Browse entries in the PDBbind-CN Database
HEADER 2KBS_COMPLEX COMPND 2KBS_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 92 LYS GLU LYS LYS VAL PHE ILE SER LEU VAL GLY SER ARG SEQRES 2 A 92 GLY LEU GLY CYS SER ILE SER SER GLY PRO ILE GLN LYS SEQRES 3 A 92 PRO GLY ILE PHE ILE SER HIS VAL LYS PRO GLY SER LEU SEQRES 4 A 92 SER ALA GLU VAL GLY LEU GLU ILE GLY ASP GLN ILE VAL SEQRES 5 A 92 GLU VAL ASN GLY VAL ASP PHE SER ASN LEU ASP HIS LYS SEQRES 6 A 92 GLU ALA VAL ASN VAL LEU LYS SER SER ARG SER LEU THR SEQRES 7 A 92 ILE SER ILE VAL ALA ALA ALA GLY ARG GLU LEU PHE MET SEQRES 8 A 92 THR HET THR A 93 132 ATOM 1 N LYS A 9 -4.705 -4.699 -13.587 1.00 0.00 N ATOM 2 CA LYS A 9 -4.543 -3.418 -14.323 1.00 0.00 C ATOM 3 C LYS A 9 -3.504 -2.525 -13.653 1.00 0.00 C ATOM 4 O LYS A 9 -3.778 -1.894 -12.632 1.00 0.00 O ATOM 5 CB LYS A 9 -5.898 -2.709 -14.370 1.00 0.00 C ATOM 6 CG LYS A 9 -6.155 -1.977 -15.676 1.00 0.00 C ATOM 7 CD LYS A 9 -7.363 -1.058 -15.573 1.00 0.00 C ATOM 8 CE LYS A 9 -7.138 0.249 -16.317 1.00 0.00 C ATOM 9 NZ LYS A 9 -7.250 1.429 -15.414 1.00 0.00 N ATOM 10 HA LYS A 9 -4.193 -3.627 -15.334 1.00 0.00 H ATOM 11 HB2 LYS A 9 -6.682 -3.453 -14.232 1.00 0.00 H ATOM 12 HB3 LYS A 9 -5.938 -1.986 -13.555 1.00 0.00 H ATOM 13 HG2 LYS A 9 -5.277 -1.382 -15.927 1.00 0.00 H ATOM 14 HG3 LYS A 9 -6.333 -2.709 -16.463 1.00 0.00 H ATOM 15 HD2 LYS A 9 -8.230 -1.563 -15.999 1.00 0.00 H ATOM 16 HD3 LYS A 9 -7.552 -0.839 -14.522 1.00 0.00 H ATOM 17 HE2 LYS A 9 -7.883 0.338 -17.107 1.00 0.00 H ATOM 18 HE3 LYS A 9 -6.142 0.236 -16.759 1.00 0.00 H ATOM 19 HZ1 LYS A 9 -8.201 1.453 -14.993 1.00 0.00 H ATOM 20 HZ2 LYS A 9 -6.537 1.356 -14.660 1.00 0.00 H ATOM 21 HZ3 LYS A 9 -7.090 2.299 -15.961 1.00 0.00 H ATOM 22 HN3 LYS A 9 -5.014 -4.502 -12.614 1.00 0.00 H ATOM 23 HN2 LYS A 9 -3.796 -5.204 -13.568 1.00 0.00 H ATOM 24 HN1 LYS A 9 -5.418 -5.285 -14.066 1.00 0.00 H ATOM 25 N GLU A 10 -2.310 -2.478 -14.235 1.00 0.00 N ATOM 26 CA GLU A 10 -1.228 -1.661 -13.696 1.00 0.00 C ATOM 27 C GLU A 10 -1.600 -0.182 -13.720 1.00 0.00 C ATOM 28 O GLU A 10 -1.777 0.406 -14.786 1.00 0.00 O ATOM 29 CB GLU A 10 0.058 -1.891 -14.494 1.00 0.00 C ATOM 30 CG GLU A 10 1.028 -2.850 -13.823 1.00 0.00 C ATOM 31 CD GLU A 10 2.256 -3.120 -14.670 1.00 0.00 C ATOM 32 OE1 GLU A 10 2.093 -3.467 -15.860 1.00 0.00 O ATOM 33 OE2 GLU A 10 3.381 -2.986 -14.144 1.00 0.00 O ATOM 34 HA GLU A 10 -1.062 -1.957 -12.660 1.00 0.00 H ATOM 35 HB2 GLU A 10 -0.210 -2.297 -15.469 1.00 0.00 H ATOM 36 HB3 GLU A 10 0.558 -0.931 -14.626 1.00 0.00 H ATOM 37 HG2 GLU A 10 1.346 -2.419 -12.873 1.00 0.00 H ATOM 38 HG3 GLU A 10 0.515 -3.794 -13.639 1.00 0.00 H ATOM 39 H GLU A 10 -2.143 -3.037 -15.096 1.00 0.00 H ATOM 40 N LYS A 11 -1.717 0.415 -12.537 1.00 0.00 N ATOM 41 CA LYS A 11 -2.068 1.827 -12.428 1.00 0.00 C ATOM 42 C LYS A 11 -0.848 2.668 -12.052 1.00 0.00 C ATOM 43 O LYS A 11 0.046 2.206 -11.342 1.00 0.00 O ATOM 44 CB LYS A 11 -3.183 2.021 -11.397 1.00 0.00 C ATOM 45 CG LYS A 11 -3.564 3.478 -11.175 1.00 0.00 C ATOM 46 CD LYS A 11 -4.963 3.606 -10.593 1.00 0.00 C ATOM 47 CE LYS A 11 -5.028 3.077 -9.169 1.00 0.00 C ATOM 48 NZ LYS A 11 -5.994 1.952 -9.038 1.00 0.00 N ATOM 49 HA LYS A 11 -2.426 2.162 -13.402 1.00 0.00 H ATOM 50 HB2 LYS A 11 -4.066 1.482 -11.740 1.00 0.00 H ATOM 51 HB3 LYS A 11 -2.850 1.603 -10.447 1.00 0.00 H ATOM 52 HG2 LYS A 11 -2.851 3.930 -10.486 1.00 0.00 H ATOM 53 HG3 LYS A 11 -3.528 4.003 -12.129 1.00 0.00 H ATOM 54 HD2 LYS A 11 -5.252 4.657 -10.594 1.00 0.00 H ATOM 55 HD3 LYS A 11 -5.658 3.039 -11.213 1.00 0.00 H ATOM 56 HE2 LYS A 11 -5.336 3.886 -8.506 1.00 0.00 H ATOM 57 HE3 LYS A 11 -4.038 2.727 -8.877 1.00 0.00 H ATOM 58 HZ1 LYS A 11 -6.944 2.279 -9.308 1.00 0.00 H ATOM 59 HZ2 LYS A 11 -5.704 1.173 -9.662 1.00 0.00 H ATOM 60 HZ3 LYS A 11 -6.007 1.621 -8.052 1.00 0.00 H ATOM 61 H LYS A 11 -1.555 -0.137 -11.671 1.00 0.00 H ATOM 62 N LYS A 12 -0.815 3.904 -12.538 1.00 0.00 N ATOM 63 CA LYS A 12 0.297 4.807 -12.257 1.00 0.00 C ATOM 64 C LYS A 12 -0.133 5.930 -11.318 1.00 0.00 C ATOM 65 O LYS A 12 -1.219 6.493 -11.463 1.00 0.00 O ATOM 66 CB LYS A 12 0.843 5.396 -13.559 1.00 0.00 C ATOM 67 CG LYS A 12 2.275 5.892 -13.449 1.00 0.00 C ATOM 68 CD LYS A 12 3.263 4.737 -13.414 1.00 0.00 C ATOM 69 CE LYS A 12 4.628 5.187 -12.923 1.00 0.00 C ATOM 70 NZ LYS A 12 5.546 5.512 -14.050 1.00 0.00 N ATOM 71 HA LYS A 12 1.083 4.232 -11.767 1.00 0.00 H ATOM 72 HB2 LYS A 12 0.803 4.626 -14.329 1.00 0.00 H ATOM 73 HB3 LYS A 12 0.209 6.233 -13.851 1.00 0.00 H ATOM 74 HG2 LYS A 12 2.498 6.524 -14.309 1.00 0.00 H ATOM 75 HG3 LYS A 12 2.379 6.475 -12.534 1.00 0.00 H ATOM 76 HD2 LYS A 12 2.882 3.965 -12.745 1.00 0.00 H ATOM 77 HD3 LYS A 12 3.365 4.327 -14.419 1.00 0.00 H ATOM 78 HE2 LYS A 12 5.070 4.388 -12.328 1.00 0.00 H ATOM 79 HE3 LYS A 12 4.504 6.074 -12.302 1.00 0.00 H ATOM 80 HZ1 LYS A 12 5.675 4.668 -14.644 1.00 0.00 H ATOM 81 HZ2 LYS A 12 5.136 6.279 -14.620 1.00 0.00 H ATOM 82 HZ3 LYS A 12 6.466 5.814 -13.670 1.00 0.00 H ATOM 83 H LYS A 12 -1.600 4.236 -13.133 1.00 0.00 H ATOM 84 N VAL A 13 0.727 6.253 -10.358 1.00 0.00 N ATOM 85 CA VAL A 13 0.440 7.311 -9.398 1.00 0.00 C ATOM 86 C VAL A 13 1.701 8.097 -9.055 1.00 0.00 C ATOM 87 O VAL A 13 2.731 7.517 -8.705 1.00 0.00 O ATOM 88 CB VAL A 13 -0.170 6.742 -8.102 1.00 0.00 C ATOM 89 CG1 VAL A 13 -0.572 7.865 -7.159 1.00 0.00 C ATOM 90 CG2 VAL A 13 -1.360 5.850 -8.421 1.00 0.00 C ATOM 91 HA VAL A 13 -0.283 7.979 -9.867 1.00 0.00 H ATOM 92 HB VAL A 13 0.586 6.137 -7.602 1.00 0.00 H ATOM 93 HG11 VAL A 13 0.307 8.457 -6.905 1.00 0.00 H ATOM 94 HG12 VAL A 13 -1.311 8.501 -7.647 1.00 0.00 H ATOM 95 HG13 VAL A 13 -1.000 7.440 -6.251 1.00 0.00 H ATOM 96 HG21 VAL A 13 -2.119 6.432 -8.945 1.00 0.00 H ATOM 97 HG22 VAL A 13 -1.034 5.024 -9.053 1.00 0.00 H ATOM 98 HG23 VAL A 13 -1.777 5.458 -7.494 1.00 0.00 H ATOM 99 H VAL A 13 1.628 5.738 -10.290 1.00 0.00 H ATOM 100 N PHE A 14 1.615 9.419 -9.158 1.00 0.00 N ATOM 101 CA PHE A 14 2.750 10.285 -8.861 1.00 0.00 C ATOM 102 C PHE A 14 2.466 11.156 -7.641 1.00 0.00 C ATOM 103 O PHE A 14 1.559 11.989 -7.660 1.00 0.00 O ATOM 104 CB PHE A 14 3.076 11.172 -10.066 1.00 0.00 C ATOM 105 CG PHE A 14 2.979 10.457 -11.384 1.00 0.00 C ATOM 106 CD1 PHE A 14 1.754 10.303 -12.015 1.00 0.00 C ATOM 107 CD2 PHE A 14 4.112 9.942 -11.994 1.00 0.00 C ATOM 108 CE1 PHE A 14 1.661 9.646 -13.227 1.00 0.00 C ATOM 109 CE2 PHE A 14 4.025 9.285 -13.206 1.00 0.00 C ATOM 110 CZ PHE A 14 2.798 9.137 -13.824 1.00 0.00 C ATOM 111 HA PHE A 14 3.608 9.650 -8.643 1.00 0.00 H ATOM 112 HB2 PHE A 14 2.379 12.010 -10.076 1.00 0.00 H ATOM 113 HB3 PHE A 14 4.093 11.548 -9.952 1.00 0.00 H ATOM 114 HD2 PHE A 14 5.083 10.057 -11.512 1.00 0.00 H ATOM 115 HE2 PHE A 14 4.924 8.884 -13.675 1.00 0.00 H ATOM 116 HZ PHE A 14 2.727 8.620 -14.781 1.00 0.00 H ATOM 117 HE1 PHE A 14 0.692 9.529 -13.711 1.00 0.00 H ATOM 118 HD1 PHE A 14 0.854 10.705 -11.550 1.00 0.00 H ATOM 119 H PHE A 14 0.716 9.847 -9.458 1.00 0.00 H ATOM 120 N ILE A 15 3.248 10.963 -6.584 1.00 0.00 N ATOM 121 CA ILE A 15 3.079 11.738 -5.359 1.00 0.00 C ATOM 122 C ILE A 15 4.164 12.801 -5.233 1.00 0.00 C ATOM 123 O ILE A 15 5.355 12.494 -5.279 1.00 0.00 O ATOM 124 CB ILE A 15 3.112 10.834 -4.111 1.00 0.00 C ATOM 125 CG1 ILE A 15 2.115 9.683 -4.260 1.00 0.00 C ATOM 126 CG2 ILE A 15 2.807 11.644 -2.859 1.00 0.00 C ATOM 127 CD1 ILE A 15 0.689 10.143 -4.475 1.00 0.00 C ATOM 128 HA ILE A 15 2.104 12.221 -5.420 1.00 0.00 H ATOM 129 HB ILE A 15 4.113 10.414 -4.014 1.00 0.00 H ATOM 130 HG12 ILE A 15 2.414 9.075 -5.114 1.00 0.00 H ATOM 131 HG13 ILE A 15 2.149 9.077 -3.355 1.00 0.00 H ATOM 132 HD11 ILE A 15 0.370 10.744 -3.623 1.00 0.00 H ATOM 133 HD12 ILE A 15 0.635 10.742 -5.384 1.00 0.00 H ATOM 134 HD13 ILE A 15 0.039 9.274 -4.572 1.00 0.00 H ATOM 135 HG21 ILE A 15 3.552 12.431 -2.747 1.00 0.00 H ATOM 136 HG22 ILE A 15 1.816 12.090 -2.949 1.00 0.00 H ATOM 137 HG23 ILE A 15 2.835 10.989 -1.988 1.00 0.00 H ATOM 138 H ILE A 15 3.997 10.243 -6.631 1.00 0.00 H ATOM 139 N SER A 16 3.745 14.052 -5.078 1.00 0.00 N ATOM 140 CA SER A 16 4.682 15.161 -4.947 1.00 0.00 C ATOM 141 C SER A 16 4.222 16.138 -3.869 1.00 0.00 C ATOM 142 O SER A 16 3.100 16.641 -3.911 1.00 0.00 O ATOM 143 CB SER A 16 4.831 15.892 -6.283 1.00 0.00 C ATOM 144 OG SER A 16 5.402 15.044 -7.266 1.00 0.00 O ATOM 145 HA SER A 16 5.649 14.753 -4.654 1.00 0.00 H ATOM 146 HB2 SER A 16 5.474 16.761 -6.144 1.00 0.00 H ATOM 147 HB3 SER A 16 3.848 16.220 -6.622 1.00 0.00 H ATOM 148 HG SER A 16 5.487 15.540 -8.119 1.00 0.00 H ATOM 149 H SER A 16 2.723 14.245 -5.049 1.00 0.00 H ATOM 150 N LEU A 17 5.097 16.399 -2.904 1.00 0.00 N ATOM 151 CA LEU A 17 4.780 17.315 -1.813 1.00 0.00 C ATOM 152 C LEU A 17 4.889 18.766 -2.270 1.00 0.00 C ATOM 153 O LEU A 17 5.873 19.448 -1.983 1.00 0.00 O ATOM 154 CB LEU A 17 5.715 17.071 -0.627 1.00 0.00 C ATOM 155 CG LEU A 17 5.090 17.309 0.748 1.00 0.00 C ATOM 156 CD1 LEU A 17 5.689 16.364 1.778 1.00 0.00 C ATOM 157 CD2 LEU A 17 5.281 18.756 1.175 1.00 0.00 C ATOM 158 HA LEU A 17 3.752 17.127 -1.502 1.00 0.00 H ATOM 159 HB2 LEU A 17 6.054 16.036 -0.670 1.00 0.00 H ATOM 160 HB3 LEU A 17 6.572 17.737 -0.729 1.00 0.00 H ATOM 161 HG LEU A 17 4.021 17.108 0.680 1.00 0.00 H ATOM 162 HD21 LEU A 17 6.346 18.981 1.225 1.00 0.00 H ATOM 163 HD22 LEU A 17 4.803 19.414 0.449 1.00 0.00 H ATOM 164 HD23 LEU A 17 4.830 18.907 2.156 1.00 0.00 H ATOM 165 HD11 LEU A 17 5.500 15.334 1.477 1.00 0.00 H ATOM 166 HD12 LEU A 17 6.764 16.534 1.843 1.00 0.00 H ATOM 167 HD13 LEU A 17 5.231 16.550 2.749 1.00 0.00 H ATOM 168 H LEU A 17 6.030 15.940 -2.927 1.00 0.00 H ATOM 169 N VAL A 18 3.870 19.233 -2.985 1.00 0.00 N ATOM 170 CA VAL A 18 3.851 20.603 -3.481 1.00 0.00 C ATOM 171 C VAL A 18 3.696 21.599 -2.336 1.00 0.00 C ATOM 172 O VAL A 18 4.192 22.723 -2.407 1.00 0.00 O ATOM 173 CB VAL A 18 2.708 20.821 -4.491 1.00 0.00 C ATOM 174 CG1 VAL A 18 3.012 20.116 -5.803 1.00 0.00 C ATOM 175 CG2 VAL A 18 1.387 20.340 -3.911 1.00 0.00 C ATOM 176 HA VAL A 18 4.805 20.770 -3.981 1.00 0.00 H ATOM 177 HB VAL A 18 2.623 21.889 -4.692 1.00 0.00 H ATOM 178 HG11 VAL A 18 3.936 20.514 -6.223 1.00 0.00 H ATOM 179 HG12 VAL A 18 3.125 19.047 -5.622 1.00 0.00 H ATOM 180 HG13 VAL A 18 2.192 20.283 -6.502 1.00 0.00 H ATOM 181 HG21 VAL A 18 1.459 19.277 -3.680 1.00 0.00 H ATOM 182 HG22 VAL A 18 1.167 20.897 -3.000 1.00 0.00 H ATOM 183 HG23 VAL A 18 0.592 20.502 -4.639 1.00 0.00 H ATOM 184 H VAL A 18 3.068 18.606 -3.195 1.00 0.00 H ATOM 185 N GLY A 19 3.005 21.177 -1.282 1.00 0.00 N ATOM 186 CA GLY A 19 2.798 22.043 -0.137 1.00 0.00 C ATOM 187 C GLY A 19 3.657 21.654 1.050 1.00 0.00 C ATOM 188 O GLY A 19 4.885 21.633 0.953 1.00 0.00 O ATOM 189 HA3 GLY A 19 1.750 21.989 0.157 1.00 0.00 H ATOM 190 HA2 GLY A 19 3.041 23.066 -0.424 1.00 0.00 H ATOM 191 H GLY A 19 2.608 20.216 -1.278 1.00 0.00 H ATOM 192 N SER A 20 3.014 21.345 2.170 1.00 0.00 N ATOM 193 CA SER A 20 3.729 20.957 3.380 1.00 0.00 C ATOM 194 C SER A 20 2.964 19.880 4.144 1.00 0.00 C ATOM 195 O SER A 20 2.848 19.937 5.369 1.00 0.00 O ATOM 196 CB SER A 20 3.955 22.175 4.277 1.00 0.00 C ATOM 197 OG SER A 20 2.881 23.092 4.170 1.00 0.00 O ATOM 198 HA SER A 20 4.696 20.548 3.085 1.00 0.00 H ATOM 199 HB2 SER A 20 4.878 22.671 3.978 1.00 0.00 H ATOM 200 HB3 SER A 20 4.040 21.845 5.312 1.00 0.00 H ATOM 201 HG SER A 20 3.052 23.869 4.759 1.00 0.00 H ATOM 202 H SER A 20 1.975 21.381 2.184 1.00 0.00 H ATOM 203 N ARG A 21 2.441 18.901 3.413 1.00 0.00 N ATOM 204 CA ARG A 21 1.686 17.811 4.023 1.00 0.00 C ATOM 205 C ARG A 21 2.012 16.480 3.355 1.00 0.00 C ATOM 206 O ARG A 21 2.360 16.436 2.174 1.00 0.00 O ATOM 207 CB ARG A 21 0.183 18.089 3.930 1.00 0.00 C ATOM 208 CG ARG A 21 -0.348 18.104 2.505 1.00 0.00 C ATOM 209 CD ARG A 21 -0.273 19.493 1.896 1.00 0.00 C ATOM 210 NE ARG A 21 -1.255 20.404 2.482 1.00 0.00 N ATOM 211 CZ ARG A 21 -1.652 21.536 1.908 1.00 0.00 C ATOM 212 NH1 ARG A 21 -1.156 21.904 0.733 1.00 0.00 N ATOM 213 NH2 ARG A 21 -2.549 22.305 2.511 1.00 0.00 N ATOM 214 HA ARG A 21 1.973 17.748 5.073 1.00 0.00 H ATOM 215 HB2 ARG A 21 -0.346 17.315 4.487 1.00 0.00 H ATOM 216 HB3 ARG A 21 -0.016 19.060 4.382 1.00 0.00 H ATOM 217 HG2 ARG A 21 0.245 17.419 1.899 1.00 0.00 H ATOM 218 HG3 ARG A 21 -1.387 17.775 2.511 1.00 0.00 H ATOM 219 HD2 ARG A 21 -0.458 19.418 0.825 1.00 0.00 H ATOM 220 HD3 ARG A 21 0.725 19.897 2.063 1.00 0.00 H ATOM 221 HE ARG A 21 -1.668 20.152 3.403 1.00 0.00 H ATOM 222 HH12 ARG A 21 -1.471 22.791 0.290 1.00 0.00 H ATOM 223 HH11 ARG A 21 -0.452 21.306 0.255 1.00 0.00 H ATOM 224 HH22 ARG A 21 -2.860 23.190 2.063 1.00 0.00 H ATOM 225 HH21 ARG A 21 -2.941 22.022 3.432 1.00 0.00 H ATOM 226 H ARG A 21 2.573 18.912 2.381 1.00 0.00 H ATOM 227 N GLY A 22 1.898 15.396 4.116 1.00 0.00 N ATOM 228 CA GLY A 22 2.185 14.079 3.579 1.00 0.00 C ATOM 229 C GLY A 22 1.278 13.717 2.418 1.00 0.00 C ATOM 230 O GLY A 22 0.568 14.573 1.888 1.00 0.00 O ATOM 231 HA3 GLY A 22 2.052 13.341 4.370 1.00 0.00 H ATOM 232 HA2 GLY A 22 3.219 14.059 3.235 1.00 0.00 H ATOM 233 H GLY A 22 1.600 15.493 5.108 1.00 0.00 H ATOM 234 N LEU A 23 1.299 12.449 2.022 1.00 0.00 N ATOM 235 CA LEU A 23 0.471 11.983 0.917 1.00 0.00 C ATOM 236 C LEU A 23 -0.975 11.796 1.369 1.00 0.00 C ATOM 237 O LEU A 23 -1.908 12.150 0.650 1.00 0.00 O ATOM 238 CB LEU A 23 1.060 10.688 0.325 1.00 0.00 C ATOM 239 CG LEU A 23 0.247 9.395 0.517 1.00 0.00 C ATOM 240 CD1 LEU A 23 -0.170 8.823 -0.829 1.00 0.00 C ATOM 241 CD2 LEU A 23 1.057 8.372 1.302 1.00 0.00 C ATOM 242 HA LEU A 23 0.467 12.738 0.131 1.00 0.00 H ATOM 243 HB2 LEU A 23 1.182 10.843 -0.747 1.00 0.00 H ATOM 244 HB3 LEU A 23 2.037 10.533 0.782 1.00 0.00 H ATOM 245 HG LEU A 23 -0.653 9.633 1.083 1.00 0.00 H ATOM 246 HD21 LEU A 23 1.972 8.140 0.757 1.00 0.00 H ATOM 247 HD22 LEU A 23 1.309 8.783 2.280 1.00 0.00 H ATOM 248 HD23 LEU A 23 0.468 7.464 1.429 1.00 0.00 H ATOM 249 HD11 LEU A 23 -0.783 9.552 -1.358 1.00 0.00 H ATOM 250 HD12 LEU A 23 0.719 8.599 -1.418 1.00 0.00 H ATOM 251 HD13 LEU A 23 -0.744 7.909 -0.672 1.00 0.00 H ATOM 252 H LEU A 23 1.920 11.774 2.512 1.00 0.00 H ATOM 253 N GLY A 24 -1.154 11.250 2.567 1.00 0.00 N ATOM 254 CA GLY A 24 -2.492 11.044 3.092 1.00 0.00 C ATOM 255 C GLY A 24 -2.960 9.603 2.995 1.00 0.00 C ATOM 256 O GLY A 24 -4.162 9.338 3.035 1.00 0.00 O ATOM 257 HA3 GLY A 24 -3.185 11.671 2.531 1.00 0.00 H ATOM 258 HA2 GLY A 24 -2.502 11.342 4.141 1.00 0.00 H ATOM 259 H GLY A 24 -0.329 10.968 3.133 1.00 0.00 H ATOM 260 N CYS A 25 -2.024 8.667 2.862 1.00 0.00 N ATOM 261 CA CYS A 25 -2.382 7.255 2.757 1.00 0.00 C ATOM 262 C CYS A 25 -1.533 6.390 3.685 1.00 0.00 C ATOM 263 O CYS A 25 -0.437 6.778 4.088 1.00 0.00 O ATOM 264 CB CYS A 25 -2.248 6.778 1.299 1.00 0.00 C ATOM 265 SG CYS A 25 -0.749 5.830 0.925 1.00 0.00 S ATOM 266 HA CYS A 25 -3.421 7.149 3.069 1.00 0.00 H ATOM 267 HB2 CYS A 25 -2.259 7.657 0.655 1.00 0.00 H ATOM 268 HB3 CYS A 25 -3.109 6.150 1.070 1.00 0.00 H ATOM 269 HG CYS A 25 -0.715 4.697 1.712 1.00 0.00 H ATOM 270 H CYS A 25 -1.022 8.945 2.832 1.00 0.00 H ATOM 271 N SER A 26 -2.047 5.207 3.999 1.00 0.00 N ATOM 272 CA SER A 26 -1.343 4.265 4.859 1.00 0.00 C ATOM 273 C SER A 26 -0.979 3.018 4.063 1.00 0.00 C ATOM 274 O SER A 26 -1.377 2.878 2.907 1.00 0.00 O ATOM 275 CB SER A 26 -2.210 3.888 6.061 1.00 0.00 C ATOM 276 OG SER A 26 -2.186 4.905 7.049 1.00 0.00 O ATOM 277 HA SER A 26 -0.431 4.735 5.226 1.00 0.00 H ATOM 278 HB2 SER A 26 -1.834 2.961 6.495 1.00 0.00 H ATOM 279 HB3 SER A 26 -3.237 3.740 5.727 1.00 0.00 H ATOM 280 HG SER A 26 -1.256 5.040 7.360 1.00 0.00 H ATOM 281 H SER A 26 -2.979 4.945 3.620 1.00 0.00 H ATOM 282 N ILE A 27 -0.220 2.116 4.671 1.00 0.00 N ATOM 283 CA ILE A 27 0.181 0.893 3.987 1.00 0.00 C ATOM 284 C ILE A 27 0.218 -0.298 4.937 1.00 0.00 C ATOM 285 O ILE A 27 0.555 -0.163 6.113 1.00 0.00 O ATOM 286 CB ILE A 27 1.555 1.039 3.306 1.00 0.00 C ATOM 287 CG1 ILE A 27 2.520 1.817 4.201 1.00 0.00 C ATOM 288 CG2 ILE A 27 1.405 1.726 1.957 1.00 0.00 C ATOM 289 CD1 ILE A 27 3.917 1.914 3.632 1.00 0.00 C ATOM 290 HA ILE A 27 -0.574 0.714 3.221 1.00 0.00 H ATOM 291 HB ILE A 27 1.968 0.043 3.144 1.00 0.00 H ATOM 292 HG12 ILE A 27 2.130 2.826 4.336 1.00 0.00 H ATOM 293 HG13 ILE A 27 2.574 1.318 5.168 1.00 0.00 H ATOM 294 HD11 ILE A 27 4.325 0.912 3.501 1.00 0.00 H ATOM 295 HD12 ILE A 27 3.881 2.421 2.668 1.00 0.00 H ATOM 296 HD13 ILE A 27 4.549 2.478 4.318 1.00 0.00 H ATOM 297 HG21 ILE A 27 0.752 1.131 1.318 1.00 0.00 H ATOM 298 HG22 ILE A 27 0.971 2.716 2.101 1.00 0.00 H ATOM 299 HG23 ILE A 27 2.385 1.822 1.489 1.00 0.00 H ATOM 300 H ILE A 27 0.093 2.284 5.648 1.00 0.00 H ATOM 301 N SER A 28 -0.134 -1.463 4.409 1.00 0.00 N ATOM 302 CA SER A 28 -0.150 -2.693 5.187 1.00 0.00 C ATOM 303 C SER A 28 0.624 -3.791 4.467 1.00 0.00 C ATOM 304 O SER A 28 0.880 -3.695 3.267 1.00 0.00 O ATOM 305 CB SER A 28 -1.589 -3.147 5.438 1.00 0.00 C ATOM 306 OG SER A 28 -1.621 -4.362 6.167 1.00 0.00 O ATOM 307 HA SER A 28 0.330 -2.497 6.146 1.00 0.00 H ATOM 308 HB2 SER A 28 -2.089 -3.293 4.480 1.00 0.00 H ATOM 309 HB3 SER A 28 -2.112 -2.377 6.006 1.00 0.00 H ATOM 310 HG SER A 28 -1.172 -4.234 7.040 1.00 0.00 H ATOM 311 H SER A 28 -0.407 -1.499 3.406 1.00 0.00 H ATOM 312 N SER A 29 0.996 -4.832 5.200 1.00 0.00 N ATOM 313 CA SER A 29 1.742 -5.940 4.620 1.00 0.00 C ATOM 314 C SER A 29 0.832 -7.147 4.418 1.00 0.00 C ATOM 315 O SER A 29 -0.068 -7.399 5.220 1.00 0.00 O ATOM 316 CB SER A 29 2.924 -6.315 5.516 1.00 0.00 C ATOM 317 OG SER A 29 4.128 -5.741 5.040 1.00 0.00 O ATOM 318 HA SER A 29 2.125 -5.626 3.649 1.00 0.00 H ATOM 319 HB2 SER A 29 3.029 -7.400 5.532 1.00 0.00 H ATOM 320 HB3 SER A 29 2.733 -5.955 6.527 1.00 0.00 H ATOM 321 HG SER A 29 4.874 -5.999 5.637 1.00 0.00 H ATOM 322 H SER A 29 0.750 -4.857 6.210 1.00 0.00 H ATOM 323 N GLY A 30 1.062 -7.878 3.334 1.00 0.00 N ATOM 324 CA GLY A 30 0.243 -9.037 3.035 1.00 0.00 C ATOM 325 C GLY A 30 0.765 -10.314 3.669 1.00 0.00 C ATOM 326 O GLY A 30 1.832 -10.319 4.280 1.00 0.00 O ATOM 327 HA3 GLY A 30 0.214 -9.173 1.954 1.00 0.00 H ATOM 328 HA2 GLY A 30 -0.766 -8.854 3.404 1.00 0.00 H ATOM 329 H GLY A 30 1.838 -7.617 2.692 1.00 0.00 H ATOM 330 N PRO A 31 0.017 -11.422 3.531 1.00 0.00 N ATOM 331 CA PRO A 31 0.406 -12.720 4.094 1.00 0.00 C ATOM 332 C PRO A 31 1.612 -13.323 3.379 1.00 0.00 C ATOM 333 O PRO A 31 2.365 -12.616 2.709 1.00 0.00 O ATOM 334 CB PRO A 31 -0.839 -13.586 3.877 1.00 0.00 C ATOM 335 CG PRO A 31 -1.529 -12.970 2.711 1.00 0.00 C ATOM 336 CD PRO A 31 -1.268 -11.493 2.813 1.00 0.00 C ATOM 337 HA PRO A 31 0.708 -12.640 5.138 1.00 0.00 H ATOM 338 HD3 PRO A 31 -1.188 -11.041 1.824 1.00 0.00 H ATOM 339 HD2 PRO A 31 -2.058 -10.995 3.376 1.00 0.00 H ATOM 340 HG3 PRO A 31 -2.600 -13.170 2.754 1.00 0.00 H ATOM 341 HG2 PRO A 31 -1.124 -13.364 1.779 1.00 0.00 H ATOM 342 HB2 PRO A 31 -0.558 -14.616 3.658 1.00 0.00 H ATOM 343 HB3 PRO A 31 -1.480 -13.566 4.758 1.00 0.00 H ATOM 344 N ILE A 32 1.791 -14.631 3.530 1.00 0.00 N ATOM 345 CA ILE A 32 2.905 -15.329 2.903 1.00 0.00 C ATOM 346 C ILE A 32 2.564 -15.748 1.476 1.00 0.00 C ATOM 347 O ILE A 32 3.449 -15.886 0.632 1.00 0.00 O ATOM 348 CB ILE A 32 3.310 -16.579 3.709 1.00 0.00 C ATOM 349 CG1 ILE A 32 3.478 -16.229 5.191 1.00 0.00 C ATOM 350 CG2 ILE A 32 4.592 -17.177 3.150 1.00 0.00 C ATOM 351 CD1 ILE A 32 2.745 -17.170 6.121 1.00 0.00 C ATOM 352 HA ILE A 32 3.741 -14.630 2.882 1.00 0.00 H ATOM 353 HB ILE A 32 2.517 -17.322 3.621 1.00 0.00 H ATOM 354 HG12 ILE A 32 4.540 -16.260 5.435 1.00 0.00 H ATOM 355 HG13 ILE A 32 3.099 -15.220 5.352 1.00 0.00 H ATOM 356 HD11 ILE A 32 1.678 -17.142 5.898 1.00 0.00 H ATOM 357 HD12 ILE A 32 3.120 -18.184 5.980 1.00 0.00 H ATOM 358 HD13 ILE A 32 2.910 -16.860 7.153 1.00 0.00 H ATOM 359 HG21 ILE A 32 4.436 -17.460 2.109 1.00 0.00 H ATOM 360 HG22 ILE A 32 5.392 -16.439 3.211 1.00 0.00 H ATOM 361 HG23 ILE A 32 4.864 -18.059 3.731 1.00 0.00 H ATOM 362 H ILE A 32 1.118 -15.170 4.111 1.00 0.00 H ATOM 363 N GLN A 33 1.277 -15.949 1.213 1.00 0.00 N ATOM 364 CA GLN A 33 0.823 -16.350 -0.113 1.00 0.00 C ATOM 365 C GLN A 33 1.065 -15.239 -1.129 1.00 0.00 C ATOM 366 O GLN A 33 1.332 -15.504 -2.301 1.00 0.00 O ATOM 367 CB GLN A 33 -0.662 -16.713 -0.079 1.00 0.00 C ATOM 368 CG GLN A 33 -0.937 -18.103 0.471 1.00 0.00 C ATOM 369 CD GLN A 33 -2.177 -18.151 1.341 1.00 0.00 C ATOM 370 OE1 GLN A 33 -3.298 -18.015 0.854 1.00 0.00 O ATOM 371 NE2 GLN A 33 -1.981 -18.344 2.641 1.00 0.00 N ATOM 372 HA GLN A 33 1.396 -17.226 -0.417 1.00 0.00 H ATOM 373 HB2 GLN A 33 -1.180 -15.986 0.546 1.00 0.00 H ATOM 374 HB3 GLN A 33 -1.053 -16.661 -1.095 1.00 0.00 H ATOM 375 HG2 GLN A 33 -1.070 -18.790 -0.365 1.00 0.00 H ATOM 376 HG3 GLN A 33 -0.080 -18.419 1.066 1.00 0.00 H ATOM 377 HE22 GLN A 33 -1.015 -18.454 3.011 1.00 0.00 H ATOM 378 HE21 GLN A 33 -2.793 -18.385 3.289 1.00 0.00 H ATOM 379 H GLN A 33 0.577 -15.817 1.971 1.00 0.00 H ATOM 380 N LYS A 34 0.971 -13.995 -0.671 1.00 0.00 N ATOM 381 CA LYS A 34 1.180 -12.842 -1.538 1.00 0.00 C ATOM 382 C LYS A 34 1.716 -11.654 -0.743 1.00 0.00 C ATOM 383 O LYS A 34 1.009 -10.668 -0.531 1.00 0.00 O ATOM 384 CB LYS A 34 -0.127 -12.460 -2.236 1.00 0.00 C ATOM 385 CG LYS A 34 -0.807 -13.625 -2.935 1.00 0.00 C ATOM 386 CD LYS A 34 -1.863 -13.147 -3.918 1.00 0.00 C ATOM 387 CE LYS A 34 -3.091 -14.041 -3.897 1.00 0.00 C ATOM 388 NZ LYS A 34 -3.797 -13.984 -2.586 1.00 0.00 N ATOM 389 HA LYS A 34 1.919 -13.113 -2.292 1.00 0.00 H ATOM 390 HB2 LYS A 34 -0.812 -12.059 -1.489 1.00 0.00 H ATOM 391 HB3 LYS A 34 0.090 -11.692 -2.978 1.00 0.00 H ATOM 392 HG2 LYS A 34 -0.056 -14.202 -3.475 1.00 0.00 H ATOM 393 HG3 LYS A 34 -1.281 -14.259 -2.186 1.00 0.00 H ATOM 394 HD2 LYS A 34 -2.159 -12.132 -3.654 1.00 0.00 H ATOM 395 HD3 LYS A 34 -1.439 -13.151 -4.922 1.00 0.00 H ATOM 396 HE2 LYS A 34 -2.782 -15.069 -4.087 1.00 0.00 H ATOM 397 HE3 LYS A 34 -3.776 -13.718 -4.681 1.00 0.00 H ATOM 398 HZ1 LYS A 34 -3.152 -14.297 -1.833 1.00 0.00 H ATOM 399 HZ2 LYS A 34 -4.101 -13.007 -2.400 1.00 0.00 H ATOM 400 HZ3 LYS A 34 -4.629 -14.608 -2.614 1.00 0.00 H ATOM 401 H LYS A 34 0.742 -13.840 0.332 1.00 0.00 H ATOM 402 N PRO A 35 2.978 -11.733 -0.288 1.00 0.00 N ATOM 403 CA PRO A 35 3.607 -10.660 0.488 1.00 0.00 C ATOM 404 C PRO A 35 3.941 -9.445 -0.369 1.00 0.00 C ATOM 405 O PRO A 35 4.434 -9.579 -1.490 1.00 0.00 O ATOM 406 CB PRO A 35 4.886 -11.310 1.016 1.00 0.00 C ATOM 407 CG PRO A 35 5.212 -12.366 0.017 1.00 0.00 C ATOM 408 CD PRO A 35 3.892 -12.874 -0.495 1.00 0.00 C ATOM 409 HA PRO A 35 2.949 -10.282 1.271 1.00 0.00 H ATOM 410 HD3 PRO A 35 3.958 -13.134 -1.552 1.00 0.00 H ATOM 411 HD2 PRO A 35 3.563 -13.745 0.072 1.00 0.00 H ATOM 412 HG3 PRO A 35 5.772 -13.174 0.488 1.00 0.00 H ATOM 413 HG2 PRO A 35 5.799 -11.947 -0.800 1.00 0.00 H ATOM 414 HB2 PRO A 35 5.692 -10.579 1.080 1.00 0.00 H ATOM 415 HB3 PRO A 35 4.717 -11.749 1.999 1.00 0.00 H ATOM 416 N GLY A 36 3.673 -8.257 0.164 1.00 0.00 N ATOM 417 CA GLY A 36 3.953 -7.035 -0.567 1.00 0.00 C ATOM 418 C GLY A 36 3.444 -5.802 0.153 1.00 0.00 C ATOM 419 O GLY A 36 2.941 -5.891 1.272 1.00 0.00 O ATOM 420 HA3 GLY A 36 3.473 -7.093 -1.544 1.00 0.00 H ATOM 421 HA2 GLY A 36 5.031 -6.944 -0.698 1.00 0.00 H ATOM 422 H GLY A 36 3.258 -8.203 1.116 1.00 0.00 H ATOM 423 N ILE A 37 3.576 -4.648 -0.493 1.00 0.00 N ATOM 424 CA ILE A 37 3.126 -3.391 0.092 1.00 0.00 C ATOM 425 C ILE A 37 1.700 -3.067 -0.337 1.00 0.00 C ATOM 426 O ILE A 37 1.427 -2.866 -1.520 1.00 0.00 O ATOM 427 CB ILE A 37 4.050 -2.223 -0.301 1.00 0.00 C ATOM 428 CG1 ILE A 37 5.515 -2.621 -0.116 1.00 0.00 C ATOM 429 CG2 ILE A 37 3.723 -0.988 0.526 1.00 0.00 C ATOM 430 CD1 ILE A 37 5.875 -2.954 1.316 1.00 0.00 C ATOM 431 HA ILE A 37 3.157 -3.516 1.174 1.00 0.00 H ATOM 432 HB ILE A 37 3.886 -1.986 -1.352 1.00 0.00 H ATOM 433 HG12 ILE A 37 5.716 -3.496 -0.735 1.00 0.00 H ATOM 434 HG13 ILE A 37 6.142 -1.793 -0.446 1.00 0.00 H ATOM 435 HD11 ILE A 37 5.691 -2.085 1.947 1.00 0.00 H ATOM 436 HD12 ILE A 37 5.264 -3.789 1.658 1.00 0.00 H ATOM 437 HD13 ILE A 37 6.929 -3.227 1.370 1.00 0.00 H ATOM 438 HG21 ILE A 37 2.687 -0.698 0.349 1.00 0.00 H ATOM 439 HG22 ILE A 37 3.863 -1.213 1.583 1.00 0.00 H ATOM 440 HG23 ILE A 37 4.385 -0.172 0.236 1.00 0.00 H ATOM 441 H ILE A 37 4.010 -4.642 -1.438 1.00 0.00 H ATOM 442 N PHE A 38 0.794 -3.022 0.634 1.00 0.00 N ATOM 443 CA PHE A 38 -0.609 -2.728 0.361 1.00 0.00 C ATOM 444 C PHE A 38 -0.965 -1.310 0.789 1.00 0.00 C ATOM 445 O PHE A 38 -0.177 -0.632 1.449 1.00 0.00 O ATOM 446 CB PHE A 38 -1.510 -3.734 1.079 1.00 0.00 C ATOM 447 CG PHE A 38 -1.239 -5.164 0.699 1.00 0.00 C ATOM 448 CD1 PHE A 38 -0.013 -5.747 0.973 1.00 0.00 C ATOM 449 CD2 PHE A 38 -2.212 -5.923 0.068 1.00 0.00 C ATOM 450 CE1 PHE A 38 0.238 -7.062 0.625 1.00 0.00 C ATOM 451 CE2 PHE A 38 -1.967 -7.238 -0.282 1.00 0.00 C ATOM 452 CZ PHE A 38 -0.740 -7.806 -0.003 1.00 0.00 C ATOM 453 HA PHE A 38 -0.768 -2.810 -0.714 1.00 0.00 H ATOM 454 HB2 PHE A 38 -1.358 -3.628 2.153 1.00 0.00 H ATOM 455 HB3 PHE A 38 -2.547 -3.503 0.836 1.00 0.00 H ATOM 456 HD2 PHE A 38 -3.182 -5.478 -0.155 1.00 0.00 H ATOM 457 HE2 PHE A 38 -2.741 -7.825 -0.777 1.00 0.00 H ATOM 458 HZ PHE A 38 -0.544 -8.842 -0.279 1.00 0.00 H ATOM 459 HE1 PHE A 38 1.207 -7.510 0.846 1.00 0.00 H ATOM 460 HD1 PHE A 38 0.763 -5.163 1.468 1.00 0.00 H ATOM 461 H PHE A 38 1.093 -3.201 1.614 1.00 0.00 H ATOM 462 N ILE A 39 -2.158 -0.869 0.408 1.00 0.00 N ATOM 463 CA ILE A 39 -2.626 0.467 0.748 1.00 0.00 C ATOM 464 C ILE A 39 -3.720 0.410 1.811 1.00 0.00 C ATOM 465 O ILE A 39 -4.651 -0.389 1.719 1.00 0.00 O ATOM 466 CB ILE A 39 -3.162 1.204 -0.500 1.00 0.00 C ATOM 467 CG1 ILE A 39 -2.023 1.466 -1.489 1.00 0.00 C ATOM 468 CG2 ILE A 39 -3.842 2.511 -0.109 1.00 0.00 C ATOM 469 CD1 ILE A 39 -1.068 2.553 -1.044 1.00 0.00 C ATOM 470 HA ILE A 39 -1.772 1.017 1.145 1.00 0.00 H ATOM 471 HB ILE A 39 -3.905 0.568 -0.982 1.00 0.00 H ATOM 472 HG12 ILE A 39 -1.458 0.542 -1.616 1.00 0.00 H ATOM 473 HG13 ILE A 39 -2.457 1.759 -2.445 1.00 0.00 H ATOM 474 HD11 ILE A 39 -1.615 3.488 -0.923 1.00 0.00 H ATOM 475 HD12 ILE A 39 -0.615 2.270 -0.094 1.00 0.00 H ATOM 476 HD13 ILE A 39 -0.289 2.681 -1.796 1.00 0.00 H ATOM 477 HG21 ILE A 39 -4.677 2.299 0.559 1.00 0.00 H ATOM 478 HG22 ILE A 39 -3.124 3.155 0.398 1.00 0.00 H ATOM 479 HG23 ILE A 39 -4.210 3.010 -1.005 1.00 0.00 H ATOM 480 H ILE A 39 -2.775 -1.495 -0.148 1.00 0.00 H ATOM 481 N SER A 40 -3.597 1.269 2.816 1.00 0.00 N ATOM 482 CA SER A 40 -4.569 1.332 3.900 1.00 0.00 C ATOM 483 C SER A 40 -5.442 2.575 3.761 1.00 0.00 C ATOM 484 O SER A 40 -5.407 3.259 2.737 1.00 0.00 O ATOM 485 CB SER A 40 -3.854 1.334 5.253 1.00 0.00 C ATOM 486 OG SER A 40 -3.972 0.073 5.893 1.00 0.00 O ATOM 487 HA SER A 40 -5.209 0.451 3.844 1.00 0.00 H ATOM 488 HB2 SER A 40 -4.297 2.100 5.889 1.00 0.00 H ATOM 489 HB3 SER A 40 -2.799 1.558 5.098 1.00 0.00 H ATOM 490 HG SER A 40 -3.502 0.101 6.764 1.00 0.00 H ATOM 491 H SER A 40 -2.783 1.916 2.830 1.00 0.00 H ATOM 492 N HIS A 41 -6.224 2.864 4.795 1.00 0.00 N ATOM 493 CA HIS A 41 -7.107 4.025 4.787 1.00 0.00 C ATOM 494 C HIS A 41 -6.342 5.292 4.413 1.00 0.00 C ATOM 495 O HIS A 41 -5.149 5.416 4.695 1.00 0.00 O ATOM 496 CB HIS A 41 -7.766 4.201 6.157 1.00 0.00 C ATOM 497 CG HIS A 41 -9.204 4.613 6.079 1.00 0.00 C ATOM 498 ND1 HIS A 41 -10.243 3.713 5.986 1.00 0.00 N ATOM 499 CD2 HIS A 41 -9.774 5.843 6.081 1.00 0.00 C ATOM 500 CE1 HIS A 41 -11.389 4.368 5.932 1.00 0.00 C ATOM 501 NE2 HIS A 41 -11.132 5.662 5.988 1.00 0.00 N ATOM 502 HA HIS A 41 -7.880 3.855 4.037 1.00 0.00 H ATOM 503 HB2 HIS A 41 -7.707 3.254 6.693 1.00 0.00 H ATOM 504 HB3 HIS A 41 -7.217 4.964 6.709 1.00 0.00 H ATOM 505 HD2 HIS A 41 -9.252 6.798 6.145 1.00 0.00 H ATOM 506 HE1 HIS A 41 -12.378 3.917 5.854 1.00 0.00 H ATOM 507 H HIS A 41 -6.206 2.247 5.632 1.00 0.00 H ATOM 508 N VAL A 42 -7.034 6.227 3.771 1.00 0.00 N ATOM 509 CA VAL A 42 -6.418 7.482 3.355 1.00 0.00 C ATOM 510 C VAL A 42 -7.262 8.678 3.791 1.00 0.00 C ATOM 511 O VAL A 42 -8.470 8.555 3.993 1.00 0.00 O ATOM 512 CB VAL A 42 -6.206 7.521 1.827 1.00 0.00 C ATOM 513 CG1 VAL A 42 -5.508 6.253 1.358 1.00 0.00 C ATOM 514 CG2 VAL A 42 -7.527 7.703 1.094 1.00 0.00 C ATOM 515 HA VAL A 42 -5.445 7.543 3.842 1.00 0.00 H ATOM 516 HB VAL A 42 -5.573 8.377 1.595 1.00 0.00 H ATOM 517 HG11 VAL A 42 -4.539 6.170 1.850 1.00 0.00 H ATOM 518 HG12 VAL A 42 -6.121 5.388 1.611 1.00 0.00 H ATOM 519 HG13 VAL A 42 -5.366 6.296 0.278 1.00 0.00 H ATOM 520 HG21 VAL A 42 -8.191 6.872 1.333 1.00 0.00 H ATOM 521 HG22 VAL A 42 -7.988 8.640 1.406 1.00 0.00 H ATOM 522 HG23 VAL A 42 -7.345 7.727 0.020 1.00 0.00 H ATOM 523 H VAL A 42 -8.039 6.060 3.560 1.00 0.00 H ATOM 524 N LYS A 43 -6.618 9.832 3.937 1.00 0.00 N ATOM 525 CA LYS A 43 -7.312 11.045 4.352 1.00 0.00 C ATOM 526 C LYS A 43 -7.708 11.895 3.145 1.00 0.00 C ATOM 527 O LYS A 43 -7.003 11.920 2.136 1.00 0.00 O ATOM 528 CB LYS A 43 -6.428 11.863 5.296 1.00 0.00 C ATOM 529 CG LYS A 43 -5.964 11.087 6.518 1.00 0.00 C ATOM 530 CD LYS A 43 -4.875 11.835 7.271 1.00 0.00 C ATOM 531 CE LYS A 43 -3.538 11.737 6.555 1.00 0.00 C ATOM 532 NZ LYS A 43 -2.456 12.439 7.302 1.00 0.00 N ATOM 533 HA LYS A 43 -8.221 10.749 4.875 1.00 0.00 H ATOM 534 HB2 LYS A 43 -5.549 12.196 4.744 1.00 0.00 H ATOM 535 HB3 LYS A 43 -6.994 12.731 5.633 1.00 0.00 H ATOM 536 HG2 LYS A 43 -6.813 10.932 7.184 1.00 0.00 H ATOM 537 HG3 LYS A 43 -5.574 10.121 6.198 1.00 0.00 H ATOM 538 HD2 LYS A 43 -5.157 12.885 7.353 1.00 0.00 H ATOM 539 HD3 LYS A 43 -4.776 11.407 8.269 1.00 0.00 H ATOM 540 HE2 LYS A 43 -3.633 12.186 5.567 1.00 0.00 H ATOM 541 HE3 LYS A 43 -3.270 10.686 6.450 1.00 0.00 H ATOM 542 HZ1 LYS A 43 -2.701 13.445 7.401 1.00 0.00 H ATOM 543 HZ2 LYS A 43 -2.354 12.012 8.245 1.00 0.00 H ATOM 544 HZ3 LYS A 43 -1.561 12.348 6.780 1.00 0.00 H ATOM 545 H LYS A 43 -5.596 9.870 3.751 1.00 0.00 H ATOM 546 N PRO A 44 -8.847 12.605 3.236 1.00 0.00 N ATOM 547 CA PRO A 44 -9.335 13.458 2.151 1.00 0.00 C ATOM 548 C PRO A 44 -8.582 14.781 2.070 1.00 0.00 C ATOM 549 O PRO A 44 -8.188 15.346 3.090 1.00 0.00 O ATOM 550 CB PRO A 44 -10.795 13.695 2.530 1.00 0.00 C ATOM 551 CG PRO A 44 -10.807 13.630 4.019 1.00 0.00 C ATOM 552 CD PRO A 44 -9.749 12.631 4.405 1.00 0.00 C ATOM 553 HA PRO A 44 -9.200 12.998 1.172 1.00 0.00 H ATOM 554 HD3 PRO A 44 -9.217 12.954 5.300 1.00 0.00 H ATOM 555 HD2 PRO A 44 -10.187 11.648 4.580 1.00 0.00 H ATOM 556 HG3 PRO A 44 -11.784 13.303 4.375 1.00 0.00 H ATOM 557 HG2 PRO A 44 -10.576 14.608 4.442 1.00 0.00 H ATOM 558 HB2 PRO A 44 -11.130 14.673 2.184 1.00 0.00 H ATOM 559 HB3 PRO A 44 -11.435 12.922 2.105 1.00 0.00 H ATOM 560 N GLY A 45 -8.382 15.271 0.850 1.00 0.00 N ATOM 561 CA GLY A 45 -7.674 16.524 0.661 1.00 0.00 C ATOM 562 C GLY A 45 -6.189 16.323 0.422 1.00 0.00 C ATOM 563 O GLY A 45 -5.530 17.173 -0.176 1.00 0.00 O ATOM 564 HA3 GLY A 45 -7.805 17.138 1.552 1.00 0.00 H ATOM 565 HA2 GLY A 45 -8.100 17.040 -0.199 1.00 0.00 H ATOM 566 H GLY A 45 -8.737 14.751 0.022 1.00 0.00 H ATOM 567 N SER A 46 -5.664 15.196 0.893 1.00 0.00 N ATOM 568 CA SER A 46 -4.249 14.883 0.730 1.00 0.00 C ATOM 569 C SER A 46 -3.942 14.479 -0.710 1.00 0.00 C ATOM 570 O SER A 46 -4.830 14.461 -1.562 1.00 0.00 O ATOM 571 CB SER A 46 -3.852 13.756 1.681 1.00 0.00 C ATOM 572 OG SER A 46 -4.547 13.859 2.912 1.00 0.00 O ATOM 573 HA SER A 46 -3.671 15.777 0.967 1.00 0.00 H ATOM 574 HB2 SER A 46 -2.780 13.811 1.871 1.00 0.00 H ATOM 575 HB3 SER A 46 -4.089 12.798 1.217 1.00 0.00 H ATOM 576 HG SER A 46 -5.521 13.805 2.745 1.00 0.00 H ATOM 577 H SER A 46 -6.278 14.520 1.391 1.00 0.00 H ATOM 578 N LEU A 47 -2.681 14.152 -0.972 1.00 0.00 N ATOM 579 CA LEU A 47 -2.260 13.746 -2.308 1.00 0.00 C ATOM 580 C LEU A 47 -2.819 12.371 -2.656 1.00 0.00 C ATOM 581 O LEU A 47 -3.174 12.106 -3.805 1.00 0.00 O ATOM 582 CB LEU A 47 -0.732 13.725 -2.401 1.00 0.00 C ATOM 583 CG LEU A 47 -0.059 15.094 -2.286 1.00 0.00 C ATOM 584 CD1 LEU A 47 1.378 14.940 -1.812 1.00 0.00 C ATOM 585 CD2 LEU A 47 -0.109 15.822 -3.620 1.00 0.00 C ATOM 586 HA LEU A 47 -2.650 14.471 -3.022 1.00 0.00 H ATOM 587 HB2 LEU A 47 -0.353 13.093 -1.598 1.00 0.00 H ATOM 588 HB3 LEU A 47 -0.457 13.292 -3.363 1.00 0.00 H ATOM 589 HG LEU A 47 -0.601 15.688 -1.550 1.00 0.00 H ATOM 590 HD21 LEU A 47 0.411 15.232 -4.374 1.00 0.00 H ATOM 591 HD22 LEU A 47 -1.148 15.960 -3.918 1.00 0.00 H ATOM 592 HD23 LEU A 47 0.374 16.794 -3.520 1.00 0.00 H ATOM 593 HD11 LEU A 47 1.387 14.456 -0.835 1.00 0.00 H ATOM 594 HD12 LEU A 47 1.931 14.330 -2.526 1.00 0.00 H ATOM 595 HD13 LEU A 47 1.842 15.924 -1.736 1.00 0.00 H ATOM 596 H LEU A 47 -1.978 14.186 -0.206 1.00 0.00 H ATOM 597 N SER A 48 -2.895 11.501 -1.654 1.00 0.00 N ATOM 598 CA SER A 48 -3.411 10.148 -1.843 1.00 0.00 C ATOM 599 C SER A 48 -4.783 10.174 -2.509 1.00 0.00 C ATOM 600 O SER A 48 -5.014 9.494 -3.508 1.00 0.00 O ATOM 601 CB SER A 48 -3.502 9.432 -0.496 1.00 0.00 C ATOM 602 OG SER A 48 -3.985 8.109 -0.651 1.00 0.00 O ATOM 603 HA SER A 48 -2.724 9.609 -2.495 1.00 0.00 H ATOM 604 HB2 SER A 48 -4.179 9.984 0.156 1.00 0.00 H ATOM 605 HB3 SER A 48 -2.511 9.398 -0.043 1.00 0.00 H ATOM 606 HG SER A 48 -4.033 7.671 0.235 1.00 0.00 H ATOM 607 H SER A 48 -2.578 11.792 -0.707 1.00 0.00 H ATOM 608 N ALA A 49 -5.689 10.967 -1.950 1.00 0.00 N ATOM 609 CA ALA A 49 -7.036 11.085 -2.489 1.00 0.00 C ATOM 610 C ALA A 49 -7.018 11.769 -3.849 1.00 0.00 C ATOM 611 O ALA A 49 -7.829 11.463 -4.723 1.00 0.00 O ATOM 612 CB ALA A 49 -7.918 11.860 -1.527 1.00 0.00 C ATOM 613 HA ALA A 49 -7.443 10.082 -2.615 1.00 0.00 H ATOM 614 HB1 ALA A 49 -7.959 11.336 -0.572 1.00 0.00 H ATOM 615 HB2 ALA A 49 -7.503 12.857 -1.379 1.00 0.00 H ATOM 616 HB3 ALA A 49 -8.923 11.941 -1.942 1.00 0.00 H ATOM 617 H ALA A 49 -5.430 11.517 -1.106 1.00 0.00 H ATOM 618 N GLU A 50 -6.090 12.702 -4.014 1.00 0.00 N ATOM 619 CA GLU A 50 -5.960 13.443 -5.260 1.00 0.00 C ATOM 620 C GLU A 50 -5.530 12.527 -6.403 1.00 0.00 C ATOM 621 O GLU A 50 -5.887 12.755 -7.559 1.00 0.00 O ATOM 622 CB GLU A 50 -4.952 14.578 -5.090 1.00 0.00 C ATOM 623 CG GLU A 50 -5.575 15.879 -4.609 1.00 0.00 C ATOM 624 CD GLU A 50 -5.597 16.949 -5.684 1.00 0.00 C ATOM 625 OE1 GLU A 50 -4.610 17.044 -6.445 1.00 0.00 O ATOM 626 OE2 GLU A 50 -6.598 17.689 -5.765 1.00 0.00 O ATOM 627 HA GLU A 50 -6.935 13.862 -5.510 1.00 0.00 H ATOM 628 HB2 GLU A 50 -4.201 14.266 -4.364 1.00 0.00 H ATOM 629 HB3 GLU A 50 -4.472 14.760 -6.052 1.00 0.00 H ATOM 630 HG2 GLU A 50 -6.599 15.680 -4.293 1.00 0.00 H ATOM 631 HG3 GLU A 50 -5.000 16.249 -3.760 1.00 0.00 H ATOM 632 H GLU A 50 -5.437 12.910 -3.232 1.00 0.00 H ATOM 633 N VAL A 51 -4.759 11.494 -6.075 1.00 0.00 N ATOM 634 CA VAL A 51 -4.286 10.548 -7.081 1.00 0.00 C ATOM 635 C VAL A 51 -5.280 9.408 -7.284 1.00 0.00 C ATOM 636 O VAL A 51 -5.263 8.736 -8.314 1.00 0.00 O ATOM 637 CB VAL A 51 -2.917 9.953 -6.693 1.00 0.00 C ATOM 638 CG1 VAL A 51 -1.840 11.028 -6.696 1.00 0.00 C ATOM 639 CG2 VAL A 51 -2.997 9.270 -5.336 1.00 0.00 C ATOM 640 HA VAL A 51 -4.185 11.106 -8.012 1.00 0.00 H ATOM 641 HB VAL A 51 -2.646 9.204 -7.437 1.00 0.00 H ATOM 642 HG11 VAL A 51 -1.765 11.463 -7.693 1.00 0.00 H ATOM 643 HG12 VAL A 51 -2.102 11.805 -5.978 1.00 0.00 H ATOM 644 HG13 VAL A 51 -0.884 10.584 -6.419 1.00 0.00 H ATOM 645 HG21 VAL A 51 -3.294 9.998 -4.581 1.00 0.00 H ATOM 646 HG22 VAL A 51 -3.733 8.467 -5.378 1.00 0.00 H ATOM 647 HG23 VAL A 51 -2.021 8.857 -5.081 1.00 0.00 H ATOM 648 H VAL A 51 -4.487 11.357 -5.080 1.00 0.00 H ATOM 649 N GLY A 52 -6.142 9.192 -6.294 1.00 0.00 N ATOM 650 CA GLY A 52 -7.125 8.128 -6.387 1.00 0.00 C ATOM 651 C GLY A 52 -6.703 6.894 -5.616 1.00 0.00 C ATOM 652 O GLY A 52 -6.912 5.767 -6.067 1.00 0.00 O ATOM 653 HA3 GLY A 52 -7.256 7.860 -7.436 1.00 0.00 H ATOM 654 HA2 GLY A 52 -8.072 8.488 -5.985 1.00 0.00 H ATOM 655 H GLY A 52 -6.111 9.792 -5.445 1.00 0.00 H ATOM 656 N LEU A 53 -6.103 7.110 -4.452 1.00 0.00 N ATOM 657 CA LEU A 53 -5.641 6.014 -3.610 1.00 0.00 C ATOM 658 C LEU A 53 -6.727 5.579 -2.630 1.00 0.00 C ATOM 659 O LEU A 53 -7.655 6.334 -2.341 1.00 0.00 O ATOM 660 CB LEU A 53 -4.386 6.435 -2.845 1.00 0.00 C ATOM 661 CG LEU A 53 -3.063 6.120 -3.544 1.00 0.00 C ATOM 662 CD1 LEU A 53 -1.935 6.948 -2.950 1.00 0.00 C ATOM 663 CD2 LEU A 53 -2.747 4.637 -3.442 1.00 0.00 C ATOM 664 HA LEU A 53 -5.404 5.167 -4.254 1.00 0.00 H ATOM 665 HB2 LEU A 53 -4.434 7.512 -2.683 1.00 0.00 H ATOM 666 HB3 LEU A 53 -4.390 5.924 -1.882 1.00 0.00 H ATOM 667 HG LEU A 53 -3.161 6.379 -4.598 1.00 0.00 H ATOM 668 HD21 LEU A 53 -2.669 4.355 -2.392 1.00 0.00 H ATOM 669 HD22 LEU A 53 -3.544 4.064 -3.916 1.00 0.00 H ATOM 670 HD23 LEU A 53 -1.802 4.433 -3.945 1.00 0.00 H ATOM 671 HD11 LEU A 53 -2.159 8.007 -3.076 1.00 0.00 H ATOM 672 HD12 LEU A 53 -1.838 6.719 -1.889 1.00 0.00 H ATOM 673 HD13 LEU A 53 -1.002 6.709 -3.461 1.00 0.00 H ATOM 674 H LEU A 53 -5.959 8.089 -4.132 1.00 0.00 H ATOM 675 N GLU A 54 -6.600 4.357 -2.123 1.00 0.00 N ATOM 676 CA GLU A 54 -7.566 3.815 -1.173 1.00 0.00 C ATOM 677 C GLU A 54 -7.186 2.396 -0.766 1.00 0.00 C ATOM 678 O GLU A 54 -6.277 1.797 -1.342 1.00 0.00 O ATOM 679 CB GLU A 54 -8.973 3.826 -1.775 1.00 0.00 C ATOM 680 CG GLU A 54 -9.068 3.106 -3.111 1.00 0.00 C ATOM 681 CD GLU A 54 -10.475 3.104 -3.674 1.00 0.00 C ATOM 682 OE1 GLU A 54 -11.336 2.388 -3.122 1.00 0.00 O ATOM 683 OE2 GLU A 54 -10.716 3.822 -4.669 1.00 0.00 O ATOM 684 HA GLU A 54 -7.557 4.446 -0.284 1.00 0.00 H ATOM 685 HB2 GLU A 54 -9.652 3.342 -1.073 1.00 0.00 H ATOM 686 HB3 GLU A 54 -9.279 4.862 -1.919 1.00 0.00 H ATOM 687 HG2 GLU A 54 -8.408 3.602 -3.823 1.00 0.00 H ATOM 688 HG3 GLU A 54 -8.745 2.074 -2.975 1.00 0.00 H ATOM 689 H GLU A 54 -5.790 3.771 -2.411 1.00 0.00 H ATOM 690 N ILE A 55 -7.885 1.859 0.230 1.00 0.00 N ATOM 691 CA ILE A 55 -7.617 0.509 0.709 1.00 0.00 C ATOM 692 C ILE A 55 -7.816 -0.518 -0.400 1.00 0.00 C ATOM 693 O ILE A 55 -8.662 -0.342 -1.277 1.00 0.00 O ATOM 694 CB ILE A 55 -8.522 0.143 1.902 1.00 0.00 C ATOM 695 CG1 ILE A 55 -8.470 1.240 2.968 1.00 0.00 C ATOM 696 CG2 ILE A 55 -8.105 -1.199 2.491 1.00 0.00 C ATOM 697 CD1 ILE A 55 -9.827 1.820 3.304 1.00 0.00 C ATOM 698 HA ILE A 55 -6.577 0.491 1.035 1.00 0.00 H ATOM 699 HB ILE A 55 -9.549 0.059 1.547 1.00 0.00 H ATOM 700 HG12 ILE A 55 -8.040 0.818 3.877 1.00 0.00 H ATOM 701 HG13 ILE A 55 -7.831 2.045 2.605 1.00 0.00 H ATOM 702 HD11 ILE A 55 -10.266 2.256 2.407 1.00 0.00 H ATOM 703 HD12 ILE A 55 -10.476 1.029 3.680 1.00 0.00 H ATOM 704 HD13 ILE A 55 -9.713 2.591 4.066 1.00 0.00 H ATOM 705 HG21 ILE A 55 -8.192 -1.972 1.728 1.00 0.00 H ATOM 706 HG22 ILE A 55 -7.072 -1.139 2.833 1.00 0.00 H ATOM 707 HG23 ILE A 55 -8.754 -1.443 3.332 1.00 0.00 H ATOM 708 H ILE A 55 -8.641 2.416 0.678 1.00 0.00 H ATOM 709 N GLY A 56 -7.032 -1.589 -0.355 1.00 0.00 N ATOM 710 CA GLY A 56 -7.138 -2.628 -1.362 1.00 0.00 C ATOM 711 C GLY A 56 -6.015 -2.569 -2.378 1.00 0.00 C ATOM 712 O GLY A 56 -5.467 -3.599 -2.768 1.00 0.00 O ATOM 713 HA3 GLY A 56 -8.088 -2.514 -1.884 1.00 0.00 H ATOM 714 HA2 GLY A 56 -7.111 -3.599 -0.867 1.00 0.00 H ATOM 715 H GLY A 56 -6.334 -1.684 0.410 1.00 0.00 H ATOM 716 N ASP A 57 -5.672 -1.361 -2.809 1.00 0.00 N ATOM 717 CA ASP A 57 -4.606 -1.171 -3.787 1.00 0.00 C ATOM 718 C ASP A 57 -3.306 -1.817 -3.313 1.00 0.00 C ATOM 719 O ASP A 57 -3.194 -2.228 -2.158 1.00 0.00 O ATOM 720 CB ASP A 57 -4.387 0.320 -4.042 1.00 0.00 C ATOM 721 CG ASP A 57 -5.517 0.943 -4.838 1.00 0.00 C ATOM 722 OD1 ASP A 57 -5.909 0.358 -5.871 1.00 0.00 O ATOM 723 OD2 ASP A 57 -6.013 2.015 -4.430 1.00 0.00 O ATOM 724 HA ASP A 57 -4.908 -1.653 -4.717 1.00 0.00 H ATOM 725 HB2 ASP A 57 -4.311 0.832 -3.083 1.00 0.00 H ATOM 726 HB3 ASP A 57 -3.457 0.448 -4.596 1.00 0.00 H ATOM 727 H ASP A 57 -6.176 -0.529 -2.440 1.00 0.00 H ATOM 728 N GLN A 58 -2.330 -1.905 -4.211 1.00 0.00 N ATOM 729 CA GLN A 58 -1.041 -2.503 -3.881 1.00 0.00 C ATOM 730 C GLN A 58 0.079 -1.890 -4.717 1.00 0.00 C ATOM 731 O GLN A 58 0.128 -2.071 -5.935 1.00 0.00 O ATOM 732 CB GLN A 58 -1.089 -4.018 -4.101 1.00 0.00 C ATOM 733 CG GLN A 58 -0.559 -4.820 -2.925 1.00 0.00 C ATOM 734 CD GLN A 58 0.679 -5.623 -3.274 1.00 0.00 C ATOM 735 OE1 GLN A 58 1.789 -5.288 -2.860 1.00 0.00 O ATOM 736 NE2 GLN A 58 0.494 -6.693 -4.040 1.00 0.00 N ATOM 737 HA GLN A 58 -0.834 -2.300 -2.830 1.00 0.00 H ATOM 738 HB2 GLN A 58 -2.125 -4.308 -4.278 1.00 0.00 H ATOM 739 HB3 GLN A 58 -0.491 -4.258 -4.980 1.00 0.00 H ATOM 740 HG2 GLN A 58 -0.312 -4.132 -2.116 1.00 0.00 H ATOM 741 HG3 GLN A 58 -1.337 -5.506 -2.592 1.00 0.00 H ATOM 742 HE22 GLN A 58 -0.462 -6.939 -4.367 1.00 0.00 H ATOM 743 HE21 GLN A 58 1.305 -7.284 -4.312 1.00 0.00 H ATOM 744 H GLN A 58 -2.489 -1.539 -5.171 1.00 0.00 H ATOM 745 N ILE A 59 0.977 -1.167 -4.057 1.00 0.00 N ATOM 746 CA ILE A 59 2.096 -0.529 -4.738 1.00 0.00 C ATOM 747 C ILE A 59 3.092 -1.569 -5.243 1.00 0.00 C ATOM 748 O ILE A 59 3.623 -2.363 -4.466 1.00 0.00 O ATOM 749 CB ILE A 59 2.829 0.459 -3.808 1.00 0.00 C ATOM 750 CG1 ILE A 59 1.831 1.424 -3.164 1.00 0.00 C ATOM 751 CG2 ILE A 59 3.892 1.229 -4.580 1.00 0.00 C ATOM 752 CD1 ILE A 59 2.443 2.294 -2.087 1.00 0.00 C ATOM 753 HA ILE A 59 1.684 0.019 -5.585 1.00 0.00 H ATOM 754 HB ILE A 59 3.321 -0.109 -3.018 1.00 0.00 H ATOM 755 HG12 ILE A 59 1.425 2.071 -3.942 1.00 0.00 H ATOM 756 HG13 ILE A 59 1.024 0.841 -2.720 1.00 0.00 H ATOM 757 HD11 ILE A 59 2.844 1.661 -1.295 1.00 0.00 H ATOM 758 HD12 ILE A 59 3.246 2.892 -2.518 1.00 0.00 H ATOM 759 HD13 ILE A 59 1.678 2.952 -1.675 1.00 0.00 H ATOM 760 HG21 ILE A 59 4.617 0.528 -4.995 1.00 0.00 H ATOM 761 HG22 ILE A 59 3.419 1.787 -5.388 1.00 0.00 H ATOM 762 HG23 ILE A 59 4.398 1.921 -3.907 1.00 0.00 H ATOM 763 H ILE A 59 0.879 -1.053 -3.028 1.00 0.00 H ATOM 764 N VAL A 60 3.334 -1.563 -6.550 1.00 0.00 N ATOM 765 CA VAL A 60 4.260 -2.512 -7.159 1.00 0.00 C ATOM 766 C VAL A 60 5.520 -1.822 -7.675 1.00 0.00 C ATOM 767 O VAL A 60 6.338 -2.442 -8.355 1.00 0.00 O ATOM 768 CB VAL A 60 3.593 -3.272 -8.320 1.00 0.00 C ATOM 769 CG1 VAL A 60 2.450 -4.135 -7.809 1.00 0.00 C ATOM 770 CG2 VAL A 60 3.103 -2.301 -9.385 1.00 0.00 C ATOM 771 HA VAL A 60 4.541 -3.218 -6.377 1.00 0.00 H ATOM 772 HB VAL A 60 4.337 -3.927 -8.774 1.00 0.00 H ATOM 773 HG11 VAL A 60 2.835 -4.857 -7.089 1.00 0.00 H ATOM 774 HG12 VAL A 60 1.705 -3.501 -7.327 1.00 0.00 H ATOM 775 HG13 VAL A 60 1.993 -4.663 -8.646 1.00 0.00 H ATOM 776 HG21 VAL A 60 2.376 -1.618 -8.945 1.00 0.00 H ATOM 777 HG22 VAL A 60 3.948 -1.733 -9.774 1.00 0.00 H ATOM 778 HG23 VAL A 60 2.635 -2.859 -10.196 1.00 0.00 H ATOM 779 H VAL A 60 2.852 -0.866 -7.153 1.00 0.00 H ATOM 780 N GLU A 61 5.679 -0.541 -7.353 1.00 0.00 N ATOM 781 CA GLU A 61 6.849 0.214 -7.792 1.00 0.00 C ATOM 782 C GLU A 61 6.891 1.593 -7.143 1.00 0.00 C ATOM 783 O GLU A 61 5.854 2.197 -6.871 1.00 0.00 O ATOM 784 CB GLU A 61 6.850 0.355 -9.315 1.00 0.00 C ATOM 785 CG GLU A 61 8.243 0.403 -9.920 1.00 0.00 C ATOM 786 CD GLU A 61 8.485 1.660 -10.734 1.00 0.00 C ATOM 787 OE1 GLU A 61 7.967 2.728 -10.345 1.00 0.00 O ATOM 788 OE2 GLU A 61 9.192 1.575 -11.761 1.00 0.00 O ATOM 789 HA GLU A 61 7.737 -0.337 -7.483 1.00 0.00 H ATOM 790 HB2 GLU A 61 6.318 -0.496 -9.741 1.00 0.00 H ATOM 791 HB3 GLU A 61 6.328 1.276 -9.577 1.00 0.00 H ATOM 792 HG2 GLU A 61 8.975 0.363 -9.114 1.00 0.00 H ATOM 793 HG3 GLU A 61 8.372 -0.463 -10.569 1.00 0.00 H ATOM 794 H GLU A 61 4.955 -0.067 -6.776 1.00 0.00 H ATOM 795 N VAL A 62 8.102 2.086 -6.903 1.00 0.00 N ATOM 796 CA VAL A 62 8.290 3.395 -6.291 1.00 0.00 C ATOM 797 C VAL A 62 9.633 3.997 -6.697 1.00 0.00 C ATOM 798 O VAL A 62 10.675 3.642 -6.148 1.00 0.00 O ATOM 799 CB VAL A 62 8.218 3.317 -4.752 1.00 0.00 C ATOM 800 CG1 VAL A 62 8.342 4.703 -4.134 1.00 0.00 C ATOM 801 CG2 VAL A 62 6.925 2.644 -4.313 1.00 0.00 C ATOM 802 HA VAL A 62 7.481 4.032 -6.649 1.00 0.00 H ATOM 803 HB VAL A 62 9.055 2.715 -4.400 1.00 0.00 H ATOM 804 HG11 VAL A 62 9.298 5.143 -4.420 1.00 0.00 H ATOM 805 HG12 VAL A 62 7.529 5.334 -4.493 1.00 0.00 H ATOM 806 HG13 VAL A 62 8.288 4.621 -3.048 1.00 0.00 H ATOM 807 HG21 VAL A 62 6.075 3.219 -4.679 1.00 0.00 H ATOM 808 HG22 VAL A 62 6.885 1.634 -4.722 1.00 0.00 H ATOM 809 HG23 VAL A 62 6.892 2.598 -3.224 1.00 0.00 H ATOM 810 H VAL A 62 8.938 1.522 -7.159 1.00 0.00 H ATOM 811 N ASN A 63 9.597 4.910 -7.663 1.00 0.00 N ATOM 812 CA ASN A 63 10.811 5.563 -8.144 1.00 0.00 C ATOM 813 C ASN A 63 11.757 4.551 -8.782 1.00 0.00 C ATOM 814 O ASN A 63 12.977 4.718 -8.744 1.00 0.00 O ATOM 815 CB ASN A 63 11.517 6.287 -6.996 1.00 0.00 C ATOM 816 CG ASN A 63 12.142 7.595 -7.437 1.00 0.00 C ATOM 817 OD1 ASN A 63 12.618 7.721 -8.564 1.00 0.00 O ATOM 818 ND2 ASN A 63 12.143 8.580 -6.545 1.00 0.00 N ATOM 819 HA ASN A 63 10.525 6.293 -8.901 1.00 0.00 H ATOM 820 HB2 ASN A 63 10.789 6.493 -6.211 1.00 0.00 H ATOM 821 HB3 ASN A 63 12.300 5.639 -6.602 1.00 0.00 H ATOM 822 HD22 ASN A 63 11.729 8.429 -5.603 1.00 0.00 H ATOM 823 HD21 ASN A 63 12.558 9.502 -6.789 1.00 0.00 H ATOM 824 H ASN A 63 8.682 5.165 -8.086 1.00 0.00 H ATOM 825 N GLY A 64 11.189 3.500 -9.366 1.00 0.00 N ATOM 826 CA GLY A 64 12.001 2.479 -10.004 1.00 0.00 C ATOM 827 C GLY A 64 12.128 1.228 -9.157 1.00 0.00 C ATOM 828 O GLY A 64 12.281 0.126 -9.685 1.00 0.00 O ATOM 829 HA3 GLY A 64 12.997 2.884 -10.182 1.00 0.00 H ATOM 830 HA2 GLY A 64 11.543 2.212 -10.957 1.00 0.00 H ATOM 831 H GLY A 64 10.153 3.408 -9.366 1.00 0.00 H ATOM 832 N VAL A 65 12.068 1.398 -7.841 1.00 0.00 N ATOM 833 CA VAL A 65 12.178 0.275 -6.920 1.00 0.00 C ATOM 834 C VAL A 65 10.948 -0.624 -6.999 1.00 0.00 C ATOM 835 O VAL A 65 9.831 -0.190 -6.721 1.00 0.00 O ATOM 836 CB VAL A 65 12.355 0.754 -5.467 1.00 0.00 C ATOM 837 CG1 VAL A 65 12.666 -0.417 -4.550 1.00 0.00 C ATOM 838 CG2 VAL A 65 13.445 1.811 -5.383 1.00 0.00 C ATOM 839 HA VAL A 65 13.060 -0.292 -7.218 1.00 0.00 H ATOM 840 HB VAL A 65 11.418 1.203 -5.136 1.00 0.00 H ATOM 841 HG11 VAL A 65 11.846 -1.134 -4.588 1.00 0.00 H ATOM 842 HG12 VAL A 65 13.587 -0.899 -4.878 1.00 0.00 H ATOM 843 HG13 VAL A 65 12.787 -0.055 -3.529 1.00 0.00 H ATOM 844 HG21 VAL A 65 14.387 1.389 -5.734 1.00 0.00 H ATOM 845 HG22 VAL A 65 13.172 2.663 -6.006 1.00 0.00 H ATOM 846 HG23 VAL A 65 13.555 2.137 -4.349 1.00 0.00 H ATOM 847 H VAL A 65 11.939 2.357 -7.459 1.00 0.00 H ATOM 848 N ASP A 66 11.163 -1.878 -7.381 1.00 0.00 N ATOM 849 CA ASP A 66 10.071 -2.840 -7.498 1.00 0.00 C ATOM 850 C ASP A 66 9.506 -3.190 -6.126 1.00 0.00 C ATOM 851 O ASP A 66 10.233 -3.643 -5.241 1.00 0.00 O ATOM 852 CB ASP A 66 10.554 -4.109 -8.202 1.00 0.00 C ATOM 853 CG ASP A 66 10.971 -3.852 -9.638 1.00 0.00 C ATOM 854 OD1 ASP A 66 11.451 -2.736 -9.926 1.00 0.00 O ATOM 855 OD2 ASP A 66 10.816 -4.768 -10.473 1.00 0.00 O ATOM 856 HA ASP A 66 9.279 -2.383 -8.092 1.00 0.00 H ATOM 857 HB2 ASP A 66 11.408 -4.509 -7.656 1.00 0.00 H ATOM 858 HB3 ASP A 66 9.746 -4.841 -8.198 1.00 0.00 H ATOM 859 H ASP A 66 12.133 -2.182 -7.602 1.00 0.00 H ATOM 860 N PHE A 67 8.206 -2.979 -5.955 1.00 0.00 N ATOM 861 CA PHE A 67 7.545 -3.275 -4.690 1.00 0.00 C ATOM 862 C PHE A 67 6.833 -4.625 -4.742 1.00 0.00 C ATOM 863 O PHE A 67 5.937 -4.893 -3.942 1.00 0.00 O ATOM 864 CB PHE A 67 6.543 -2.170 -4.345 1.00 0.00 C ATOM 865 CG PHE A 67 7.144 -1.031 -3.572 1.00 0.00 C ATOM 866 CD1 PHE A 67 8.392 -0.531 -3.906 1.00 0.00 C ATOM 867 CD2 PHE A 67 6.459 -0.460 -2.511 1.00 0.00 C ATOM 868 CE1 PHE A 67 8.946 0.518 -3.197 1.00 0.00 C ATOM 869 CE2 PHE A 67 7.009 0.589 -1.797 1.00 0.00 C ATOM 870 CZ PHE A 67 8.255 1.078 -2.141 1.00 0.00 C ATOM 871 HA PHE A 67 8.310 -3.322 -3.915 1.00 0.00 H ATOM 872 HB2 PHE A 67 6.131 -1.776 -5.274 1.00 0.00 H ATOM 873 HB3 PHE A 67 5.741 -2.606 -3.749 1.00 0.00 H ATOM 874 HD2 PHE A 67 5.476 -0.842 -2.236 1.00 0.00 H ATOM 875 HE2 PHE A 67 6.461 1.029 -0.964 1.00 0.00 H ATOM 876 HZ PHE A 67 8.691 1.904 -1.580 1.00 0.00 H ATOM 877 HE1 PHE A 67 9.928 0.903 -3.471 1.00 0.00 H ATOM 878 HD1 PHE A 67 8.943 -0.970 -4.738 1.00 0.00 H ATOM 879 H PHE A 67 7.646 -2.593 -6.742 1.00 0.00 H ATOM 880 N SER A 68 7.235 -5.470 -5.687 1.00 0.00 N ATOM 881 CA SER A 68 6.633 -6.791 -5.834 1.00 0.00 C ATOM 882 C SER A 68 6.840 -7.619 -4.570 1.00 0.00 C ATOM 883 O SER A 68 5.935 -8.322 -4.120 1.00 0.00 O ATOM 884 CB SER A 68 7.232 -7.518 -7.039 1.00 0.00 C ATOM 885 OG SER A 68 6.241 -8.249 -7.739 1.00 0.00 O ATOM 886 HA SER A 68 5.563 -6.662 -5.995 1.00 0.00 H ATOM 887 HB2 SER A 68 8.004 -8.206 -6.693 1.00 0.00 H ATOM 888 HB3 SER A 68 7.676 -6.785 -7.713 1.00 0.00 H ATOM 889 HG SER A 68 6.656 -8.708 -8.512 1.00 0.00 H ATOM 890 H SER A 68 7.995 -5.183 -6.336 1.00 0.00 H ATOM 891 N ASN A 69 8.037 -7.525 -4.001 1.00 0.00 N ATOM 892 CA ASN A 69 8.367 -8.258 -2.786 1.00 0.00 C ATOM 893 C ASN A 69 9.180 -7.385 -1.834 1.00 0.00 C ATOM 894 O ASN A 69 9.982 -7.887 -1.047 1.00 0.00 O ATOM 895 CB ASN A 69 9.148 -9.529 -3.127 1.00 0.00 C ATOM 896 CG ASN A 69 10.297 -9.263 -4.082 1.00 0.00 C ATOM 897 OD1 ASN A 69 10.085 -8.960 -5.255 1.00 0.00 O ATOM 898 ND2 ASN A 69 11.521 -9.378 -3.581 1.00 0.00 N ATOM 899 HA ASN A 69 7.436 -8.537 -2.292 1.00 0.00 H ATOM 900 HB2 ASN A 69 9.549 -9.952 -2.206 1.00 0.00 H ATOM 901 HB3 ASN A 69 8.468 -10.245 -3.588 1.00 0.00 H ATOM 902 HD22 ASN A 69 11.652 -9.637 -2.582 1.00 0.00 H ATOM 903 HD21 ASN A 69 12.349 -9.209 -4.187 1.00 0.00 H ATOM 904 H ASN A 69 8.757 -6.912 -4.434 1.00 0.00 H ATOM 905 N LEU A 70 8.967 -6.075 -1.914 1.00 0.00 N ATOM 906 CA LEU A 70 9.679 -5.130 -1.061 1.00 0.00 C ATOM 907 C LEU A 70 9.192 -5.227 0.381 1.00 0.00 C ATOM 908 O LEU A 70 7.999 -5.398 0.634 1.00 0.00 O ATOM 909 CB LEU A 70 9.495 -3.702 -1.581 1.00 0.00 C ATOM 910 CG LEU A 70 10.190 -2.616 -0.754 1.00 0.00 C ATOM 911 CD1 LEU A 70 11.343 -2.004 -1.533 1.00 0.00 C ATOM 912 CD2 LEU A 70 9.196 -1.541 -0.336 1.00 0.00 C ATOM 913 HA LEU A 70 10.739 -5.383 -1.085 1.00 0.00 H ATOM 914 HB2 LEU A 70 9.889 -3.658 -2.596 1.00 0.00 H ATOM 915 HB3 LEU A 70 8.427 -3.483 -1.598 1.00 0.00 H ATOM 916 HG LEU A 70 10.593 -3.079 0.147 1.00 0.00 H ATOM 917 HD21 LEU A 70 8.761 -1.084 -1.225 1.00 0.00 H ATOM 918 HD22 LEU A 70 8.406 -1.992 0.265 1.00 0.00 H ATOM 919 HD23 LEU A 70 9.711 -0.780 0.250 1.00 0.00 H ATOM 920 HD11 LEU A 70 12.068 -2.781 -1.777 1.00 0.00 H ATOM 921 HD12 LEU A 70 10.963 -1.559 -2.452 1.00 0.00 H ATOM 922 HD13 LEU A 70 11.822 -1.235 -0.927 1.00 0.00 H ATOM 923 H LEU A 70 8.275 -5.715 -2.602 1.00 0.00 H ATOM 924 N ASP A 71 10.124 -5.120 1.323 1.00 0.00 N ATOM 925 CA ASP A 71 9.789 -5.197 2.741 1.00 0.00 C ATOM 926 C ASP A 71 8.903 -4.027 3.157 1.00 0.00 C ATOM 927 O ASP A 71 8.925 -2.965 2.536 1.00 0.00 O ATOM 928 CB ASP A 71 11.064 -5.211 3.586 1.00 0.00 C ATOM 929 CG ASP A 71 10.948 -6.126 4.791 1.00 0.00 C ATOM 930 OD1 ASP A 71 10.724 -7.338 4.596 1.00 0.00 O ATOM 931 OD2 ASP A 71 11.082 -5.629 5.928 1.00 0.00 O ATOM 932 HA ASP A 71 9.238 -6.123 2.909 1.00 0.00 H ATOM 933 HB2 ASP A 71 11.892 -5.552 2.965 1.00 0.00 H ATOM 934 HB3 ASP A 71 11.265 -4.198 3.933 1.00 0.00 H ATOM 935 H ASP A 71 11.115 -4.978 1.043 1.00 0.00 H ATOM 936 N HIS A 72 8.122 -4.231 4.215 1.00 0.00 N ATOM 937 CA HIS A 72 7.228 -3.195 4.718 1.00 0.00 C ATOM 938 C HIS A 72 8.005 -1.938 5.094 1.00 0.00 C ATOM 939 O HIS A 72 7.704 -0.842 4.616 1.00 0.00 O ATOM 940 CB HIS A 72 6.453 -3.712 5.933 1.00 0.00 C ATOM 941 CG HIS A 72 5.258 -2.879 6.281 1.00 0.00 C ATOM 942 ND1 HIS A 72 5.052 -1.611 5.780 1.00 0.00 N ATOM 943 CD2 HIS A 72 4.202 -3.140 7.085 1.00 0.00 C ATOM 944 CE1 HIS A 72 3.921 -1.128 6.264 1.00 0.00 C ATOM 945 NE2 HIS A 72 3.386 -2.036 7.058 1.00 0.00 N ATOM 946 HA HIS A 72 6.525 -2.940 3.925 1.00 0.00 H ATOM 947 HB2 HIS A 72 6.116 -4.727 5.721 1.00 0.00 H ATOM 948 HB3 HIS A 72 7.125 -3.726 6.791 1.00 0.00 H ATOM 949 HD2 HIS A 72 4.031 -4.057 7.650 1.00 0.00 H ATOM 950 HE1 HIS A 72 3.501 -0.146 6.045 1.00 0.00 H ATOM 951 H HIS A 72 8.150 -5.153 4.695 1.00 0.00 H ATOM 952 N LYS A 73 9.006 -2.102 5.952 1.00 0.00 N ATOM 953 CA LYS A 73 9.829 -0.981 6.393 1.00 0.00 C ATOM 954 C LYS A 73 10.473 -0.276 5.203 1.00 0.00 C ATOM 955 O LYS A 73 10.559 0.950 5.168 1.00 0.00 O ATOM 956 CB LYS A 73 10.910 -1.464 7.362 1.00 0.00 C ATOM 957 CG LYS A 73 10.454 -1.501 8.813 1.00 0.00 C ATOM 958 CD LYS A 73 11.603 -1.838 9.751 1.00 0.00 C ATOM 959 CE LYS A 73 11.711 -0.830 10.884 1.00 0.00 C ATOM 960 NZ LYS A 73 11.890 0.559 10.377 1.00 0.00 N ATOM 961 HA LYS A 73 9.183 -0.269 6.907 1.00 0.00 H ATOM 962 HB2 LYS A 73 11.211 -2.470 7.069 1.00 0.00 H ATOM 963 HB3 LYS A 73 11.766 -0.793 7.286 1.00 0.00 H ATOM 964 HG2 LYS A 73 10.051 -0.525 9.083 1.00 0.00 H ATOM 965 HG3 LYS A 73 9.676 -2.256 8.921 1.00 0.00 H ATOM 966 HD2 LYS A 73 11.437 -2.829 10.173 1.00 0.00 H ATOM 967 HD3 LYS A 73 12.535 -1.837 9.185 1.00 0.00 H ATOM 968 HE2 LYS A 73 12.566 -1.091 11.508 1.00 0.00 H ATOM 969 HE3 LYS A 73 10.801 -0.873 11.482 1.00 0.00 H ATOM 970 HZ1 LYS A 73 12.761 0.610 9.811 1.00 0.00 H ATOM 971 HZ2 LYS A 73 11.075 0.819 9.786 1.00 0.00 H ATOM 972 HZ3 LYS A 73 11.959 1.214 11.182 1.00 0.00 H ATOM 973 H LYS A 73 9.208 -3.054 6.319 1.00 0.00 H ATOM 974 N GLU A 74 10.923 -1.061 4.229 1.00 0.00 N ATOM 975 CA GLU A 74 11.556 -0.511 3.037 1.00 0.00 C ATOM 976 C GLU A 74 10.604 0.423 2.297 1.00 0.00 C ATOM 977 O GLU A 74 11.006 1.479 1.809 1.00 0.00 O ATOM 978 CB GLU A 74 12.011 -1.641 2.109 1.00 0.00 C ATOM 979 CG GLU A 74 13.498 -1.940 2.197 1.00 0.00 C ATOM 980 CD GLU A 74 14.327 -1.049 1.293 1.00 0.00 C ATOM 981 OE1 GLU A 74 13.797 -0.598 0.256 1.00 0.00 O ATOM 982 OE2 GLU A 74 15.506 -0.802 1.622 1.00 0.00 O ATOM 983 HA GLU A 74 12.427 0.064 3.350 1.00 0.00 H ATOM 984 HB2 GLU A 74 11.461 -2.545 2.371 1.00 0.00 H ATOM 985 HB3 GLU A 74 11.776 -1.360 1.082 1.00 0.00 H ATOM 986 HG2 GLU A 74 13.824 -1.792 3.227 1.00 0.00 H ATOM 987 HG3 GLU A 74 13.663 -2.979 1.910 1.00 0.00 H ATOM 988 H GLU A 74 10.821 -2.092 4.320 1.00 0.00 H ATOM 989 N ALA A 75 9.337 0.025 2.219 1.00 0.00 N ATOM 990 CA ALA A 75 8.324 0.826 1.543 1.00 0.00 C ATOM 991 C ALA A 75 8.134 2.168 2.240 1.00 0.00 C ATOM 992 O ALA A 75 8.104 3.217 1.598 1.00 0.00 O ATOM 993 CB ALA A 75 7.007 0.071 1.483 1.00 0.00 C ATOM 994 HA ALA A 75 8.666 1.017 0.526 1.00 0.00 H ATOM 995 HB1 ALA A 75 7.148 -0.861 0.935 1.00 0.00 H ATOM 996 HB2 ALA A 75 6.669 -0.149 2.496 1.00 0.00 H ATOM 997 HB3 ALA A 75 6.262 0.683 0.975 1.00 0.00 H ATOM 998 H ALA A 75 9.062 -0.880 2.651 1.00 0.00 H ATOM 999 N VAL A 76 8.006 2.126 3.561 1.00 0.00 N ATOM 1000 CA VAL A 76 7.818 3.339 4.344 1.00 0.00 C ATOM 1001 C VAL A 76 9.079 4.198 4.337 1.00 0.00 C ATOM 1002 O VAL A 76 9.004 5.425 4.321 1.00 0.00 O ATOM 1003 CB VAL A 76 7.438 3.016 5.802 1.00 0.00 C ATOM 1004 CG1 VAL A 76 7.130 4.291 6.571 1.00 0.00 C ATOM 1005 CG2 VAL A 76 6.256 2.060 5.846 1.00 0.00 C ATOM 1006 HA VAL A 76 7.002 3.891 3.879 1.00 0.00 H ATOM 1007 HB VAL A 76 8.288 2.529 6.279 1.00 0.00 H ATOM 1008 HG11 VAL A 76 8.009 4.936 6.569 1.00 0.00 H ATOM 1009 HG12 VAL A 76 6.297 4.809 6.095 1.00 0.00 H ATOM 1010 HG13 VAL A 76 6.864 4.039 7.598 1.00 0.00 H ATOM 1011 HG21 VAL A 76 5.401 2.519 5.350 1.00 0.00 H ATOM 1012 HG22 VAL A 76 6.520 1.134 5.335 1.00 0.00 H ATOM 1013 HG23 VAL A 76 6.003 1.844 6.884 1.00 0.00 H ATOM 1014 H VAL A 76 8.041 1.207 4.047 1.00 0.00 H ATOM 1015 N ASN A 77 10.237 3.545 4.351 1.00 0.00 N ATOM 1016 CA ASN A 77 11.514 4.252 4.352 1.00 0.00 C ATOM 1017 C ASN A 77 11.687 5.083 3.083 1.00 0.00 C ATOM 1018 O ASN A 77 11.858 6.300 3.148 1.00 0.00 O ATOM 1019 CB ASN A 77 12.670 3.260 4.488 1.00 0.00 C ATOM 1020 CG ASN A 77 13.754 3.759 5.424 1.00 0.00 C ATOM 1021 OD1 ASN A 77 14.803 4.227 4.983 1.00 0.00 O ATOM 1022 ND2 ASN A 77 13.505 3.660 6.724 1.00 0.00 N ATOM 1023 HA ASN A 77 11.521 4.929 5.206 1.00 0.00 H ATOM 1024 HB2 ASN A 77 12.280 2.318 4.874 1.00 0.00 H ATOM 1025 HB3 ASN A 77 13.107 3.094 3.503 1.00 0.00 H ATOM 1026 HD22 ASN A 77 12.604 3.257 7.052 1.00 0.00 H ATOM 1027 HD21 ASN A 77 14.211 3.985 7.415 1.00 0.00 H ATOM 1028 H ASN A 77 10.233 2.505 4.361 1.00 0.00 H ATOM 1029 N VAL A 78 11.646 4.421 1.933 1.00 0.00 N ATOM 1030 CA VAL A 78 11.803 5.106 0.655 1.00 0.00 C ATOM 1031 C VAL A 78 10.751 6.198 0.481 1.00 0.00 C ATOM 1032 O VAL A 78 11.050 7.287 -0.008 1.00 0.00 O ATOM 1033 CB VAL A 78 11.718 4.122 -0.527 1.00 0.00 C ATOM 1034 CG1 VAL A 78 12.859 3.119 -0.464 1.00 0.00 C ATOM 1035 CG2 VAL A 78 10.377 3.408 -0.541 1.00 0.00 C ATOM 1036 HA VAL A 78 12.793 5.563 0.661 1.00 0.00 H ATOM 1037 HB VAL A 78 11.807 4.690 -1.453 1.00 0.00 H ATOM 1038 HG11 VAL A 78 13.810 3.649 -0.510 1.00 0.00 H ATOM 1039 HG12 VAL A 78 12.798 2.560 0.470 1.00 0.00 H ATOM 1040 HG13 VAL A 78 12.784 2.431 -1.306 1.00 0.00 H ATOM 1041 HG21 VAL A 78 10.253 2.852 0.389 1.00 0.00 H ATOM 1042 HG22 VAL A 78 9.577 4.142 -0.637 1.00 0.00 H ATOM 1043 HG23 VAL A 78 10.342 2.719 -1.385 1.00 0.00 H ATOM 1044 H VAL A 78 11.499 3.392 1.944 1.00 0.00 H ATOM 1045 N LEU A 79 9.522 5.902 0.894 1.00 0.00 N ATOM 1046 CA LEU A 79 8.431 6.864 0.790 1.00 0.00 C ATOM 1047 C LEU A 79 8.667 8.051 1.721 1.00 0.00 C ATOM 1048 O LEU A 79 8.271 9.177 1.419 1.00 0.00 O ATOM 1049 CB LEU A 79 7.096 6.193 1.123 1.00 0.00 C ATOM 1050 CG LEU A 79 6.317 5.657 -0.083 1.00 0.00 C ATOM 1051 CD1 LEU A 79 5.778 6.802 -0.923 1.00 0.00 C ATOM 1052 CD2 LEU A 79 7.199 4.745 -0.923 1.00 0.00 C ATOM 1053 HA LEU A 79 8.396 7.230 -0.236 1.00 0.00 H ATOM 1054 HB2 LEU A 79 7.296 5.358 1.794 1.00 0.00 H ATOM 1055 HB3 LEU A 79 6.468 6.924 1.632 1.00 0.00 H ATOM 1056 HG LEU A 79 5.471 5.075 0.284 1.00 0.00 H ATOM 1057 HD21 LEU A 79 8.064 5.305 -1.279 1.00 0.00 H ATOM 1058 HD22 LEU A 79 7.534 3.905 -0.315 1.00 0.00 H ATOM 1059 HD23 LEU A 79 6.629 4.374 -1.775 1.00 0.00 H ATOM 1060 HD11 LEU A 79 5.112 7.414 -0.315 1.00 0.00 H ATOM 1061 HD12 LEU A 79 6.608 7.411 -1.280 1.00 0.00 H ATOM 1062 HD13 LEU A 79 5.228 6.399 -1.774 1.00 0.00 H ATOM 1063 H LEU A 79 9.335 4.963 1.300 1.00 0.00 H ATOM 1064 N LYS A 80 9.318 7.789 2.851 1.00 0.00 N ATOM 1065 CA LYS A 80 9.613 8.835 3.825 1.00 0.00 C ATOM 1066 C LYS A 80 10.830 9.648 3.397 1.00 0.00 C ATOM 1067 O LYS A 80 10.901 10.853 3.635 1.00 0.00 O ATOM 1068 CB LYS A 80 9.857 8.220 5.207 1.00 0.00 C ATOM 1069 CG LYS A 80 8.671 8.342 6.150 1.00 0.00 C ATOM 1070 CD LYS A 80 7.398 7.790 5.527 1.00 0.00 C ATOM 1071 CE LYS A 80 6.199 7.991 6.440 1.00 0.00 C ATOM 1072 NZ LYS A 80 5.298 9.069 5.946 1.00 0.00 N ATOM 1073 HA LYS A 80 8.752 9.502 3.878 1.00 0.00 H ATOM 1074 HB2 LYS A 80 10.086 7.162 5.077 1.00 0.00 H ATOM 1075 HB3 LYS A 80 10.711 8.722 5.661 1.00 0.00 H ATOM 1076 HG2 LYS A 80 8.887 7.788 7.063 1.00 0.00 H ATOM 1077 HG3 LYS A 80 8.519 9.394 6.392 1.00 0.00 H ATOM 1078 HD2 LYS A 80 7.214 8.302 4.583 1.00 0.00 H ATOM 1079 HD3 LYS A 80 7.528 6.724 5.341 1.00 0.00 H ATOM 1080 HE2 LYS A 80 6.555 8.257 7.435 1.00 0.00 H ATOM 1081 HE3 LYS A 80 5.637 7.059 6.494 1.00 0.00 H ATOM 1082 HZ1 LYS A 80 5.825 9.964 5.898 1.00 0.00 H ATOM 1083 HZ2 LYS A 80 4.948 8.820 4.999 1.00 0.00 H ATOM 1084 HZ3 LYS A 80 4.494 9.173 6.598 1.00 0.00 H ATOM 1085 H LYS A 80 9.624 6.814 3.045 1.00 0.00 H ATOM 1086 N SER A 81 11.788 8.977 2.766 1.00 0.00 N ATOM 1087 CA SER A 81 13.007 9.630 2.307 1.00 0.00 C ATOM 1088 C SER A 81 12.696 10.706 1.270 1.00 0.00 C ATOM 1089 O SER A 81 13.030 11.876 1.457 1.00 0.00 O ATOM 1090 CB SER A 81 13.971 8.601 1.716 1.00 0.00 C ATOM 1091 OG SER A 81 15.314 8.912 2.043 1.00 0.00 O ATOM 1092 HA SER A 81 13.477 10.107 3.167 1.00 0.00 H ATOM 1093 HB2 SER A 81 13.861 8.592 0.632 1.00 0.00 H ATOM 1094 HB3 SER A 81 13.727 7.615 2.113 1.00 0.00 H ATOM 1095 HG SER A 81 15.915 8.231 1.649 1.00 0.00 H ATOM 1096 H SER A 81 11.664 7.959 2.595 1.00 0.00 H ATOM 1097 N SER A 82 12.057 10.303 0.177 1.00 0.00 N ATOM 1098 CA SER A 82 11.706 11.237 -0.889 1.00 0.00 C ATOM 1099 C SER A 82 10.258 11.696 -0.759 1.00 0.00 C ATOM 1100 O SER A 82 9.331 10.887 -0.817 1.00 0.00 O ATOM 1101 CB SER A 82 11.928 10.589 -2.256 1.00 0.00 C ATOM 1102 OG SER A 82 13.220 10.890 -2.759 1.00 0.00 O ATOM 1103 HA SER A 82 12.352 12.110 -0.799 1.00 0.00 H ATOM 1104 HB2 SER A 82 11.178 10.962 -2.953 1.00 0.00 H ATOM 1105 HB3 SER A 82 11.826 9.508 -2.159 1.00 0.00 H ATOM 1106 HG SER A 82 13.337 10.459 -3.643 1.00 0.00 H ATOM 1107 H SER A 82 11.801 9.300 0.079 1.00 0.00 H ATOM 1108 N ARG A 83 10.068 13.001 -0.588 1.00 0.00 N ATOM 1109 CA ARG A 83 8.732 13.569 -0.456 1.00 0.00 C ATOM 1110 C ARG A 83 7.958 13.436 -1.763 1.00 0.00 C ATOM 1111 O ARG A 83 6.764 13.140 -1.761 1.00 0.00 O ATOM 1112 CB ARG A 83 8.820 15.040 -0.045 1.00 0.00 C ATOM 1113 CG ARG A 83 9.596 15.902 -1.026 1.00 0.00 C ATOM 1114 CD ARG A 83 9.692 17.343 -0.549 1.00 0.00 C ATOM 1115 NE ARG A 83 10.470 17.460 0.682 1.00 0.00 N ATOM 1116 CZ ARG A 83 10.417 18.513 1.496 1.00 0.00 C ATOM 1117 NH1 ARG A 83 9.626 19.540 1.211 1.00 0.00 N ATOM 1118 NH2 ARG A 83 11.157 18.539 2.595 1.00 0.00 N ATOM 1119 HA ARG A 83 8.200 13.016 0.318 1.00 0.00 H ATOM 1120 HB2 ARG A 83 7.808 15.436 0.036 1.00 0.00 H ATOM 1121 HB3 ARG A 83 9.310 15.097 0.927 1.00 0.00 H ATOM 1122 HG2 ARG A 83 10.602 15.497 -1.135 1.00 0.00 H ATOM 1123 HG3 ARG A 83 9.091 15.881 -1.992 1.00 0.00 H ATOM 1124 HD2 ARG A 83 8.686 17.722 -0.368 1.00 0.00 H ATOM 1125 HD3 ARG A 83 10.169 17.940 -1.326 1.00 0.00 H ATOM 1126 HE ARG A 83 11.102 16.675 0.938 1.00 0.00 H ATOM 1127 HH12 ARG A 83 9.588 20.360 1.850 1.00 0.00 H ATOM 1128 HH11 ARG A 83 9.044 19.525 0.349 1.00 0.00 H ATOM 1129 HH22 ARG A 83 11.116 19.361 3.230 1.00 0.00 H ATOM 1130 HH21 ARG A 83 11.779 17.737 2.822 1.00 0.00 H ATOM 1131 H ARG A 83 10.893 13.632 -0.547 1.00 0.00 H ATOM 1132 N SER A 84 8.650 13.651 -2.877 1.00 0.00 N ATOM 1133 CA SER A 84 8.033 13.550 -4.195 1.00 0.00 C ATOM 1134 C SER A 84 8.617 12.373 -4.971 1.00 0.00 C ATOM 1135 O SER A 84 9.761 12.424 -5.423 1.00 0.00 O ATOM 1136 CB SER A 84 8.237 14.847 -4.979 1.00 0.00 C ATOM 1137 OG SER A 84 9.501 15.421 -4.697 1.00 0.00 O ATOM 1138 HA SER A 84 6.964 13.384 -4.061 1.00 0.00 H ATOM 1139 HB2 SER A 84 7.455 15.555 -4.705 1.00 0.00 H ATOM 1140 HB3 SER A 84 8.173 14.632 -6.046 1.00 0.00 H ATOM 1141 HG SER A 84 10.215 14.783 -4.948 1.00 0.00 H ATOM 1142 H SER A 84 9.658 13.898 -2.807 1.00 0.00 H ATOM 1143 N LEU A 85 7.829 11.313 -5.114 1.00 0.00 N ATOM 1144 CA LEU A 85 8.276 10.122 -5.831 1.00 0.00 C ATOM 1145 C LEU A 85 7.132 9.482 -6.609 1.00 0.00 C ATOM 1146 O LEU A 85 5.980 9.502 -6.173 1.00 0.00 O ATOM 1147 CB LEU A 85 8.878 9.097 -4.856 1.00 0.00 C ATOM 1148 CG LEU A 85 8.733 9.434 -3.369 1.00 0.00 C ATOM 1149 CD1 LEU A 85 7.264 9.472 -2.973 1.00 0.00 C ATOM 1150 CD2 LEU A 85 9.492 8.426 -2.518 1.00 0.00 C ATOM 1151 HA LEU A 85 9.043 10.434 -6.540 1.00 0.00 H ATOM 1152 HB2 LEU A 85 8.389 8.139 -5.032 1.00 0.00 H ATOM 1153 HB3 LEU A 85 9.941 9.007 -5.078 1.00 0.00 H ATOM 1154 HG LEU A 85 9.161 10.421 -3.195 1.00 0.00 H ATOM 1155 HD21 LEU A 85 9.092 7.428 -2.696 1.00 0.00 H ATOM 1156 HD22 LEU A 85 10.548 8.449 -2.786 1.00 0.00 H ATOM 1157 HD23 LEU A 85 9.377 8.682 -1.465 1.00 0.00 H ATOM 1158 HD11 LEU A 85 6.750 10.232 -3.561 1.00 0.00 H ATOM 1159 HD12 LEU A 85 6.813 8.498 -3.162 1.00 0.00 H ATOM 1160 HD13 LEU A 85 7.181 9.713 -1.913 1.00 0.00 H ATOM 1161 H LEU A 85 6.872 11.332 -4.706 1.00 0.00 H ATOM 1162 N THR A 86 7.462 8.902 -7.760 1.00 0.00 N ATOM 1163 CA THR A 86 6.468 8.241 -8.596 1.00 0.00 C ATOM 1164 C THR A 86 6.265 6.804 -8.130 1.00 0.00 C ATOM 1165 O THR A 86 7.214 6.025 -8.063 1.00 0.00 O ATOM 1166 CB THR A 86 6.905 8.261 -10.062 1.00 0.00 C ATOM 1167 OG1 THR A 86 7.214 9.578 -10.477 1.00 0.00 O ATOM 1168 CG2 THR A 86 5.853 7.716 -11.006 1.00 0.00 C ATOM 1169 HA THR A 86 5.524 8.779 -8.507 1.00 0.00 H ATOM 1170 HB THR A 86 7.783 7.618 -10.110 1.00 0.00 H ATOM 1171 HG1 THR A 86 7.494 9.566 -11.427 1.00 0.00 H ATOM 1172 HG23 THR A 86 5.594 6.699 -10.711 1.00 0.00 H ATOM 1173 HG21 THR A 86 4.965 8.346 -10.961 1.00 0.00 H ATOM 1174 HG22 THR A 86 6.246 7.711 -12.023 1.00 0.00 H ATOM 1175 H THR A 86 8.454 8.921 -8.071 1.00 0.00 H ATOM 1176 N ILE A 87 5.025 6.463 -7.800 1.00 0.00 N ATOM 1177 CA ILE A 87 4.708 5.120 -7.326 1.00 0.00 C ATOM 1178 C ILE A 87 3.728 4.414 -8.258 1.00 0.00 C ATOM 1179 O ILE A 87 2.656 4.938 -8.561 1.00 0.00 O ATOM 1180 CB ILE A 87 4.114 5.156 -5.905 1.00 0.00 C ATOM 1181 CG1 ILE A 87 3.013 6.217 -5.814 1.00 0.00 C ATOM 1182 CG2 ILE A 87 5.209 5.429 -4.884 1.00 0.00 C ATOM 1183 CD1 ILE A 87 2.454 6.398 -4.420 1.00 0.00 C ATOM 1184 HA ILE A 87 5.645 4.564 -7.311 1.00 0.00 H ATOM 1185 HB ILE A 87 3.672 4.184 -5.685 1.00 0.00 H ATOM 1186 HG12 ILE A 87 3.425 7.170 -6.146 1.00 0.00 H ATOM 1187 HG13 ILE A 87 2.198 5.925 -6.476 1.00 0.00 H ATOM 1188 HD11 ILE A 87 2.026 5.456 -4.076 1.00 0.00 H ATOM 1189 HD12 ILE A 87 3.254 6.702 -3.746 1.00 0.00 H ATOM 1190 HD13 ILE A 87 1.680 7.165 -4.437 1.00 0.00 H ATOM 1191 HG21 ILE A 87 5.959 4.640 -4.938 1.00 0.00 H ATOM 1192 HG22 ILE A 87 5.675 6.390 -5.101 1.00 0.00 H ATOM 1193 HG23 ILE A 87 4.775 5.452 -3.885 1.00 0.00 H ATOM 1194 H ILE A 87 4.264 7.167 -7.881 1.00 0.00 H ATOM 1195 N SER A 88 4.102 3.219 -8.701 1.00 0.00 N ATOM 1196 CA SER A 88 3.258 2.432 -9.590 1.00 0.00 C ATOM 1197 C SER A 88 2.426 1.435 -8.791 1.00 0.00 C ATOM 1198 O SER A 88 2.960 0.494 -8.204 1.00 0.00 O ATOM 1199 CB SER A 88 4.110 1.694 -10.625 1.00 0.00 C ATOM 1200 OG SER A 88 5.194 2.496 -11.059 1.00 0.00 O ATOM 1201 HA SER A 88 2.585 3.112 -10.112 1.00 0.00 H ATOM 1202 HB2 SER A 88 3.488 1.441 -11.484 1.00 0.00 H ATOM 1203 HB3 SER A 88 4.500 0.779 -10.178 1.00 0.00 H ATOM 1204 HG SER A 88 5.765 2.725 -10.283 1.00 0.00 H ATOM 1205 H SER A 88 5.022 2.835 -8.405 1.00 0.00 H ATOM 1206 N ILE A 89 1.116 1.651 -8.770 1.00 0.00 N ATOM 1207 CA ILE A 89 0.210 0.776 -8.037 1.00 0.00 C ATOM 1208 C ILE A 89 -0.698 0.006 -8.990 1.00 0.00 C ATOM 1209 O ILE A 89 -1.038 0.492 -10.066 1.00 0.00 O ATOM 1210 CB ILE A 89 -0.654 1.582 -7.043 1.00 0.00 C ATOM 1211 CG1 ILE A 89 -1.618 0.660 -6.286 1.00 0.00 C ATOM 1212 CG2 ILE A 89 -1.409 2.688 -7.768 1.00 0.00 C ATOM 1213 CD1 ILE A 89 -2.937 0.420 -6.996 1.00 0.00 C ATOM 1214 HA ILE A 89 0.823 0.067 -7.481 1.00 0.00 H ATOM 1215 HB ILE A 89 0.006 2.046 -6.311 1.00 0.00 H ATOM 1216 HG12 ILE A 89 -1.128 -0.303 -6.141 1.00 0.00 H ATOM 1217 HG13 ILE A 89 -1.829 1.109 -5.315 1.00 0.00 H ATOM 1218 HD11 ILE A 89 -3.450 1.371 -7.139 1.00 0.00 H ATOM 1219 HD12 ILE A 89 -2.748 -0.041 -7.965 1.00 0.00 H ATOM 1220 HD13 ILE A 89 -3.558 -0.242 -6.392 1.00 0.00 H ATOM 1221 HG21 ILE A 89 -0.696 3.361 -8.245 1.00 0.00 H ATOM 1222 HG22 ILE A 89 -2.057 2.247 -8.525 1.00 0.00 H ATOM 1223 HG23 ILE A 89 -2.012 3.245 -7.051 1.00 0.00 H ATOM 1224 H ILE A 89 0.727 2.464 -9.289 1.00 0.00 H ATOM 1225 N VAL A 90 -1.089 -1.198 -8.589 1.00 0.00 N ATOM 1226 CA VAL A 90 -1.957 -2.029 -9.411 1.00 0.00 C ATOM 1227 C VAL A 90 -3.235 -2.389 -8.660 1.00 0.00 C ATOM 1228 O VAL A 90 -3.197 -3.081 -7.642 1.00 0.00 O ATOM 1229 CB VAL A 90 -1.245 -3.321 -9.853 1.00 0.00 C ATOM 1230 CG1 VAL A 90 -2.111 -4.104 -10.828 1.00 0.00 C ATOM 1231 CG2 VAL A 90 0.111 -3.001 -10.466 1.00 0.00 C ATOM 1232 HA VAL A 90 -2.211 -1.448 -10.298 1.00 0.00 H ATOM 1233 HB VAL A 90 -1.081 -3.943 -8.973 1.00 0.00 H ATOM 1234 HG11 VAL A 90 -3.053 -4.367 -10.346 1.00 0.00 H ATOM 1235 HG12 VAL A 90 -2.310 -3.492 -11.708 1.00 0.00 H ATOM 1236 HG13 VAL A 90 -1.589 -5.013 -11.127 1.00 0.00 H ATOM 1237 HG21 VAL A 90 -0.027 -2.358 -11.335 1.00 0.00 H ATOM 1238 HG22 VAL A 90 0.730 -2.490 -9.729 1.00 0.00 H ATOM 1239 HG23 VAL A 90 0.598 -3.927 -10.772 1.00 0.00 H ATOM 1240 H VAL A 90 -0.768 -1.556 -7.667 1.00 0.00 H ATOM 1241 N ALA A 91 -4.364 -1.910 -9.168 1.00 0.00 N ATOM 1242 CA ALA A 91 -5.657 -2.168 -8.546 1.00 0.00 C ATOM 1243 C ALA A 91 -5.923 -3.665 -8.407 1.00 0.00 C ATOM 1244 O ALA A 91 -5.651 -4.442 -9.323 1.00 0.00 O ATOM 1245 CB ALA A 91 -6.769 -1.511 -9.350 1.00 0.00 C ATOM 1246 HA ALA A 91 -5.636 -1.737 -7.545 1.00 0.00 H ATOM 1247 HB1 ALA A 91 -6.600 -0.435 -9.389 1.00 0.00 H ATOM 1248 HB2 ALA A 91 -6.772 -1.917 -10.362 1.00 0.00 H ATOM 1249 HB3 ALA A 91 -7.728 -1.713 -8.873 1.00 0.00 H ATOM 1250 H ALA A 91 -4.325 -1.335 -10.034 1.00 0.00 H ATOM 1251 N ALA A 92 -6.462 -4.058 -7.251 1.00 0.00 N ATOM 1252 CA ALA A 92 -6.783 -5.458 -6.969 1.00 0.00 C ATOM 1253 C ALA A 92 -5.566 -6.241 -6.475 1.00 0.00 C ATOM 1254 O ALA A 92 -5.711 -7.316 -5.891 1.00 0.00 O ATOM 1255 CB ALA A 92 -7.384 -6.134 -8.193 1.00 0.00 C ATOM 1256 HA ALA A 92 -7.521 -5.458 -6.167 1.00 0.00 H ATOM 1257 HB1 ALA A 92 -8.298 -5.615 -8.481 1.00 0.00 H ATOM 1258 HB2 ALA A 92 -6.669 -6.096 -9.015 1.00 0.00 H ATOM 1259 HB3 ALA A 92 -7.613 -7.173 -7.957 1.00 0.00 H ATOM 1260 H ALA A 92 -6.661 -3.343 -6.523 1.00 0.00 H ATOM 1261 N ALA A 93 -4.369 -5.707 -6.701 1.00 0.00 N ATOM 1262 CA ALA A 93 -3.145 -6.370 -6.263 1.00 0.00 C ATOM 1263 C ALA A 93 -3.160 -6.605 -4.754 1.00 0.00 C ATOM 1264 O ALA A 93 -2.453 -7.474 -4.244 1.00 0.00 O ATOM 1265 CB ALA A 93 -1.930 -5.545 -6.662 1.00 0.00 C ATOM 1266 HA ALA A 93 -3.087 -7.341 -6.754 1.00 0.00 H ATOM 1267 HB1 ALA A 93 -1.908 -5.433 -7.746 1.00 0.00 H ATOM 1268 HB2 ALA A 93 -1.991 -4.562 -6.195 1.00 0.00 H ATOM 1269 HB3 ALA A 93 -1.024 -6.051 -6.329 1.00 0.00 H ATOM 1270 H ALA A 93 -4.304 -4.797 -7.201 1.00 0.00 H ATOM 1271 N GLY A 94 -3.968 -5.821 -4.050 1.00 0.00 N ATOM 1272 CA GLY A 94 -4.069 -5.946 -2.607 1.00 0.00 C ATOM 1273 C GLY A 94 -5.459 -6.350 -2.154 1.00 0.00 C ATOM 1274 O GLY A 94 -5.616 -7.011 -1.128 1.00 0.00 O ATOM 1275 HA3 GLY A 94 -3.819 -4.986 -2.155 1.00 0.00 H ATOM 1276 HA2 GLY A 94 -3.358 -6.701 -2.271 1.00 0.00 H ATOM 1277 H GLY A 94 -4.539 -5.104 -4.541 1.00 0.00 H ATOM 1278 N ARG A 95 -6.470 -5.938 -2.915 1.00 0.00 N ATOM 1279 CA ARG A 95 -7.857 -6.247 -2.579 1.00 0.00 C ATOM 1280 C ARG A 95 -8.064 -7.750 -2.440 1.00 0.00 C ATOM 1281 O ARG A 95 -8.850 -8.201 -1.607 1.00 0.00 O ATOM 1282 CB ARG A 95 -8.796 -5.694 -3.653 1.00 0.00 C ATOM 1283 CG ARG A 95 -8.704 -4.187 -3.827 1.00 0.00 C ATOM 1284 CD ARG A 95 -9.386 -3.730 -5.107 1.00 0.00 C ATOM 1285 NE ARG A 95 -10.826 -3.559 -4.929 1.00 0.00 N ATOM 1286 CZ ARG A 95 -11.656 -3.206 -5.907 1.00 0.00 C ATOM 1287 NH1 ARG A 95 -11.194 -2.984 -7.131 1.00 0.00 N ATOM 1288 NH2 ARG A 95 -12.953 -3.074 -5.660 1.00 0.00 N ATOM 1289 HA ARG A 95 -8.085 -5.777 -1.622 1.00 0.00 H ATOM 1290 HB2 ARG A 95 -8.548 -6.166 -4.604 1.00 0.00 H ATOM 1291 HB3 ARG A 95 -9.820 -5.947 -3.379 1.00 0.00 H ATOM 1292 HG2 ARG A 95 -9.184 -3.702 -2.977 1.00 0.00 H ATOM 1293 HG3 ARG A 95 -7.654 -3.898 -3.863 1.00 0.00 H ATOM 1294 HD2 ARG A 95 -9.213 -4.475 -5.884 1.00 0.00 H ATOM 1295 HD3 ARG A 95 -8.954 -2.778 -5.416 1.00 0.00 H ATOM 1296 HE ARG A 95 -11.225 -3.723 -3.983 1.00 0.00 H ATOM 1297 HH12 ARG A 95 -11.848 -2.708 -7.891 1.00 0.00 H ATOM 1298 HH11 ARG A 95 -10.178 -3.086 -7.330 1.00 0.00 H ATOM 1299 HH22 ARG A 95 -13.602 -2.798 -6.424 1.00 0.00 H ATOM 1300 HH21 ARG A 95 -13.320 -3.246 -4.702 1.00 0.00 H ATOM 1301 H ARG A 95 -6.267 -5.382 -3.770 1.00 0.00 H ATOM 1302 N GLU A 96 -7.349 -8.524 -3.249 1.00 0.00 N ATOM 1303 CA GLU A 96 -7.455 -9.977 -3.196 1.00 0.00 C ATOM 1304 C GLU A 96 -7.141 -10.478 -1.789 1.00 0.00 C ATOM 1305 O GLU A 96 -7.820 -11.362 -1.265 1.00 0.00 O ATOM 1306 CB GLU A 96 -6.503 -10.618 -4.207 1.00 0.00 C ATOM 1307 CG GLU A 96 -6.867 -12.050 -4.564 1.00 0.00 C ATOM 1308 CD GLU A 96 -7.519 -12.164 -5.929 1.00 0.00 C ATOM 1309 OE1 GLU A 96 -8.177 -11.191 -6.354 1.00 0.00 O ATOM 1310 OE2 GLU A 96 -7.372 -13.224 -6.570 1.00 0.00 O ATOM 1311 HA GLU A 96 -8.476 -10.260 -3.451 1.00 0.00 H ATOM 1312 HB2 GLU A 96 -6.516 -10.021 -5.119 1.00 0.00 H ATOM 1313 HB3 GLU A 96 -5.498 -10.613 -3.785 1.00 0.00 H ATOM 1314 HG2 GLU A 96 -5.959 -12.653 -4.559 1.00 0.00 H ATOM 1315 HG3 GLU A 96 -7.559 -12.432 -3.813 1.00 0.00 H ATOM 1316 H GLU A 96 -6.701 -8.085 -3.934 1.00 0.00 H ATOM 1317 N LEU A 97 -6.111 -9.896 -1.182 1.00 0.00 N ATOM 1318 CA LEU A 97 -5.702 -10.266 0.169 1.00 0.00 C ATOM 1319 C LEU A 97 -6.716 -9.776 1.197 1.00 0.00 C ATOM 1320 O LEU A 97 -7.144 -10.530 2.073 1.00 0.00 O ATOM 1321 CB LEU A 97 -4.322 -9.685 0.483 1.00 0.00 C ATOM 1322 CG LEU A 97 -3.149 -10.386 -0.205 1.00 0.00 C ATOM 1323 CD1 LEU A 97 -2.972 -11.792 0.344 1.00 0.00 C ATOM 1324 CD2 LEU A 97 -3.357 -10.421 -1.711 1.00 0.00 C ATOM 1325 HA LEU A 97 -5.653 -11.354 0.222 1.00 0.00 H ATOM 1326 HB2 LEU A 97 -4.318 -8.639 0.175 1.00 0.00 H ATOM 1327 HB3 LEU A 97 -4.167 -9.746 1.560 1.00 0.00 H ATOM 1328 HG LEU A 97 -2.241 -9.820 0.002 1.00 0.00 H ATOM 1329 HD21 LEU A 97 -4.275 -10.963 -1.937 1.00 0.00 H ATOM 1330 HD22 LEU A 97 -3.432 -9.402 -2.090 1.00 0.00 H ATOM 1331 HD23 LEU A 97 -2.512 -10.924 -2.182 1.00 0.00 H ATOM 1332 HD11 LEU A 97 -2.775 -11.740 1.415 1.00 0.00 H ATOM 1333 HD12 LEU A 97 -3.881 -12.367 0.168 1.00 0.00 H ATOM 1334 HD13 LEU A 97 -2.133 -12.274 -0.158 1.00 0.00 H ATOM 1335 H LEU A 97 -5.581 -9.155 -1.685 1.00 0.00 H ATOM 1336 N PHE A 98 -7.095 -8.503 1.088 1.00 0.00 N ATOM 1337 CA PHE A 98 -8.055 -7.900 2.009 1.00 0.00 C ATOM 1338 C PHE A 98 -9.308 -8.763 2.145 1.00 0.00 C ATOM 1339 O PHE A 98 -9.912 -8.834 3.215 1.00 0.00 O ATOM 1340 CB PHE A 98 -8.434 -6.496 1.534 1.00 0.00 C ATOM 1341 CG PHE A 98 -7.736 -5.402 2.291 1.00 0.00 C ATOM 1342 CD1 PHE A 98 -6.488 -4.951 1.891 1.00 0.00 C ATOM 1343 CD2 PHE A 98 -8.328 -4.825 3.403 1.00 0.00 C ATOM 1344 CE1 PHE A 98 -5.843 -3.947 2.588 1.00 0.00 C ATOM 1345 CE2 PHE A 98 -7.689 -3.820 4.103 1.00 0.00 C ATOM 1346 CZ PHE A 98 -6.444 -3.380 3.694 1.00 0.00 C ATOM 1347 HA PHE A 98 -7.583 -7.831 2.989 1.00 0.00 H ATOM 1348 HB2 PHE A 98 -8.175 -6.406 0.479 1.00 0.00 H ATOM 1349 HB3 PHE A 98 -9.510 -6.368 1.655 1.00 0.00 H ATOM 1350 HD2 PHE A 98 -9.310 -5.168 3.729 1.00 0.00 H ATOM 1351 HE2 PHE A 98 -8.166 -3.375 4.976 1.00 0.00 H ATOM 1352 HZ PHE A 98 -5.938 -2.587 4.244 1.00 0.00 H ATOM 1353 HE1 PHE A 98 -4.860 -3.603 2.265 1.00 0.00 H ATOM 1354 HD1 PHE A 98 -6.010 -5.393 1.017 1.00 0.00 H ATOM 1355 H PHE A 98 -6.695 -7.921 0.324 1.00 0.00 H ATOM 1356 N MET A 99 -9.690 -9.420 1.055 1.00 0.00 N ATOM 1357 CA MET A 99 -10.869 -10.279 1.056 1.00 0.00 C ATOM 1358 C MET A 99 -10.628 -11.526 1.902 1.00 0.00 C ATOM 1359 O MET A 99 -10.471 -12.627 1.374 1.00 0.00 O ATOM 1360 CB MET A 99 -11.236 -10.679 -0.374 1.00 0.00 C ATOM 1361 CG MET A 99 -11.718 -9.516 -1.226 1.00 0.00 C ATOM 1362 SD MET A 99 -13.387 -8.983 -0.794 1.00 0.00 S ATOM 1363 CE MET A 99 -13.067 -7.328 -0.190 1.00 0.00 C ATOM 1364 HA MET A 99 -11.698 -9.720 1.491 1.00 0.00 H ATOM 1365 HB2 MET A 99 -10.355 -11.112 -0.848 1.00 0.00 H ATOM 1366 HB3 MET A 99 -12.028 -11.426 -0.331 1.00 0.00 H ATOM 1367 HG2 MET A 99 -11.709 -9.822 -2.272 1.00 0.00 H ATOM 1368 HG3 MET A 99 -11.037 -8.676 -1.088 1.00 0.00 H ATOM 1369 HE1 MET A 99 -12.390 -7.378 0.663 1.00 0.00 H ATOM 1370 HE2 MET A 99 -12.611 -6.735 -0.983 1.00 0.00 H ATOM 1371 HE3 MET A 99 -14.006 -6.867 0.116 1.00 0.00 H ATOM 1372 H MET A 99 -9.136 -9.319 0.181 1.00 0.00 H ATOM 1373 N THR A 100 -10.601 -11.343 3.218 1.00 0.00 N ATOM 1374 CA THR A 100 -10.375 -12.452 4.140 1.00 0.00 C ATOM 1375 C THR A 100 -11.694 -13.004 4.684 1.00 0.00 C ATOM 1376 O THR A 100 -11.699 -13.967 5.449 1.00 0.00 O ATOM 1377 CB THR A 100 -9.485 -12.001 5.300 1.00 0.00 C ATOM 1378 OG1 THR A 100 -8.266 -11.464 4.817 1.00 0.00 O ATOM 1379 CG2 THR A 100 -9.146 -13.119 6.262 1.00 0.00 C ATOM 1380 HA THR A 100 -9.876 -13.248 3.587 1.00 0.00 H ATOM 1381 HB THR A 100 -10.064 -11.247 5.834 1.00 0.00 H ATOM 1382 HG1 THR A 100 -8.457 -10.684 4.238 1.00 0.00 H ATOM 1383 HG23 THR A 100 -10.067 -13.553 6.652 1.00 0.00 H ATOM 1384 HG21 THR A 100 -8.574 -13.886 5.739 1.00 0.00 H ATOM 1385 HG22 THR A 100 -8.554 -12.721 7.086 1.00 0.00 H ATOM 1386 H THR A 100 -10.744 -10.386 3.600 1.00 0.00 H TER 1387 THR A 100 HETATM 1388 N THR A 1 -4.424 -13.155 12.584 1.00 0.24 N HETATM 1389 CA THR A 1 -4.363 -11.818 13.162 1.00 0.09 C HETATM 1390 C THR A 1 -4.158 -10.764 12.077 1.00 0.23 C HETATM 1391 O THR A 1 -3.533 -11.030 11.050 1.00 -0.39 O HETATM 1392 N THR A 1 -4.684 -9.545 12.290 1.00 -0.25 N HETATM 1393 CA THR A 1 -4.556 -8.449 11.325 1.00 0.13 C HETATM 1394 C THR A 1 -3.103 -8.177 10.948 1.00 0.20 C HETATM 1395 O THR A 1 -2.191 -8.408 11.743 1.00 -0.39 O HETATM 1396 N THR A 1 -2.894 -7.683 9.732 1.00 -0.26 N HETATM 1397 CA THR A 1 -1.553 -7.377 9.251 1.00 0.13 C HETATM 1398 C THR A 1 -1.104 -6.001 9.730 1.00 0.20 C HETATM 1399 O THR A 1 -1.928 -5.127 10.001 1.00 -0.39 O HETATM 1400 N THR A 1 0.208 -5.812 9.831 1.00 -0.26 N HETATM 1401 CA THR A 1 0.765 -4.540 10.277 1.00 0.13 C HETATM 1402 C THR A 1 0.384 -3.414 9.322 1.00 0.20 C HETATM 1403 O THR A 1 0.217 -3.634 8.123 1.00 -0.39 O HETATM 1404 N THR A 1 0.250 -2.208 9.862 1.00 -0.26 N HETATM 1405 CA THR A 1 -0.109 -1.047 9.058 1.00 0.13 C HETATM 1406 C THR A 1 0.746 0.162 9.424 1.00 0.20 C HETATM 1407 O THR A 1 1.214 0.283 10.556 1.00 -0.39 O HETATM 1408 N THR A 1 0.945 1.054 8.460 1.00 -0.26 N HETATM 1409 CA THR A 1 1.744 2.254 8.682 1.00 0.16 C HETATM 1410 C THR A 1 1.052 3.484 8.104 1.00 0.21 C HETATM 1411 O THR A 1 0.344 3.395 7.102 1.00 -0.39 O HETATM 1412 N THR A 1 1.262 4.630 8.742 1.00 -0.26 N HETATM 1413 CA THR A 1 0.657 5.877 8.290 1.00 0.13 C HETATM 1414 C THR A 1 1.673 6.734 7.540 1.00 0.20 C HETATM 1415 O THR A 1 2.767 6.999 8.038 1.00 -0.39 O HETATM 1416 N THR A 1 1.303 7.162 6.337 1.00 -0.27 N HETATM 1417 CA THR A 1 2.180 7.987 5.516 1.00 0.09 C HETATM 1418 C THR A 1 1.532 9.334 5.212 1.00 0.06 C HETATM 1419 O THR A 1 0.414 9.578 5.712 1.00 -0.57 O HETATM 1420 OXT THR A 1 2.147 10.133 4.474 1.00 -0.57 O HETATM 1421 CB THR A 1 2.522 7.266 4.211 1.00 -0.02 C HETATM 1422 CG THR A 1 2.847 5.779 4.359 1.00 -0.04 C HETATM 1423 CD1 THR A 1 3.008 5.128 2.994 1.00 -0.06 C HETATM 1424 H63 THR A 1 3.241 4.061 3.122 1.00 0.02 H HETATM 1425 H64 THR A 1 3.827 5.619 2.448 1.00 0.02 H HETATM 1426 H65 THR A 1 2.073 5.233 2.425 1.00 0.02 H HETATM 1427 CD2 THR A 1 4.105 5.590 5.193 1.00 -0.06 C HETATM 1428 H66 THR A 1 3.969 6.067 6.175 1.00 0.02 H HETATM 1429 H67 THR A 1 4.960 6.051 4.677 1.00 0.02 H HETATM 1430 H68 THR A 1 4.296 4.515 5.331 1.00 0.02 H HETATM 1431 H62 THR A 1 2.010 5.291 4.879 1.00 0.03 H HETATM 1432 H60 THR A 1 3.396 7.763 3.765 1.00 0.03 H HETATM 1433 H61 THR A 1 1.661 7.361 3.533 1.00 0.03 H HETATM 1434 H59 THR A 1 3.112 8.165 6.073 1.00 0.07 H HETATM 1435 H58 THR A 1 0.400 6.912 5.987 1.00 0.19 H HETATM 1436 CB THR A 1 0.093 6.656 9.484 1.00 -0.00 C HETATM 1437 CG THR A 1 -1.419 6.801 9.454 1.00 0.00 C HETATM 1438 CD THR A 1 -1.881 8.180 9.878 1.00 0.04 C HETATM 1439 OE1 THR A 1 -1.419 8.663 10.932 1.00 -0.57 O HETATM 1440 OE2 THR A 1 -2.706 8.778 9.155 1.00 -0.57 O HETATM 1441 H56 THR A 1 -1.858 6.058 10.136 1.00 0.04 H HETATM 1442 H57 THR A 1 -1.771 6.611 8.429 1.00 0.04 H HETATM 1443 H54 THR A 1 0.539 7.662 9.486 1.00 0.03 H HETATM 1444 H55 THR A 1 0.374 6.129 10.408 1.00 0.03 H HETATM 1445 H53 THR A 1 -0.170 5.636 7.606 1.00 0.08 H HETATM 1446 H52 THR A 1 1.849 4.638 9.552 1.00 0.19 H HETATM 1447 CB THR A 1 3.129 2.091 8.055 1.00 0.09 C HETATM 1448 OG1 THR A 1 3.736 0.887 8.485 1.00 -0.39 O HETATM 1449 H48 THR A 1 3.194 0.151 8.227 1.00 0.21 H HETATM 1450 CG2 THR A 1 4.073 3.226 8.388 1.00 -0.03 C HETATM 1451 H49 THR A 1 5.046 3.046 7.908 1.00 0.03 H HETATM 1452 H50 THR A 1 4.207 3.283 9.478 1.00 0.03 H HETATM 1453 H51 THR A 1 3.652 4.173 8.020 1.00 0.03 H HETATM 1454 H47 THR A 1 3.001 2.055 6.963 1.00 0.06 H HETATM 1455 H46 THR A 1 1.863 2.397 9.766 1.00 0.08 H HETATM 1456 H45 THR A 1 0.537 0.899 7.560 1.00 0.19 H HETATM 1457 CB THR A 1 -1.596 -0.681 9.231 1.00 -0.00 C HETATM 1458 CG1 THR A 1 -2.471 -1.923 9.058 1.00 -0.05 C HETATM 1459 CD1 THR A 1 -3.925 -1.692 9.414 1.00 -0.06 C HETATM 1460 H42 THR A 1 -4.491 -2.623 9.266 1.00 0.02 H HETATM 1461 H43 THR A 1 -4.340 -0.904 8.768 1.00 0.02 H HETATM 1462 H44 THR A 1 -4.000 -1.381 10.466 1.00 0.02 H HETATM 1463 H37 THR A 1 -2.076 -2.720 9.706 1.00 0.03 H HETATM 1464 H38 THR A 1 -2.417 -2.244 8.007 1.00 0.03 H HETATM 1465 CG2 THR A 1 -1.995 0.398 8.235 1.00 -0.06 C HETATM 1466 H39 THR A 1 -1.355 1.282 8.376 1.00 0.02 H HETATM 1467 H40 THR A 1 -3.046 0.677 8.398 1.00 0.02 H HETATM 1468 H41 THR A 1 -1.872 0.015 7.211 1.00 0.02 H HETATM 1469 H36 THR A 1 -1.744 -0.289 10.248 1.00 0.03 H HETATM 1470 H35 THR A 1 0.069 -1.295 8.001 1.00 0.08 H HETATM 1471 H34 THR A 1 0.399 -2.094 10.844 1.00 0.19 H HETATM 1472 CB THR A 1 2.288 -4.637 10.389 1.00 -0.00 C HETATM 1473 CG THR A 1 2.761 -5.759 11.301 1.00 0.00 C HETATM 1474 CD THR A 1 3.713 -5.276 12.376 1.00 0.04 C HETATM 1475 OE1 THR A 1 4.928 -5.198 12.102 1.00 -0.57 O HETATM 1476 OE2 THR A 1 3.243 -4.974 13.494 1.00 -0.57 O HETATM 1477 H32 THR A 1 3.275 -6.516 10.690 1.00 0.04 H HETATM 1478 H33 THR A 1 1.884 -6.212 11.786 1.00 0.04 H HETATM 1479 H30 THR A 1 2.669 -3.684 10.784 1.00 0.03 H HETATM 1480 H31 THR A 1 2.700 -4.809 9.384 1.00 0.03 H HETATM 1481 H29 THR A 1 0.354 -4.309 11.271 1.00 0.08 H HETATM 1482 H28 THR A 1 0.828 -6.560 9.595 1.00 0.19 H HETATM 1483 CB THR A 1 -1.510 -7.439 7.723 1.00 -0.01 C HETATM 1484 CG THR A 1 -1.983 -8.760 7.114 1.00 -0.04 C HETATM 1485 CD1 THR A 1 -2.668 -8.514 5.777 1.00 -0.06 C HETATM 1486 H22 THR A 1 -3.001 -9.473 5.354 1.00 0.02 H HETATM 1487 H23 THR A 1 -1.960 -8.034 5.085 1.00 0.02 H HETATM 1488 H24 THR A 1 -3.538 -7.857 5.926 1.00 0.02 H HETATM 1489 CD2 THR A 1 -0.813 -9.718 6.947 1.00 -0.06 C HETATM 1490 H25 THR A 1 -0.332 -9.883 7.922 1.00 0.02 H HETATM 1491 H26 THR A 1 -0.083 -9.287 6.246 1.00 0.02 H HETATM 1492 H27 THR A 1 -1.178 -10.677 6.552 1.00 0.02 H HETATM 1493 H21 THR A 1 -2.712 -9.218 7.799 1.00 0.03 H HETATM 1494 H19 THR A 1 -0.471 -7.269 7.404 1.00 0.03 H HETATM 1495 H20 THR A 1 -2.150 -6.635 7.331 1.00 0.03 H HETATM 1496 H18 THR A 1 -0.859 -8.130 9.653 1.00 0.08 H HETATM 1497 H17 THR A 1 -3.677 -7.517 9.132 1.00 0.19 H HETATM 1498 CB THR A 1 -5.147 -7.246 12.063 1.00 -0.01 C HETATM 1499 CG THR A 1 -6.067 -7.836 13.077 1.00 -0.03 C HETATM 1500 CD THR A 1 -5.444 -9.141 13.487 1.00 0.04 C HETATM 1501 H15 THR A 1 -4.776 -9.005 14.350 1.00 0.05 H HETATM 1502 H16 THR A 1 -6.215 -9.885 13.734 1.00 0.05 H HETATM 1503 H13 THR A 1 -7.061 -8.008 12.638 1.00 0.03 H HETATM 1504 H14 THR A 1 -6.160 -7.167 13.945 1.00 0.03 H HETATM 1505 H11 THR A 1 -5.701 -6.598 11.367 1.00 0.03 H HETATM 1506 H12 THR A 1 -4.353 -6.663 12.553 1.00 0.03 H HETATM 1507 H10 THR A 1 -5.130 -8.670 10.413 1.00 0.08 H HETATM 1508 CB THR A 1 -3.231 -11.734 14.189 1.00 0.11 C HETATM 1509 OG1 THR A 1 -2.002 -12.141 13.615 1.00 -0.38 O HETATM 1510 H6 THR A 1 -1.794 -11.575 12.881 1.00 0.21 H HETATM 1511 CG2 THR A 1 -3.473 -12.587 15.415 1.00 -0.03 C HETATM 1512 H7 THR A 1 -2.626 -12.481 16.109 1.00 0.03 H HETATM 1513 H8 THR A 1 -3.571 -13.641 15.115 1.00 0.03 H HETATM 1514 H9 THR A 1 -4.398 -12.260 15.913 1.00 0.03 H HETATM 1515 H5 THR A 1 -3.144 -10.685 14.508 1.00 0.07 H HETATM 1516 H4 THR A 1 -5.316 -11.615 13.671 1.00 0.11 H HETATM 1517 H1 THR A 1 -5.173 -13.196 11.910 1.00 0.20 H HETATM 1518 H2 THR A 1 -4.592 -13.829 13.314 1.00 0.20 H HETATM 1519 H3 THR A 1 -3.550 -13.364 12.128 1.00 0.20 H CONECT 1 2 22 23 24 CONECT 22 1 CONECT 23 1 CONECT 24 1 CONECT 1388 1389 1517 1518 1519 CONECT 1389 1388 1390 1508 1516 CONECT 1390 1389 1391 1392 CONECT 1391 1390 CONECT 1392 1390 1393 1500 CONECT 1393 1392 1394 1498 1507 CONECT 1394 1393 1395 1396 CONECT 1395 1394 CONECT 1396 1394 1397 1497 CONECT 1397 1396 1398 1483 1496 CONECT 1398 1397 1399 1400 CONECT 1399 1398 CONECT 1400 1398 1401 1482 CONECT 1401 1400 1402 1472 1481 CONECT 1402 1401 1403 1404 CONECT 1403 1402 CONECT 1404 1402 1405 1471 CONECT 1405 1404 1406 1457 1470 CONECT 1406 1405 1407 1408 CONECT 1407 1406 CONECT 1408 1406 1409 1456 CONECT 1409 1408 1410 1447 1455 CONECT 1410 1409 1411 1412 CONECT 1411 1410 CONECT 1412 1410 1413 1446 CONECT 1413 1412 1414 1436 1445 CONECT 1414 1413 1415 1416 CONECT 1415 1414 CONECT 1416 1414 1417 1435 CONECT 1417 1416 1418 1421 1434 CONECT 1418 1417 1419 1420 CONECT 1419 1418 CONECT 1420 1418 CONECT 1421 1417 1422 1432 1433 CONECT 1422 1421 1423 1427 1431 CONECT 1423 1422 1424 1425 1426 CONECT 1424 1423 CONECT 1425 1423 CONECT 1426 1423 CONECT 1427 1422 1428 1429 1430 CONECT 1428 1427 CONECT 1429 1427 CONECT 1430 1427 CONECT 1431 1422 CONECT 1432 1421 CONECT 1433 1421 CONECT 1434 1417 CONECT 1435 1416 CONECT 1436 1413 1437 1443 1444 CONECT 1437 1436 1438 1441 1442 CONECT 1438 1437 1439 1440 CONECT 1439 1438 CONECT 1440 1438 CONECT 1441 1437 CONECT 1442 1437 CONECT 1443 1436 CONECT 1444 1436 CONECT 1445 1413 CONECT 1446 1412 CONECT 1447 1409 1448 1450 1454 CONECT 1448 1447 1449 CONECT 1449 1448 CONECT 1450 1447 1451 1452 1453 CONECT 1451 1450 CONECT 1452 1450 CONECT 1453 1450 CONECT 1454 1447 CONECT 1455 1409 CONECT 1456 1408 CONECT 1457 1405 1458 1465 1469 CONECT 1458 1457 1459 1463 1464 CONECT 1459 1458 1460 1461 1462 CONECT 1460 1459 CONECT 1461 1459 CONECT 1462 1459 CONECT 1463 1458 CONECT 1464 1458 CONECT 1465 1457 1466 1467 1468 CONECT 1466 1465 CONECT 1467 1465 CONECT 1468 1465 CONECT 1469 1457 CONECT 1470 1405 CONECT 1471 1404 CONECT 1472 1401 1473 1479 1480 CONECT 1473 1472 1474 1477 1478 CONECT 1474 1473 1475 1476 CONECT 1475 1474 CONECT 1476 1474 CONECT 1477 1473 CONECT 1478 1473 CONECT 1479 1472 CONECT 1480 1472 CONECT 1481 1401 CONECT 1482 1400 CONECT 1483 1397 1484 1494 1495 CONECT 1484 1483 1485 1489 1493 CONECT 1485 1484 1486 1487 1488 CONECT 1486 1485 CONECT 1487 1485 CONECT 1488 1485 CONECT 1489 1484 1490 1491 1492 CONECT 1490 1489 CONECT 1491 1489 CONECT 1492 1489 CONECT 1493 1484 CONECT 1494 1483 CONECT 1495 1483 CONECT 1496 1397 CONECT 1497 1396 CONECT 1498 1393 1499 1505 1506 CONECT 1499 1498 1500 1503 1504 CONECT 1500 1392 1499 1501 1502 CONECT 1501 1500 CONECT 1502 1500 CONECT 1503 1499 CONECT 1504 1499 CONECT 1505 1498 CONECT 1506 1498 CONECT 1507 1393 CONECT 1508 1389 1509 1511 1515 CONECT 1509 1508 1510 CONECT 1510 1509 CONECT 1511 1508 1512 1513 1514 CONECT 1512 1511 CONECT 1513 1511 CONECT 1514 1511 CONECT 1515 1508 CONECT 1516 1389 CONECT 1517 1388 CONECT 1518 1388 CONECT 1519 1388 MASTER 0 0 0 0 0 0 0 0 1518 1 136 8 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 2kbs
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1fo0
RCSB PDB
PDBbind
8-mer
1fzj
RCSB PDB
PDBbind
8-mer
1fzm
RCSB PDB
PDBbind
8-mer
1g6r
RCSB PDB
PDBbind
8-mer
1g7q
RCSB PDB
PDBbind
8-mer
1leg
RCSB PDB
PDBbind
8-mer
1lek
RCSB PDB
PDBbind
8-mer
1nlp
RCSB PDB
PDBbind
8-mer
1nzl
RCSB PDB
PDBbind
8-mer
1nzv
RCSB PDB
PDBbind
8-mer
1obx
RCSB PDB
PDBbind
8-mer
1okx
RCSB PDB
PDBbind
8-mer
1p2g
RCSB PDB
PDBbind
8-mer
1pig
RCSB PDB
PDBbind
8-mer
1pz5
RCSB PDB
PDBbind
8-mer
1qja
RCSB PDB
PDBbind
8-mer
1qjb
RCSB PDB
PDBbind
8-mer
1qr3
RCSB PDB
PDBbind
8-mer
1sle
RCSB PDB
PDBbind
8-mer
1tps
RCSB PDB
PDBbind
8-mer
2c1n
RCSB PDB
PDBbind
8-mer
2clv
RCSB PDB
PDBbind
8-mer
2er0
RCSB PDB
PDBbind
8-mer
2er9
RCSB PDB
PDBbind
8-mer
2fo4
RCSB PDB
PDBbind
8-mer
2h6k
RCSB PDB
PDBbind
8-mer
2qbw
RCSB PDB
PDBbind
8-mer
2r03
RCSB PDB
PDBbind
8-mer
2r9b
RCSB PDB
PDBbind
8-mer
2rly
RCSB PDB
PDBbind
8-mer
2rt5
RCSB PDB
PDBbind
8-mer
2v88
RCSB PDB
PDBbind
8-mer
2w16
RCSB PDB
PDBbind
8-mer
2w3o
RCSB PDB
PDBbind
8-mer
2ynn
RCSB PDB
PDBbind
8-mer
2zpk
RCSB PDB
PDBbind
8-mer
3agm
RCSB PDB
PDBbind
8-mer
3av9
RCSB PDB
PDBbind
8-mer
3ava
RCSB PDB
PDBbind
8-mer
3avb
RCSB PDB
PDBbind
8-mer
3avf
RCSB PDB
PDBbind
8-mer
3avg
RCSB PDB
PDBbind
8-mer
3avh
RCSB PDB
PDBbind
8-mer
3avi
RCSB PDB
PDBbind
8-mer
3avj
RCSB PDB
PDBbind
8-mer
3avk
RCSB PDB
PDBbind
8-mer
3avl
RCSB PDB
PDBbind
8-mer
3avm
RCSB PDB
PDBbind
8-mer
3avn
RCSB PDB
PDBbind
8-mer
3drf
RCSB PDB
PDBbind
8-mer
3ds9
RCSB PDB
PDBbind
8-mer
3eyu
RCSB PDB
PDBbind
8-mer
3h85
RCSB PDB
PDBbind
8-mer
3i91
RCSB PDB
PDBbind
8-mer
3jvk
RCSB PDB
PDBbind
8-mer
3kze
RCSB PDB
PDBbind
8-mer
3muk
RCSB PDB
PDBbind
8-mer
3n5e
RCSB PDB
PDBbind
8-mer
3nf3
RCSB PDB
PDBbind
8-mer
3omc
RCSB PDB
PDBbind
8-mer
3omg
RCSB PDB
PDBbind
8-mer
3p9l
RCSB PDB
PDBbind
8-mer
3p9m
RCSB PDB
PDBbind
8-mer
3pab
RCSB PDB
PDBbind
8-mer
3qg6
RCSB PDB
PDBbind
8-mer
3rdv
RCSB PDB
PDBbind
8-mer
3rwh
RCSB PDB
PDBbind
8-mer
3rwj
RCSB PDB
PDBbind
8-mer
3unn
RCSB PDB
PDBbind
8-mer
3uqp
RCSB PDB
PDBbind
8-mer
3uri
RCSB PDB
PDBbind
8-mer
3uyr
RCSB PDB
PDBbind
8-mer
3zev
RCSB PDB
PDBbind
8-mer
3zvy
RCSB PDB
PDBbind
8-mer
3zyr
RCSB PDB
PDBbind
8-mer
4aa1
RCSB PDB
PDBbind
8-mer
4aph
RCSB PDB
PDBbind
8-mer
4apr
RCSB PDB
PDBbind
8-mer
4dv9
RCSB PDB
PDBbind
8-mer
4e67
RCSB PDB
PDBbind
8-mer
4eoy
RCSB PDB
PDBbind
8-mer
4ep2
RCSB PDB
PDBbind
8-mer
4eqj
RCSB PDB
PDBbind
8-mer
4ezr
RCSB PDB
PDBbind
8-mer
4fmo
RCSB PDB
PDBbind
8-mer
4fn5
RCSB PDB
PDBbind
8-mer
4gpk
RCSB PDB
PDBbind
8-mer
4gvc
RCSB PDB
PDBbind
8-mer
4gvd
RCSB PDB
PDBbind
8-mer
4gvu
RCSB PDB
PDBbind
8-mer
4h36
RCSB PDB
PDBbind
8-mer
4h75
RCSB PDB
PDBbind
8-mer
4ii9
RCSB PDB
PDBbind
8-mer
4jiz
RCSB PDB
PDBbind
8-mer
4lkl
RCSB PDB
PDBbind
8-mer
4lkm
RCSB PDB
PDBbind
8-mer
4mji
RCSB PDB
PDBbind
8-mer
4nxq
RCSB PDB
PDBbind
8-mer
4nxr
RCSB PDB
PDBbind
8-mer
4o2f
RCSB PDB
PDBbind
8-mer
4rxh
RCSB PDB
PDBbind
8-mer
4y7r
RCSB PDB
PDBbind
8-mer
4ysi
RCSB PDB
PDBbind
8-mer
5d7e
RCSB PDB
PDBbind
8-mer
5e2q
RCSB PDB
PDBbind
8-mer
5elq
RCSB PDB
PDBbind
8-mer
5em9
RCSB PDB
PDBbind
8-mer
5ema
RCSB PDB
PDBbind
8-mer
5emb
RCSB PDB
PDBbind
8-mer
5fjx
RCSB PDB
PDBbind
8-mer
5fpi
RCSB PDB
PDBbind
8-mer
5gmv
RCSB PDB
PDBbind
8-mer
5hjb
RCSB PDB
PDBbind
8-mer
5i25
RCSB PDB
PDBbind
8-mer
5iok
RCSB PDB
PDBbind
8-mer
5iql
RCSB PDB
PDBbind
8-mer
5jjm
RCSB PDB
PDBbind
8-mer
5mgx
RCSB PDB
PDBbind
8-mer
5n70
RCSB PDB
PDBbind
8-mer
5svi
RCSB PDB
PDBbind
8-mer
5sxm
RCSB PDB
PDBbind
8-mer
5t6p
RCSB PDB
PDBbind
8-mer
5t78
RCSB PDB
PDBbind
8-mer
5teg
RCSB PDB
PDBbind
8-mer
5tkj
RCSB PDB
PDBbind
8-mer
5tkk
RCSB PDB
PDBbind
8-mer
5vwi
RCSB PDB
PDBbind
8-mer
5vwk
RCSB PDB
PDBbind
8-mer
5wou
RCSB PDB
PDBbind
8-mer
5wtt
RCSB PDB
PDBbind
8-mer
5xjm
RCSB PDB
PDBbind
8-mer
5xn3
RCSB PDB
PDBbind
8-mer
5yba
RCSB PDB
PDBbind
8-mer
6cdm
RCSB PDB
PDBbind
8-mer
6cdo
RCSB PDB
PDBbind
8-mer
6cdp
RCSB PDB
PDBbind
8-mer
6e86
RCSB PDB
PDBbind
8-mer
6eww
RCSB PDB
PDBbind
8-mer
6fau
RCSB PDB
PDBbind
8-mer
6fav
RCSB PDB
PDBbind
8-mer
6faw
RCSB PDB
PDBbind
8-mer
6fbw
RCSB PDB
PDBbind
8-mer
6fby
RCSB PDB
PDBbind
8-mer
6fel
RCSB PDB
PDBbind
8-mer
6fi4
RCSB PDB
PDBbind
8-mer
6fi5
RCSB PDB
PDBbind
8-mer
6fmp
RCSB PDB
PDBbind
8-mer
6fx1
RCSB PDB
PDBbind
8-mer
6hpg
RCSB PDB
PDBbind
8-mer
6min
RCSB PDB
PDBbind
8-mer
6miq
RCSB PDB
PDBbind
8-mer
6q3q
RCSB PDB
PDBbind
8-mer
6r0x
RCSB PDB
PDBbind
8-mer
6qk8
RCSB PDB
PDBbind
8-mer
6q4q
RCSB PDB
PDBbind
8-mer
6mtv
RCSB PDB
PDBbind
8-mer
6mtu
RCSB PDB
PDBbind
8-mer
6ms1
RCSB PDB
PDBbind
8-mer
6mqe
RCSB PDB
PDBbind
8-mer
6mqc
RCSB PDB
PDBbind
8-mer
6jax
RCSB PDB
PDBbind
8-mer
6hmt
RCSB PDB
PDBbind
8-mer
6hhp
RCSB PDB
PDBbind
8-mer
6dtn
RCSB PDB
PDBbind
8-mer
6dql
RCSB PDB
PDBbind
8-mer
6do1
RCSB PDB
PDBbind
8-mer
Entry Information
PDB ID
2kbs
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
PDZ2 domain of Harmonin
Ligand Name
8-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=10uM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) Proc.Natl.Acad.Sci.USA Vol. 106: pp. 5575-5580
Ligand Properties
Formula
C
4
1
H
7
1
N
8
O
1
5
Molecular Weight
916.047
Exact Mass
915.504
No. of atoms
135
No. of bonds
135
Polar Surface Area
374.91
LOGP Value
1.01 (
Computed with XLOGP3
)
-0.51 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 9
No. of Hydrogen Bond Acceptors: 15
No. of Rotatable Bonds: 34
No. of Nitrogen and Oxygen Atoms: 23
No. of Rings: 1
Canonical SMILES
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)CCC(=O)O)[C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](O)C)[NH3+])CC(C)C)CCC(=O)O)C
InChI String
InChI=1S/C41H70N8O15/c1-9-21(6)32(38(60)48-33(23(8)51)39(61)44-24(12-14-29(52)53)34(56)46-27(41(63)64)18-20(4)5)47-35(57)25(13-15-30(54)55)43-36(58)26(17-19(2)3)45-37(59)28-11-10-16-49(28)40(62)31(42)22(7)50/h19-28,31-33,50-51H,9-18,42H2,1-8H3,(H,43,58)(H,44,61)(H,45,59)(H,46,56)(H,47,57)(H,48,60)(H,52,53)(H,54,55)(H,63,64)/p+1/t21-,22+,23+,24-,25-,26-,27-,28-,31-,32-,33-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q9H251
Q9Y6N9
Entrez Gene ID
NCBI Entrez Gene ID:
64072
10083
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝e湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com