350 H THR A 89 -9.598 6.174 1.018 1.00 0.00 H ATOM 1351 N ALA A 90 -10.187 5.100 -2.362 1.00 10.75 N ATOM 1352 CA ALA A 90 -10.490 4.356 -3.582 1.00 10.76 C ATOM 1353 C ALA A 90 -11.930 3.866 -3.611 1.00 10.35 C ATOM 1354 O ALA A 90 -12.592 3.929 -4.649 1.00 10.64 O ATOM 1355 CB ALA A 90 -9.518 3.199 -3.769 1.00 11.22 C ATOM 1356 HA ALA A 90 -10.369 5.046 -4.417 1.00 0.00 H ATOM 1357 HB1 ALA A 90 -8.502 3.587 -3.838 1.00 0.00 H ATOM 1358 HB2 ALA A 90 -9.593 2.522 -2.918 1.00 0.00 H ATOM 1359 HB3 ALA A 90 -9.766 2.662 -4.684 1.00 0.00 H ATOM 1360 H ALA A 90 -9.471 4.738 -1.700 1.00 0.00 H ATOM 1361 N SER A 91 -12.418 3.383 -2.471 1.00 9.35 N ATOM 1362 CA SER A 91 -13.810 2.928 -2.401 1.00 9.22 C ATOM 1363 C SER A 91 -14.785 4.074 -2.627 1.00 8.88 C ATOM 1364 O SER A 91 -15.811 3.890 -3.288 1.00 9.11 O ATOM 1365 CB SER A 91 -14.121 2.235 -1.077 1.00 9.37 C ATOM 1366 OG SER A 91 -13.566 0.937 -1.057 1.00 10.02 O ATOM 1367 HA SER A 91 -13.935 2.200 -3.203 1.00 0.00 H ATOM 1368 HB2 SER A 91 -15.202 2.166 -0.953 1.00 0.00 H ATOM 1369 HB3 SER A 91 -13.700 2.819 -0.258 1.00 0.00 H ATOM 1370 HG SER A 91 -12.584 0.998 -1.166 1.00 0.00 H ATOM 1371 H SER A 91 -11.811 3.328 -1.628 1.00 0.00 H ATOM 1372 N VAL A 92 -14.488 5.245 -2.074 1.00 9.46 N ATOM 1373 CA VAL A 92 -15.353 6.405 -2.283 1.00 9.90 C ATOM 1374 C VAL A 92 -15.366 6.836 -3.748 1.00 10.23 C ATOM 1375 O VAL A 92 -16.433 7.084 -4.325 1.00 10.49 O ATOM 1376 CB VAL A 92 -14.961 7.581 -1.373 1.00 10.46 C ATOM 1377 CG1 VAL A 92 -15.752 8.824 -1.746 1.00 11.58 C ATOM 1378 CG2 VAL A 92 -15.205 7.220 0.074 1.00 11.02 C ATOM 1379 HA VAL A 92 -16.364 6.099 -2.012 1.00 0.00 H ATOM 1380 HB VAL A 92 -13.900 7.791 -1.509 1.00 0.00 H ATOM 1381 HG11 VAL A 92 -15.542 9.090 -2.782 1.00 0.00 H ATOM 1382 HG12 VAL A 92 -16.817 8.624 -1.630 1.00 0.00 H ATOM 1383 HG13 VAL A 92 -15.463 9.647 -1.092 1.00 0.00 H ATOM 1384 HG21 VAL A 92 -16.261 6.992 0.217 1.00 0.00 H ATOM 1385 HG22 VAL A 92 -14.605 6.348 0.336 1.00 0.00 H ATOM 1386 HG23 VAL A 92 -14.924 8.060 0.709 1.00 0.00 H ATOM 1387 H VAL A 92 -13.634 5.337 -1.488 1.00 0.00 H ATOM 1388 N ASN A 93 -14.190 6.929 -4.353 1.00 10.69 N ATOM 1389 CA ASN A 93 -14.115 7.326 -5.749 1.00 11.96 C ATOM 1390 C ASN A 93 -14.882 6.372 -6.652 1.00 11.25 C ATOM 1391 O ASN A 93 -15.599 6.795 -7.553 1.00 11.71 O ATOM 1392 CB ASN A 93 -12.659 7.484 -6.197 1.00 13.33 C ATOM 1393 CG ASN A 93 -12.022 8.749 -5.656 1.00 16.69 C ATOM 1394 OD1 ASN A 93 -12.712 9.718 -5.333 1.00 20.47 O ATOM 1395 ND2 ASN A 93 -10.698 8.745 -5.550 1.00 19.82 N ATOM 1396 HA ASN A 93 -14.597 8.299 -5.840 1.00 0.00 H ATOM 1397 HB2 ASN A 93 -12.088 6.625 -5.843 1.00 0.00 H ATOM 1398 HB3 ASN A 93 -12.629 7.515 -7.286 1.00 0.00 H ATOM 1399 HD22 ASN A 93 -10.156 7.904 -5.835 1.00 0.00 H ATOM 1400 HD21 ASN A 93 -10.203 9.583 -5.182 1.00 0.00 H ATOM 1401 H ASN A 93 -13.318 6.717 -3.827 1.00 0.00 H ATOM 1402 N CYS A 94 -14.750 5.078 -6.394 1.00 10.65 N ATOM 1403 CA CYS A 94 -15.479 4.091 -7.169 1.00 10.37 C ATOM 1404 C CYS A 94 -16.987 4.158 -6.874 1.00 9.66 C ATOM 1405 O CYS A 94 -17.791 4.120 -7.802 1.00 10.01 O ATOM 1406 CB CYS A 94 -14.896 2.700 -6.931 1.00 10.57 C ATOM 1407 SG CYS A 94 -15.593 1.420 -7.953 1.00 10.99 S ATOM 1408 HA CYS A 94 -15.363 4.316 -8.229 1.00 0.00 H ATOM 1409 HB2 CYS A 94 -15.067 2.433 -5.888 1.00 0.00 H ATOM 1410 HB3 CYS A 94 -13.824 2.743 -7.123 1.00 0.00 H ATOM 1411 HG CYS A 94 -16.867 1.709 -7.507 1.00 0.00 H ATOM 1412 H CYS A 94 -14.118 4.767 -5.629 1.00 0.00 H ATOM 1413 N ALA A 95 -17.366 4.286 -5.600 1.00 9.38 N ATOM 1414 CA ALA A 95 -18.785 4.403 -5.234 1.00 9.08 C ATOM 1415 C ALA A 95 -19.461 5.586 -5.932 1.00 8.72 C ATOM 1416 O ALA A 95 -20.633 5.495 -6.314 1.00 8.76 O ATOM 1417 CB ALA A 95 -18.950 4.504 -3.736 1.00 9.04 C ATOM 1418 HA ALA A 95 -19.280 3.495 -5.577 1.00 0.00 H ATOM 1419 HB1 ALA A 95 -18.539 3.611 -3.265 1.00 0.00 H ATOM 1420 HB2 ALA A 95 -18.420 5.384 -3.372 1.00 0.00 H ATOM 1421 HB3 ALA A 95 -20.009 4.589 -3.493 1.00 0.00 H ATOM 1422 H ALA A 95 -16.643 4.303 -4.852 1.00 0.00 H ATOM 1423 N LYS A 96 -18.731 6.690 -6.090 1.00 9.16 N ATOM 1424 CA LYS A 96 -19.268 7.834 -6.817 1.00 10.04 C ATOM 1425 C LYS A 96 -19.634 7.468 -8.252 1.00 10.29 C ATOM 1426 O LYS A 96 -20.670 7.905 -8.753 1.00 10.92 O ATOM 1427 CB LYS A 96 -18.311 9.026 -6.779 1.00 10.42 C ATOM 1428 CG LYS A 96 -18.230 9.697 -5.419 1.00 10.85 C ATOM 1429 CD LYS A 96 -17.221 10.837 -5.427 1.00 12.44 C ATOM 1430 CE LYS A 96 -17.198 11.571 -4.093 1.00 12.53 C ATOM 1431 NZ LYS A 96 -16.148 12.630 -4.059 1.00 14.22 N ATOM 1432 HA LYS A 96 -20.185 8.132 -6.310 1.00 0.00 H ATOM 1433 HB2 LYS A 96 -17.315 8.677 -7.052 1.00 0.00 H ATOM 1434 HB3 LYS A 96 -18.649 9.763 -7.508 1.00 0.00 H ATOM 1435 HG2 LYS A 96 -19.212 10.092 -5.158 1.00 0.00 H ATOM 1436 HG3 LYS A 96 -17.928 8.959 -4.676 1.00 0.00 H ATOM 1437 HD2 LYS A 96 -16.229 10.431 -5.625 1.00 0.00 H ATOM 1438 HD3 LYS A 96 -17.488 11.541 -6.215 1.00 0.00 H ATOM 1439 HE2 LYS A 96 -17.000 10.852 -3.298 1.00 0.00 H ATOM 1440 HE3 LYS A 96 -18.171 12.034 -3.928 1.00 0.00 H ATOM 1441 HZ1 LYS A 96 -15.215 12.196 -4.209 1.00 0.00 H ATOM 1442 HZ2 LYS A 96 -16.333 13.325 -4.811 1.00 0.00 H ATOM 1443 HZ3 LYS A 96 -16.166 13.105 -3.134 1.00 0.00 H ATOM 1444 H LYS A 96 -17.771 6.736 -5.692 1.00 0.00 H ATOM 1445 N LYS A 97 -18.808 6.653 -8.904 1.00 10.38 N ATOM 1446 CA LYS A 97 -19.132 6.179 -10.243 1.00 10.79 C ATOM 1447 C LYS A 97 -20.341 5.240 -10.231 1.00 10.04 C ATOM 1448 O LYS A 97 -21.244 5.365 -11.062 1.00 10.63 O ATOM 1449 CB LYS A 97 -17.911 5.509 -10.873 1.00 11.41 C ATOM 1450 CG LYS A 97 -16.708 6.438 -11.034 1.00 15.46 C ATOM 1451 CD LYS A 97 -15.530 5.714 -11.671 1.00 19.09 C ATOM 1452 CE LYS A 97 -14.427 6.679 -12.093 1.00 21.66 C ATOM 1453 NZ LYS A 97 -13.556 7.080 -10.957 1.00 23.36 N ATOM 1454 HA LYS A 97 -19.406 7.040 -10.853 1.00 0.00 H ATOM 1455 HB2 LYS A 97 -17.616 4.671 -10.242 1.00 0.00 H ATOM 1456 HB3 LYS A 97 -18.193 5.138 -11.859 1.00 0.00 H ATOM 1457 HG2 LYS A 97 -16.991 7.280 -11.666 1.00 0.00 H ATOM 1458 HG3 LYS A 97 -16.410 6.806 -10.052 1.00 0.00 H ATOM 1459 HD2 LYS A 97 -15.121 5.005 -10.951 1.00 0.00 H ATOM 1460 HD3 LYS A 97 -15.882 5.175 -12.551 1.00 0.00 H ATOM 1461 HE2 LYS A 97 -14.887 7.573 -12.514 1.00 0.00 H ATOM 1462 HE3 LYS A 97 -13.812 6.196 -12.852 1.00 0.00 H ATOM 1463 HZ1 LYS A 97 -14.132 7.549 -10.229 1.00 0.00 H ATOM 1464 HZ2 LYS A 97 -13.105 6.235 -10.552 1.00 0.00 H ATOM 1465 HZ3 LYS A 97 -12.824 7.735 -11.298 1.00 0.00 H ATOM 1466 H LYS A 97 -17.921 6.351 -8.452 1.00 0.00 H ATOM 1467 N ILE A 98 -20.365 4.310 -9.280 1.00 9.50 N ATOM 1468 CA ILE A 98 -21.451 3.336 -9.171 1.00 9.40 C ATOM 1469 C ILE A 98 -22.814 4.023 -9.024 1.00 9.14 C ATOM 1470 O ILE A 98 -23.773 3.699 -9.733 1.00 10.30 O ATOM 1471 CB ILE A 98 -21.204 2.370 -7.985 1.00 9.09 C ATOM 1472 CG1 ILE A 98 -19.924 1.565 -8.207 1.00 9.71 C ATOM 1473 CG2 ILE A 98 -22.392 1.441 -7.779 1.00 10.02 C ATOM 1474 CD1 ILE A 98 -19.464 0.766 -7.013 1.00 10.39 C ATOM 1475 HA ILE A 98 -21.466 2.760 -10.096 1.00 0.00 H ATOM 1476 HB ILE A 98 -21.085 2.968 -7.082 1.00 0.00 H ATOM 1477 HG12 ILE A 98 -20.097 0.874 -9.032 1.00 0.00 H ATOM 1478 HG13 ILE A 98 -19.129 2.260 -8.477 1.00 0.00 H ATOM 1479 HD11 ILE A 98 -19.271 1.440 -6.179 1.00 0.00 H ATOM 1480 HD12 ILE A 98 -20.240 0.053 -6.734 1.00 0.00 H ATOM 1481 HD13 ILE A 98 -18.550 0.229 -7.267 1.00 0.00 H ATOM 1482 HG21 ILE A 98 -23.282 2.033 -7.568 1.00 0.00 H ATOM 1483 HG22 ILE A 98 -22.552 0.852 -8.682 1.00 0.00 H ATOM 1484 HG23 ILE A 98 -22.190 0.775 -6.940 1.00 0.00 H ATOM 1485 H ILE A 98 -19.586 4.274 -8.592 1.00 0.00 H ATOM 1486 N VAL A 99 -22.894 4.972 -8.104 1.00 9.33 N ATOM 1487 CA VAL A 99 -24.160 5.624 -7.780 1.00 9.38 C ATOM 1488 C VAL A 99 -24.619 6.583 -8.880 1.00 10.27 C ATOM 1489 O VAL A 99 -25.775 6.994 -8.899 1.00 10.35 O ATOM 1490 CB VAL A 99 -24.067 6.351 -6.412 1.00 9.40 C ATOM 1491 CG1 VAL A 99 -23.256 7.644 -6.516 1.00 10.01 C ATOM 1492 CG2 VAL A 99 -25.444 6.627 -5.825 1.00 9.72 C ATOM 1493 HA VAL A 99 -24.916 4.842 -7.708 1.00 0.00 H ATOM 1494 HB VAL A 99 -23.543 5.678 -5.733 1.00 0.00 H ATOM 1495 HG11 VAL A 99 -22.246 7.412 -6.852 1.00 0.00 H ATOM 1496 HG12 VAL A 99 -23.733 8.314 -7.231 1.00 0.00 H ATOM 1497 HG13 VAL A 99 -23.213 8.124 -5.538 1.00 0.00 H ATOM 1498 HG21 VAL A 99 -26.010 7.257 -6.511 1.00 0.00 H ATOM 1499 HG22 VAL A 99 -25.970 5.684 -5.677 1.00 0.00 H ATOM 1500 HG23 VAL A 99 -25.334 7.137 -4.868 1.00 0.00 H ATOM 1501 H VAL A 99 -22.032 5.261 -7.599 1.00 0.00 H ATOM 1502 N SER A 100 -23.702 6.928 -9.785 1.00 11.17 N ATOM 1503 CA SER A 100 -23.978 7.830 -10.894 1.00 12.51 C ATOM 1504 C SER A 100 -24.423 7.093 -12.154 1.00 13.52 C ATOM 1505 O SER A 100 -24.720 7.730 -13.164 1.00 14.68 O ATOM 1506 CB SER A 100 -22.735 8.665 -11.214 1.00 12.75 C ATOM 1507 OG SER A 100 -22.359 9.470 -10.117 1.00 13.54 O ATOM 1508 HA SER A 100 -24.799 8.474 -10.578 1.00 0.00 H ATOM 1509 HB2 SER A 100 -22.949 9.307 -12.069 1.00 0.00 H ATOM 1510 HB3 SER A 100 -21.911 7.995 -11.462 1.00 0.00 H ATOM 1511 HG SER A 100 -22.158 8.892 -9.339 1.00 0.00 H ATOM 1512 H SER A 100 -22.744 6.534 -9.694 1.00 0.00 H ATOM 1513 N ASP A 101 -24.490 5.766 -12.099 1.00 14.45 N ATOM 1514 CA ASP A 101 -24.604 4.957 -13.312 1.00 16.18 C ATOM 1515 C ASP A 101 -26.034 4.697 -13.793 1.00 16.10 C ATOM 1516 O ASP A 101 -26.230 4.076 -14.843 1.00 17.54 O ATOM 1517 CB ASP A 101 -23.822 3.649 -13.163 1.00 16.99 C ATOM 1518 CG ASP A 101 -23.211 3.188 -14.473 1.00 19.44 C ATOM 1519 OD1 ASP A 101 -23.411 2.019 -14.839 1.00 21.73 O ATOM 1520 OD2 ASP A 101 -22.543 4.003 -15.145 1.00 22.79 O ATOM 1521 HA ASP A 101 -24.159 5.563 -14.101 1.00 0.00 H ATOM 1522 HB2 ASP A 101 -23.023 3.799 -12.437 1.00 0.00 H ATOM 1523 HB3 ASP A 101 -24.499 2.875 -12.801 1.00 0.00 H ATOM 1524 H ASP A 101 -24.461 5.293 -11.173 1.00 0.00 H ATOM 1525 N GLY A 102 -27.024 5.167 -13.033 1.00 15.71 N ATOM 1526 CA GLY A 102 -28.433 5.085 -13.454 1.00 14.82 C ATOM 1527 C GLY A 102 -29.443 4.653 -12.397 1.00 14.12 C ATOM 1528 O GLY A 102 -30.556 5.182 -12.333 1.00 14.23 O ATOM 1529 HA3 GLY A 102 -28.491 4.372 -14.276 1.00 0.00 H ATOM 1530 HA2 GLY A 102 -28.729 6.072 -13.809 1.00 0.00 H ATOM 1531 H GLY A 102 -26.795 5.604 -12.117 1.00 0.00 H ATOM 1532 N ASN A 103 -29.058 3.686 -11.569 1.00 13.44 N ATOM 1533 CA ASN A 103 -29.945 3.143 -10.538 1.00 12.63 C ATOM 1534 C ASN A 103 -29.703 3.710 -9.142 1.00 11.07 C ATOM 1535 O ASN A 103 -30.307 3.250 -8.162 1.00 10.59 O ATOM 1536 CB ASN A 103 -29.871 1.610 -10.514 1.00 13.73 C ATOM 1537 CG ASN A 103 -30.489 0.973 -11.758 1.00 16.09 C ATOM 1538 OD1 ASN A 103 -31.316 1.580 -12.441 1.00 19.24 O ATOM 1539 ND2 ASN A 103 -30.082 -0.255 -12.056 1.00 18.59 N ATOM 1540 HA ASN A 103 -30.950 3.460 -10.818 1.00 0.00 H ATOM 1541 HB2 ASN A 103 -28.825 1.312 -10.452 1.00 0.00 H ATOM 1542 HB3 ASN A 103 -30.404 1.248 -9.635 1.00 0.00 H ATOM 1543 HD22 ASN A 103 -29.382 -0.732 -11.452 1.00 0.00 H ATOM 1544 HD21 ASN A 103 -30.463 -0.740 -12.893 1.00 0.00 H ATOM 1545 H ASN A 103 -28.095 3.303 -11.657 1.00 0.00 H ATOM 1546 N GLY A 104 -28.844 4.721 -9.050 1.00 10.09 N ATOM 1547 CA GLY A 104 -28.553 5.354 -7.767 1.00 9.05 C ATOM 1548 C GLY A 104 -28.074 4.329 -6.760 1.00 8.37 C ATOM 1549 O GLY A 104 -27.331 3.408 -7.120 1.00 8.72 O ATOM 1550 HA3 GLY A 104 -29.458 5.831 -7.390 1.00 0.00 H ATOM 1551 HA2 GLY A 104 -27.778 6.108 -7.907 1.00 0.00 H ATOM 1552 H GLY A 104 -28.370 5.067 -9.909 1.00 0.00 H ATOM 1553 N MET A 105 -28.515 4.463 -5.511 1.00 7.57 N ATOM 1554 CA MET A 105 -28.037 3.561 -4.463 1.00 7.02 C ATOM 1555 C MET A 105 -28.676 2.180 -4.501 1.00 7.08 C ATOM 1556 O MET A 105 -28.275 1.303 -3.739 1.00 7.25 O ATOM 1557 CB MET A 105 -28.133 4.178 -3.068 1.00 7.43 C ATOM 1558 CG MET A 105 -27.097 5.253 -2.833 1.00 7.16 C ATOM 1559 SD MET A 105 -26.885 5.737 -1.107 1.00 7.90 S ATOM 1560 CE MET A 105 -25.945 4.344 -0.492 1.00 8.42 C ATOM 1561 HA MET A 105 -26.980 3.414 -4.687 1.00 0.00 H ATOM 1562 HB2 MET A 105 -29.124 4.616 -2.948 1.00 0.00 H ATOM 1563 HB3 MET A 105 -27.993 3.390 -2.328 1.00 0.00 H ATOM 1564 HG2 MET A 105 -27.391 6.137 -3.400 1.00 0.00 H ATOM 1565 HG3 MET A 105 -26.139 4.888 -3.203 1.00 0.00 H ATOM 1566 HE1 MET A 105 -26.524 3.430 -0.624 1.00 0.00 H ATOM 1567 HE2 MET A 105 -25.009 4.266 -1.045 1.00 0.00 H ATOM 1568 HE3 MET A 105 -25.732 4.490 0.567 1.00 0.00 H ATOM 1569 H MET A 105 -29.200 5.210 -5.280 1.00 0.00 H ATOM 1570 N ASN A 106 -29.639 1.968 -5.398 1.00 7.77 N ATOM 1571 CA ASN A 106 -30.175 0.621 -5.596 1.00 8.37 C ATOM 1572 C ASN A 106 -29.101 -0.374 -6.037 1.00 8.62 C ATOM 1573 O ASN A 106 -29.305 -1.582 -5.952 1.00 9.81 O ATOM 1574 CB ASN A 106 -31.365 0.634 -6.549 1.00 8.99 C ATOM 1575 CG ASN A 106 -32.515 1.456 -6.017 1.00 8.71 C ATOM 1576 OD1 ASN A 106 -33.158 1.088 -5.031 1.00 9.26 O ATOM 1577 ND2 ASN A 106 -32.765 2.595 -6.654 1.00 10.14 N ATOM 1578 HA ASN A 106 -30.534 0.274 -4.627 1.00 0.00 H ATOM 1579 HB2 ASN A 106 -31.046 1.053 -7.503 1.00 0.00 H ATOM 1580 HB3 ASN A 106 -31.706 -0.390 -6.699 1.00 0.00 H ATOM 1581 HD22 ASN A 106 -32.196 2.864 -7.482 1.00 0.00 H ATOM 1582 HD21 ASN A 106 -33.530 3.218 -6.325 1.00 0.00 H ATOM 1583 H ASN A 106 -30.010 2.762 -5.958 1.00 0.00 H ATOM 1584 N ALA A 107 -27.954 0.140 -6.477 1.00 8.80 N ATOM 1585 CA ALA A 107 -26.792 -0.693 -6.785 1.00 9.15 C ATOM 1586 C ALA A 107 -26.336 -1.520 -5.572 1.00 9.23 C ATOM 1587 O ALA A 107 -25.753 -2.597 -5.726 1.00 10.45 O ATOM 1588 CB ALA A 107 -25.650 0.173 -7.290 1.00 10.03 C ATOM 1589 HA ALA A 107 -27.088 -1.395 -7.564 1.00 0.00 H ATOM 1590 HB1 ALA A 107 -25.965 0.698 -8.192 1.00 0.00 H ATOM 1591 HB2 ALA A 107 -25.379 0.898 -6.523 1.00 0.00 H ATOM 1592 HB3 ALA A 107 -24.790 -0.458 -7.516 1.00 0.00 H ATOM 1593 H ALA A 107 -27.882 1.169 -6.606 1.00 0.00 H ATOM 1594 N TRP A 108 -26.586 -1.008 -4.368 1.00 8.59 N ATOM 1595 CA TRP A 108 -26.235 -1.703 -3.129 1.00 8.98 C ATOM 1596 C TRP A 108 -27.444 -2.429 -2.600 1.00 9.23 C ATOM 1597 O TRP A 108 -28.408 -1.816 -2.104 1.00 9.44 O ATOM 1598 CB TRP A 108 -25.677 -0.746 -2.076 1.00 8.58 C ATOM 1599 CG TRP A 108 -24.309 -0.275 -2.395 1.00 8.18 C ATOM 1600 CD1 TRP A 108 -23.142 -0.885 -2.046 1.00 8.69 C ATOM 1601 CD2 TRP A 108 -23.943 0.891 -3.138 1.00 7.61 C ATOM 1602 NE1 TRP A 108 -22.070 -0.172 -2.509 1.00 9.36 N ATOM 1603 CE2 TRP A 108 -22.530 0.923 -3.187 1.00 8.33 C ATOM 1604 CE3 TRP A 108 -24.669 1.912 -3.767 1.00 8.38 C ATOM 1605 CZ2 TRP A 108 -21.832 1.924 -3.843 1.00 8.38 C ATOM 1606 CZ3 TRP A 108 -23.978 2.907 -4.411 1.00 8.18 C ATOM 1607 CH2 TRP A 108 -22.569 2.913 -4.445 1.00 7.92 C ATOM 1608 HA TRP A 108 -25.448 -2.422 -3.354 1.00 0.00 H ATOM 1609 HB2 TRP A 108 -26.336 0.119 -2.007 1.00 0.00 H ATOM 1610 HB3 TRP A 108 -25.653 -1.260 -1.115 1.00 0.00 H ATOM 1611 HE1 TRP A 108 -21.070 -0.422 -2.369 1.00 0.00 H ATOM 1612 HD1 TRP A 108 -23.072 -1.812 -1.477 1.00 0.00 H ATOM 1613 HZ2 TRP A 108 -20.743 1.926 -3.879 1.00 0.00 H ATOM 1614 HH2 TRP A 108 -22.053 3.722 -4.962 1.00 0.00 H ATOM 1615 HZ3 TRP A 108 -24.529 3.707 -4.905 1.00 0.00 H ATOM 1616 HE3 TRP A 108 -25.759 1.915 -3.745 1.00 0.00 H ATOM 1617 H TRP A 108 -27.048 -0.079 -4.306 1.00 0.00 H ATOM 1618 N VAL A 109 -27.376 -3.749 -2.697 1.00 9.94 N ATOM 1619 CA VAL A 109 -28.504 -4.586 -2.342 1.00 10.72 C ATOM 1620 C VAL A 109 -28.890 -4.401 -0.875 1.00 9.75 C ATOM 1621 O VAL A 109 -30.081 -4.295 -0.558 1.00 10.88 O ATOM 1622 CB VAL A 109 -28.239 -6.063 -2.691 1.00 11.75 C ATOM 1623 CG1 VAL A 109 -29.277 -6.992 -2.052 1.00 13.58 C ATOM 1624 CG2 VAL A 109 -28.163 -6.248 -4.213 1.00 13.02 C ATOM 1625 HA VAL A 109 -29.358 -4.268 -2.940 1.00 0.00 H ATOM 1626 HB VAL A 109 -27.273 -6.343 -2.271 1.00 0.00 H ATOM 1627 HG11 VAL A 109 -29.241 -6.883 -0.968 1.00 0.00 H ATOM 1628 HG12 VAL A 109 -30.271 -6.727 -2.413 1.00 0.00 H ATOM 1629 HG13 VAL A 109 -29.054 -8.024 -2.323 1.00 0.00 H ATOM 1630 HG21 VAL A 109 -29.107 -5.940 -4.663 1.00 0.00 H ATOM 1631 HG22 VAL A 109 -27.353 -5.638 -4.612 1.00 0.00 H ATOM 1632 HG23 VAL A 109 -27.975 -7.297 -4.441 1.00 0.00 H ATOM 1633 H VAL A 109 -26.497 -4.192 -3.034 1.00 0.00 H ATOM 1634 N ALA A 110 -27.897 -4.331 0.003 1.00 10.30 N ATOM 1635 CA ALA A 110 -28.196 -4.153 1.417 1.00 9.97 C ATOM 1636 C ALA A 110 -28.822 -2.780 1.696 1.00 9.44 C ATOM 1637 O ALA A 110 -29.659 -2.649 2.588 1.00 9.51 O ATOM 1638 CB ALA A 110 -26.967 -4.380 2.262 1.00 11.02 C ATOM 1639 HA ALA A 110 -28.935 -4.904 1.694 1.00 0.00 H ATOM 1640 HB1 ALA A 110 -26.603 -5.396 2.106 1.00 0.00 H ATOM 1641 HB2 ALA A 110 -26.194 -3.667 1.975 1.00 0.00 H ATOM 1642 HB3 ALA A 110 -27.220 -4.241 3.313 1.00 0.00 H ATOM 1643 H ALA A 110 -26.910 -4.403 -0.317 1.00 0.00 H ATOM 1644 N TRP A 111 -28.411 -1.755 0.948 1.00 8.99 N ATOM 1645 CA TRP A 111 -29.039 -0.440 1.082 1.00 8.50 C ATOM 1646 C TRP A 111 -30.515 -0.511 0.702 1.00 8.20 C ATOM 1647 O TRP A 111 -31.376 -0.041 1.438 1.00 8.09 O ATOM 1648 CB TRP A 111 -28.323 0.630 0.251 1.00 8.63 C ATOM 1649 CG TRP A 111 -29.018 1.972 0.327 1.00 7.81 C ATOM 1650 CD1 TRP A 111 -28.840 2.929 1.282 1.00 7.87 C ATOM 1651 CD2 TRP A 111 -30.036 2.466 -0.555 1.00 7.86 C ATOM 1652 NE1 TRP A 111 -29.674 3.993 1.046 1.00 7.92 N ATOM 1653 CE2 TRP A 111 -30.412 3.742 -0.081 1.00 8.12 C ATOM 1654 CE3 TRP A 111 -30.636 1.974 -1.726 1.00 8.68 C ATOM 1655 CZ2 TRP A 111 -31.367 4.530 -0.727 1.00 8.79 C ATOM 1656 CZ3 TRP A 111 -31.580 2.759 -2.369 1.00 9.37 C ATOM 1657 CH2 TRP A 111 -31.944 4.023 -1.860 1.00 9.43 C ATOM 1658 HA TRP A 111 -28.955 -0.147 2.129 1.00 0.00 H ATOM 1659 HB2 TRP A 111 -27.304 0.740 0.623 1.00 0.00 H ATOM 1660 HB3 TRP A 111 -28.296 0.307 -0.790 1.00 0.00 H ATOM 1661 HE1 TRP A 111 -29.736 4.852 1.629 1.00 0.00 H ATOM 1662 HD1 TRP A 111 -28.137 2.859 2.112 1.00 0.00 H ATOM 1663 HZ2 TRP A 111 -31.643 5.512 -0.343 1.00 0.00 H ATOM 1664 HH2 TRP A 111 -32.702 4.609 -2.380 1.00 0.00 H ATOM 1665 HZ3 TRP A 111 -32.049 2.394 -3.283 1.00 0.00 H ATOM 1666 HE3 TRP A 111 -30.365 0.995 -2.121 1.00 0.00 H ATOM 1667 H TRP A 111 -27.639 -1.891 0.265 1.00 0.00 H ATOM 1668 N ARG A 112 -30.822 -1.125 -0.433 1.00 9.13 N ATOM 1669 CA ARG A 112 -32.211 -1.213 -0.861 1.00 10.25 C ATOM 1670 C ARG A 112 -33.068 -1.945 0.173 1.00 10.04 C ATOM 1671 O ARG A 112 -34.161 -1.506 0.517 1.00 10.43 O ATOM 1672 CB ARG A 112 -32.329 -1.871 -2.240 1.00 11.85 C ATOM 1673 CG ARG A 112 -33.767 -1.967 -2.746 1.00 14.95 C ATOM 1674 CD ARG A 112 -33.876 -2.530 -4.157 1.00 18.45 C ATOM 1675 NE ARG A 112 -33.141 -3.782 -4.334 1.00 21.01 N ATOM 1676 CZ ARG A 112 -33.574 -4.990 -3.970 1.00 22.54 C ATOM 1677 NH1 ARG A 112 -34.759 -5.151 -3.382 1.00 22.89 N ATOM 1678 NH2 ARG A 112 -32.806 -6.049 -4.192 1.00 23.71 N ATOM 1679 HA ARG A 112 -32.591 -0.195 -0.945 1.00 0.00 H ATOM 1680 HB2 ARG A 112 -31.750 -1.285 -2.953 1.00 0.00 H ATOM 1681 HB3 ARG A 112 -31.916 -2.878 -2.179 1.00 0.00 H ATOM 1682 HG2 ARG A 112 -34.328 -2.614 -2.071 1.00 0.00 H ATOM 1683 HG3 ARG A 112 -34.204 -0.968 -2.738 1.00 0.00 H ATOM 1684 HD2 ARG A 112 -33.480 -1.793 -4.856 1.00 0.00 H ATOM 1685 HD3 ARG A 112 -34.928 -2.711 -4.378 1.00 0.00 H ATOM 1686 HE ARG A 112 -32.203 -3.726 -4.780 1.00 0.00 H ATOM 1687 HH12 ARG A 112 -35.078 -6.102 -3.106 1.00 0.00 H ATOM 1688 HH11 ARG A 112 -35.365 -4.326 -3.199 1.00 0.00 H ATOM 1689 HH22 ARG A 112 -33.133 -6.996 -3.913 1.00 0.00 H ATOM 1690 HH21 ARG A 112 -31.877 -5.932 -4.645 1.00 0.00 H ATOM 1691 H ARG A 112 -30.070 -1.544 -1.017 1.00 0.00 H ATOM 1692 N ASN A 113 -32.547 -3.040 0.701 1.00 9.66 N ATOM 1693 CA ASN A 113 -33.326 -3.893 1.586 1.00 9.87 C ATOM 1694 C ASN A 113 -33.377 -3.455 3.040 1.00 9.74 C ATOM 1695 O ASN A 113 -34.294 -3.851 3.760 1.00 10.37 O ATOM 1696 CB ASN A 113 -32.840 -5.341 1.489 1.00 9.92 C ATOM 1697 CG ASN A 113 -33.213 -5.980 0.171 1.00 10.80 C ATOM 1698 OD1 ASN A 113 -34.224 -5.624 -0.427 1.00 12.44 O ATOM 1699 ND2 ASN A 113 -32.407 -6.923 -0.288 1.00 10.75 N ATOM 1700 HA ASN A 113 -34.352 -3.803 1.229 1.00 0.00 H ATOM 1701 HB2 ASN A 113 -31.755 -5.355 1.592 1.00 0.00 H ATOM 1702 HB3 ASN A 113 -33.288 -5.917 2.298 1.00 0.00 H ATOM 1703 HD22 ASN A 113 -31.561 -7.192 0.253 1.00 0.00 H ATOM 1704 HD21 ASN A 113 -32.620 -7.395 -1.190 1.00 0.00 H ATOM 1705 H ASN A 113 -31.564 -3.296 0.480 1.00 0.00 H ATOM 1706 N ARG A 114 -32.413 -2.638 3.470 1.00 9.46 N ATOM 1707 CA ARG A 114 -32.267 -2.346 4.894 1.00 9.31 C ATOM 1708 C ARG A 114 -32.166 -0.868 5.248 1.00 8.66 C ATOM 1709 O ARG A 114 -32.312 -0.510 6.417 1.00 9.95 O ATOM 1710 CB ARG A 114 -31.091 -3.132 5.467 1.00 9.63 C ATOM 1711 CG ARG A 114 -31.225 -4.629 5.186 1.00 10.00 C ATOM 1712 CD ARG A 114 -30.065 -5.407 5.697 1.00 10.00 C ATOM 1713 NE ARG A 114 -30.097 -5.571 7.141 1.00 9.22 N ATOM 1714 CZ ARG A 114 -29.212 -6.315 7.803 1.00 9.24 C ATOM 1715 NH1 ARG A 114 -28.240 -6.947 7.148 1.00 10.42 N ATOM 1716 NH2 ARG A 114 -29.294 -6.440 9.118 1.00 10.15 N ATOM 1717 HA ARG A 114 -33.199 -2.669 5.358 1.00 0.00 H ATOM 1718 HB2 ARG A 114 -30.168 -2.768 5.015 1.00 0.00 H ATOM 1719 HB3 ARG A 114 -31.052 -2.976 6.545 1.00 0.00 H ATOM 1720 HG2 ARG A 114 -32.132 -4.996 5.666 1.00 0.00 H ATOM 1721 HG3 ARG A 114 -31.300 -4.778 4.109 1.00 0.00 H ATOM 1722 HD2 ARG A 114 -29.147 -4.886 5.424 1.00 0.00 H ATOM 1723 HD3 ARG A 114 -30.073 -6.393 5.233 1.00 0.00 H ATOM 1724 HE ARG A 114 -30.843 -5.087 7.680 1.00 0.00 H ATOM 1725 HH12 ARG A 114 -27.552 -7.526 7.670 1.00 0.00 H ATOM 1726 HH11 ARG A 114 -28.169 -6.861 6.114 1.00 0.00 H ATOM 1727 HH22 ARG A 114 -28.600 -7.022 9.629 1.00 0.00 H ATOM 1728 HH21 ARG A 114 -30.052 -5.956 9.640 1.00 0.00 H ATOM 1729 H ARG A 114 -31.760 -2.206 2.785 1.00 0.00 H ATOM 1730 N CYS A 115 -31.940 -0.012 4.253 1.00 8.39 N ATOM 1731 CA CYS A 115 -31.746 1.418 4.496 1.00 7.72 C ATOM 1732 C CYS A 115 -32.785 2.267 3.798 1.00 7.93 C ATOM 1733 O CYS A 115 -33.303 3.230 4.369 1.00 8.41 O ATOM 1734 CB CYS A 115 -30.370 1.875 4.015 1.00 7.56 C ATOM 1735 SG CYS A 115 -28.999 1.014 4.809 1.00 7.72 S ATOM 1736 HA CYS A 115 -31.839 1.551 5.574 1.00 0.00 H ATOM 1737 HB2 CYS A 115 -30.271 2.941 4.219 1.00 0.00 H ATOM 1738 HB3 CYS A 115 -30.307 1.704 2.940 1.00 0.00 H ATOM 1739 HG CYS A 115 -27.752 0.522 4.481 1.00 0.00 H ATOM 1740 H CYS A 115 -31.900 -0.369 3.277 1.00 0.00 H ATOM 1741 N LYS A 116 -33.066 1.940 2.541 1.00 8.50 N ATOM 1742 CA LYS A 116 -33.967 2.734 1.722 1.00 9.60 C ATOM 1743 C LYS A 116 -35.310 2.887 2.412 1.00 10.79 C ATOM 1744 O LYS A 116 -35.916 1.908 2.841 1.00 11.02 O ATOM 1745 CB LYS A 116 -34.149 2.058 0.371 1.00 9.36 C ATOM 1746 CG LYS A 116 -35.025 2.812 -0.628 1.00 9.90 C ATOM 1747 CD LYS A 116 -35.143 2.015 -1.931 1.00 10.59 C ATOM 1748 CE LYS A 116 -35.804 2.816 -3.040 1.00 11.16 C ATOM 1749 NZ LYS A 116 -35.833 2.045 -4.316 1.00 11.21 N ATOM 1750 HA LYS A 116 -33.538 3.726 1.577 1.00 0.00 H ATOM 1751 HB2 LYS A 116 -33.163 1.929 -0.076 1.00 0.00 H ATOM 1752 HB3 LYS A 116 -34.599 1.080 0.542 1.00 0.00 H ATOM 1753 HG2 LYS A 116 -36.018 2.955 -0.201 1.00 0.00 H ATOM 1754 HG3 LYS A 116 -34.578 3.784 -0.839 1.00 0.00 H ATOM 1755 HD2 LYS A 116 -34.144 1.724 -2.256 1.00 0.00 H ATOM 1756 HD3 LYS A 116 -35.737 1.121 -1.742 1.00 0.00 H ATOM 1757 HE2 LYS A 116 -35.245 3.739 -3.194 1.00 0.00 H ATOM 1758 HE3 LYS A 116 -36.826 3.056 -2.746 1.00 0.00 H ATOM 1759 HZ1 LYS A 116 -34.860 1.817 -4.604 1.00 0.00 H ATOM 1760 HZ2 LYS A 116 -36.369 1.165 -4.176 1.00 0.00 H ATOM 1761 HZ3 LYS A 116 -36.290 2.617 -5.055 1.00 0.00 H ATOM 1762 H LYS A 116 -32.628 1.090 2.131 1.00 0.00 H ATOM 1763 N GLY A 117 -35.765 4.130 2.507 1.00 12.15 N ATOM 1764 CA GLY A 117 -37.044 4.439 3.132 1.00 13.42 C ATOM 1765 C GLY A 117 -37.034 4.600 4.639 1.00 13.37 C ATOM 1766 O GLY A 117 -38.023 5.063 5.195 1.00 14.94 O ATOM 1767 HA3 GLY A 117 -37.736 3.633 2.889 1.00 0.00 H ATOM 1768 HA2 GLY A 117 -37.408 5.371 2.701 1.00 0.00 H ATOM 1769 H GLY A 117 -35.191 4.908 2.123 1.00 0.00 H ATOM 1770 N THR A 118 -35.938 4.225 5.298 1.00 12.51 N ATOM 1771 CA THR A 118 -35.832 4.285 6.768 1.00 12.21 C ATOM 1772 C THR A 118 -35.277 5.628 7.238 1.00 12.06 C ATOM 1773 O THR A 118 -34.873 6.452 6.421 1.00 11.59 O ATOM 1774 CB THR A 118 -34.930 3.156 7.339 1.00 12.18 C ATOM 1775 OG1 THR A 118 -33.557 3.437 7.046 1.00 10.79 O ATOM 1776 CG2 THR A 118 -35.300 1.800 6.771 1.00 12.47 C ATOM 1777 HA THR A 118 -36.847 4.155 7.142 1.00 0.00 H ATOM 1778 HB THR A 118 -35.083 3.124 8.418 1.00 0.00 H ATOM 1779 HG1 THR A 118 -33.434 3.490 6.065 1.00 0.00 H ATOM 1780 HG23 THR A 118 -36.345 1.587 6.994 1.00 0.00 H ATOM 1781 HG21 THR A 118 -35.152 1.807 5.691 1.00 0.00 H ATOM 1782 HG22 THR A 118 -34.668 1.034 7.220 1.00 0.00 H ATOM 1783 H THR A 118 -35.124 3.876 4.753 1.00 0.00 H ATOM 1784 N ASP A 119 -35.262 5.846 8.556 1.00 12.23 N ATOM 1785 CA ASP A 119 -34.700 7.065 9.136 1.00 12.59 C ATOM 1786 C ASP A 119 -33.178 6.982 9.138 1.00 11.97 C ATOM 1787 O ASP A 119 -32.543 6.757 10.175 1.00 12.12 O ATOM 1788 CB ASP A 119 -35.252 7.286 10.550 1.00 13.38 C ATOM 1789 CG ASP A 119 -34.787 8.598 11.175 1.00 15.19 C ATOM 1790 OD1 ASP A 119 -34.329 9.510 10.454 1.00 16.87 O ATOM 1791 OD2 ASP A 119 -34.894 8.722 12.413 1.00 18.02 O ATOM 1792 HA ASP A 119 -34.993 7.922 8.530 1.00 0.00 H ATOM 1793 HB2 ASP A 119 -36.341 7.291 10.501 1.00 0.00 H ATOM 1794 HB3 ASP A 119 -34.922 6.463 11.184 1.00 0.00 H ATOM 1795 H ASP A 119 -35.663 5.126 9.190 1.00 0.00 H ATOM 1796 N VAL A 120 -32.590 7.177 7.963 1.00 11.13 N ATOM 1797 CA VAL A 120 -31.152 6.993 7.804 1.00 10.89 C ATOM 1798 C VAL A 120 -30.329 8.037 8.554 1.00 10.61 C ATOM 1799 O VAL A 120 -29.173 7.782 8.880 1.00 10.43 O ATOM 1800 CB VAL A 120 -30.721 6.920 6.314 1.00 11.17 C ATOM 1801 CG1 VAL A 120 -31.298 5.682 5.637 1.00 11.68 C ATOM 1802 CG2 VAL A 120 -31.113 8.177 5.556 1.00 11.92 C ATOM 1803 HA VAL A 120 -30.938 6.026 8.259 1.00 0.00 H ATOM 1804 HB VAL A 120 -29.634 6.846 6.294 1.00 0.00 H ATOM 1805 HG11 VAL A 120 -30.939 4.789 6.149 1.00 0.00 H ATOM 1806 HG12 VAL A 120 -32.386 5.717 5.685 1.00 0.00 H ATOM 1807 HG13 VAL A 120 -30.979 5.658 4.595 1.00 0.00 H ATOM 1808 HG21 VAL A 120 -32.195 8.301 5.596 1.00 0.00 H ATOM 1809 HG22 VAL A 120 -30.630 9.041 6.013 1.00 0.00 H ATOM 1810 HG23 VAL A 120 -30.794 8.088 4.517 1.00 0.00 H ATOM 1811 H VAL A 120 -33.163 7.465 7.145 1.00 0.00 H ATOM 1812 N GLN A 121 -30.926 9.191 8.865 1.00 11.31 N ATOM 1813 CA GLN A 121 -30.197 10.220 9.593 1.00 11.60 C ATOM 1814 C GLN A 121 -29.781 9.714 10.975 1.00 10.72 C ATOM 1815 O GLN A 121 -28.787 10.171 11.532 1.00 11.17 O ATOM 1816 CB GLN A 121 -30.995 11.527 9.658 1.00 12.38 C ATOM 1817 CG GLN A 121 -30.228 12.701 10.263 1.00 13.96 C ATOM 1818 CD GLN A 121 -30.269 12.707 11.783 1.00 14.82 C ATOM 1819 OE1 GLN A 121 -31.156 12.107 12.392 1.00 15.90 O ATOM 1820 NE2 GLN A 121 -29.303 13.377 12.401 1.00 15.67 N ATOM 1821 HA GLN A 121 -29.281 10.446 9.048 1.00 0.00 H ATOM 1822 HB2 GLN A 121 -31.291 11.798 8.644 1.00 0.00 H ATOM 1823 HB3 GLN A 121 -31.886 11.354 10.261 1.00 0.00 H ATOM 1824 HG2 GLN A 121 -29.188 12.641 9.942 1.00 0.00 H ATOM 1825 HG3 GLN A 121 -30.667 13.630 9.898 1.00 0.00 H ATOM 1826 HE22 GLN A 121 -28.574 13.869 11.846 1.00 0.00 H ATOM 1827 HE21 GLN A 121 -29.275 13.409 13.440 1.00 0.00 H ATOM 1828 H GLN A 121 -31.914 9.355 8.586 1.00 0.00 H ATOM 1829 N ALA A 122 -30.506 8.734 11.502 1.00 10.65 N ATOM 1830 CA ALA A 122 -30.138 8.140 12.784 1.00 11.09 C ATOM 1831 C ALA A 122 -28.717 7.572 12.780 1.00 11.08 C ATOM 1832 O ALA A 122 -28.080 7.495 13.832 1.00 11.35 O ATOM 1833 CB ALA A 122 -31.144 7.075 13.183 1.00 12.41 C ATOM 1834 HA ALA A 122 -30.155 8.939 13.525 1.00 0.00 H ATOM 1835 HB1 ALA A 122 -32.133 7.526 13.271 1.00 0.00 H ATOM 1836 HB2 ALA A 122 -31.165 6.294 12.423 1.00 0.00 H ATOM 1837 HB3 ALA A 122 -30.854 6.643 14.141 1.00 0.00 H ATOM 1838 H ALA A 122 -31.345 8.386 10.996 1.00 0.00 H ATOM 1839 N TRP A 123 -28.214 7.193 11.601 1.00 10.29 N ATOM 1840 CA TRP A 123 -26.859 6.658 11.476 1.00 10.52 C ATOM 1841 C TRP A 123 -25.762 7.678 11.734 1.00 10.93 C ATOM 1842 O TRP A 123 -24.621 7.295 11.975 1.00 10.91 O ATOM 1843 CB TRP A 123 -26.660 5.958 10.119 1.00 10.42 C ATOM 1844 CG TRP A 123 -27.427 4.706 10.091 1.00 10.75 C ATOM 1845 CD1 TRP A 123 -28.651 4.511 9.524 1.00 11.49 C ATOM 1846 CD2 TRP A 123 -27.081 3.479 10.741 1.00 11.01 C ATOM 1847 NE1 TRP A 123 -29.077 3.229 9.755 1.00 12.51 N ATOM 1848 CE2 TRP A 123 -28.141 2.575 10.509 1.00 12.23 C ATOM 1849 CE3 TRP A 123 -25.979 3.057 11.500 1.00 12.36 C ATOM 1850 CZ2 TRP A 123 -28.126 1.264 10.990 1.00 14.22 C ATOM 1851 CZ3 TRP A 123 -25.969 1.755 11.992 1.00 14.53 C ATOM 1852 CH2 TRP A 123 -27.041 0.878 11.734 1.00 14.17 C ATOM 1853 HA TRP A 123 -26.763 5.918 12.271 1.00 0.00 H ATOM 1854 HB2 TRP A 123 -27.005 6.613 9.319 1.00 0.00 H ATOM 1855 HB3 TRP A 123 -25.602 5.738 9.976 1.00 0.00 H ATOM 1856 HE1 TRP A 123 -29.969 2.819 9.412 1.00 0.00 H ATOM 1857 HD1 TRP A 123 -29.209 5.264 8.968 1.00 0.00 H ATOM 1858 HZ2 TRP A 123 -28.945 0.575 10.782 1.00 0.00 H ATOM 1859 HH2 TRP A 123 -27.007 -0.134 12.137 1.00 0.00 H ATOM 1860 HZ3 TRP A 123 -25.121 1.410 12.584 1.00 0.00 H ATOM 1861 HE3 TRP A 123 -25.149 3.734 11.700 1.00 0.00 H ATOM 1862 H TRP A 123 -28.803 7.281 10.748 1.00 0.00 H ATOM 1863 N ILE A 124 -26.108 8.966 11.701 1.00 11.48 N ATOM 1864 CA ILE A 124 -25.129 10.008 12.022 1.00 12.42 C ATOM 1865 C ILE A 124 -25.464 10.760 13.317 1.00 12.76 C ATOM 1866 O ILE A 124 -24.857 11.792 13.616 1.00 12.97 O ATOM 1867 CB ILE A 124 -24.839 10.969 10.824 1.00 13.03 C ATOM 1868 CG1 ILE A 124 -26.103 11.701 10.373 1.00 14.73 C ATOM 1869 CG2 ILE A 124 -24.220 10.195 9.656 1.00 14.08 C ATOM 1870 CD1 ILE A 124 -25.823 12.913 9.503 1.00 17.19 C ATOM 1871 HA ILE A 124 -24.193 9.482 12.211 1.00 0.00 H ATOM 1872 HB ILE A 124 -24.126 11.720 11.165 1.00 0.00 H ATOM 1873 HG12 ILE A 124 -26.722 11.005 9.807 1.00 0.00 H ATOM 1874 HG13 ILE A 124 -26.646 12.030 11.259 1.00 0.00 H ATOM 1875 HD11 ILE A 124 -25.214 13.625 10.059 1.00 0.00 H ATOM 1876 HD12 ILE A 124 -25.289 12.599 8.606 1.00 0.00 H ATOM 1877 HD13 ILE A 124 -26.766 13.382 9.221 1.00 0.00 H ATOM 1878 HG21 ILE A 124 -23.285 9.738 9.980 1.00 0.00 H ATOM 1879 HG22 ILE A 124 -24.911 9.418 9.329 1.00 0.00 H ATOM 1880 HG23 ILE A 124 -24.025 10.880 8.831 1.00 0.00 H ATOM 1881 H ILE A 124 -27.080 9.233 11.445 1.00 0.00 H ATOM 1882 N ARG A 125 -26.389 10.212 14.104 1.00 13.38 N ATOM 1883 CA ARG A 125 -26.749 10.801 15.397 1.00 14.70 C ATOM 1884 C ARG A 125 -25.511 10.918 16.285 1.00 15.20 C ATOM 1885 O ARG A 125 -24.699 9.995 16.372 1.00 15.90 O ATOM 1886 CB ARG A 125 -27.832 9.963 16.092 1.00 15.31 C ATOM 1887 CG ARG A 125 -27.303 8.709 16.763 1.00 18.61 C ATOM 1888 CD ARG A 125 -28.403 7.768 17.200 1.00 22.11 C ATOM 1889 NE ARG A 125 -27.838 6.486 17.615 1.00 25.57 N ATOM 1890 CZ ARG A 125 -28.542 5.379 17.838 1.00 27.48 C ATOM 1891 NH1 ARG A 125 -29.864 5.378 17.695 1.00 28.38 N ATOM 1892 NH2 ARG A 125 -27.918 4.267 18.207 1.00 28.64 N ATOM 1893 HA ARG A 125 -27.151 11.799 15.223 1.00 0.00 H ATOM 1894 HB2 ARG A 125 -28.311 10.582 16.850 1.00 0.00 H ATOM 1895 HB3 ARG A 125 -28.570 9.668 15.346 1.00 0.00 H ATOM 1896 HG2 ARG A 125 -26.655 8.185 16.060 1.00 0.00 H ATOM 1897 HG3 ARG A 125 -26.725 9.001 17.640 1.00 0.00 H ATOM 1898 HD2 ARG A 125 -29.090 7.607 16.369 1.00 0.00 H ATOM 1899 HD3 ARG A 125 -28.944 8.211 18.036 1.00 0.00 H ATOM 1900 HE ARG A 125 -26.808 6.435 17.746 1.00 0.00 H ATOM 1901 HH12 ARG A 125 -30.405 4.508 17.872 1.00 0.00 H ATOM 1902 HH11 ARG A 125 -30.356 6.247 17.407 1.00 0.00 H ATOM 1903 HH22 ARG A 125 -28.463 3.399 18.383 1.00 0.00 H ATOM 1904 HH21 ARG A 125 -26.884 4.264 18.320 1.00 0.00 H ATOM 1905 H ARG A 125 -26.868 9.343 13.793 1.00 0.00 H ATOM 1906 N GLY A 126 -25.369 12.067 16.931 1.00 15.37 N ATOM 1907 CA GLY A 126 -24.273 12.284 17.867 1.00 15.78 C ATOM 1908 C GLY A 126 -22.917 12.610 17.273 1.00 15.74 C ATOM 1909 O GLY A 126 -21.993 12.970 18.006 1.00 16.75 O ATOM 1910 HA3 GLY A 126 -24.163 11.377 18.461 1.00 0.00 H ATOM 1911 HA2 GLY A 126 -24.555 13.111 18.518 1.00 0.00 H ATOM 1912 H GLY A 126 -26.055 12.831 16.766 1.00 0.00 H ATOM 1913 N CYS A 127 -22.782 12.486 15.954 1.00 14.96 N ATOM 1914 CA CYS A 127 -21.507 12.767 15.302 1.00 14.78 C ATOM 1915 C CYS A 127 -21.287 14.274 15.157 1.00 15.40 C ATOM 1916 O CYS A 127 -22.244 15.030 14.931 1.00 16.10 O ATOM 1917 CB CYS A 127 -21.439 12.090 13.931 1.00 13.81 C ATOM 1918 SG CYS A 127 -21.825 10.313 13.905 1.00 13.00 S ATOM 1919 HA CYS A 127 -20.714 12.362 15.931 1.00 0.00 H ATOM 1920 HB2 CYS A 127 -20.428 12.219 13.544 1.00 0.00 H ATOM 1921 HB3 CYS A 127 -22.146 12.596 13.273 1.00 0.00 H ATOM 1922 HG CYS A 127 -23.133 10.444 14.326 1.00 0.00 H ATOM 1923 H CYS A 127 -23.596 12.185 15.381 1.00 0.00 H ATOM 1924 N ARG A 128 -20.035 14.703 15.321 1.00 15.78 N ATOM 1925 CA ARG A 128 -19.655 16.109 15.161 1.00 16.16 C ATOM 1926 C ARG A 128 -18.892 16.304 13.855 1.00 16.16 C ATOM 1927 O ARG A 128 -17.801 15.754 13.673 1.00 16.29 O ATOM 1928 CB ARG A 128 -18.798 16.586 16.336 1.00 16.31 C ATOM 1929 CG ARG A 128 -18.447 18.068 16.281 1.00 16.43 C ATOM 1930 CD ARG A 128 -19.677 18.938 16.488 1.00 16.49 C ATOM 1931 NE ARG A 128 -19.348 20.360 16.484 1.00 17.44 N ATOM 1932 CZ ARG A 128 -19.466 21.148 15.424 1.00 18.41 C ATOM 1933 NH1 ARG A 128 -19.139 22.429 15.514 1.00 19.44 N ATOM 1934 NH2 ARG A 128 -19.917 20.654 14.279 1.00 18.65 N ATOM 1935 HA ARG A 128 -20.569 16.702 15.138 1.00 0.00 H ATOM 1936 HB2 ARG A 128 -19.345 16.396 17.260 1.00 0.00 H ATOM 1937 HB3 ARG A 128 -17.871 16.013 16.340 1.00 0.00 H ATOM 1938 HG2 ARG A 128 -17.720 18.290 17.062 1.00 0.00 H ATOM 1939 HG3 ARG A 128 -18.012 18.294 15.307 1.00 0.00 H ATOM 1940 HD2 ARG A 128 -20.131 18.684 17.446 1.00 0.00 H ATOM 1941 HD3 ARG A 128 -20.388 18.739 15.686 1.00 0.00 H ATOM 1942 HE ARG A 128 -18.999 20.782 17.368 1.00 0.00 H ATOM 1943 HH12 ARG A 128 -19.231 23.049 14.684 1.00 0.00 H ATOM 1944 HH11 ARG A 128 -18.791 22.815 16.415 1.00 0.00 H ATOM 1945 HH22 ARG A 128 -20.010 21.271 13.447 1.00 0.00 H ATOM 1946 HH21 ARG A 128 -20.178 19.649 14.213 1.00 0.00 H ATOM 1947 H ARG A 128 -19.299 14.012 15.572 1.00 0.00 H TER 1948 ARG A 128 HETATM 1949 O HOH 1 -28.671 11.632 6.778 1.00 6.97 O HETATM 1950 O HOH 2 -31.200 8.608 -7.511 1.00 6.05 O HETATM 1951 O HOH 3 -11.618 -10.811 -13.504 1.00 13.39 O HETATM 1952 O HOH 4 -12.498 -10.621 3.885 1.00 8.81 O HETATM 1953 O HOH 5 -9.429 -18.059 -6.301 1.00 14.56 O HETATM 1954 O HOH 6 -27.791 -7.710 4.257 1.00 12.34 O HETATM 1955 O HOH 7 -14.212 -13.234 -7.679 1.00 8.57 O HETATM 1956 O HOH 8 -30.890 11.629 0.922 1.00 10.79 O HETATM 1957 O HOH 9 -15.717 -0.916 -0.865 1.00 9.73 O HETATM 1958 O HOH 10 -32.131 -4.354 8.807 1.00 10.77 O HETATM 1959 O HOH 11 -10.341 -5.021 9.464 1.00 10.81 O HETATM 1960 O HOH 12 -37.773 3.410 -6.215 1.00 14.18 O HETATM 1961 O HOH 13 -9.748 -5.248 12.183 1.00 14.56 O HETATM 1962 O HOH 14 -12.618 -1.113 2.180 1.00 12.20 O HETATM 1963 O HOH 15 -33.189 6.297 1.824 1.00 13.57 O HETATM 1964 O HOH 16 -23.846 -5.265 9.809 1.00 15.08 O HETATM 1965 O HOH 17 -27.573 6.829 -10.814 1.00 13.08 O HETATM 1966 O HOH 18 -19.212 6.433 16.653 1.00 16.54 O HETATM 1967 O HOH 19 -17.779 -0.167 14.374 1.00 13.39 O HETATM 1968 O HOH 20 -31.858 2.819 9.141 1.00 13.79 O HETATM 1969 O HOH 21 -36.700 4.018 10.302 1.00 17.67 O HETATM 1970 O HOH 22 -12.507 -8.816 -11.718 1.00 11.32 O HETATM 1971 O HOH 23 -18.817 -2.484 13.417 1.00 16.24 O HETATM 1972 O HOH 24 -6.497 1.977 -2.018 1.00 17.93 O HETATM 1973 O HOH 25 -32.921 9.390 2.622 1.00 14.15 O HETATM 1974 O HOH 26 -33.570 10.188 7.837 1.00 18.89 O HETATM 1975 O HOH 27 -25.132 -7.420 3.368 1.00 12.42 O HETATM 1976 O HOH 28 -22.235 -9.580 -9.831 1.00 13.59 O HETATM 1977 O HOH 29 -8.402 4.390 -11.452 1.00 27.43 O HETATM 1978 O HOH 30 -11.493 1.331 2.251 1.00 13.88 O HETATM 1979 O HOH 31 -9.009 5.360 -6.887 1.00 24.17 O HETATM 1980 O HOH 32 -11.178 -7.027 -14.770 1.00 21.48 O HETATM 1981 O HOH 33 -6.765 -13.344 -14.743 1.00 16.63 O HETATM 1982 O HOH 34 -24.201 -6.866 7.438 1.00 14.10 O HETATM 1983 O HOH 35 -23.822 -7.176 -0.735 1.00 17.46 O HETATM 1984 O HOH 36 -17.336 -7.564 8.033 1.00 15.96 O HETATM 1985 O HOH 37 -4.527 -0.578 4.404 1.00 25.35 O HETATM 1986 O HOH 38 -17.051 -5.170 11.718 1.00 16.58 O HETATM 1987 O HOH 39 -11.420 2.490 13.808 1.00 21.61 O HETATM 1988 O HOH 40 -19.223 -12.804 -13.001 1.00 19.63 O HETATM 1989 O HOH 41 -21.810 -8.716 0.366 1.00 16.52 O HETATM 1990 O HOH 42 -23.583 14.929 -6.702 1.00 19.28 O HETATM 1991 O HOH 43 -21.201 6.091 -13.683 1.00 28.49 O HETATM 1992 O HOH 44 -22.254 14.535 -9.190 1.00 25.38 O HETATM 1993 O HOH 45 -16.511 -7.457 10.641 1.00 15.18 O HETATM 1994 O HOH 46 -22.949 12.202 -10.347 1.00 20.58 O HETATM 1995 O HOH 47 -38.332 1.206 4.110 1.00 22.25 O HETATM 1996 O HOH 48 -14.979 -5.677 -12.921 1.00 13.89 O HETATM 1997 O HOH 49 -26.782 14.596 15.797 1.00 19.74 O HETATM 1998 O HOH 50 -37.766 0.121 -3.463 1.00 20.10 O HETATM 1999 O HOH 51 -26.275 2.805 -9.811 1.00 16.21 O HETATM 2000 O HOH 52 -22.072 -10.885 -1.284 1.00 16.99 O HETATM 2001 O HOH 53 -32.682 4.242 11.359 1.00 19.53 O HETATM 2002 O HOH 54 -23.245 -10.995 -7.536 1.00 19.52 O HETATM 2003 O HOH 55 -31.393 0.223 10.493 1.00 20.16 O HETATM 2004 O HOH 56 -11.834 11.842 8.169 1.00 16.48 O HETATM 2005 O HOH 57 -10.184 7.312 5.191 1.00 13.50 O HETATM 2006 O HOH 58 -38.397 2.541 8.763 1.00 24.03 O HETATM 2007 O HOH 59 -6.665 -3.102 8.927 1.00 20.99 O HETATM 2008 O HOH 60 -5.535 2.751 -4.434 1.00 24.67 O HETATM 2009 O HOH 61 -15.074 9.117 -9.009 1.00 24.75 O HETATM 2010 O HOH 62 -30.712 14.388 0.808 1.00 19.19 O HETATM 2011 O HOH 63 -39.362 7.170 3.586 1.00 26.82 O HETATM 2012 O HOH 64 -19.464 8.590 18.469 1.00 30.50 O HETATM 2013 O HOH 65 -12.793 -11.267 -17.153 1.00 29.46 O HETATM 2014 O HOH 66 -7.157 10.649 -0.166 1.00 26.57 O HETATM 2015 O HOH 67 -9.517 -10.207 -15.165 1.00 25.28 O HETATM 2016 O HOH 68 -26.071 17.225 -4.013 1.00 22.53 O HETATM 2017 O HOH 69 -23.053 -9.320 2.920 1.00 21.91 O HETATM 2018 O HOH 70 -15.108 -2.161 -19.330 1.00 20.63 O HETATM 2019 O HOH 71 -24.560 -3.507 15.504 1.00 34.25 O HETATM 2020 O HOH 72 -26.633 15.778 -6.580 1.00 24.53 O HETATM 2021 O HOH 73 -16.661 -0.020 16.864 1.00 26.79 O HETATM 2022 O HOH 74 -24.540 14.442 13.647 1.00 24.61 O HETATM 2023 O HOH 75 -19.988 -8.366 4.862 1.00 22.61 O HETATM 2024 O HOH 76 -7.675 5.604 -9.208 1.00 34.62 O HETATM 2025 O HOH 77 -30.653 -3.997 -5.427 1.00 28.84 O HETATM 2026 O HOH 78 -28.033 -4.004 -7.394 1.00 27.61 O HETATM 2027 O HOH 79 -18.868 -8.353 -19.486 1.00 22.72 O HETATM 2028 O HOH 80 -37.733 5.641 12.236 1.00 35.37 O HETATM 2029 O HOH 81 -12.101 -18.004 -12.062 1.00 28.74 O HETATM 2030 O HOH 82 -2.205 -3.802 -6.518 1.00 28.18 O HETATM 2031 O HOH 83 -19.237 11.541 18.255 1.00 28.47 O HETATM 2032 O HOH 84 -20.066 -11.105 -19.803 1.00 34.05 O HETATM 2033 O HOH 85 -16.513 6.675 15.882 1.00 11.37 O HETATM 2034 O HOH 86 -22.956 0.862 14.682 1.00 14.36 O HETATM 2035 O HOH 87 -38.430 0.901 -0.783 1.00 18.08 O HETATM 2036 O HOH 88 -40.939 3.721 1.716 1.00 25.53 O HETATM 2037 O HOH 89 -9.464 -17.691 -12.146 1.00 25.87 O HETATM 2038 O HOH 90 -38.502 3.545 0.249 1.00 15.70 O HETATM 2039 O HOH 91 -19.433 -13.887 -18.289 1.00 34.35 O HETATM 2040 O HOH 92 -26.994 14.562 6.737 1.00 31.59 O HETATM 2041 O HOH 93 -28.717 0.703 -15.081 1.00 32.90 O HETATM 2042 O HOH 94 -23.616 15.928 9.179 1.00 35.64 O HETATM 2043 O HOH 95 -14.353 5.234 17.052 1.00 34.72 O HETATM 2044 O HOH 96 -14.847 16.553 -0.846 1.00 22.17 O HETATM 2045 O HOH 97 -33.216 14.421 3.124 1.00 29.03 O HETATM 2046 O HOH 98 -31.262 15.450 4.596 1.00 32.26 O HETATM 2047 O HOH 99 -32.290 11.939 3.443 1.00 18.30 O HETATM 2048 O HOH 100 -16.418 -7.886 -21.017 1.00 31.80 O HETATM 2049 O HOH 101 -4.381 0.481 -6.912 1.00 37.42 O HETATM 2050 O HOH 102 -13.440 -2.748 16.492 1.00 30.11 O HETATM 2051 O HOH 103 -34.147 1.991 -9.842 1.00 30.25 O HETATM 2052 O HOH 104 -22.759 9.005 20.028 1.00 36.16 O HETATM 2053 O HOH 105 -24.787 -9.024 -13.037 1.00 14.38 O HETATM 2054 O HOH 106 -15.658 15.602 11.478 1.00 18.48 O HETATM 2055 O HOH 107 -21.897 16.455 -4.596 1.00 32.52 O HETATM 2056 O HOH 108 -29.345 16.001 2.784 1.00 28.94 O HETATM 2057 O HOH 109 -17.561 -4.814 14.478 1.00 20.56 O HETATM 2058 O HOH 110 -29.087 8.843 -14.394 1.00 30.04 O HETATM 2059 O HOH 111 -26.703 -4.849 -17.116 1.00 23.09 O HETATM 2060 O HOH 112 -32.833 -1.603 8.822 1.00 13.34 O HETATM 2061 O HOH 113 -38.131 7.459 6.968 1.00 31.19 O HETATM 2062 O HOH 114 -32.840 -2.675 -8.144 1.00 44.75 O HETATM 2063 O HOH 115 -3.767 3.977 5.123 1.00 36.60 O HETATM 2064 O HOH 116 -11.450 -13.898 -15.589 1.00 38.12 O HETATM 2065 O HOH 117 -19.852 -16.150 2.207 1.00 35.44 O HETATM 2066 O HOH 118 -40.462 3.305 4.691 1.00 33.92 O HETATM 2067 O HOH 119 -20.253 -8.268 11.330 1.00 32.64 O HETATM 2068 O HOH 120 -11.016 -5.425 14.490 1.00 19.57 O HETATM 2069 O HOH 121 -2.758 -1.254 -5.509 1.00 34.96 O HETATM 2070 O HOH 122 -11.285 3.900 -7.142 1.00 16.49 O HETATM 2071 O HOH 123 -9.195 -5.049 -16.293 1.00 31.71 O HETATM 2072 O HOH 124 -36.684 -1.254 -0.618 1.00 25.99 O HETATM 2073 O HOH 125 -13.203 -0.171 15.761 1.00 32.67 O HETATM 2074 O HOH 126 -11.005 -3.010 15.649 1.00 27.22 O HETATM 2075 O HOH 127 -15.402 -5.305 15.882 1.00 22.94 O HETATM 2076 O HOH 128 -24.028 18.710 5.649 1.00 38.70 O HETATM 2077 O HOH 129 -4.092 -2.868 -3.416 1.00 31.31 O HETATM 2078 O HOH 130 -6.881 -2.168 -12.631 1.00 24.01 O HETATM 2079 O HOH 131 -5.737 -4.493 -11.795 1.00 24.23 O HETATM 2080 O HOH 132 -30.857 17.299 -1.806 1.00 26.58 O HETATM 2081 O HOH 133 -30.490 12.949 -8.780 1.00 23.98 O HETATM 2082 O HOH 134 -37.236 8.531 3.390 1.00 19.23 O HETATM 2083 O HOH 135 -21.057 -6.332 -19.370 1.00 21.89 O HETATM 2084 O HOH 136 -34.792 7.370 3.763 1.00 16.90 O HETATM 2085 O HOH 137 -36.019 0.491 -7.131 1.00 29.75 O HETATM 2086 O HOH 138 -23.559 -6.811 -19.673 1.00 35.47 O HETATM 2087 O HOH 139 -22.700 3.219 16.788 1.00 27.42 O HETATM 2088 O HOH 140 -21.744 -5.492 -22.810 1.00 36.91 O HETATM 2089 O HOH 141 -8.671 9.246 3.862 1.00 35.20 O HETATM 2090 O HOH 142 -12.269 9.374 9.779 1.00 18.00 O HETATM 2091 O HOH 143 -10.230 7.872 10.617 1.00 20.84 O HETATM 2092 O HOH 144 -19.498 15.862 -3.465 1.00 23.95 O HETATM 2093 O HOH 145 -17.979 12.904 16.255 1.00 17.55 O HETATM 2094 O HOH 146 -30.833 2.519 -15.043 1.00 37.75 O HETATM 2095 O HOH 147 -12.231 4.603 -9.517 1.00 19.38 O HETATM 2096 O HOH 148 -18.014 12.625 13.375 1.00 23.77 O HETATM 2097 O HOH 149 -10.513 9.431 7.477 1.00 24.51 O HETATM 2098 O HOH 150 -8.958 -6.913 15.786 1.00 35.43 O HETATM 2099 O HOH 151 -27.407 -7.553 -13.665 1.00 25.78 O HETATM 2100 O HOH 152 -18.831 -18.688 -6.252 1.00 36.39 O HETATM 2101 O HOH 153 -21.053 -2.787 15.033 1.00 28.42 O HETATM 2102 O HOH 154 -5.663 4.755 6.939 1.00 37.55 O HETATM 2103 O HOH 155 -24.045 -13.599 -8.303 1.00 15.52 O HETATM 2104 O HOH 156 -24.544 -14.941 -4.624 1.00 29.24 O HETATM 2105 O HOH 157 -9.855 -1.562 13.447 1.00 19.57 O HETATM 2106 O HOH 158 -10.806 1.887 -0.382 1.00 14.22 O HETATM 2107 O HOH 159 -7.910 4.111 -0.865 1.00 13.75 O HETATM 2108 O HOH 160 -11.844 12.167 -2.525 1.00 43.58 O HETATM 2109 O HOH 161 -23.453 -11.239 -17.266 1.00 27.86 O HETATM 2110 O HOH 162 -8.615 5.191 7.828 1.00 25.88 O HETATM 2111 O HOH 163 -27.361 1.626 -12.877 1.00 23.13 O HETATM 2112 O HOH 164 -17.557 13.134 -8.688 1.00 31.90 O HETATM 2113 O HOH 165 -12.014 -19.039 -8.430 1.00 26.53 O HETATM 2114 O HOH 166 -19.120 3.285 16.647 1.00 24.01 O HETATM 2115 O HOH 167 -17.184 14.818 -5.479 1.00 28.29 O HETATM 2116 O HOH 168 -9.269 15.365 2.554 1.00 24.42 O HETATM 2117 O HOH 169 -7.762 -3.255 12.632 1.00 28.51 O HETATM 2118 O HOH 170 -21.055 -12.753 -14.881 1.00 30.93 O HETATM 2119 O HOH 171 -5.462 1.034 9.930 1.00 40.39 O HETATM 2120 C1 NOJ A 172 -23.784 -8.789 -3.884 1.00 -0.00 C HETATM 2121 C2 NOJ A 172 -24.882 -8.759 -4.946 1.00 0.12 C HETATM 2122 O2 NOJ A 172 -25.060 -10.066 -5.507 1.00 -0.38 O HETATM 2123 H4 NOJ A 172 -24.247 -10.351 -5.906 1.00 0.21 H HETATM 2124 C3 NOJ A 172 -24.517 -7.806 -6.074 1.00 0.12 C HETATM 2125 O3 NOJ A 172 -25.623 -7.752 -6.988 1.00 -0.39 O HETATM 2126 H6 NOJ A 172 -25.414 -7.160 -7.702 1.00 0.21 H HETATM 2127 C4 NOJ A 172 -24.176 -6.397 -5.569 1.00 0.13 C HETATM 2128 O4 NOJ A 172 -23.526 -5.680 -6.620 1.00 -0.34 O HETATM 2129 C1 NOJ A 172 -24.334 -5.007 -7.589 1.00 0.19 C HETATM 2130 C2 NOJ A 172 -23.487 -3.863 -8.104 1.00 0.12 C HETATM 2131 C3 NOJ A 172 -24.288 -3.116 -9.173 1.00 0.11 C HETATM 2132 C4 NOJ A 172 -24.897 -4.029 -10.260 1.00 0.12 C HETATM 2133 C5 NOJ A 172 -25.574 -5.230 -9.600 1.00 0.11 C HETATM 2134 C6 NOJ A 172 -26.016 -6.305 -10.590 1.00 0.07 C HETATM 2135 O6 NOJ A 172 -26.401 -7.446 -9.858 1.00 -0.39 O HETATM 2136 H26 NOJ A 172 -25.663 -7.756 -9.346 1.00 0.21 H HETATM 2137 H19 NOJ A 172 -25.183 -6.558 -11.262 1.00 0.06 H HETATM 2138 H20 NOJ A 172 -26.867 -5.938 -11.183 1.00 0.06 H HETATM 2139 O5 NOJ A 172 -24.695 -5.838 -8.674 1.00 -0.34 O HETATM 2140 H18 NOJ A 172 -26.463 -4.864 -9.065 1.00 0.06 H HETATM 2141 O4 NOJ A 172 -25.868 -3.331 -11.022 1.00 -0.34 O HETATM 2142 C1 NOJ A 172 -25.558 -3.253 -12.425 1.00 0.19 C HETATM 2143 C2 NOJ A 172 -26.857 -3.000 -13.212 1.00 0.12 C HETATM 2144 C3 NOJ A 172 -26.572 -2.669 -14.682 1.00 0.11 C HETATM 2145 C4 NOJ A 172 -25.478 -1.615 -14.830 1.00 0.11 C HETATM 2146 C5 NOJ A 172 -24.253 -1.996 -13.998 1.00 0.11 C HETATM 2147 C6 NOJ A 172 -23.240 -0.867 -14.003 1.00 0.07 C HETATM 2148 O6 NOJ A 172 -23.801 0.231 -13.308 1.00 -0.39 O HETATM 2149 H40 NOJ A 172 -23.180 0.950 -13.300 1.00 0.21 H HETATM 2150 H32 NOJ A 172 -23.012 -0.575 -15.039 1.00 0.06 H HETATM 2151 H33 NOJ A 172 -22.316 -1.193 -13.502 1.00 0.06 H HETATM 2152 O5 NOJ A 172 -24.636 -2.213 -12.655 1.00 -0.34 O HETATM 2153 H31 NOJ A 172 -23.799 -2.908 -14.412 1.00 0.06 H HETATM 2154 O4 NOJ A 172 -25.120 -1.473 -16.190 1.00 -0.39 O HETATM 2155 H39 NOJ A 172 -25.889 -1.236 -16.696 1.00 0.21 H HETATM 2156 H30 NOJ A 172 -25.865 -0.652 -14.465 1.00 0.06 H HETATM 2157 O3 NOJ A 172 -27.748 -2.216 -15.326 1.00 -0.39 O HETATM 2158 H38 NOJ A 172 -28.033 -1.403 -14.927 1.00 0.21 H HETATM 2159 H29 NOJ A 172 -26.233 -3.590 -15.179 1.00 0.06 H HETATM 2160 N2 NOJ A 172 -27.767 -4.135 -13.143 1.00 -0.28 N HETATM 2161 C7 NOJ A 172 -28.848 -4.169 -12.359 1.00 0.17 C HETATM 2162 C8 NOJ A 172 -29.682 -5.416 -12.418 1.00 0.03 C HETATM 2163 H34 NOJ A 172 -30.536 -5.319 -11.731 1.00 0.05 H HETATM 2164 H35 NOJ A 172 -29.070 -6.281 -12.122 1.00 0.05 H HETATM 2165 H36 NOJ A 172 -30.051 -5.562 -13.444 1.00 0.05 H HETATM 2166 O7 NOJ A 172 -29.179 -3.254 -11.604 1.00 -0.40 O HETATM 2167 H37 NOJ A 172 -27.572 -4.933 -13.714 1.00 0.19 H HETATM 2168 H28 NOJ A 172 -27.358 -2.133 -12.757 1.00 0.06 H HETATM 2169 H27 NOJ A 172 -25.115 -4.205 -12.753 1.00 0.09 H HETATM 2170 H17 NOJ A 172 -24.095 -4.379 -10.926 1.00 0.07 H HETATM 2171 O3 NOJ A 172 -23.456 -2.148 -9.742 1.00 -0.39 O HETATM 2172 H25 NOJ A 172 -23.960 -1.613 -10.343 1.00 0.21 H HETATM 2173 H16 NOJ A 172 -25.123 -2.605 -8.671 1.00 0.06 H HETATM 2174 N2 NOJ A 172 -23.170 -3.029 -6.957 1.00 -0.28 N HETATM 2175 C7 NOJ A 172 -21.941 -2.821 -6.484 1.00 0.17 C HETATM 2176 C8 NOJ A 172 -21.841 -1.954 -5.268 1.00 0.03 C HETATM 2177 H21 NOJ A 172 -20.786 -1.856 -4.973 1.00 0.05 H HETATM 2178 H22 NOJ A 172 -22.411 -2.410 -4.445 1.00 0.05 H HETATM 2179 H23 NOJ A 172 -22.253 -0.959 -5.492 1.00 0.05 H HETATM 2180 O7 NOJ A 172 -20.916 -3.291 -6.978 1.00 -0.40 O HETATM 2181 H24 NOJ A 172 -23.929 -2.578 -6.488 1.00 0.19 H HETATM 2182 H15 NOJ A 172 -22.556 -4.245 -8.550 1.00 0.06 H HETATM 2183 H14 NOJ A 172 -25.247 -4.625 -7.110 1.00 0.09 H HETATM 2184 C5 NOJ A 172 -23.231 -6.364 -4.357 1.00 0.03 C HETATM 2185 N5 NOJ A 172 -23.483 -7.447 -3.416 1.00 0.23 N HETATM 2186 H9 NOJ A 172 -22.660 -7.522 -2.839 1.00 0.20 H HETATM 2187 H10 NOJ A 172 -24.265 -7.159 -2.850 1.00 0.20 H HETATM 2188 C6 NOJ A 172 -23.283 -5.028 -3.608 1.00 0.09 C HETATM 2189 O6 NOJ A 172 -24.518 -4.868 -2.893 1.00 -0.39 O HETATM 2190 H13 NOJ A 172 -24.515 -4.032 -2.442 1.00 0.21 H HETATM 2191 H11 NOJ A 172 -23.183 -4.208 -4.334 1.00 0.06 H HETATM 2192 H12 NOJ A 172 -22.449 -4.988 -2.892 1.00 0.06 H HETATM 2193 H8 NOJ A 172 -22.209 -6.490 -4.744 1.00 0.09 H HETATM 2194 H7 NOJ A 172 -25.114 -5.891 -5.297 1.00 0.07 H HETATM 2195 H5 NOJ A 172 -23.636 -8.205 -6.599 1.00 0.06 H HETATM 2196 H3 NOJ A 172 -25.822 -8.429 -4.479 1.00 0.07 H HETATM 2197 H1 NOJ A 172 -22.875 -9.232 -4.317 1.00 0.08 H HETATM 2198 H2 NOJ A 172 -24.121 -9.400 -3.034 1.00 0.08 H CONECT 1 2 22 23 24 CONECT 22 1 CONECT 23 1 CONECT 24 1 CONECT 97 96 101 1918 CONECT 467 466 471 1735 CONECT 990 989 994 1219 CONECT 1161 1160 1165 1407 CONECT 1219 990 1218 1223 CONECT 1407 1161 1406 1411 CONECT 1735 467 1734 1739 CONECT 1918 97 1917 1922 CONECT 2120 2121 2185 2197 2198 CONECT 2121 2120 2122 2124 2196 CONECT 2122 2121 2123 CONECT 2123 2122 CONECT 2124 2121 2125 2127 2195 CONECT 2125 2124 2126 CONECT 2126 2125 CONECT 2127 2124 2128 2184 2194 CONECT 2128 2127 2129 CONECT 2129 2128 2130 2139 2183 CONECT 2130 2129 2131 2174 2182 CONECT 2131 2130 2132 2171 2173 CONECT 2132 2131 2133 2141 2170 CONECT 2133 2132 2134 2139 2140 CONECT 2134 2133 2135 2137 2138 CONECT 2135 2134 2136 CONECT 2136 2135 CONECT 2137 2134 CONECT 2138 2134 CONECT 2139 2129 2133 CONECT 2140 2133 CONECT 2141 2132 2142 CONECT 2142 2141 2143 2152 2169 CONECT 2143 2142 2144 2160 2168 CONECT 2144 2143 2145 2157 2159 CONECT 2145 2144 2146 2154 2156 CONECT 2146 2145 2147 2152 2153 CONECT 2147 2146 2148 2150 2151 CONECT 2148 2147 2149 CONECT 2149 2148 CONECT 2150 2147 CONECT 2151 2147 CONECT 2152 2142 2146 CONECT 2153 2146 CONECT 2154 2145 2155 CONECT 2155 2154 CONECT 2156 2145 CONECT 2157 2144 2158 CONECT 2158 2157 CONECT 2159 2144 CONECT 2160 2143 2161 2167 CONECT 2161 2160 2162 2166 CONECT 2162 2161 2163 2164 2165 CONECT 2163 2162 CONECT 2164 2162 CONECT 2165 2162 CONECT 2166 2161 CONECT 2167 2160 CONECT 2168 2143 CONECT 2169 2142 CONECT 2170 2132 CONECT 2171 2131 2172 CONECT 2172 2171 CONECT 2173 2131 CONECT 2174 2130 2175 2181 CONECT 2175 2174 2176 2180 CONECT 2176 2175 2177 2178 2179 CONECT 2177 2176 CONECT 2178 2176 CONECT 2179 2176 CONECT 2180 2175 CONECT 2181 2174 CONECT 2182 2130 CONECT 2183 2129 CONECT 2184 2127 2185 2188 2193 CONECT 2185 2120 2184 2186 2187 CONECT 2186 2185 CONECT 2187 2185 CONECT 2188 2184 2189 2191 2192 CONECT 2189 2188 2190 CONECT 2190 2189 CONECT 2191 2188 CONECT 2192 2188 CONECT 2193 2184 CONECT 2194 2127 CONECT 2195 2124 CONECT 2196 2121 CONECT 2197 2120 CONECT 2198 2120 MASTER 0 0 0 0 0 0 0 0 2197 1 91 10 END
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Structure:
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Ligand 3D
Protein
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Related entries of code: 4hpi
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1at5
RCSB PDB
PDBbind
129aa, >1AT5_1|Chain... at 98%
1at6
RCSB PDB
PDBbind
129aa, >1AT6_1|Chain... at 100%
1bql
RCSB PDB
PDBbind
129aa, >1BQL_3|Chain... at 96%
1dqj
RCSB PDB
PDBbind
129aa, >1DQJ_3|Chain... at 100%
1dzb
RCSB PDB
PDBbind
129aa, >1DZB_2|Chains... at 94%
1f3j
RCSB PDB
PDBbind
14aa, >1F3J_3|Chains... at 100%
1mlc
RCSB PDB
PDBbind
129aa, >1MLC_3|Chains... at 100%
1p2c
RCSB PDB
PDBbind
129aa, >1P2C_3|Chains... at 100%
2iff
RCSB PDB
PDBbind
129aa, >2IFF_3|Chain... at 99%
3g3a
RCSB PDB
PDBbind
129aa, >3G3A_2|Chains... at 100%
3g3b
RCSB PDB
PDBbind
129aa, >3G3B_2|Chains... at 100%
3m18
RCSB PDB
PDBbind
129aa, >3M18_2|Chain... at 100%
4hp0
RCSB PDB
PDBbind
129aa, >4HP0_1|Chain... at 100%
4tun
RCSB PDB
PDBbind
129aa, >4TUN_1|Chains... at 100%
4z46
RCSB PDB
PDBbind
129aa, >4Z46_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1a1b
RCSB PDB
PDBbind
3-mer
1a1c
RCSB PDB
PDBbind
3-mer
1a30
RCSB PDB
PDBbind
3-mer
1at5
RCSB PDB
PDBbind
3-mer
1at6
RCSB PDB
PDBbind
3-mer
1b05
RCSB PDB
PDBbind
3-mer
1b0h
RCSB PDB
PDBbind
3-mer
1b1h
RCSB PDB
PDBbind
3-mer
1b2h
RCSB PDB
PDBbind
3-mer
1b32
RCSB PDB
PDBbind
3-mer
1b3f
RCSB PDB
PDBbind
3-mer
1b3g
RCSB PDB
PDBbind
3-mer
1b3h
RCSB PDB
PDBbind
3-mer
1b3l
RCSB PDB
PDBbind
3-mer
1b40
RCSB PDB
PDBbind
3-mer
1b46
RCSB PDB
PDBbind
3-mer
1b4h
RCSB PDB
PDBbind
3-mer
1b4z
RCSB PDB
PDBbind
3-mer
1b51
RCSB PDB
PDBbind
3-mer
1b52
RCSB PDB
PDBbind
3-mer
1b58
RCSB PDB
PDBbind
3-mer
1b5h
RCSB PDB
PDBbind
3-mer
1b5i
RCSB PDB
PDBbind
3-mer
1b5j
RCSB PDB
PDBbind
3-mer
1b6h
RCSB PDB
PDBbind
3-mer
1b7h
RCSB PDB
PDBbind
3-mer
1b9j
RCSB PDB
PDBbind
3-mer
1bm6
RCSB PDB
PDBbind
3-mer
1eub
RCSB PDB
PDBbind
3-mer
1fwu
RCSB PDB
PDBbind
3-mer
1fwv
RCSB PDB
PDBbind
3-mer
1gmy
RCSB PDB
PDBbind
3-mer
1hkj
RCSB PDB
PDBbind
3-mer
1hkk
RCSB PDB
PDBbind
3-mer
1hkm
RCSB PDB
PDBbind
3-mer
1jet
RCSB PDB
PDBbind
3-mer
1jeu
RCSB PDB
PDBbind
3-mer
1jev
RCSB PDB
PDBbind
3-mer
1jlx
RCSB PDB
PDBbind
3-mer
1jrs
RCSB PDB
PDBbind
3-mer
1kjr
RCSB PDB
PDBbind
3-mer
1kug
RCSB PDB
PDBbind
3-mer
1kui
RCSB PDB
PDBbind
3-mer
1kuk
RCSB PDB
PDBbind
3-mer
1ll4
RCSB PDB
PDBbind
3-mer
1m7d
RCSB PDB
PDBbind
3-mer
1mfa
RCSB PDB
PDBbind
3-mer
1mfd
RCSB PDB
PDBbind
3-mer
1nu8
RCSB PDB
PDBbind
3-mer
1ogg
RCSB PDB
PDBbind
3-mer
1qka
RCSB PDB
PDBbind
3-mer
1qkb
RCSB PDB
PDBbind
3-mer
1ule
RCSB PDB
PDBbind
3-mer
1ur9
RCSB PDB
PDBbind
3-mer
1ux7
RCSB PDB
PDBbind
3-mer
1uz8
RCSB PDB
PDBbind
3-mer
1w3l
RCSB PDB
PDBbind
3-mer
1y3g
RCSB PDB
PDBbind
3-mer
2euk
RCSB PDB
PDBbind
3-mer
2eum
RCSB PDB
PDBbind
3-mer
2evl
RCSB PDB
PDBbind
3-mer
2jdh
RCSB PDB
PDBbind
3-mer
2jdk
RCSB PDB
PDBbind
3-mer
2liq
RCSB PDB
PDBbind
3-mer
2olb
RCSB PDB
PDBbind
3-mer
2r2b
RCSB PDB
PDBbind
3-mer
2vxj
RCSB PDB
PDBbind
3-mer
2w68
RCSB PDB
PDBbind
3-mer
2w7y
RCSB PDB
PDBbind
3-mer
2wk2
RCSB PDB
PDBbind
3-mer
2wm0
RCSB PDB
PDBbind
3-mer
2xdw
RCSB PDB
PDBbind
3-mer
2xg3
RCSB PDB
PDBbind
3-mer
2yjq
RCSB PDB
PDBbind
3-mer
3afk
RCSB PDB
PDBbind
3-mer
3ap7
RCSB PDB
PDBbind
3-mer
3aya
RCSB PDB
PDBbind
3-mer
3ayd
RCSB PDB
PDBbind
3-mer
3g19
RCSB PDB
PDBbind
3-mer
3gxy
RCSB PDB
PDBbind
3-mer
3m3c
RCSB PDB
PDBbind
3-mer
3m3e
RCSB PDB
PDBbind
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5xhs
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6df1
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6df2
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6fhu
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PDBbind
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6m9c
RCSB PDB
PDBbind
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6m9d
RCSB PDB
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3-mer
6phx
RCSB PDB
PDBbind
3-mer
6p7p
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PDBbind
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6k2n
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3-mer
6iht
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6idz
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6idb
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Entry Information
PDB ID
4hpi
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Lysozyme C
Ligand Name
3-mer
EC.Number
E.C.3.2.1.17
Resolution
1.19(Å)
Affinity (Kd/Ki/IC50)
Kd=14.2uM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) J.Biol.Chem. Vol. 288: pp. 6072-6082
Ligand Properties
Formula
C
2
2
H
4
0
N
3
O
1
4
Molecular Weight
570.565
Exact Mass
570.251
No. of atoms
79
No. of bonds
81
Polar Surface Area
273.57
LOGP Value
-6.64 (
Computed with XLOGP3
)
-5.71 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 11
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 19
No. of Nitrogen and Oxygen Atoms: 17
No. of Rings: 3
Canonical SMILES
OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)[NH2+]C[C@@H]([C@H]2O)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1NC(=O)C)O)O)O)NC(=O)C
InChI String
InChI=1S/C22H39N3O14/c1-7(29)24-13-17(34)16(33)11(5-27)36-21(13)39-20-12(6-28)37-22(14(18(20)35)25-8(2)30)38-19-9(4-26)23-3-10(31)15(19)32/h9-23,26-28,31-35H,3-6H2,1-2H3,(H,24,29)(H,25,30)/p+1/t9-,10+,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+/m1/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):
P00698
Entrez Gene ID
NCBI Entrez Gene ID:
396218
ASD
Information of known allosteric effects of PDB entries
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