Browse entries in the PDBbind-CN Database
HEADER 1AFL_COMPLEX COMPND 1AFL_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 124 LYS GLU THR ALA ALA ALA LYS PHE GLU ARG GLN HIS MET SEQRES 2 A 124 ASP SER SER THR SER ALA ALA SER SER SER ASN TYR CYS SEQRES 3 A 124 ASN GLN MET MET LYS SER ARG ASN LEU THR LYS ASP ARG SEQRES 4 A 124 CYS LYS PRO VAL ASN THR PHE VAL HIS GLU SER LEU ALA SEQRES 5 A 124 ASP VAL GLN ALA VAL CYS SER GLN LYS ASN VAL ALA CYS SEQRES 6 A 124 LYS ASN GLY GLN THR ASN CYS TYR GLN SER TYR SER THR SEQRES 7 A 124 MET SER ILE THR ASP CYS ARG GLU THR GLY SER SER LYS SEQRES 8 A 124 TYR PRO ASN CYS ALA TYR LYS THR THR GLN ALA ASN LYS SEQRES 9 A 124 HIS ILE ILE VAL ALA CYS GLU GLY ASN PRO TYR VAL PRO SEQRES 10 A 124 VAL HIS PHE ASP ALA SER VAL HET ATR A 192 42 SSBOND 1 CYS A 65 CYS A 72 SSBOND 2 CYS A 26 CYS A 84 SSBOND 3 CYS A 40 CYS A 95 SSBOND 4 CYS A 58 CYS A 110 ATOM 1 N LYS A 1 37.844 -20.658 25.931 1.00 45.98 N ATOM 2 CA LYS A 1 38.244 -19.240 25.707 1.00 46.67 C ATOM 3 C LYS A 1 36.997 -18.361 25.792 1.00 44.08 C ATOM 4 O LYS A 1 35.879 -18.856 25.611 1.00 45.48 O ATOM 5 CB LYS A 1 38.932 -19.092 24.339 1.00 49.06 C ATOM 6 CG LYS A 1 38.329 -19.955 23.211 1.00 52.80 C ATOM 7 CD LYS A 1 36.954 -19.466 22.740 1.00 56.36 C ATOM 8 CE LYS A 1 36.246 -20.518 21.888 1.00 57.85 C ATOM 9 NZ LYS A 1 34.897 -20.059 21.434 1.00 58.45 N ATOM 10 HA LYS A 1 38.956 -18.927 26.471 1.00 0.00 H ATOM 11 HB2 LYS A 1 38.866 -18.047 24.038 1.00 0.00 H ATOM 12 HB3 LYS A 1 39.980 -19.370 24.455 1.00 0.00 H ATOM 13 HG2 LYS A 1 39.011 -19.940 22.361 1.00 0.00 H ATOM 14 HG3 LYS A 1 38.227 -20.977 23.575 1.00 0.00 H ATOM 15 HD2 LYS A 1 36.339 -19.244 23.612 1.00 0.00 H ATOM 16 HD3 LYS A 1 37.084 -18.560 22.148 1.00 0.00 H ATOM 17 HE2 LYS A 1 36.128 -21.427 22.478 1.00 0.00 H ATOM 18 HE3 LYS A 1 36.858 -20.731 21.012 1.00 0.00 H ATOM 19 HZ1 LYS A 1 34.303 -19.860 22.264 1.00 0.00 H ATOM 20 HZ2 LYS A 1 35.000 -19.195 20.864 1.00 0.00 H ATOM 21 HZ3 LYS A 1 34.454 -20.804 20.860 1.00 0.00 H ATOM 22 HN3 LYS A 1 37.159 -20.943 25.202 1.00 0.00 H ATOM 23 HN2 LYS A 1 37.409 -20.750 26.871 1.00 0.00 H ATOM 24 HN1 LYS A 1 38.685 -21.267 25.876 1.00 0.00 H ATOM 25 N GLU A 2 37.179 -17.088 26.132 1.00 40.36 N ATOM 26 CA GLU A 2 36.057 -16.161 26.218 1.00 35.03 C ATOM 27 C GLU A 2 35.822 -15.684 24.782 1.00 32.59 C ATOM 28 O GLU A 2 36.772 -15.309 24.095 1.00 33.06 O ATOM 29 CB GLU A 2 36.426 -14.984 27.124 1.00 33.65 C ATOM 30 CG GLU A 2 35.294 -14.020 27.402 1.00 30.53 C ATOM 31 CD GLU A 2 35.715 -12.852 28.280 1.00 29.28 C ATOM 32 OE1 GLU A 2 36.782 -12.258 28.026 1.00 28.24 O ATOM 33 OE2 GLU A 2 34.973 -12.520 29.222 1.00 26.97 O ATOM 34 HA GLU A 2 35.165 -16.624 26.639 1.00 0.00 H ATOM 35 HB2 GLU A 2 36.773 -15.384 28.077 1.00 0.00 H ATOM 36 HB3 GLU A 2 37.235 -14.430 26.648 1.00 0.00 H ATOM 37 HG2 GLU A 2 34.929 -13.628 26.453 1.00 0.00 H ATOM 38 HG3 GLU A 2 34.491 -14.561 27.903 1.00 0.00 H ATOM 39 H GLU A 2 38.139 -16.748 26.340 1.00 0.00 H ATOM 40 N THR A 3 34.593 -15.779 24.290 1.00 29.76 N ATOM 41 CA THR A 3 34.325 -15.331 22.923 1.00 27.24 C ATOM 42 C THR A 3 34.333 -13.803 22.851 1.00 25.59 C ATOM 43 O THR A 3 34.156 -13.118 23.874 1.00 23.93 O ATOM 44 CB THR A 3 32.992 -15.870 22.375 1.00 26.87 C ATOM 45 OG1 THR A 3 31.892 -15.150 22.950 1.00 25.86 O ATOM 46 CG2 THR A 3 32.855 -17.348 22.700 1.00 27.35 C ATOM 47 HA THR A 3 35.122 -15.734 22.298 1.00 0.00 H ATOM 48 HB THR A 3 32.981 -15.736 21.293 1.00 0.00 H ATOM 49 HG1 THR A 3 31.042 -15.506 22.590 1.00 0.00 H ATOM 50 HG23 THR A 3 33.691 -17.894 22.263 1.00 0.00 H ATOM 51 HG21 THR A 3 32.857 -17.483 23.782 1.00 0.00 H ATOM 52 HG22 THR A 3 31.919 -17.724 22.288 1.00 0.00 H ATOM 53 H THR A 3 33.825 -16.170 24.873 1.00 0.00 H ATOM 54 N ALA A 4 34.532 -13.278 21.643 1.00 24.41 N ATOM 55 CA ALA A 4 34.573 -11.832 21.405 1.00 22.55 C ATOM 56 C ALA A 4 33.305 -11.136 21.873 1.00 20.66 C ATOM 57 O ALA A 4 33.371 -10.075 22.490 1.00 21.50 O ATOM 58 CB ALA A 4 34.812 -11.548 19.944 1.00 22.41 C ATOM 59 HA ALA A 4 35.400 -11.432 21.992 1.00 0.00 H ATOM 60 HB1 ALA A 4 35.763 -11.986 19.641 1.00 0.00 H ATOM 61 HB2 ALA A 4 34.006 -11.983 19.354 1.00 0.00 H ATOM 62 HB3 ALA A 4 34.840 -10.470 19.784 1.00 0.00 H ATOM 63 H ALA A 4 34.664 -13.920 20.836 1.00 0.00 H ATOM 64 N ALA A 5 32.156 -11.741 21.588 1.00 19.68 N ATOM 65 CA ALA A 5 30.874 -11.192 21.992 1.00 18.09 C ATOM 66 C ALA A 5 30.754 -11.151 23.518 1.00 18.43 C ATOM 67 O ALA A 5 30.226 -10.181 24.085 1.00 17.98 O ATOM 68 CB ALA A 5 29.746 -12.024 21.396 1.00 19.49 C ATOM 69 HA ALA A 5 30.801 -10.170 21.620 1.00 0.00 H ATOM 70 HB1 ALA A 5 29.819 -12.007 20.309 1.00 0.00 H ATOM 71 HB2 ALA A 5 29.827 -13.051 21.751 1.00 0.00 H ATOM 72 HB3 ALA A 5 28.787 -11.607 21.703 1.00 0.00 H ATOM 73 H ALA A 5 32.176 -12.636 21.059 1.00 0.00 H ATOM 74 N ALA A 6 31.231 -12.210 24.180 1.00 18.54 N ATOM 75 CA ALA A 6 31.181 -12.309 25.647 1.00 16.02 C ATOM 76 C ALA A 6 32.108 -11.278 26.282 1.00 14.62 C ATOM 77 O ALA A 6 31.779 -10.682 27.302 1.00 15.30 O ATOM 78 CB ALA A 6 31.557 -13.722 26.103 1.00 15.95 C ATOM 79 HA ALA A 6 30.161 -12.103 25.972 1.00 0.00 H ATOM 80 HB1 ALA A 6 30.856 -14.439 25.675 1.00 0.00 H ATOM 81 HB2 ALA A 6 32.567 -13.954 25.766 1.00 0.00 H ATOM 82 HB3 ALA A 6 31.514 -13.775 27.191 1.00 0.00 H ATOM 83 H ALA A 6 31.652 -12.992 23.639 1.00 0.00 H ATOM 84 N LYS A 7 33.264 -11.065 25.670 1.00 14.38 N ATOM 85 CA LYS A 7 34.213 -10.083 26.162 1.00 14.77 C ATOM 86 C LYS A 7 33.600 -8.693 26.098 1.00 13.80 C ATOM 87 O LYS A 7 33.816 -7.885 26.990 1.00 15.42 O ATOM 88 CB LYS A 7 35.471 -10.126 25.324 1.00 16.76 C ATOM 89 CG LYS A 7 36.564 -9.195 25.740 1.00 18.82 C ATOM 90 CD LYS A 7 37.784 -9.574 24.927 1.00 25.01 C ATOM 91 CE LYS A 7 39.051 -8.923 25.439 1.00 30.97 C ATOM 92 NZ LYS A 7 39.163 -7.490 25.048 1.00 35.52 N ATOM 93 HA LYS A 7 34.462 -10.315 27.198 1.00 0.00 H ATOM 94 HB2 LYS A 7 35.864 -11.142 25.363 1.00 0.00 H ATOM 95 HB3 LYS A 7 35.197 -9.883 24.297 1.00 0.00 H ATOM 96 HG2 LYS A 7 36.279 -8.163 25.534 1.00 0.00 H ATOM 97 HG3 LYS A 7 36.770 -9.308 26.804 1.00 0.00 H ATOM 98 HD2 LYS A 7 37.907 -10.656 24.966 1.00 0.00 H ATOM 99 HD3 LYS A 7 37.625 -9.265 23.894 1.00 0.00 H ATOM 100 HE2 LYS A 7 39.908 -9.462 25.035 1.00 0.00 H ATOM 101 HE3 LYS A 7 39.062 -8.989 26.527 1.00 0.00 H ATOM 102 HZ1 LYS A 7 39.163 -7.414 24.011 1.00 0.00 H ATOM 103 HZ2 LYS A 7 38.355 -6.962 25.436 1.00 0.00 H ATOM 104 HZ3 LYS A 7 40.049 -7.097 25.426 1.00 0.00 H ATOM 105 H LYS A 7 33.497 -11.614 24.818 1.00 0.00 H ATOM 106 N PHE A 8 32.864 -8.403 25.028 1.00 13.64 N ATOM 107 CA PHE A 8 32.202 -7.104 24.878 1.00 12.39 C ATOM 108 C PHE A 8 31.180 -6.909 26.012 1.00 11.26 C ATOM 109 O PHE A 8 31.028 -5.813 26.562 1.00 11.13 O ATOM 110 CB PHE A 8 31.497 -6.984 23.505 1.00 10.19 C ATOM 111 CG PHE A 8 30.682 -5.715 23.346 1.00 9.56 C ATOM 112 CD1 PHE A 8 31.274 -4.546 22.859 1.00 9.96 C ATOM 113 CD2 PHE A 8 29.338 -5.670 23.743 1.00 10.27 C ATOM 114 CE1 PHE A 8 30.548 -3.353 22.771 1.00 10.25 C ATOM 115 CE2 PHE A 8 28.598 -4.480 23.663 1.00 9.52 C ATOM 116 CZ PHE A 8 29.207 -3.323 23.177 1.00 9.71 C ATOM 117 HA PHE A 8 32.964 -6.326 24.932 1.00 0.00 H ATOM 118 HB2 PHE A 8 32.258 -7.005 22.725 1.00 0.00 H ATOM 119 HB3 PHE A 8 30.831 -7.838 23.384 1.00 0.00 H ATOM 120 HD2 PHE A 8 28.860 -6.574 24.120 1.00 0.00 H ATOM 121 HE2 PHE A 8 27.555 -4.460 23.978 1.00 0.00 H ATOM 122 HZ PHE A 8 28.639 -2.395 23.113 1.00 0.00 H ATOM 123 HE1 PHE A 8 31.024 -2.450 22.388 1.00 0.00 H ATOM 124 HD1 PHE A 8 32.317 -4.564 22.543 1.00 0.00 H ATOM 125 H PHE A 8 32.756 -9.116 24.279 1.00 0.00 H ATOM 126 N GLU A 9 30.445 -7.966 26.327 1.00 13.07 N ATOM 127 CA GLU A 9 29.448 -7.890 27.377 1.00 15.41 C ATOM 128 C GLU A 9 30.111 -7.630 28.734 1.00 14.42 C ATOM 129 O GLU A 9 29.645 -6.792 29.506 1.00 12.18 O ATOM 130 CB GLU A 9 28.599 -9.160 27.384 1.00 19.16 C ATOM 131 CG GLU A 9 27.873 -9.363 26.046 1.00 25.97 C ATOM 132 CD GLU A 9 26.992 -10.594 26.020 1.00 30.10 C ATOM 133 OE1 GLU A 9 26.391 -10.897 27.081 1.00 32.89 O ATOM 134 OE2 GLU A 9 26.900 -11.245 24.944 1.00 31.50 O ATOM 135 HA GLU A 9 28.783 -7.049 27.182 1.00 0.00 H ATOM 136 HB2 GLU A 9 29.246 -10.017 27.569 1.00 0.00 H ATOM 137 HB3 GLU A 9 27.859 -9.086 28.181 1.00 0.00 H ATOM 138 HG2 GLU A 9 27.251 -8.489 25.854 1.00 0.00 H ATOM 139 HG3 GLU A 9 28.620 -9.456 25.258 1.00 0.00 H ATOM 140 H GLU A 9 30.585 -8.860 25.815 1.00 0.00 H ATOM 141 N ARG A 10 31.232 -8.302 28.977 1.00 14.76 N ATOM 142 CA ARG A 10 31.986 -8.123 30.217 1.00 15.57 C ATOM 143 C ARG A 10 32.631 -6.724 30.343 1.00 15.36 C ATOM 144 O ARG A 10 32.586 -6.107 31.400 1.00 16.76 O ATOM 145 CB ARG A 10 33.058 -9.213 30.349 1.00 16.31 C ATOM 146 CG ARG A 10 34.000 -9.001 31.537 1.00 16.94 C ATOM 147 CD ARG A 10 34.958 -10.154 31.714 1.00 17.23 C ATOM 148 NE ARG A 10 35.927 -10.259 30.633 1.00 18.60 N ATOM 149 CZ ARG A 10 37.012 -9.505 30.524 1.00 19.48 C ATOM 150 NH1 ARG A 10 37.273 -8.579 31.431 1.00 20.31 N ATOM 151 NH2 ARG A 10 37.849 -9.696 29.513 1.00 21.65 N ATOM 152 HA ARG A 10 31.267 -8.210 31.032 1.00 0.00 H ATOM 153 HB2 ARG A 10 32.560 -10.175 30.471 1.00 0.00 H ATOM 154 HB3 ARG A 10 33.652 -9.226 29.435 1.00 0.00 H ATOM 155 HG2 ARG A 10 34.574 -8.089 31.373 1.00 0.00 H ATOM 156 HG3 ARG A 10 33.405 -8.896 32.444 1.00 0.00 H ATOM 157 HD2 ARG A 10 34.384 -11.080 31.757 1.00 0.00 H ATOM 158 HD3 ARG A 10 35.497 -10.018 32.652 1.00 0.00 H ATOM 159 HE ARG A 10 35.757 -10.973 29.897 1.00 0.00 H ATOM 160 HH12 ARG A 10 38.125 -7.990 31.342 1.00 0.00 H ATOM 161 HH11 ARG A 10 36.626 -8.440 32.233 1.00 0.00 H ATOM 162 HH22 ARG A 10 38.701 -9.106 29.425 1.00 0.00 H ATOM 163 HH21 ARG A 10 37.653 -10.436 28.809 1.00 0.00 H ATOM 164 H ARG A 10 31.583 -8.974 28.265 1.00 0.00 H ATOM 165 N GLN A 11 33.258 -6.225 29.288 1.00 14.29 N ATOM 166 CA GLN A 11 33.886 -4.917 29.371 1.00 13.51 C ATOM 167 C GLN A 11 32.947 -3.723 29.240 1.00 14.29 C ATOM 168 O GLN A 11 33.273 -2.643 29.715 1.00 14.68 O ATOM 169 CB GLN A 11 34.915 -4.756 28.267 1.00 13.74 C ATOM 170 CG GLN A 11 35.941 -5.815 28.155 1.00 15.86 C ATOM 171 CD GLN A 11 37.062 -5.348 27.271 1.00 19.48 C ATOM 172 OE1 GLN A 11 38.105 -4.923 27.759 1.00 22.07 O ATOM 173 NE2 GLN A 11 36.836 -5.358 25.969 1.00 20.09 N ATOM 174 HA GLN A 11 34.312 -4.905 30.374 1.00 0.00 H ATOM 175 HB2 GLN A 11 34.379 -4.714 27.319 1.00 0.00 H ATOM 176 HB3 GLN A 11 35.432 -3.811 28.433 1.00 0.00 H ATOM 177 HG2 GLN A 11 36.333 -6.045 29.146 1.00 0.00 H ATOM 178 HG3 GLN A 11 35.491 -6.711 27.727 1.00 0.00 H ATOM 179 HE22 GLN A 11 35.937 -5.728 25.600 1.00 0.00 H ATOM 180 HE21 GLN A 11 37.557 -4.996 25.313 1.00 0.00 H ATOM 181 H GLN A 11 33.301 -6.768 28.402 1.00 0.00 H ATOM 182 N HIS A 12 31.798 -3.898 28.574 1.00 14.04 N ATOM 183 CA HIS A 12 30.920 -2.753 28.300 1.00 13.36 C ATOM 184 C HIS A 12 29.456 -2.744 28.709 1.00 13.04 C ATOM 185 O HIS A 12 28.847 -1.683 28.719 1.00 14.60 O ATOM 186 CB HIS A 12 30.994 -2.405 26.803 1.00 10.59 C ATOM 187 CG HIS A 12 32.389 -2.233 26.292 1.00 9.65 C ATOM 188 ND1 HIS A 12 33.192 -1.173 26.655 1.00 9.04 N ATOM 189 CD2 HIS A 12 33.127 -2.985 25.440 1.00 10.15 C ATOM 190 CE1 HIS A 12 34.361 -1.279 26.047 1.00 9.52 C ATOM 191 NE2 HIS A 12 34.346 -2.372 25.305 1.00 9.91 N ATOM 192 HA HIS A 12 31.343 -2.023 28.990 1.00 0.00 H ATOM 193 HB2 HIS A 12 30.518 -3.207 26.239 1.00 0.00 H ATOM 194 HB3 HIS A 12 30.450 -1.475 26.639 1.00 0.00 H ATOM 195 HD2 HIS A 12 32.810 -3.907 24.952 1.00 0.00 H ATOM 196 HE1 HIS A 12 35.195 -0.583 26.142 1.00 0.00 H ATOM 197 H HIS A 12 31.527 -4.848 28.250 1.00 0.00 H ATOM 198 N MET A 13 28.883 -3.893 29.028 1.00 12.76 N ATOM 199 CA MET A 13 27.481 -3.923 29.386 1.00 13.43 C ATOM 200 C MET A 13 27.175 -3.874 30.873 1.00 14.98 C ATOM 201 O MET A 13 27.691 -4.668 31.647 1.00 16.89 O ATOM 202 CB MET A 13 26.801 -5.181 28.830 1.00 14.08 C ATOM 203 CG MET A 13 26.621 -5.236 27.320 1.00 17.34 C ATOM 204 SD MET A 13 25.703 -3.847 26.645 1.00 17.39 S ATOM 205 CE MET A 13 24.154 -3.986 27.521 1.00 16.75 C ATOM 206 HA MET A 13 27.093 -3.005 28.944 1.00 0.00 H ATOM 207 HB2 MET A 13 27.401 -6.042 29.125 1.00 0.00 H ATOM 208 HB3 MET A 13 25.814 -5.255 29.286 1.00 0.00 H ATOM 209 HG2 MET A 13 26.088 -6.154 27.071 1.00 0.00 H ATOM 210 HG3 MET A 13 27.608 -5.253 26.857 1.00 0.00 H ATOM 211 HE1 MET A 13 23.699 -4.952 27.301 1.00 0.00 H ATOM 212 HE2 MET A 13 24.335 -3.904 28.593 1.00 0.00 H ATOM 213 HE3 MET A 13 23.485 -3.187 27.202 1.00 0.00 H ATOM 214 H MET A 13 29.438 -4.772 29.022 1.00 0.00 H ATOM 215 N ASP A 14 26.320 -2.938 31.255 1.00 15.54 N ATOM 216 CA ASP A 14 25.832 -2.842 32.624 1.00 16.88 C ATOM 217 C ASP A 14 24.363 -2.365 32.644 1.00 16.64 C ATOM 218 O ASP A 14 24.063 -1.189 32.886 1.00 15.15 O ATOM 219 CB ASP A 14 26.703 -1.976 33.526 1.00 16.93 C ATOM 220 CG ASP A 14 26.175 -1.944 34.956 1.00 18.94 C ATOM 221 OD1 ASP A 14 25.607 -2.964 35.392 1.00 20.53 O ATOM 222 OD2 ASP A 14 26.270 -0.898 35.624 1.00 21.47 O ATOM 223 HA ASP A 14 25.887 -3.848 33.040 1.00 0.00 H ATOM 224 HB2 ASP A 14 27.716 -2.378 33.532 1.00 0.00 H ATOM 225 HB3 ASP A 14 26.719 -0.960 33.132 1.00 0.00 H ATOM 226 H ASP A 14 25.985 -2.247 30.553 1.00 0.00 H ATOM 227 N SER A 15 23.454 -3.300 32.393 1.00 19.16 N ATOM 228 CA SER A 15 22.025 -3.009 32.381 1.00 23.46 C ATOM 229 C SER A 15 21.432 -2.884 33.793 1.00 27.89 C ATOM 230 O SER A 15 20.335 -2.348 33.959 1.00 29.53 O ATOM 231 CB SER A 15 21.288 -4.118 31.640 1.00 24.06 C ATOM 232 OG SER A 15 21.951 -4.467 30.437 1.00 25.65 O ATOM 233 HA SER A 15 21.900 -2.049 31.881 1.00 0.00 H ATOM 234 HB2 SER A 15 20.280 -3.777 31.404 1.00 0.00 H ATOM 235 HB3 SER A 15 21.232 -4.997 32.282 1.00 0.00 H ATOM 236 HG SER A 15 22.001 -3.674 29.847 1.00 0.00 H ATOM 237 H SER A 15 23.771 -4.271 32.199 1.00 0.00 H ATOM 238 N SER A 16 22.159 -3.377 34.798 1.00 32.66 N ATOM 239 CA SER A 16 21.715 -3.345 36.201 1.00 36.81 C ATOM 240 C SER A 16 21.608 -1.934 36.801 1.00 40.49 C ATOM 241 O SER A 16 21.109 -1.764 37.914 1.00 41.72 O ATOM 242 CB SER A 16 22.657 -4.185 37.082 1.00 36.38 C ATOM 243 OG SER A 16 23.030 -5.421 36.472 1.00 38.46 O ATOM 244 HA SER A 16 20.708 -3.763 36.190 1.00 0.00 H ATOM 245 HB2 SER A 16 22.154 -4.400 38.025 1.00 0.00 H ATOM 246 HB3 SER A 16 23.560 -3.606 37.277 1.00 0.00 H ATOM 247 HG SER A 16 23.633 -5.918 37.079 1.00 0.00 H ATOM 248 H SER A 16 23.082 -3.804 34.580 1.00 0.00 H ATOM 249 N THR A 17 22.128 -0.931 36.101 1.00 42.38 N ATOM 250 CA THR A 17 22.070 0.438 36.596 1.00 45.13 C ATOM 251 C THR A 17 21.694 1.388 35.466 1.00 46.05 C ATOM 252 O THR A 17 22.290 1.345 34.391 1.00 45.70 O ATOM 253 CB THR A 17 23.415 0.879 37.182 1.00 44.84 C ATOM 254 OG1 THR A 17 23.921 -0.146 38.053 1.00 46.63 O ATOM 255 CG2 THR A 17 23.227 2.174 37.971 1.00 46.28 C ATOM 256 HA THR A 17 21.316 0.470 37.382 1.00 0.00 H ATOM 257 HB THR A 17 24.125 1.047 36.372 1.00 0.00 H ATOM 258 HG1 THR A 17 24.790 0.142 38.430 1.00 0.00 H ATOM 259 HG23 THR A 17 22.843 2.949 37.308 1.00 0.00 H ATOM 260 HG21 THR A 17 22.519 2.004 38.782 1.00 0.00 H ATOM 261 HG22 THR A 17 24.185 2.489 38.384 1.00 0.00 H ATOM 262 H THR A 17 22.583 -1.126 35.186 1.00 0.00 H ATOM 263 N SER A 18 20.730 2.263 35.739 1.00 47.12 N ATOM 264 CA SER A 18 20.232 3.232 34.764 1.00 47.63 C ATOM 265 C SER A 18 21.226 4.323 34.356 1.00 49.02 C ATOM 266 O SER A 18 21.158 4.830 33.241 1.00 48.35 O ATOM 267 CB SER A 18 18.937 3.861 35.278 1.00 47.54 C ATOM 268 HA SER A 18 20.055 2.661 33.852 1.00 0.00 H ATOM 269 HB2 SER A 18 18.190 3.081 35.427 1.00 0.00 H ATOM 270 HB3 SER A 18 19.131 4.366 36.224 1.00 0.00 H ATOM 271 H SER A 18 20.311 2.258 36.691 1.00 0.00 H ATOM 272 N ALA A 19 22.143 4.681 35.254 1.00 51.13 N ATOM 273 CA ALA A 19 23.142 5.719 34.980 1.00 52.95 C ATOM 274 C ALA A 19 24.385 5.498 35.842 1.00 54.38 C ATOM 275 O ALA A 19 24.521 4.451 36.482 1.00 54.97 O ATOM 276 CB ALA A 19 22.552 7.104 35.246 1.00 52.41 C ATOM 277 HA ALA A 19 23.430 5.658 33.931 1.00 0.00 H ATOM 278 HB1 ALA A 19 21.688 7.260 34.599 1.00 0.00 H ATOM 279 HB2 ALA A 19 22.243 7.172 36.289 1.00 0.00 H ATOM 280 HB3 ALA A 19 23.305 7.864 35.038 1.00 0.00 H ATOM 281 H ALA A 19 22.150 4.208 36.180 1.00 0.00 H ATOM 282 N ALA A 20 25.312 6.453 35.824 1.00 54.71 N ATOM 283 CA ALA A 20 26.527 6.339 36.629 1.00 56.58 C ATOM 284 C ALA A 20 26.055 6.642 38.026 1.00 57.18 C ATOM 285 O ALA A 20 25.884 7.807 38.405 1.00 56.68 O ATOM 286 CB ALA A 20 27.568 7.345 36.198 1.00 56.53 C ATOM 287 HA ALA A 20 26.998 5.361 36.534 1.00 0.00 H ATOM 288 HB1 ALA A 20 27.827 7.173 35.153 1.00 0.00 H ATOM 289 HB2 ALA A 20 27.168 8.352 36.314 1.00 0.00 H ATOM 290 HB3 ALA A 20 28.458 7.233 36.817 1.00 0.00 H ATOM 291 H ALA A 20 25.170 7.293 35.228 1.00 0.00 H ATOM 292 N SER A 21 25.754 5.570 38.743 1.00 58.21 N ATOM 293 CA SER A 21 25.253 5.637 40.107 1.00 59.20 C ATOM 294 C SER A 21 26.020 6.576 41.063 1.00 57.94 C ATOM 295 O SER A 21 25.426 7.512 41.635 1.00 59.44 O ATOM 296 CB SER A 21 25.152 4.213 40.682 1.00 60.66 C ATOM 297 OG SER A 21 26.324 3.457 40.396 1.00 60.69 O ATOM 298 HA SER A 21 24.268 6.098 40.037 1.00 0.00 H ATOM 299 HB2 SER A 21 24.290 3.712 40.242 1.00 0.00 H ATOM 300 HB3 SER A 21 25.023 4.274 41.763 1.00 0.00 H ATOM 301 HG SER A 21 26.230 2.548 40.777 1.00 0.00 H ATOM 302 H SER A 21 25.882 4.634 38.309 1.00 0.00 H ATOM 303 N SER A 22 27.328 6.367 41.203 1.00 54.18 N ATOM 304 CA SER A 22 28.111 7.191 42.111 1.00 49.79 C ATOM 305 C SER A 22 29.502 7.522 41.610 1.00 46.61 C ATOM 306 O SER A 22 29.967 6.981 40.607 1.00 45.88 O ATOM 307 CB SER A 22 28.227 6.499 43.481 1.00 51.83 C ATOM 308 OG SER A 22 28.899 5.243 43.399 1.00 52.87 O ATOM 309 HA SER A 22 27.572 8.135 42.188 1.00 0.00 H ATOM 310 HB2 SER A 22 27.225 6.335 43.877 1.00 0.00 H ATOM 311 HB3 SER A 22 28.782 7.150 44.157 1.00 0.00 H ATOM 312 HG SER A 22 28.949 4.837 44.301 1.00 0.00 H ATOM 313 H SER A 22 27.792 5.611 40.660 1.00 0.00 H ATOM 314 N SER A 23 30.173 8.389 42.362 1.00 43.41 N ATOM 315 CA SER A 23 31.541 8.809 42.079 1.00 37.82 C ATOM 316 C SER A 23 32.486 7.614 42.201 1.00 34.34 C ATOM 317 O SER A 23 33.578 7.626 41.658 1.00 33.82 O ATOM 318 CB SER A 23 31.957 9.926 43.055 1.00 37.70 C ATOM 319 OG SER A 23 31.470 9.683 44.379 1.00 35.18 O ATOM 320 HA SER A 23 31.596 9.196 41.061 1.00 0.00 H ATOM 321 HB2 SER A 23 31.554 10.874 42.699 1.00 0.00 H ATOM 322 HB3 SER A 23 33.045 9.983 43.084 1.00 0.00 H ATOM 323 HG SER A 23 31.757 10.420 44.975 1.00 0.00 H ATOM 324 H SER A 23 29.698 8.789 43.196 1.00 0.00 H ATOM 325 N ASN A 24 32.058 6.585 42.921 1.00 32.31 N ATOM 326 CA ASN A 24 32.873 5.398 43.095 1.00 31.17 C ATOM 327 C ASN A 24 32.520 4.277 42.125 1.00 28.07 C ATOM 328 O ASN A 24 33.137 3.220 42.160 1.00 26.03 O ATOM 329 CB ASN A 24 32.758 4.878 44.525 1.00 37.10 C ATOM 330 CG ASN A 24 33.965 4.032 44.933 1.00 41.88 C ATOM 331 OD1 ASN A 24 35.117 4.396 44.646 1.00 44.18 O ATOM 332 ND2 ASN A 24 33.714 2.905 45.602 1.00 43.54 N ATOM 333 HA ASN A 24 33.898 5.702 42.882 1.00 0.00 H ATOM 334 HB2 ASN A 24 32.680 5.728 45.202 1.00 0.00 H ATOM 335 HB3 ASN A 24 31.858 4.268 44.605 1.00 0.00 H ATOM 336 HD22 ASN A 24 32.733 2.638 45.821 1.00 0.00 H ATOM 337 HD21 ASN A 24 34.499 2.294 45.904 1.00 0.00 H ATOM 338 H ASN A 24 31.121 6.630 43.369 1.00 0.00 H ATOM 339 N TYR A 25 31.543 4.510 41.252 1.00 26.26 N ATOM 340 CA TYR A 25 31.107 3.509 40.270 1.00 23.68 C ATOM 341 C TYR A 25 32.245 2.912 39.426 1.00 20.81 C ATOM 342 O TYR A 25 32.392 1.690 39.367 1.00 21.45 O ATOM 343 CB TYR A 25 30.035 4.112 39.344 1.00 25.11 C ATOM 344 CG TYR A 25 29.610 3.223 38.184 1.00 24.22 C ATOM 345 CD1 TYR A 25 30.342 3.195 36.986 1.00 24.01 C ATOM 346 CD2 TYR A 25 28.471 2.423 38.281 1.00 23.91 C ATOM 347 CE1 TYR A 25 29.947 2.395 35.925 1.00 23.68 C ATOM 348 CE2 TYR A 25 28.068 1.623 37.225 1.00 24.62 C ATOM 349 CZ TYR A 25 28.809 1.612 36.051 1.00 23.43 C ATOM 350 OH TYR A 25 28.411 0.803 35.016 1.00 21.83 O ATOM 351 HA TYR A 25 30.696 2.683 40.851 1.00 0.00 H ATOM 352 HB3 TYR A 25 30.429 5.041 38.931 1.00 0.00 H ATOM 353 HB2 TYR A 25 29.152 4.328 39.945 1.00 0.00 H ATOM 354 HD2 TYR A 25 27.889 2.428 39.203 1.00 0.00 H ATOM 355 HE2 TYR A 25 27.174 1.006 37.315 1.00 0.00 H ATOM 356 HE1 TYR A 25 30.525 2.381 35.001 1.00 0.00 H ATOM 357 HD1 TYR A 25 31.235 3.812 36.889 1.00 0.00 H ATOM 358 HH TYR A 25 28.411 -0.140 35.317 1.00 0.00 H ATOM 359 H TYR A 25 31.070 5.436 41.266 1.00 0.00 H ATOM 360 N CYS A 26 33.037 3.762 38.777 1.00 20.36 N ATOM 361 CA CYS A 26 34.145 3.301 37.930 1.00 20.46 C ATOM 362 C CYS A 26 35.230 2.500 38.651 1.00 21.16 C ATOM 363 O CYS A 26 35.712 1.489 38.130 1.00 18.82 O ATOM 364 CB CYS A 26 34.746 4.466 37.147 1.00 19.45 C ATOM 365 SG CYS A 26 33.682 5.018 35.757 1.00 21.88 S ATOM 366 HA CYS A 26 33.695 2.588 37.239 1.00 0.00 H ATOM 367 HB2 CYS A 26 35.710 4.154 36.745 1.00 0.00 H ATOM 368 HB3 CYS A 26 34.892 5.305 37.828 1.00 0.00 H ATOM 369 H CYS A 26 32.866 4.783 38.872 1.00 0.00 H ATOM 370 N ASN A 27 35.566 2.911 39.871 1.00 22.42 N ATOM 371 CA ASN A 27 36.574 2.199 40.662 1.00 24.89 C ATOM 372 C ASN A 27 36.114 0.778 40.973 1.00 26.04 C ATOM 373 O ASN A 27 36.908 -0.153 40.924 1.00 27.83 O ATOM 374 CB ASN A 27 36.864 2.916 41.982 1.00 25.42 C ATOM 375 CG ASN A 27 37.559 4.235 41.790 1.00 24.91 C ATOM 376 OD1 ASN A 27 38.346 4.412 40.868 1.00 26.80 O ATOM 377 ND2 ASN A 27 37.251 5.185 42.652 1.00 28.18 N ATOM 378 HA ASN A 27 37.484 2.173 40.062 1.00 0.00 H ATOM 379 HB2 ASN A 27 35.920 3.092 42.498 1.00 0.00 H ATOM 380 HB3 ASN A 27 37.497 2.275 42.595 1.00 0.00 H ATOM 381 HD22 ASN A 27 36.577 4.991 43.420 1.00 0.00 H ATOM 382 HD21 ASN A 27 37.682 6.127 42.563 1.00 0.00 H ATOM 383 H ASN A 27 35.105 3.753 40.271 1.00 0.00 H ATOM 384 N GLN A 28 34.834 0.618 41.310 1.00 26.85 N ATOM 385 CA GLN A 28 34.266 -0.697 41.621 1.00 25.43 C ATOM 386 C GLN A 28 34.097 -1.538 40.355 1.00 22.44 C ATOM 387 O GLN A 28 34.508 -2.696 40.316 1.00 20.25 O ATOM 388 CB GLN A 28 32.913 -0.543 42.337 1.00 28.58 C ATOM 389 CG GLN A 28 32.965 0.394 43.543 1.00 35.95 C ATOM 390 CD GLN A 28 31.594 0.733 44.143 1.00 41.16 C ATOM 391 OE1 GLN A 28 31.480 1.006 45.348 1.00 42.75 O ATOM 392 NE2 GLN A 28 30.559 0.759 43.303 1.00 43.44 N ATOM 393 HA GLN A 28 34.961 -1.213 42.284 1.00 0.00 H ATOM 394 HB2 GLN A 28 32.188 -0.149 41.625 1.00 0.00 H ATOM 395 HB3 GLN A 28 32.589 -1.526 42.677 1.00 0.00 H ATOM 396 HG2 GLN A 28 33.568 -0.080 44.317 1.00 0.00 H ATOM 397 HG3 GLN A 28 33.441 1.324 43.232 1.00 0.00 H ATOM 398 HE22 GLN A 28 30.698 0.523 42.300 1.00 0.00 H ATOM 399 HE21 GLN A 28 29.613 1.015 43.651 1.00 0.00 H ATOM 400 H GLN A 28 34.218 1.455 41.354 1.00 0.00 H ATOM 401 N MET A 29 33.525 -0.931 39.314 1.00 21.90 N ATOM 402 CA MET A 29 33.268 -1.614 38.043 1.00 21.25 C ATOM 403 C MET A 29 34.492 -2.036 37.261 1.00 19.53 C ATOM 404 O MET A 29 34.542 -3.145 36.762 1.00 19.62 O ATOM 405 CB MET A 29 32.348 -0.778 37.158 1.00 22.90 C ATOM 406 CG MET A 29 30.920 -0.733 37.654 1.00 24.92 C ATOM 407 SD MET A 29 30.132 -2.344 37.661 1.00 29.20 S ATOM 408 CE MET A 29 29.839 -2.537 35.883 1.00 28.43 C ATOM 409 HA MET A 29 32.784 -2.546 38.334 1.00 0.00 H ATOM 410 HB2 MET A 29 32.734 0.241 37.122 1.00 0.00 H ATOM 411 HB3 MET A 29 32.353 -1.203 36.154 1.00 0.00 H ATOM 412 HG2 MET A 29 30.348 -0.068 37.007 1.00 0.00 H ATOM 413 HG3 MET A 29 30.917 -0.340 38.671 1.00 0.00 H ATOM 414 HE1 MET A 29 29.200 -1.727 35.531 1.00 0.00 H ATOM 415 HE2 MET A 29 30.791 -2.506 35.354 1.00 0.00 H ATOM 416 HE3 MET A 29 29.350 -3.494 35.698 1.00 0.00 H ATOM 417 H MET A 29 33.250 0.068 39.408 1.00 0.00 H ATOM 418 N MET A 30 35.479 -1.161 37.157 1.00 19.26 N ATOM 419 CA MET A 30 36.692 -1.492 36.428 1.00 21.14 C ATOM 420 C MET A 30 37.380 -2.677 37.091 1.00 22.25 C ATOM 421 O MET A 30 37.976 -3.520 36.428 1.00 20.89 O ATOM 422 CB MET A 30 37.636 -0.287 36.394 1.00 20.97 C ATOM 423 CG MET A 30 37.133 0.871 35.539 1.00 22.08 C ATOM 424 SD MET A 30 36.894 0.435 33.811 1.00 18.82 S ATOM 425 CE MET A 30 38.608 0.406 33.248 1.00 20.89 C ATOM 426 HA MET A 30 36.430 -1.757 35.404 1.00 0.00 H ATOM 427 HB2 MET A 30 37.770 0.073 37.414 1.00 0.00 H ATOM 428 HB3 MET A 30 38.597 -0.615 35.997 1.00 0.00 H ATOM 429 HG2 MET A 30 37.860 1.682 35.593 1.00 0.00 H ATOM 430 HG3 MET A 30 36.180 1.211 35.944 1.00 0.00 H ATOM 431 HE1 MET A 30 39.055 1.389 33.398 1.00 0.00 H ATOM 432 HE2 MET A 30 39.164 -0.338 33.818 1.00 0.00 H ATOM 433 HE3 MET A 30 38.637 0.150 32.189 1.00 0.00 H ATOM 434 H MET A 30 35.386 -0.226 37.602 1.00 0.00 H ATOM 435 N LYS A 31 37.286 -2.723 38.411 1.00 23.01 N ATOM 436 CA LYS A 31 37.876 -3.781 39.206 1.00 25.11 C ATOM 437 C LYS A 31 37.130 -5.107 39.030 1.00 23.81 C ATOM 438 O LYS A 31 37.733 -6.125 38.682 1.00 22.29 O ATOM 439 CB LYS A 31 37.842 -3.352 40.673 1.00 29.81 C ATOM 440 CG LYS A 31 38.462 -4.318 41.668 1.00 35.63 C ATOM 441 CD LYS A 31 39.972 -4.350 41.552 1.00 41.69 C ATOM 442 CE LYS A 31 40.588 -4.764 42.873 1.00 44.36 C ATOM 443 NZ LYS A 31 40.250 -3.755 43.920 1.00 47.16 N ATOM 444 HA LYS A 31 38.902 -3.943 38.875 1.00 0.00 H ATOM 445 HB2 LYS A 31 38.373 -2.403 40.755 1.00 0.00 H ATOM 446 HB3 LYS A 31 36.799 -3.209 40.954 1.00 0.00 H ATOM 447 HG2 LYS A 31 38.192 -4.008 42.677 1.00 0.00 H ATOM 448 HG3 LYS A 31 38.072 -5.318 41.480 1.00 0.00 H ATOM 449 HD2 LYS A 31 40.259 -5.064 40.780 1.00 0.00 H ATOM 450 HD3 LYS A 31 40.334 -3.358 41.280 1.00 0.00 H ATOM 451 HE2 LYS A 31 41.671 -4.827 42.765 1.00 0.00 H ATOM 452 HE3 LYS A 31 40.196 -5.738 43.167 1.00 0.00 H ATOM 453 HZ1 LYS A 31 40.625 -2.827 43.639 1.00 0.00 H ATOM 454 HZ2 LYS A 31 39.217 -3.697 44.023 1.00 0.00 H ATOM 455 HZ3 LYS A 31 40.674 -4.041 44.825 1.00 0.00 H ATOM 456 H LYS A 31 36.766 -1.966 38.899 1.00 0.00 H ATOM 457 N SER A 32 35.814 -5.077 39.227 1.00 22.58 N ATOM 458 CA SER A 32 34.988 -6.277 39.135 1.00 23.47 C ATOM 459 C SER A 32 34.878 -6.942 37.764 1.00 22.57 C ATOM 460 O SER A 32 34.622 -8.148 37.685 1.00 22.13 O ATOM 461 CB SER A 32 33.586 -6.029 39.710 1.00 25.29 C ATOM 462 OG SER A 32 32.957 -4.910 39.110 1.00 28.12 O ATOM 463 HA SER A 32 35.539 -6.998 39.739 1.00 0.00 H ATOM 464 HB2 SER A 32 33.671 -5.852 40.782 1.00 0.00 H ATOM 465 HB3 SER A 32 32.973 -6.913 39.536 1.00 0.00 H ATOM 466 HG SER A 32 33.505 -4.101 39.269 1.00 0.00 H ATOM 467 H SER A 32 35.360 -4.169 39.454 1.00 0.00 H ATOM 468 N ARG A 33 35.037 -6.157 36.699 1.00 21.26 N ATOM 469 CA ARG A 33 34.964 -6.682 35.333 1.00 20.50 C ATOM 470 C ARG A 33 36.333 -7.154 34.860 1.00 21.15 C ATOM 471 O ARG A 33 36.505 -7.501 33.704 1.00 21.03 O ATOM 472 CB ARG A 33 34.383 -5.627 34.380 1.00 18.11 C ATOM 473 CG ARG A 33 32.935 -5.238 34.709 1.00 16.63 C ATOM 474 CD ARG A 33 32.035 -6.477 34.744 1.00 17.92 C ATOM 475 NE ARG A 33 30.620 -6.170 34.995 1.00 17.13 N ATOM 476 CZ ARG A 33 29.744 -5.803 34.060 1.00 17.81 C ATOM 477 NH1 ARG A 33 30.120 -5.690 32.781 1.00 16.71 N ATOM 478 NH2 ARG A 33 28.491 -5.534 34.402 1.00 15.56 N ATOM 479 HA ARG A 33 34.296 -7.543 35.332 1.00 0.00 H ATOM 480 HB2 ARG A 33 35.003 -4.732 34.436 1.00 0.00 H ATOM 481 HB3 ARG A 33 34.412 -6.024 33.365 1.00 0.00 H ATOM 482 HG2 ARG A 33 32.908 -4.749 35.683 1.00 0.00 H ATOM 483 HG3 ARG A 33 32.567 -4.550 33.948 1.00 0.00 H ATOM 484 HD2 ARG A 33 32.390 -7.139 35.534 1.00 0.00 H ATOM 485 HD3 ARG A 33 32.112 -6.986 33.783 1.00 0.00 H ATOM 486 HE ARG A 33 30.277 -6.245 35.974 1.00 0.00 H ATOM 487 HH12 ARG A 33 29.429 -5.403 32.059 1.00 0.00 H ATOM 488 HH11 ARG A 33 31.104 -5.889 32.509 1.00 0.00 H ATOM 489 HH22 ARG A 33 27.804 -5.247 33.676 1.00 0.00 H ATOM 490 HH21 ARG A 33 28.196 -5.610 35.396 1.00 0.00 H ATOM 491 H ARG A 33 35.218 -5.143 36.841 1.00 0.00 H ATOM 492 N ASN A 34 37.308 -7.149 35.771 1.00 24.05 N ATOM 493 CA ASN A 34 38.676 -7.581 35.495 1.00 25.85 C ATOM 494 C ASN A 34 39.483 -6.735 34.543 1.00 25.80 C ATOM 495 O ASN A 34 40.445 -7.211 33.928 1.00 25.10 O ATOM 496 CB ASN A 34 38.688 -9.007 35.003 1.00 31.54 C ATOM 497 CG ASN A 34 39.114 -9.954 36.065 1.00 37.35 C ATOM 498 OD1 ASN A 34 40.318 -10.153 36.285 1.00 42.26 O ATOM 499 ND2 ASN A 34 38.145 -10.515 36.786 1.00 38.70 N ATOM 500 HA ASN A 34 39.170 -7.470 36.460 1.00 0.00 H ATOM 501 HB2 ASN A 34 37.684 -9.275 34.673 1.00 0.00 H ATOM 502 HB3 ASN A 34 39.378 -9.085 34.163 1.00 0.00 H ATOM 503 HD22 ASN A 34 37.149 -10.317 36.562 1.00 0.00 H ATOM 504 HD21 ASN A 34 38.384 -11.151 37.573 1.00 0.00 H ATOM 505 H ASN A 34 37.081 -6.819 36.731 1.00 0.00 H ATOM 506 N LEU A 35 39.170 -5.448 34.517 1.00 25.22 N ATOM 507 CA LEU A 35 39.836 -4.530 33.611 1.00 27.33 C ATOM 508 C LEU A 35 41.128 -3.908 34.161 1.00 28.82 C ATOM 509 O LEU A 35 41.807 -3.159 33.455 1.00 29.99 O ATOM 510 CB LEU A 35 38.830 -3.459 33.168 1.00 26.49 C ATOM 511 CG LEU A 35 37.509 -4.055 32.657 1.00 24.84 C ATOM 512 CD1 LEU A 35 36.518 -2.975 32.329 1.00 24.06 C ATOM 513 CD2 LEU A 35 37.767 -4.916 31.441 1.00 25.43 C ATOM 514 HA LEU A 35 40.174 -5.112 32.753 1.00 0.00 H ATOM 515 HB2 LEU A 35 38.614 -2.811 34.018 1.00 0.00 H ATOM 516 HB3 LEU A 35 39.278 -2.870 32.368 1.00 0.00 H ATOM 517 HG LEU A 35 37.084 -4.672 33.449 1.00 0.00 H ATOM 518 HD21 LEU A 35 38.215 -4.308 30.655 1.00 0.00 H ATOM 519 HD22 LEU A 35 38.447 -5.725 31.708 1.00 0.00 H ATOM 520 HD23 LEU A 35 36.825 -5.334 31.087 1.00 0.00 H ATOM 521 HD11 LEU A 35 36.313 -2.388 33.224 1.00 0.00 H ATOM 522 HD12 LEU A 35 36.931 -2.328 31.555 1.00 0.00 H ATOM 523 HD13 LEU A 35 35.594 -3.428 31.970 1.00 0.00 H ATOM 524 H LEU A 35 38.434 -5.089 35.157 1.00 0.00 H ATOM 525 N THR A 36 41.474 -4.241 35.404 1.00 30.48 N ATOM 526 CA THR A 36 42.684 -3.714 36.032 1.00 32.34 C ATOM 527 C THR A 36 43.625 -4.842 36.491 1.00 35.67 C ATOM 528 O THR A 36 44.610 -4.605 37.199 1.00 37.02 O ATOM 529 CB THR A 36 42.345 -2.813 37.244 1.00 29.48 C ATOM 530 OG1 THR A 36 41.592 -3.558 38.212 1.00 29.06 O ATOM 531 CG2 THR A 36 41.539 -1.602 36.803 1.00 29.04 C ATOM 532 HA THR A 36 43.191 -3.118 35.273 1.00 0.00 H ATOM 533 HB THR A 36 43.280 -2.472 37.690 1.00 0.00 H ATOM 534 HG1 THR A 36 41.380 -2.975 38.983 1.00 0.00 H ATOM 535 HG23 THR A 36 42.110 -1.035 36.068 1.00 0.00 H ATOM 536 HG21 THR A 36 40.601 -1.934 36.359 1.00 0.00 H ATOM 537 HG22 THR A 36 41.330 -0.972 37.667 1.00 0.00 H ATOM 538 H THR A 36 40.867 -4.893 35.941 1.00 0.00 H ATOM 539 N LYS A 37 43.339 -6.061 36.054 1.00 37.97 N ATOM 540 CA LYS A 37 44.131 -7.219 36.443 1.00 41.21 C ATOM 541 C LYS A 37 45.569 -7.257 35.902 1.00 41.79 C ATOM 542 O LYS A 37 46.487 -7.670 36.605 1.00 42.64 O ATOM 543 CB LYS A 37 43.391 -8.506 36.061 1.00 43.65 C ATOM 544 CG LYS A 37 43.778 -9.720 36.894 1.00 47.09 C ATOM 545 CD LYS A 37 43.543 -11.003 36.127 1.00 50.57 C ATOM 546 CE LYS A 37 44.423 -11.046 34.885 1.00 51.49 C ATOM 547 NZ LYS A 37 44.245 -12.293 34.098 1.00 52.59 N ATOM 548 HA LYS A 37 44.244 -7.133 37.524 1.00 0.00 H ATOM 549 HB2 LYS A 37 42.321 -8.335 36.183 1.00 0.00 H ATOM 550 HB3 LYS A 37 43.606 -8.726 35.015 1.00 0.00 H ATOM 551 HG2 LYS A 37 44.833 -9.650 37.157 1.00 0.00 H ATOM 552 HG3 LYS A 37 43.178 -9.734 37.804 1.00 0.00 H ATOM 553 HD2 LYS A 37 43.781 -11.853 36.766 1.00 0.00 H ATOM 554 HD3 LYS A 37 42.496 -11.057 35.828 1.00 0.00 H ATOM 555 HE2 LYS A 37 45.466 -10.974 35.194 1.00 0.00 H ATOM 556 HE3 LYS A 37 44.174 -10.195 34.251 1.00 0.00 H ATOM 557 HZ1 LYS A 37 44.489 -13.113 34.690 1.00 0.00 H ATOM 558 HZ2 LYS A 37 43.255 -12.369 33.790 1.00 0.00 H ATOM 559 HZ3 LYS A 37 44.868 -12.268 33.265 1.00 0.00 H ATOM 560 H LYS A 37 42.528 -6.193 35.417 1.00 0.00 H ATOM 561 N ASP A 38 45.764 -6.868 34.651 1.00 41.15 N ATOM 562 CA ASP A 38 47.102 -6.889 34.074 1.00 41.76 C ATOM 563 C ASP A 38 47.782 -5.536 34.173 1.00 40.46 C ATOM 564 O ASP A 38 49.004 -5.435 34.139 1.00 39.46 O ATOM 565 CB ASP A 38 47.050 -7.351 32.611 1.00 44.99 C ATOM 566 CG ASP A 38 46.931 -8.874 32.472 1.00 48.99 C ATOM 567 OD1 ASP A 38 46.920 -9.591 33.508 1.00 50.66 O ATOM 568 OD2 ASP A 38 46.870 -9.354 31.314 1.00 49.65 O ATOM 569 HA ASP A 38 47.694 -7.599 34.651 1.00 0.00 H ATOM 570 HB2 ASP A 38 46.188 -6.889 32.130 1.00 0.00 H ATOM 571 HB3 ASP A 38 47.962 -7.026 32.110 1.00 0.00 H ATOM 572 H ASP A 38 44.958 -6.546 34.078 1.00 0.00 H ATOM 573 N ARG A 39 46.965 -4.501 34.289 1.00 37.41 N ATOM 574 CA ARG A 39 47.430 -3.128 34.392 1.00 36.18 C ATOM 575 C ARG A 39 46.156 -2.302 34.444 1.00 33.56 C ATOM 576 O ARG A 39 45.065 -2.861 34.374 1.00 33.68 O ATOM 577 CB ARG A 39 48.249 -2.753 33.160 1.00 38.88 C ATOM 578 CG ARG A 39 47.423 -2.607 31.916 1.00 41.26 C ATOM 579 CD ARG A 39 48.283 -2.398 30.705 1.00 44.32 C ATOM 580 NE ARG A 39 47.440 -2.039 29.578 1.00 47.53 N ATOM 581 CZ ARG A 39 47.171 -0.789 29.222 1.00 50.02 C ATOM 582 NH1 ARG A 39 47.698 0.228 29.900 1.00 50.44 N ATOM 583 NH2 ARG A 39 46.324 -0.559 28.222 1.00 50.32 N ATOM 584 HA ARG A 39 48.070 -2.968 35.260 1.00 0.00 H ATOM 585 HB2 ARG A 39 48.752 -1.806 33.354 1.00 0.00 H ATOM 586 HB3 ARG A 39 48.994 -3.530 32.991 1.00 0.00 H ATOM 587 HG2 ARG A 39 46.829 -3.510 31.777 1.00 0.00 H ATOM 588 HG3 ARG A 39 46.758 -1.751 32.031 1.00 0.00 H ATOM 589 HD2 ARG A 39 48.824 -3.317 30.478 1.00 0.00 H ATOM 590 HD3 ARG A 39 48.996 -1.596 30.898 1.00 0.00 H ATOM 591 HE ARG A 39 47.022 -2.808 29.016 1.00 0.00 H ATOM 592 HH12 ARG A 39 47.485 1.206 29.619 1.00 0.00 H ATOM 593 HH11 ARG A 39 48.322 0.044 30.711 1.00 0.00 H ATOM 594 HH22 ARG A 39 46.108 0.418 27.937 1.00 0.00 H ATOM 595 HH21 ARG A 39 45.878 -1.356 27.725 1.00 0.00 H ATOM 596 H ARG A 39 45.941 -4.679 34.307 1.00 0.00 H ATOM 597 N CYS A 40 46.272 -0.990 34.572 1.00 30.37 N ATOM 598 CA CYS A 40 45.071 -0.169 34.607 1.00 28.31 C ATOM 599 C CYS A 40 44.630 0.234 33.193 1.00 27.49 C ATOM 600 O CYS A 40 45.381 0.912 32.472 1.00 26.07 O ATOM 601 CB CYS A 40 45.309 1.100 35.421 1.00 27.94 C ATOM 602 SG CYS A 40 46.063 0.858 37.057 1.00 27.40 S ATOM 603 HA CYS A 40 44.287 -0.767 35.072 1.00 0.00 H ATOM 604 HB2 CYS A 40 44.347 1.591 35.565 1.00 0.00 H ATOM 605 HB3 CYS A 40 45.965 1.751 34.843 1.00 0.00 H ATOM 606 H CYS A 40 47.212 -0.550 34.647 1.00 0.00 H ATOM 607 N LYS A 41 43.454 -0.225 32.765 1.00 25.30 N ATOM 608 CA LYS A 41 42.945 0.167 31.456 1.00 23.25 C ATOM 609 C LYS A 41 42.641 1.663 31.609 1.00 21.68 C ATOM 610 O LYS A 41 41.826 2.047 32.429 1.00 22.78 O ATOM 611 CB LYS A 41 41.686 -0.625 31.099 1.00 23.06 C ATOM 612 CG LYS A 41 41.193 -0.287 29.718 1.00 25.30 C ATOM 613 CD LYS A 41 40.021 -1.128 29.254 1.00 29.05 C ATOM 614 CE LYS A 41 39.683 -0.753 27.800 1.00 31.16 C ATOM 615 NZ LYS A 41 38.478 -1.435 27.231 1.00 32.11 N ATOM 616 HA LYS A 41 43.653 -0.032 30.651 1.00 0.00 H ATOM 617 HB2 LYS A 41 41.913 -1.690 31.143 1.00 0.00 H ATOM 618 HB3 LYS A 41 40.904 -0.391 31.821 1.00 0.00 H ATOM 619 HG2 LYS A 41 40.888 0.759 29.710 1.00 0.00 H ATOM 620 HG3 LYS A 41 42.015 -0.429 29.017 1.00 0.00 H ATOM 621 HD2 LYS A 41 40.284 -2.184 29.308 1.00 0.00 H ATOM 622 HD3 LYS A 41 39.158 -0.937 29.892 1.00 0.00 H ATOM 623 HE2 LYS A 41 40.541 -1.008 27.177 1.00 0.00 H ATOM 624 HE3 LYS A 41 39.513 0.323 27.759 1.00 0.00 H ATOM 625 HZ1 LYS A 41 38.624 -2.465 27.246 1.00 0.00 H ATOM 626 HZ2 LYS A 41 37.643 -1.194 27.802 1.00 0.00 H ATOM 627 HZ3 LYS A 41 38.333 -1.119 26.251 1.00 0.00 H ATOM 628 H LYS A 41 42.897 -0.865 33.367 1.00 0.00 H ATOM 629 N PRO A 42 43.326 2.528 30.844 1.00 21.87 N ATOM 630 CA PRO A 42 43.124 3.982 30.919 1.00 21.79 C ATOM 631 C PRO A 42 41.707 4.536 30.743 1.00 21.93 C ATOM 632 O PRO A 42 41.327 5.468 31.443 1.00 22.68 O ATOM 633 CB PRO A 42 44.116 4.521 29.885 1.00 22.23 C ATOM 634 CG PRO A 42 44.285 3.388 28.932 1.00 22.64 C ATOM 635 CD PRO A 42 44.327 2.192 29.820 1.00 22.75 C ATOM 636 HA PRO A 42 43.294 4.317 31.942 1.00 0.00 H ATOM 637 HD3 PRO A 42 44.050 1.288 29.278 1.00 0.00 H ATOM 638 HD2 PRO A 42 45.315 2.062 30.261 1.00 0.00 H ATOM 639 HG3 PRO A 42 45.212 3.488 28.368 1.00 0.00 H ATOM 640 HG2 PRO A 42 43.444 3.331 28.240 1.00 0.00 H ATOM 641 HB2 PRO A 42 43.712 5.398 29.379 1.00 0.00 H ATOM 642 HB3 PRO A 42 45.065 4.779 30.354 1.00 0.00 H ATOM 643 N VAL A 43 40.937 4.005 29.796 1.00 22.38 N ATOM 644 CA VAL A 43 39.553 4.465 29.593 1.00 21.59 C ATOM 645 C VAL A 43 38.655 3.291 29.205 1.00 19.29 C ATOM 646 O VAL A 43 39.120 2.337 28.585 1.00 19.62 O ATOM 647 CB VAL A 43 39.423 5.553 28.487 1.00 22.76 C ATOM 648 CG1 VAL A 43 40.167 6.820 28.877 1.00 24.63 C ATOM 649 CG2 VAL A 43 39.932 5.023 27.174 1.00 22.55 C ATOM 650 HA VAL A 43 39.244 4.903 30.542 1.00 0.00 H ATOM 651 HB VAL A 43 38.368 5.805 28.378 1.00 0.00 H ATOM 652 HG11 VAL A 43 39.751 7.213 29.805 1.00 0.00 H ATOM 653 HG12 VAL A 43 41.223 6.591 29.019 1.00 0.00 H ATOM 654 HG13 VAL A 43 40.058 7.562 28.086 1.00 0.00 H ATOM 655 HG21 VAL A 43 40.980 4.743 27.278 1.00 0.00 H ATOM 656 HG22 VAL A 43 39.348 4.149 26.886 1.00 0.00 H ATOM 657 HG23 VAL A 43 39.835 5.794 26.410 1.00 0.00 H ATOM 658 H VAL A 43 41.319 3.252 29.189 1.00 0.00 H ATOM 659 N ASN A 44 37.380 3.367 29.577 1.00 17.82 N ATOM 660 CA ASN A 44 36.409 2.324 29.263 1.00 15.60 C ATOM 661 C ASN A 44 35.023 2.899 29.419 1.00 15.08 C ATOM 662 O ASN A 44 34.799 3.759 30.257 1.00 17.26 O ATOM 663 CB ASN A 44 36.553 1.128 30.201 1.00 14.71 C ATOM 664 CG ASN A 44 35.752 -0.077 29.738 1.00 15.69 C ATOM 665 OD1 ASN A 44 35.991 -0.615 28.656 1.00 18.20 O ATOM 666 ND2 ASN A 44 34.804 -0.506 30.546 1.00 14.32 N ATOM 667 HA ASN A 44 36.583 1.982 28.243 1.00 0.00 H ATOM 668 HB2 ASN A 44 37.605 0.849 30.253 1.00 0.00 H ATOM 669 HB3 ASN A 44 36.206 1.418 31.193 1.00 0.00 H ATOM 670 HD22 ASN A 44 34.634 -0.023 31.451 1.00 0.00 H ATOM 671 HD21 ASN A 44 34.225 -1.328 30.279 1.00 0.00 H ATOM 672 H ASN A 44 37.063 4.201 30.112 1.00 0.00 H ATOM 673 N THR A 45 34.090 2.416 28.611 1.00 14.13 N ATOM 674 CA THR A 45 32.711 2.896 28.656 1.00 13.82 C ATOM 675 C THR A 45 31.756 1.747 28.955 1.00 11.77 C ATOM 676 O THR A 45 31.917 0.649 28.436 1.00 12.22 O ATOM 677 CB THR A 45 32.292 3.536 27.276 1.00 14.02 C ATOM 678 OG1 THR A 45 33.160 4.635 26.965 1.00 17.36 O ATOM 679 CG2 THR A 45 30.831 4.022 27.293 1.00 13.52 C ATOM 680 HA THR A 45 32.654 3.648 29.443 1.00 0.00 H ATOM 681 HB THR A 45 32.381 2.764 26.512 1.00 0.00 H ATOM 682 HG1 THR A 45 33.092 5.319 27.677 1.00 0.00 H ATOM 683 HG23 THR A 45 30.174 3.185 27.529 1.00 0.00 H ATOM 684 HG21 THR A 45 30.717 4.800 28.048 1.00 0.00 H ATOM 685 HG22 THR A 45 30.572 4.424 26.314 1.00 0.00 H ATOM 686 H THR A 45 34.346 1.676 27.927 1.00 0.00 H ATOM 687 N PHE A 46 30.779 2.008 29.814 1.00 12.62 N ATOM 688 CA PHE A 46 29.754 1.034 30.151 1.00 12.13 C ATOM 689 C PHE A 46 28.442 1.591 29.614 1.00 10.72 C ATOM 690 O PHE A 46 28.181 2.790 29.728 1.00 11.69 O ATOM 691 CB PHE A 46 29.658 0.837 31.664 1.00 13.57 C ATOM 692 CG PHE A 46 30.793 0.047 32.242 1.00 13.69 C ATOM 693 CD1 PHE A 46 30.778 -1.341 32.211 1.00 14.09 C ATOM 694 CD2 PHE A 46 31.871 0.693 32.839 1.00 13.84 C ATOM 695 CE1 PHE A 46 31.823 -2.081 32.774 1.00 16.87 C ATOM 696 CE2 PHE A 46 32.924 -0.044 33.407 1.00 15.41 C ATOM 697 CZ PHE A 46 32.895 -1.428 33.374 1.00 15.09 C ATOM 698 HA PHE A 46 29.989 0.062 29.717 1.00 0.00 H ATOM 699 HB2 PHE A 46 29.644 1.818 32.139 1.00 0.00 H ATOM 700 HB3 PHE A 46 28.727 0.315 31.885 1.00 0.00 H ATOM 701 HD2 PHE A 46 31.899 1.782 32.866 1.00 0.00 H ATOM 702 HE2 PHE A 46 33.763 0.473 33.873 1.00 0.00 H ATOM 703 HZ PHE A 46 33.708 -2.003 33.816 1.00 0.00 H ATOM 704 HE1 PHE A 46 31.797 -3.170 32.743 1.00 0.00 H ATOM 705 HD1 PHE A 46 29.942 -1.860 31.742 1.00 0.00 H ATOM 706 H PHE A 46 30.745 2.945 30.263 1.00 0.00 H ATOM 707 N VAL A 47 27.622 0.708 29.054 1.00 11.57 N ATOM 708 CA VAL A 47 26.330 1.065 28.454 1.00 12.37 C ATOM 709 C VAL A 47 25.203 0.562 29.334 1.00 11.48 C ATOM 710 O VAL A 47 25.147 -0.625 29.619 1.00 12.77 O ATOM 711 CB VAL A 47 26.169 0.417 27.049 1.00 12.01 C ATOM 712 CG1 VAL A 47 24.838 0.815 26.420 1.00 11.17 C ATOM 713 CG2 VAL A 47 27.351 0.800 26.155 1.00 12.22 C ATOM 714 HA VAL A 47 26.294 2.150 28.360 1.00 0.00 H ATOM 715 HB VAL A 47 26.166 -0.668 27.158 1.00 0.00 H ATOM 716 HG11 VAL A 47 24.021 0.479 27.059 1.00 0.00 H ATOM 717 HG12 VAL A 47 24.797 1.899 26.315 1.00 0.00 H ATOM 718 HG13 VAL A 47 24.748 0.350 25.438 1.00 0.00 H ATOM 719 HG21 VAL A 47 27.387 1.884 26.048 1.00 0.00 H ATOM 720 HG22 VAL A 47 28.277 0.447 26.609 1.00 0.00 H ATOM 721 HG23 VAL A 47 27.227 0.341 25.174 1.00 0.00 H ATOM 722 H VAL A 47 27.911 -0.291 29.040 1.00 0.00 H ATOM 723 N HIS A 48 24.310 1.458 29.741 1.00 13.07 N ATOM 724 CA HIS A 48 23.181 1.110 30.615 1.00 15.25 C ATOM 725 C HIS A 48 21.898 0.941 29.831 1.00 15.66 C ATOM 726 O HIS A 48 20.964 1.733 29.972 1.00 18.63 O ATOM 727 CB HIS A 48 22.963 2.192 31.686 1.00 15.18 C ATOM 728 CG HIS A 48 24.184 2.493 32.494 1.00 16.36 C ATOM 729 ND1 HIS A 48 24.754 1.572 33.342 1.00 19.44 N ATOM 730 CD2 HIS A 48 24.976 3.587 32.542 1.00 16.40 C ATOM 731 CE1 HIS A 48 25.847 2.080 33.877 1.00 17.82 C ATOM 732 NE2 HIS A 48 26.004 3.302 33.407 1.00 18.26 N ATOM 733 HA HIS A 48 23.434 0.163 31.091 1.00 0.00 H ATOM 734 HB2 HIS A 48 22.644 3.108 31.190 1.00 0.00 H ATOM 735 HB3 HIS A 48 22.177 1.854 32.362 1.00 0.00 H ATOM 736 HD2 HIS A 48 24.827 4.519 31.997 1.00 0.00 H ATOM 737 HE1 HIS A 48 26.506 1.577 34.585 1.00 0.00 H ATOM 738 H HIS A 48 24.414 2.444 29.429 1.00 0.00 H ATOM 739 N GLU A 49 21.856 -0.079 28.993 1.00 15.42 N ATOM 740 CA GLU A 49 20.679 -0.350 28.178 1.00 15.88 C ATOM 741 C GLU A 49 20.551 -1.856 28.120 1.00 15.80 C ATOM 742 O GLU A 49 21.465 -2.570 28.534 1.00 16.86 O ATOM 743 CB GLU A 49 20.863 0.233 26.770 1.00 15.13 C ATOM 744 CG GLU A 49 21.121 1.761 26.724 1.00 16.39 C ATOM 745 CD GLU A 49 19.887 2.611 27.070 1.00 17.57 C ATOM 746 OE1 GLU A 49 18.778 2.050 27.150 1.00 20.07 O ATOM 747 OE2 GLU A 49 20.015 3.844 27.261 1.00 17.69 O ATOM 748 HA GLU A 49 19.783 0.107 28.599 1.00 0.00 H ATOM 749 HB2 GLU A 49 21.712 -0.268 26.304 1.00 0.00 H ATOM 750 HB3 GLU A 49 19.960 0.025 26.196 1.00 0.00 H ATOM 751 HG2 GLU A 49 21.912 1.998 27.436 1.00 0.00 H ATOM 752 HG3 GLU A 49 21.449 2.024 25.718 1.00 0.00 H ATOM 753 H GLU A 49 22.683 -0.704 28.913 1.00 0.00 H ATOM 754 N SER A 50 19.430 -2.363 27.638 1.00 15.63 N ATOM 755 CA SER A 50 19.282 -3.808 27.564 1.00 16.32 C ATOM 756 C SER A 50 20.225 -4.387 26.521 1.00 16.51 C ATOM 757 O SER A 50 20.629 -3.702 25.567 1.00 15.41 O ATOM 758 CB SER A 50 17.850 -4.195 27.207 1.00 16.79 C ATOM 759 OG SER A 50 17.545 -3.863 25.865 1.00 20.20 O ATOM 760 HA SER A 50 19.527 -4.214 28.546 1.00 0.00 H ATOM 761 HB2 SER A 50 17.164 -3.666 27.868 1.00 0.00 H ATOM 762 HB3 SER A 50 17.728 -5.270 27.343 1.00 0.00 H ATOM 763 HG SER A 50 16.612 -4.126 25.665 1.00 0.00 H ATOM 764 H SER A 50 18.664 -1.737 27.316 1.00 0.00 H ATOM 765 N LEU A 51 20.529 -5.670 26.674 1.00 16.23 N ATOM 766 CA LEU A 51 21.394 -6.355 25.730 1.00 17.37 C ATOM 767 C LEU A 51 20.763 -6.324 24.332 1.00 16.89 C ATOM 768 O LEU A 51 21.460 -6.124 23.337 1.00 16.91 O ATOM 769 CB LEU A 51 21.627 -7.791 26.180 1.00 17.41 C ATOM 770 CG LEU A 51 22.646 -8.546 25.343 1.00 18.85 C ATOM 771 CD1 LEU A 51 23.912 -7.705 25.180 1.00 19.89 C ATOM 772 CD2 LEU A 51 22.941 -9.885 26.004 1.00 18.24 C ATOM 773 HA LEU A 51 22.357 -5.846 25.691 1.00 0.00 H ATOM 774 HB2 LEU A 51 21.977 -7.774 27.212 1.00 0.00 H ATOM 775 HB3 LEU A 51 20.678 -8.325 26.128 1.00 0.00 H ATOM 776 HG LEU A 51 22.247 -8.736 24.346 1.00 0.00 H ATOM 777 HD21 LEU A 51 23.341 -9.715 27.004 1.00 0.00 H ATOM 778 HD22 LEU A 51 22.021 -10.465 26.073 1.00 0.00 H ATOM 779 HD23 LEU A 51 23.672 -10.430 25.407 1.00 0.00 H ATOM 780 HD11 LEU A 51 23.662 -6.767 24.684 1.00 0.00 H ATOM 781 HD12 LEU A 51 24.337 -7.496 26.162 1.00 0.00 H ATOM 782 HD13 LEU A 51 24.637 -8.254 24.579 1.00 0.00 H ATOM 783 H LEU A 51 20.141 -6.194 27.484 1.00 0.00 H ATOM 784 N ALA A 52 19.439 -6.473 24.278 1.00 16.87 N ATOM 785 CA ALA A 52 18.691 -6.453 23.021 1.00 17.01 C ATOM 786 C ALA A 52 18.827 -5.109 22.327 1.00 15.73 C ATOM 787 O ALA A 52 18.969 -5.047 21.102 1.00 17.61 O ATOM 788 CB ALA A 52 17.212 -6.762 23.275 1.00 16.27 C ATOM 789 HA ALA A 52 19.109 -7.221 22.370 1.00 0.00 H ATOM 790 HB1 ALA A 52 17.121 -7.749 23.727 1.00 0.00 H ATOM 791 HB2 ALA A 52 16.796 -6.013 23.948 1.00 0.00 H ATOM 792 HB3 ALA A 52 16.671 -6.743 22.329 1.00 0.00 H ATOM 793 H ALA A 52 18.916 -6.609 25.167 1.00 0.00 H ATOM 794 N ASP A 53 18.796 -4.032 23.101 1.00 15.04 N ATOM 795 CA ASP A 53 18.927 -2.706 22.522 1.00 16.01 C ATOM 796 C ASP A 53 20.299 -2.430 21.922 1.00 16.06 C ATOM 797 O ASP A 53 20.417 -1.812 20.857 1.00 15.15 O ATOM 798 CB ASP A 53 18.577 -1.633 23.539 1.00 17.11 C ATOM 799 CG ASP A 53 17.091 -1.516 23.745 1.00 19.48 C ATOM 800 OD1 ASP A 53 16.365 -2.399 23.243 1.00 22.96 O ATOM 801 OD2 ASP A 53 16.647 -0.550 24.393 1.00 20.87 O ATOM 802 HA ASP A 53 18.216 -2.675 21.696 1.00 0.00 H ATOM 803 HB2 ASP A 53 19.046 -1.883 24.491 1.00 0.00 H ATOM 804 HB3 ASP A 53 18.960 -0.675 23.187 1.00 0.00 H ATOM 805 H ASP A 53 18.677 -4.138 24.129 1.00 0.00 H ATOM 806 N VAL A 54 21.332 -2.896 22.604 1.00 14.69 N ATOM 807 CA VAL A 54 22.678 -2.686 22.126 1.00 14.08 C ATOM 808 C VAL A 54 22.956 -3.573 20.913 1.00 13.74 C ATOM 809 O VAL A 54 23.609 -3.134 19.969 1.00 12.86 O ATOM 810 CB VAL A 54 23.702 -2.906 23.261 1.00 14.43 C ATOM 811 CG1 VAL A 54 25.140 -2.800 22.714 1.00 15.08 C ATOM 812 CG2 VAL A 54 23.470 -1.870 24.359 1.00 12.35 C ATOM 813 HA VAL A 54 22.782 -1.651 21.801 1.00 0.00 H ATOM 814 HB VAL A 54 23.570 -3.905 23.677 1.00 0.00 H ATOM 815 HG11 VAL A 54 25.292 -3.558 21.946 1.00 0.00 H ATOM 816 HG12 VAL A 54 25.292 -1.810 22.284 1.00 0.00 H ATOM 817 HG13 VAL A 54 25.849 -2.958 23.527 1.00 0.00 H ATOM 818 HG21 VAL A 54 23.593 -0.869 23.945 1.00 0.00 H ATOM 819 HG22 VAL A 54 22.459 -1.980 24.752 1.00 0.00 H ATOM 820 HG23 VAL A 54 24.192 -2.024 25.161 1.00 0.00 H ATOM 821 H VAL A 54 21.174 -3.417 23.490 1.00 0.00 H ATOM 822 N GLN A 55 22.417 -4.794 20.909 1.00 14.34 N ATOM 823 CA GLN A 55 22.621 -5.714 19.781 1.00 14.90 C ATOM 824 C GLN A 55 21.965 -5.192 18.498 1.00 13.43 C ATOM 825 O GLN A 55 22.494 -5.374 17.391 1.00 15.21 O ATOM 826 CB GLN A 55 22.105 -7.113 20.108 1.00 14.90 C ATOM 827 CG GLN A 55 22.996 -7.889 21.070 1.00 18.72 C ATOM 828 CD GLN A 55 22.350 -9.184 21.530 1.00 20.02 C ATOM 829 OE1 GLN A 55 21.122 -9.282 21.613 1.00 24.60 O ATOM 830 NE2 GLN A 55 23.168 -10.181 21.826 1.00 20.29 N ATOM 831 HA GLN A 55 23.696 -5.773 19.609 1.00 0.00 H ATOM 832 HB2 GLN A 55 21.116 -7.019 20.556 1.00 0.00 H ATOM 833 HB3 GLN A 55 22.029 -7.677 19.179 1.00 0.00 H ATOM 834 HG2 GLN A 55 23.935 -8.123 20.568 1.00 0.00 H ATOM 835 HG3 GLN A 55 23.197 -7.267 21.942 1.00 0.00 H ATOM 836 HE22 GLN A 55 24.197 -10.052 21.741 1.00 0.00 H ATOM 837 HE21 GLN A 55 22.782 -11.093 22.144 1.00 0.00 H ATOM 838 H GLN A 55 21.842 -5.100 21.719 1.00 0.00 H ATOM 839 N ALA A 56 20.858 -4.485 18.662 1.00 12.96 N ATOM 840 CA ALA A 56 20.124 -3.903 17.544 1.00 13.70 C ATOM 841 C ALA A 56 20.928 -2.836 16.802 1.00 14.29 C ATOM 842 O ALA A 56 20.630 -2.526 15.644 1.00 15.04 O ATOM 843 CB ALA A 56 18.827 -3.305 18.034 1.00 13.30 C ATOM 844 HA ALA A 56 19.926 -4.711 16.840 1.00 0.00 H ATOM 845 HB1 ALA A 56 18.221 -4.084 18.495 1.00 0.00 H ATOM 846 HB2 ALA A 56 19.041 -2.527 18.767 1.00 0.00 H ATOM 847 HB3 ALA A 56 18.286 -2.873 17.192 1.00 0.00 H ATOM 848 H ALA A 56 20.497 -4.339 19.626 1.00 0.00 H ATOM 849 N VAL A 57 21.929 -2.261 17.468 1.00 13.00 N ATOM 850 CA VAL A 57 22.753 -1.233 16.843 1.00 12.11 C ATOM 851 C VAL A 57 23.483 -1.800 15.615 1.00 11.36 C ATOM 852 O VAL A 57 23.715 -1.078 14.648 1.00 10.01 O ATOM 853 CB VAL A 57 23.739 -0.574 17.861 1.00 11.03 C ATOM 854 CG1 VAL A 57 24.694 0.409 17.160 1.00 10.32 C ATOM 855 CG2 VAL A 57 22.939 0.185 18.927 1.00 11.23 C ATOM 856 HA VAL A 57 22.093 -0.437 16.500 1.00 0.00 H ATOM 857 HB VAL A 57 24.331 -1.366 18.319 1.00 0.00 H ATOM 858 HG11 VAL A 57 25.276 -0.125 16.409 1.00 0.00 H ATOM 859 HG12 VAL A 57 24.114 1.197 16.679 1.00 0.00 H ATOM 860 HG13 VAL A 57 25.366 0.849 17.897 1.00 0.00 H ATOM 861 HG21 VAL A 57 22.339 0.959 18.447 1.00 0.00 H ATOM 862 HG22 VAL A 57 22.284 -0.511 19.452 1.00 0.00 H ATOM 863 HG23 VAL A 57 23.627 0.645 19.637 1.00 0.00 H ATOM 864 H VAL A 57 22.125 -2.550 18.448 1.00 0.00 H ATOM 865 N CYS A 58 23.735 -3.109 15.601 1.00 11.35 N ATOM 866 CA CYS A 58 24.419 -3.708 14.463 1.00 13.59 C ATOM 867 C CYS A 58 23.635 -3.581 13.164 1.00 13.30 C ATOM 868 O CYS A 58 24.190 -3.815 12.100 1.00 13.70 O ATOM 869 CB CYS A 58 24.808 -5.167 14.730 1.00 13.44 C ATOM 870 SG CYS A 58 26.026 -5.353 16.053 1.00 10.38 S ATOM 871 HA CYS A 58 25.337 -3.134 14.335 1.00 0.00 H ATOM 872 HB2 CYS A 58 25.225 -5.587 13.815 1.00 0.00 H ATOM 873 HB3 CYS A 58 23.910 -5.720 15.006 1.00 0.00 H ATOM 874 H CYS A 58 23.443 -3.703 16.403 1.00 0.00 H ATOM 875 N SER A 59 22.357 -3.210 13.251 1.00 14.31 N ATOM 876 CA SER A 59 21.552 -3.025 12.046 1.00 14.77 C ATOM 877 C SER A 59 21.129 -1.572 11.858 1.00 13.65 C ATOM 878 O SER A 59 20.232 -1.281 11.077 1.00 14.75 O ATOM 879 CB SER A 59 20.344 -3.960 12.038 1.00 17.27 C ATOM 880 OG SER A 59 19.508 -3.730 13.151 1.00 24.77 O ATOM 881 HA SER A 59 22.183 -3.286 11.196 1.00 0.00 H ATOM 882 HB2 SER A 59 20.694 -4.992 12.064 1.00 0.00 H ATOM 883 HB3 SER A 59 19.773 -3.794 11.125 1.00 0.00 H ATOM 884 HG SER A 59 20.020 -3.884 13.984 1.00 0.00 H ATOM 885 H SER A 59 21.929 -3.051 14.186 1.00 0.00 H ATOM 886 N GLN A 60 21.817 -0.656 12.541 1.00 12.69 N ATOM 887 CA GLN A 60 21.518 0.765 12.449 1.00 10.64 C ATOM 888 C GLN A 60 22.435 1.533 11.497 1.00 12.33 C ATOM 889 O GLN A 60 22.726 1.025 10.416 1.00 13.75 O ATOM 890 CB GLN A 60 21.404 1.378 13.850 1.00 10.08 C ATOM 891 CG GLN A 60 20.240 0.696 14.577 1.00 10.06 C ATOM 892 CD GLN A 60 19.936 1.207 15.956 1.00 10.50 C ATOM 893 OE1 GLN A 60 20.291 2.314 16.316 1.00 13.82 O ATOM 894 NE2 GLN A 60 19.217 0.404 16.727 1.00 13.46 N ATOM 895 HA GLN A 60 20.541 0.865 11.976 1.00 0.00 H ATOM 896 HB2 GLN A 60 22.330 1.215 14.401 1.00 0.00 H ATOM 897 HB3 GLN A 60 21.214 2.448 13.771 1.00 0.00 H ATOM 898 HG2 GLN A 60 19.345 0.825 13.968 1.00 0.00 H ATOM 899 HG3 GLN A 60 20.473 -0.366 14.658 1.00 0.00 H ATOM 900 HE22 GLN A 60 18.935 -0.535 16.380 1.00 0.00 H ATOM 901 HE21 GLN A 60 18.935 0.713 17.679 1.00 0.00 H ATOM 902 H GLN A 60 22.593 -0.968 13.160 1.00 0.00 H ATOM 903 N LYS A 61 22.921 2.714 11.876 1.00 11.48 N ATOM 904 CA LYS A 61 23.732 3.508 10.956 1.00 12.07 C ATOM 905 C LYS A 61 25.182 3.073 10.697 1.00 12.99 C ATOM 906 O LYS A 61 26.043 3.251 11.547 1.00 13.13 O ATOM 907 CB LYS A 61 23.702 4.966 11.379 1.00 12.25 C ATOM 908 CG LYS A 61 24.299 5.883 10.336 1.00 18.10 C ATOM 909 CD LYS A 61 24.409 7.282 10.858 1.00 21.88 C ATOM 910 CE LYS A 61 24.923 8.209 9.789 1.00 24.40 C ATOM 911 NZ LYS A 61 24.992 9.565 10.376 1.00 30.88 N ATOM 912 HA LYS A 61 23.251 3.334 9.993 1.00 0.00 H ATOM 913 HB2 LYS A 61 22.666 5.259 11.551 1.00 0.00 H ATOM 914 HB3 LYS A 61 24.268 5.074 12.305 1.00 0.00 H ATOM 915 HG2 LYS A 61 25.292 5.522 10.069 1.00 0.00 H ATOM 916 HG3 LYS A 61 23.663 5.880 9.451 1.00 0.00 H ATOM 917 HD2 LYS A 61 23.426 7.621 11.184 1.00 0.00 H ATOM 918 HD3 LYS A 61 25.096 7.296 11.704 1.00 0.00 H ATOM 919 HE2 LYS A 61 24.245 8.206 8.935 1.00 0.00 H ATOM 920 HE3 LYS A 61 25.914 7.892 9.465 1.00 0.00 H ATOM 921 HZ1 LYS A 61 24.043 9.856 10.686 1.00 0.00 H ATOM 922 HZ2 LYS A 61 25.637 9.556 11.192 1.00 0.00 H ATOM 923 HZ3 LYS A 61 25.345 10.233 9.661 1.00 0.00 H ATOM 924 H LYS A 61 22.722 3.073 12.832 1.00 0.00 H ATOM 925 N ASN A 62 25.470 2.568 9.499 1.00 13.29 N ATOM 926 CA ASN A 62 26.835 2.148 9.197 1.00 13.64 C ATOM 927 C ASN A 62 27.765 3.345 9.026 1.00 12.96 C ATOM 928 O ASN A 62 27.452 4.293 8.308 1.00 13.84 O ATOM 929 CB ASN A 62 26.878 1.273 7.950 1.00 15.47 C ATOM 930 CG ASN A 62 28.281 0.794 7.625 1.00 17.65 C ATOM 931 OD1 ASN A 62 28.792 1.051 6.537 1.00 23.19 O ATOM 932 ND2 ASN A 62 28.918 0.125 8.569 1.00 15.83 N ATOM 933 HA ASN A 62 27.184 1.562 10.047 1.00 0.00 H ATOM 934 HB2 ASN A 62 26.240 0.404 8.110 1.00 0.00 H ATOM 935 HB3 ASN A 62 26.500 1.849 7.105 1.00 0.00 H ATOM 936 HD22 ASN A 62 28.447 -0.071 9.476 1.00 0.00 H ATOM 937 HD21 ASN A 62 29.890 -0.206 8.406 1.00 0.00 H ATOM 938 H ASN A 62 24.724 2.473 8.780 1.00 0.00 H ATOM 939 N VAL A 63 28.871 3.333 9.756 1.00 11.10 N ATOM 940 CA VAL A 63 29.854 4.409 9.698 1.00 11.29 C ATOM 941 C VAL A 63 31.258 3.782 9.697 1.00 11.04 C ATOM 942 O VAL A 63 31.420 2.613 10.028 1.00 10.73 O ATOM 943 CB VAL A 63 29.735 5.366 10.928 1.00 10.96 C ATOM 944 CG1 VAL A 63 28.397 6.117 10.924 1.00 11.79 C ATOM 945 CG2 VAL A 63 29.906 4.577 12.233 1.00 11.84 C ATOM 946 HA VAL A 63 29.676 4.992 8.795 1.00 0.00 H ATOM 947 HB VAL A 63 30.531 6.107 10.857 1.00 0.00 H ATOM 948 HG11 VAL A 63 28.318 6.711 10.013 1.00 0.00 H ATOM 949 HG12 VAL A 63 27.578 5.398 10.963 1.00 0.00 H ATOM 950 HG13 VAL A 63 28.348 6.773 11.793 1.00 0.00 H ATOM 951 HG21 VAL A 63 29.131 3.813 12.299 1.00 0.00 H ATOM 952 HG22 VAL A 63 30.887 4.103 12.243 1.00 0.00 H ATOM 953 HG23 VAL A 63 29.821 5.257 13.081 1.00 0.00 H ATOM 954 H VAL A 63 29.044 2.529 10.392 1.00 0.00 H ATOM 955 N ALA A 64 32.267 4.554 9.310 1.00 11.60 N ATOM 956 CA ALA A 64 33.641 4.051 9.300 1.00 11.66 C ATOM 957 C ALA A 64 34.191 3.929 10.728 1.00 11.98 C ATOM 958 O ALA A 64 33.926 4.784 11.588 1.00 11.51 O ATOM 959 CB ALA A 64 34.532 4.979 8.487 1.00 11.33 C ATOM 960 HA ALA A 64 33.636 3.061 8.844 1.00 0.00 H ATOM 961 HB1 ALA A 64 34.162 5.031 7.463 1.00 0.00 H ATOM 962 HB2 ALA A 64 34.518 5.975 8.931 1.00 0.00 H ATOM 963 HB3 ALA A 64 35.552 4.594 8.487 1.00 0.00 H ATOM 964 H ALA A 64 32.078 5.531 9.009 1.00 0.00 H ATOM 965 N CYS A 65 34.917 2.853 10.999 1.00 11.12 N ATOM 966 CA CYS A 65 35.517 2.683 12.317 1.00 12.92 C ATOM 967 C CYS A 65 36.753 3.555 12.397 1.00 12.42 C ATOM 968 O CYS A 65 37.356 3.867 11.371 1.00 11.29 O ATOM 969 CB CYS A 65 35.985 1.249 12.529 1.00 13.91 C ATOM 970 SG CYS A 65 34.685 0.005 12.422 1.00 14.74 S ATOM 971 HA CYS A 65 34.769 2.945 13.065 1.00 0.00 H ATOM 972 HB2 CYS A 65 36.437 1.183 13.518 1.00 0.00 H ATOM 973 HB3 CYS A 65 36.735 1.022 11.772 1.00 0.00 H ATOM 974 H CYS A 65 35.059 2.127 10.268 1.00 0.00 H ATOM 975 N LYS A 66 37.171 3.862 13.619 1.00 11.77 N ATOM 976 CA LYS A 66 38.374 4.659 13.847 1.00 14.33 C ATOM 977 C LYS A 66 39.603 4.005 13.193 1.00 14.71 C ATOM 978 O LYS A 66 40.519 4.691 12.748 1.00 15.63 O ATOM 979 CB LYS A 66 38.624 4.836 15.353 1.00 15.08 C ATOM 980 CG LYS A 66 37.778 5.889 16.025 1.00 17.67 C ATOM 981 CD LYS A 66 38.150 5.992 17.498 1.00 24.38 C ATOM 982 CE LYS A 66 37.450 7.156 18.207 1.00 26.33 C ATOM 983 NZ LYS A 66 37.669 7.117 19.688 1.00 28.67 N ATOM 984 HA LYS A 66 38.216 5.637 13.391 1.00 0.00 H ATOM 985 HB2 LYS A 66 38.427 3.882 15.842 1.00 0.00 H ATOM 986 HB3 LYS A 66 39.671 5.105 15.492 1.00 0.00 H ATOM 987 HG2 LYS A 66 37.947 6.851 15.541 1.00 0.00 H ATOM 988 HG3 LYS A 66 36.726 5.619 15.936 1.00 0.00 H ATOM 989 HD2 LYS A 66 37.870 5.063 17.994 1.00 0.00 H ATOM 990 HD3 LYS A 66 39.228 6.134 17.576 1.00 0.00 H ATOM 991 HE2 LYS A 66 36.380 7.100 18.007 1.00 0.00 H ATOM 992 HE3 LYS A 66 37.843 8.095 17.816 1.00 0.00 H ATOM 993 HZ1 LYS A 66 37.291 6.226 20.070 1.00 0.00 H ATOM 994 HZ2 LYS A 66 38.688 7.177 19.888 1.00 0.00 H ATOM 995 HZ3 LYS A 66 37.180 7.921 20.131 1.00 0.00 H ATOM 996 H LYS A 66 36.626 3.525 14.438 1.00 0.00 H ATOM 997 N ASN A 67 39.613 2.678 13.140 1.00 15.91 N ATOM 998 CA ASN A 67 40.724 1.942 12.551 1.00 17.67 C ATOM 999 C ASN A 67 40.664 1.811 11.029 1.00 18.03 C ATOM 1000 O ASN A 67 41.534 1.174 10.430 1.00 20.90 O ATOM 1001 CB ASN A 67 40.852 0.558 13.198 1.00 17.65 C ATOM 1002 CG ASN A 67 39.768 -0.428 12.741 1.00 19.39 C ATOM 1003 OD1 ASN A 67 38.786 -0.064 12.084 1.00 19.12 O ATOM 1004 ND2 ASN A 67 39.952 -1.696 13.100 1.00 23.39 N ATOM 1005 HA ASN A 67 41.612 2.539 12.760 1.00 0.00 H ATOM 1006 HB2 ASN A 67 41.827 0.144 12.941 1.00 0.00 H ATOM 1007 HB3 ASN A 67 40.781 0.673 14.280 1.00 0.00 H ATOM 1008 HD22 ASN A 67 40.791 -1.963 13.653 1.00 0.00 H ATOM 1009 HD21 ASN A 67 39.257 -2.420 12.828 1.00 0.00 H ATOM 1010 H ASN A 67 38.806 2.150 13.529 1.00 0.00 H ATOM 1011 N GLY A 68 39.644 2.392 10.404 1.00 17.03 N ATOM 1012 CA GLY A 68 39.527 2.306 8.967 1.00 15.71 C ATOM 1013 C GLY A 68 38.598 1.211 8.480 1.00 17.69 C ATOM 1014 O GLY A 68 38.215 1.221 7.312 1.00 19.75 O ATOM 1015 HA3 GLY A 68 40.519 2.121 8.554 1.00 0.00 H ATOM 1016 HA2 GLY A 68 39.153 3.261 8.597 1.00 0.00 H ATOM 1017 H GLY A 68 38.928 2.910 10.952 1.00 0.00 H ATOM 1018 N GLN A 69 38.267 0.237 9.320 1.00 17.77 N ATOM 1019 CA GLN A 69 37.349 -0.816 8.894 1.00 18.28 C ATOM 1020 C GLN A 69 35.958 -0.212 8.705 1.00 17.54 C ATOM 1021 O GLN A 69 35.674 0.867 9.225 1.00 16.20 O ATOM 1022 CB GLN A 69 37.306 -1.967 9.901 1.00 21.39 C ATOM 1023 CG GLN A 69 38.432 -2.981 9.734 1.00 28.65 C ATOM 1024 CD GLN A 69 38.231 -4.234 10.594 1.00 32.66 C ATOM 1025 OE1 GLN A 69 38.992 -4.478 11.535 1.00 36.14 O ATOM 1026 NE2 GLN A 69 37.204 -5.030 10.272 1.00 36.08 N ATOM 1027 HA GLN A 69 37.703 -1.232 7.950 1.00 0.00 H ATOM 1028 HB2 GLN A 69 37.369 -1.547 10.905 1.00 0.00 H ATOM 1029 HB3 GLN A 69 36.356 -2.488 9.786 1.00 0.00 H ATOM 1030 HG2 GLN A 69 38.480 -3.280 8.687 1.00 0.00 H ATOM 1031 HG3 GLN A 69 39.372 -2.509 10.019 1.00 0.00 H ATOM 1032 HE22 GLN A 69 36.588 -4.785 9.471 1.00 0.00 H ATOM 1033 HE21 GLN A 69 37.022 -5.893 10.823 1.00 0.00 H ATOM 1034 H GLN A 69 38.662 0.224 10.282 1.00 0.00 H ATOM 1035 N THR A 70 35.105 -0.895 7.951 1.00 16.34 N ATOM 1036 CA THR A 70 33.762 -0.398 7.680 1.00 17.62 C ATOM 1037 C THR A 70 32.626 -1.096 8.451 1.00 15.31 C ATOM 1038 O THR A 70 31.460 -0.789 8.240 1.00 17.56 O ATOM 1039 CB THR A 70 33.476 -0.425 6.157 1.00 18.83 C ATOM 1040 OG1 THR A 70 33.691 -1.747 5.661 1.00 22.69 O ATOM 1041 CG2 THR A 70 34.412 0.524 5.418 1.00 20.92 C ATOM 1042 HA THR A 70 33.763 0.626 8.054 1.00 0.00 H ATOM 1043 HB THR A 70 32.444 -0.115 5.993 1.00 0.00 H ATOM 1044 HG1 THR A 70 33.509 -1.767 4.688 1.00 0.00 H ATOM 1045 HG23 THR A 70 34.261 1.539 5.784 1.00 0.00 H ATOM 1046 HG21 THR A 70 35.445 0.223 5.593 1.00 0.00 H ATOM 1047 HG22 THR A 70 34.197 0.486 4.350 1.00 0.00 H ATOM 1048 H THR A 70 35.402 -1.805 7.545 1.00 0.00 H ATOM 1049 N ASN A 71 32.971 -1.985 9.379 1.00 12.75 N ATOM 1050 CA ASN A 71 31.974 -2.723 10.179 1.00 12.04 C ATOM 1051 C ASN A 71 31.491 -2.032 11.475 1.00 11.18 C ATOM 1052 O ASN A 71 31.152 -2.706 12.441 1.00 10.92 O ATOM 1053 CB ASN A 71 32.469 -4.154 10.497 1.00 11.92 C ATOM 1054 CG ASN A 71 33.719 -4.179 11.400 1.00 13.31 C ATOM 1055 OD1 ASN A 71 34.676 -3.434 11.181 1.00 14.93 O ATOM 1056 ND2 ASN A 71 33.727 -5.068 12.382 1.00 14.60 N ATOM 1057 HA ASN A 71 31.096 -2.751 9.534 1.00 0.00 H ATOM 1058 HB2 ASN A 71 31.667 -4.694 11.000 1.00 0.00 H ATOM 1059 HB3 ASN A 71 32.709 -4.654 9.559 1.00 0.00 H ATOM 1060 HD22 ASN A 71 32.900 -5.680 12.536 1.00 0.00 H ATOM 1061 HD21 ASN A 71 34.560 -5.154 12.999 1.00 0.00 H ATOM 1062 H ASN A 71 33.981 -2.167 9.547 1.00 0.00 H ATOM 1063 N CYS A 72 31.452 -0.700 11.487 1.00 11.26 N ATOM 1064 CA CYS A 72 30.985 0.057 12.652 1.00 10.12 C ATOM 1065 C CYS A 72 29.594 0.614 12.418 1.00 9.76 C ATOM 1066 O CYS A 72 29.202 0.895 11.271 1.00 9.17 O ATOM 1067 CB CYS A 72 31.968 1.163 13.049 1.00 11.19 C ATOM 1068 SG CYS A 72 33.411 0.479 13.928 1.00 12.46 S ATOM 1069 HA CYS A 72 30.933 -0.638 13.490 1.00 0.00 H ATOM 1070 HB2 CYS A 72 31.459 1.874 13.700 1.00 0.00 H ATOM 1071 HB3 CYS A 72 32.309 1.675 12.149 1.00 0.00 H ATOM 1072 H CYS A 72 31.763 -0.180 10.642 1.00 0.00 H ATOM 1073 N TYR A 73 28.834 0.729 13.501 1.00 9.06 N ATOM 1074 CA TYR A 73 27.456 1.204 13.421 1.00 9.47 C ATOM 1075 C TYR A 73 27.167 2.145 14.569 1.00 11.17 C ATOM 1076 O TYR A 73 27.596 1.914 15.706 1.00 10.80 O ATOM 1077 CB TYR A 73 26.474 0.016 13.469 1.00 8.98 C ATOM 1078 CG TYR A 73 26.717 -0.994 12.381 1.00 9.77 C ATOM 1079 CD1 TYR A 73 27.645 -2.011 12.553 1.00 10.73 C ATOM 1080 CD2 TYR A 73 26.094 -0.873 11.139 1.00 11.97 C ATOM 1081 CE1 TYR A 73 27.962 -2.877 11.524 1.00 10.67 C ATOM 1082 CE2 TYR A 73 26.410 -1.737 10.092 1.00 13.03 C ATOM 1083 CZ TYR A 73 27.348 -2.735 10.289 1.00 13.97 C ATOM 1084 OH TYR A 73 27.705 -3.576 9.251 1.00 16.15 O ATOM 1085 HA TYR A 73 27.326 1.733 12.477 1.00 0.00 H ATOM 1086 HB3 TYR A 73 25.459 0.400 13.366 1.00 0.00 H ATOM 1087 HB2 TYR A 73 26.577 -0.481 14.434 1.00 0.00 H ATOM 1088 HD2 TYR A 73 25.350 -0.092 10.985 1.00 0.00 H ATOM 1089 HE2 TYR A 73 25.921 -1.627 9.124 1.00 0.00 H ATOM 1090 HE1 TYR A 73 28.693 -3.670 11.683 1.00 0.00 H ATOM 1091 HD1 TYR A 73 28.134 -2.129 13.520 1.00 0.00 H ATOM 1092 HH TYR A 73 28.382 -4.223 9.570 1.00 0.00 H ATOM 1093 H TYR A 73 29.230 0.475 14.428 1.00 0.00 H ATOM 1094 N GLN A 74 26.422 3.201 14.261 1.00 11.28 N ATOM 1095 CA GLN A 74 26.055 4.218 15.232 1.00 11.75 C ATOM 1096 C GLN A 74 24.567 4.099 15.589 1.00 12.00 C ATOM 1097 O GLN A 74 23.723 3.882 14.713 1.00 9.96 O ATOM 1098 CB GLN A 74 26.361 5.586 14.640 1.00 11.96 C ATOM 1099 CG GLN A 74 26.145 6.745 15.556 1.00 14.37 C ATOM 1100 CD GLN A 74 26.480 8.035 14.862 1.00 17.42 C ATOM 1101 OE1 GLN A 74 27.555 8.180 14.281 1.00 21.28 O ATOM 1102 NE2 GLN A 74 25.553 8.971 14.886 1.00 19.67 N ATOM 1103 HA GLN A 74 26.629 4.083 16.149 1.00 0.00 H ATOM 1104 HB2 GLN A 74 27.406 5.592 14.330 1.00 0.00 H ATOM 1105 HB3 GLN A 74 25.724 5.725 13.767 1.00 0.00 H ATOM 1106 HG2 GLN A 74 25.101 6.766 15.868 1.00 0.00 H ATOM 1107 HG3 GLN A 74 26.783 6.633 16.433 1.00 0.00 H ATOM 1108 HE22 GLN A 74 24.659 8.804 15.390 1.00 0.00 H ATOM 1109 HE21 GLN A 74 25.716 9.876 14.401 1.00 0.00 H ATOM 1110 H GLN A 74 26.087 3.304 13.282 1.00 0.00 H ATOM 1111 N SER A 75 24.249 4.196 16.875 1.00 11.65 N ATOM 1112 CA SER A 75 22.856 4.095 17.294 1.00 12.71 C ATOM 1113 C SER A 75 22.061 5.340 16.869 1.00 11.80 C ATOM 1114 O SER A 75 22.575 6.459 16.923 1.00 11.70 O ATOM 1115 CB SER A 75 22.762 3.883 18.814 1.00 11.00 C ATOM 1116 OG SER A 75 23.240 5.015 19.521 1.00 12.55 O ATOM 1117 HA SER A 75 22.416 3.230 16.798 1.00 0.00 H ATOM 1118 HB2 SER A 75 23.359 3.014 19.089 1.00 0.00 H ATOM 1119 HB3 SER A 75 21.721 3.708 19.085 1.00 0.00 H ATOM 1120 HG SER A 75 22.698 5.807 19.278 1.00 0.00 H ATOM 1121 H SER A 75 24.995 4.344 17.584 1.00 0.00 H ATOM 1122 N TYR A 76 20.818 5.138 16.431 1.00 11.78 N ATOM 1123 CA TYR A 76 19.958 6.249 16.022 1.00 12.99 C ATOM 1124 C TYR A 76 19.544 7.082 17.227 1.00 13.60 C ATOM 1125 O TYR A 76 19.470 8.306 17.154 1.00 15.50 O ATOM 1126 CB TYR A 76 18.729 5.739 15.263 1.00 12.90 C ATOM 1127 CG TYR A 76 19.063 5.167 13.899 1.00 11.43 C ATOM 1128 CD1 TYR A 76 19.706 5.940 12.933 1.00 10.89 C ATOM 1129 CD2 TYR A 76 18.729 3.859 13.574 1.00 11.48 C ATOM 1130 CE1 TYR A 76 20.002 5.420 11.684 1.00 9.46 C ATOM 1131 CE2 TYR A 76 19.022 3.335 12.325 1.00 10.27 C ATOM 1132 CZ TYR A 76 19.656 4.123 11.389 1.00 9.12 C ATOM 1133 OH TYR A 76 19.946 3.605 10.152 1.00 13.07 O ATOM 1134 HA TYR A 76 20.528 6.888 15.347 1.00 0.00 H ATOM 1135 HB3 TYR A 76 18.035 6.569 15.130 1.00 0.00 H ATOM 1136 HB2 TYR A 76 18.253 4.960 15.858 1.00 0.00 H ATOM 1137 HD2 TYR A 76 18.228 3.234 14.313 1.00 0.00 H ATOM 1138 HE2 TYR A 76 18.753 2.306 12.085 1.00 0.00 H ATOM 1139 HE1 TYR A 76 20.506 6.036 10.939 1.00 0.00 H ATOM 1140 HD1 TYR A 76 19.980 6.969 13.164 1.00 0.00 H ATOM 1141 HH TYR A 76 19.107 3.326 9.707 1.00 0.00 H ATOM 1142 H TYR A 76 20.450 4.167 16.379 1.00 0.00 H ATOM 1143 N SER A 77 19.329 6.427 18.358 1.00 16.56 N ATOM 1144 CA SER A 77 18.969 7.152 19.576 1.00 18.57 C ATOM 1145 C SER A 77 20.147 7.219 20.565 1.00 18.42 C ATOM 1146 O SER A 77 21.144 6.488 20.437 1.00 16.84 O ATOM 1147 CB SER A 77 17.741 6.520 20.240 1.00 20.76 C ATOM 1148 OG SER A 77 17.955 5.141 20.484 1.00 26.80 O ATOM 1149 HA SER A 77 18.721 8.174 19.289 1.00 0.00 H ATOM 1150 HB2 SER A 77 16.879 6.637 19.583 1.00 0.00 H ATOM 1151 HB3 SER A 77 17.547 7.025 21.186 1.00 0.00 H ATOM 1152 HG SER A 77 18.128 4.678 19.626 1.00 0.00 H ATOM 1153 H SER A 77 19.417 5.391 18.380 1.00 0.00 H ATOM 1154 N THR A 78 20.077 8.187 21.468 1.00 18.02 N ATOM 1155 CA THR A 78 21.087 8.355 22.494 1.00 18.44 C ATOM 1156 C THR A 78 20.875 7.253 23.538 1.00 18.33 C ATOM 1157 O THR A 78 19.750 6.779 23.760 1.00 17.22 O ATOM 1158 CB THR A 78 20.965 9.739 23.182 1.00 18.55 C ATOM 1159 OG1 THR A 78 19.593 9.988 23.527 1.00 21.69 O ATOM 1160 CG2 THR A 78 21.442 10.834 22.264 1.00 19.32 C ATOM 1161 HA THR A 78 22.077 8.292 22.042 1.00 0.00 H ATOM 1162 HB THR A 78 21.583 9.731 24.080 1.00 0.00 H ATOM 1163 HG1 THR A 78 19.277 9.284 24.147 1.00 0.00 H ATOM 1164 HG23 THR A 78 22.483 10.654 21.996 1.00 0.00 H ATOM 1165 HG21 THR A 78 20.830 10.843 21.362 1.00 0.00 H ATOM 1166 HG22 THR A 78 21.357 11.795 22.772 1.00 0.00 H ATOM 1167 H THR A 78 19.273 8.846 21.439 1.00 0.00 H ATOM 1168 N MET A 79 21.961 6.846 24.173 1.00 16.48 N ATOM 1169 CA MET A 79 21.904 5.820 25.190 1.00 15.64 C ATOM 1170 C MET A 79 22.601 6.329 26.445 1.00 14.54 C ATOM 1171 O MET A 79 23.425 7.250 26.384 1.00 14.04 O ATOM 1172 CB MET A 79 22.576 4.538 24.683 1.00 15.70 C ATOM 1173 CG MET A 79 21.837 3.859 23.539 1.00 16.37 C ATOM 1174 SD MET A 79 22.532 2.280 23.161 1.00 17.67 S ATOM 1175 CE MET A 79 21.294 1.559 22.119 1.00 19.36 C ATOM 1176 HA MET A 79 20.865 5.589 25.423 1.00 0.00 H ATOM 1177 HB2 MET A 79 23.580 4.790 24.341 1.00 0.00 H ATOM 1178 HB3 MET A 79 22.642 3.835 25.513 1.00 0.00 H ATOM 1179 HG2 MET A 79 21.896 4.493 22.654 1.00 0.00 H ATOM 1180 HG3 MET A 79 20.792 3.727 23.821 1.00 0.00 H ATOM 1181 HE1 MET A 79 20.355 1.489 22.668 1.00 0.00 H ATOM 1182 HE2 MET A 79 21.155 2.184 21.237 1.00 0.00 H ATOM 1183 HE3 MET A 79 21.613 0.563 21.814 1.00 0.00 H ATOM 1184 H MET A 79 22.878 7.274 23.935 1.00 0.00 H ATOM 1185 N SER A 80 22.217 5.769 27.586 1.00 15.36 N ATOM 1186 CA SER A 80 22.828 6.138 28.867 1.00 15.75 C ATOM 1187 C SER A 80 24.166 5.391 28.957 1.00 14.43 C ATOM 1188 O SER A 80 24.212 4.162 28.848 1.00 14.02 O ATOM 1189 CB SER A 80 21.915 5.736 30.041 1.00 16.66 C ATOM 1190 OG SER A 80 22.532 5.987 31.301 1.00 19.36 O ATOM 1191 HA SER A 80 22.977 7.216 28.924 1.00 0.00 H ATOM 1192 HB2 SER A 80 21.689 4.673 29.964 1.00 0.00 H ATOM 1193 HB3 SER A 80 20.989 6.309 29.981 1.00 0.00 H ATOM 1194 HG SER A 80 21.917 5.717 32.028 1.00 0.00 H ATOM 1195 H SER A 80 21.465 5.051 27.571 1.00 0.00 H ATOM 1196 N ILE A 81 25.247 6.131 29.145 1.00 15.52 N ATOM 1197 CA ILE A 81 26.564 5.523 29.228 1.00 17.66 C ATOM 1198 C ILE A 81 27.362 6.141 30.356 1.00 18.23 C ATOM 1199 O ILE A 81 27.066 7.245 30.812 1.00 18.91 O ATOM 1200 CB ILE A 81 27.396 5.717 27.920 1.00 17.98 C ATOM 1201 CG1 ILE A 81 27.660 7.207 27.669 1.00 18.77 C ATOM 1202 CG2 ILE A 81 26.698 5.055 26.722 1.00 17.19 C ATOM 1203 CD1 ILE A 81 28.822 7.477 26.751 1.00 20.54 C ATOM 1204 HA ILE A 81 26.393 4.460 29.395 1.00 0.00 H ATOM 1205 HB ILE A 81 28.360 5.224 28.046 1.00 0.00 H ATOM 1206 HG12 ILE A 81 26.765 7.644 27.227 1.00 0.00 H ATOM 1207 HG13 ILE A 81 27.861 7.686 28.627 1.00 0.00 H ATOM 1208 HD11 ILE A 81 29.730 7.057 27.183 1.00 0.00 H ATOM 1209 HD12 ILE A 81 28.633 7.016 25.782 1.00 0.00 H ATOM 1210 HD13 ILE A 81 28.942 8.553 26.625 1.00 0.00 H ATOM 1211 HG21 ILE A 81 26.587 3.987 26.912 1.00 0.00 H ATOM 1212 HG22 ILE A 81 25.715 5.504 26.582 1.00 0.00 H ATOM 1213 HG23 ILE A 81 27.298 5.205 25.825 1.00 0.00 H ATOM 1214 H ILE A 81 25.152 7.163 29.235 1.00 0.00 H ATOM 1215 N THR A 82 28.380 5.413 30.797 1.00 19.03 N ATOM 1216 CA THR A 82 29.280 5.876 31.844 1.00 17.60 C ATOM 1217 C THR A 82 30.726 5.721 31.369 1.00 17.60 C ATOM 1218 O THR A 82 31.154 4.634 30.988 1.00 17.31 O ATOM 1219 CB THR A 82 29.074 5.091 33.152 1.00 17.36 C ATOM 1220 OG1 THR A 82 27.726 5.277 33.608 1.00 16.60 O ATOM 1221 CG2 THR A 82 30.053 5.577 34.228 1.00 17.77 C ATOM 1222 HA THR A 82 29.062 6.925 32.047 1.00 0.00 H ATOM 1223 HB THR A 82 29.259 4.033 32.964 1.00 0.00 H ATOM 1224 HG1 THR A 82 27.097 4.946 32.919 1.00 0.00 H ATOM 1225 HG23 THR A 82 31.075 5.434 33.878 1.00 0.00 H ATOM 1226 HG21 THR A 82 29.879 6.635 34.424 1.00 0.00 H ATOM 1227 HG22 THR A 82 29.898 5.006 35.143 1.00 0.00 H ATOM 1228 H THR A 82 28.541 4.475 30.378 1.00 0.00 H ATOM 1229 N ASP A 83 31.429 6.841 31.277 1.00 20.55 N ATOM 1230 CA ASP A 83 32.835 6.846 30.884 1.00 22.92 C ATOM 1231 C ASP A 83 33.732 6.797 32.110 1.00 22.87 C ATOM 1232 O ASP A 83 33.509 7.526 33.077 1.00 21.19 O ATOM 1233 CB ASP A 83 33.160 8.108 30.116 1.00 26.55 C ATOM 1234 CG ASP A 83 33.326 7.847 28.673 1.00 31.73 C ATOM 1235 OD1 ASP A 83 32.355 7.367 28.050 1.00 33.87 O ATOM 1236 OD2 ASP A 83 34.443 8.083 28.167 1.00 38.37 O ATOM 1237 HA ASP A 83 33.009 5.969 30.260 1.00 0.00 H ATOM 1238 HB2 ASP A 83 32.349 8.823 30.254 1.00 0.00 H ATOM 1239 HB3 ASP A 83 34.086 8.530 30.507 1.00 0.00 H ATOM 1240 H ASP A 83 30.964 7.746 31.492 1.00 0.00 H ATOM 1241 N CYS A 84 34.749 5.947 32.062 1.00 23.28 N ATOM 1242 CA CYS A 84 35.689 5.821 33.171 1.00 24.15 C ATOM 1243 C CYS A 84 37.054 6.261 32.654 1.00 26.29 C ATOM 1244 O CYS A 84 37.549 5.704 31.679 1.00 25.68 O ATOM 1245 CB CYS A 84 35.736 4.373 33.665 1.00 21.76 C ATOM 1246 SG CYS A 84 34.150 3.717 34.275 1.00 18.75 S ATOM 1247 HA CYS A 84 35.383 6.441 34.014 1.00 0.00 H ATOM 1248 HB2 CYS A 84 36.461 4.316 34.477 1.00 0.00 H ATOM 1249 HB3 CYS A 84 36.067 3.744 32.839 1.00 0.00 H ATOM 1250 H CYS A 84 34.879 5.357 31.215 1.00 0.00 H ATOM 1251 N ARG A 85 37.594 7.332 33.234 1.00 30.09 N ATOM 1252 CA ARG A 85 38.909 7.867 32.852 1.00 33.76 C ATOM 1253 C ARG A 85 39.840 7.646 34.033 1.00 33.93 C ATOM 1254 O ARG A 85 39.522 8.050 35.153 1.00 32.47 O ATOM 1255 CB ARG A 85 38.866 9.381 32.618 1.00 38.25 C ATOM 1256 CG ARG A 85 38.317 9.907 31.301 1.00 46.27 C ATOM 1257 CD ARG A 85 38.616 11.425 31.248 1.00 52.07 C ATOM 1258 NE ARG A 85 37.926 12.178 30.191 1.00 56.66 N ATOM 1259 CZ ARG A 85 38.196 13.450 29.872 1.00 59.49 C ATOM 1260 NH1 ARG A 85 39.150 14.127 30.514 1.00 60.36 N ATOM 1261 NH2 ARG A 85 37.488 14.066 28.931 1.00 58.69 N ATOM 1262 HA ARG A 85 39.230 7.371 31.936 1.00 0.00 H ATOM 1263 HB2 ARG A 85 38.256 9.810 33.413 1.00 0.00 H ATOM 1264 HB3 ARG A 85 39.889 9.748 32.708 1.00 0.00 H ATOM 1265 HG2 ARG A 85 38.803 9.402 30.466 1.00 0.00 H ATOM 1266 HG3 ARG A 85 37.242 9.737 31.251 1.00 0.00 H ATOM 1267 HD2 ARG A 85 39.689 11.550 31.101 1.00 0.00 H ATOM 1268 HD3 ARG A 85 38.329 11.856 32.207 1.00 0.00 H ATOM 1269 HE ARG A 85 37.179 11.691 29.656 1.00 0.00 H ATOM 1270 HH12 ARG A 85 39.350 15.115 30.256 1.00 0.00 H ATOM 1271 HH11 ARG A 85 39.694 13.667 31.272 1.00 0.00 H ATOM 1272 HH22 ARG A 85 37.699 15.054 28.685 1.00 0.00 H ATOM 1273 HH21 ARG A 85 36.723 13.560 28.441 1.00 0.00 H ATOM 1274 H ARG A 85 37.063 7.810 33.989 1.00 0.00 H ATOM 1275 N GLU A 86 40.986 7.027 33.783 1.00 35.56 N ATOM 1276 CA GLU A 86 41.971 6.770 34.833 1.00 38.04 C ATOM 1277 C GLU A 86 42.563 8.116 35.269 1.00 39.45 C ATOM 1278 O GLU A 86 43.035 8.881 34.427 1.00 41.10 O ATOM 1279 CB GLU A 86 43.082 5.865 34.284 1.00 37.09 C ATOM 1280 CG GLU A 86 44.145 5.460 35.287 1.00 36.46 C ATOM 1281 CD GLU A 86 45.375 4.828 34.640 1.00 36.20 C ATOM 1282 OE1 GLU A 86 45.689 5.145 33.468 1.00 34.83 O ATOM 1283 OE2 GLU A 86 46.041 4.023 35.322 1.00 35.50 O ATOM 1284 HA GLU A 86 41.503 6.273 35.682 1.00 0.00 H ATOM 1285 HB2 GLU A 86 42.618 4.957 33.900 1.00 0.00 H ATOM 1286 HB3 GLU A 86 43.574 6.393 33.467 1.00 0.00 H ATOM 1287 HG2 GLU A 86 44.460 6.348 35.836 1.00 0.00 H ATOM 1288 HG3 GLU A 86 43.710 4.741 35.981 1.00 0.00 H ATOM 1289 H GLU A 86 41.190 6.715 32.812 1.00 0.00 H ATOM 1290 N THR A 87 42.480 8.439 36.558 1.00 41.05 N ATOM 1291 CA THR A 87 43.036 9.699 37.048 1.00 42.62 C ATOM 1292 C THR A 87 44.552 9.539 37.189 1.00 44.65 C ATOM 1293 O THR A 87 45.028 8.460 37.528 1.00 44.38 O ATOM 1294 CB THR A 87 42.421 10.103 38.396 1.00 42.46 C ATOM 1295 OG1 THR A 87 42.629 9.064 39.358 1.00 42.04 O ATOM 1296 CG2 THR A 87 40.942 10.333 38.240 1.00 42.44 C ATOM 1297 HA THR A 87 42.801 10.489 36.335 1.00 0.00 H ATOM 1298 HB THR A 87 42.901 11.021 38.735 1.00 0.00 H ATOM 1299 HG1 THR A 87 43.601 8.913 39.474 1.00 0.00 H ATOM 1300 HG23 THR A 87 40.774 11.123 37.509 1.00 0.00 H ATOM 1301 HG21 THR A 87 40.467 9.413 37.899 1.00 0.00 H ATOM 1302 HG22 THR A 87 40.518 10.628 39.200 1.00 0.00 H ATOM 1303 H THR A 87 42.015 7.788 37.223 1.00 0.00 H ATOM 1304 N GLY A 88 45.306 10.599 36.905 1.00 46.50 N ATOM 1305 CA GLY A 88 46.765 10.546 37.000 1.00 48.28 C ATOM 1306 C GLY A 88 47.347 9.886 38.251 1.00 48.45 C ATOM 1307 O GLY A 88 48.316 9.116 38.162 1.00 49.83 O ATOM 1308 HA3 GLY A 88 47.136 11.570 36.963 1.00 0.00 H ATOM 1309 HA2 GLY A 88 47.133 9.996 36.134 1.00 0.00 H ATOM 1310 H GLY A 88 44.848 11.484 36.609 1.00 0.00 H ATOM 1311 N SER A 89 46.756 10.184 39.408 1.00 47.29 N ATOM 1312 CA SER A 89 47.180 9.620 40.690 1.00 46.40 C ATOM 1313 C SER A 89 46.996 8.099 40.783 1.00 44.74 C ATOM 1314 O SER A 89 47.347 7.476 41.787 1.00 45.31 O ATOM 1315 CB SER A 89 46.412 10.308 41.814 1.00 47.87 C ATOM 1316 OG SER A 89 45.109 10.646 41.373 1.00 50.27 O ATOM 1317 HA SER A 89 48.251 9.801 40.782 1.00 0.00 H ATOM 1318 HB2 SER A 89 46.940 11.214 42.110 1.00 0.00 H ATOM 1319 HB3 SER A 89 46.341 9.635 42.668 1.00 0.00 H ATOM 1320 HG SER A 89 44.618 11.092 42.108 1.00 0.00 H ATOM 1321 H SER A 89 45.956 10.849 39.399 1.00 0.00 H ATOM 1322 N SER A 90 46.377 7.524 39.761 1.00 41.81 N ATOM 1323 CA SER A 90 46.155 6.095 39.684 1.00 38.40 C ATOM 1324 C SER A 90 47.534 5.471 39.471 1.00 37.23 C ATOM 1325 O SER A 90 48.308 5.948 38.640 1.00 36.92 O ATOM 1326 CB SER A 90 45.247 5.811 38.484 1.00 35.93 C ATOM 1327 OG SER A 90 45.144 4.436 38.179 1.00 35.30 O ATOM 1328 HA SER A 90 45.680 5.691 40.578 1.00 0.00 H ATOM 1329 HB2 SER A 90 45.649 6.330 37.614 1.00 0.00 H ATOM 1330 HB3 SER A 90 44.250 6.193 38.705 1.00 0.00 H ATOM 1331 HG SER A 90 44.547 4.316 37.398 1.00 0.00 H ATOM 1332 H SER A 90 46.037 8.124 38.983 1.00 0.00 H ATOM 1333 N LYS A 91 47.855 4.440 40.245 1.00 34.94 N ATOM 1334 CA LYS A 91 49.132 3.752 40.108 1.00 33.48 C ATOM 1335 C LYS A 91 48.883 2.280 40.275 1.00 31.16 C ATOM 1336 O LYS A 91 48.440 1.853 41.332 1.00 31.38 O ATOM 1337 CB LYS A 91 50.135 4.213 41.172 1.00 34.97 C ATOM 1338 CG LYS A 91 51.085 5.318 40.711 1.00 38.50 C ATOM 1339 CD LYS A 91 51.974 4.873 39.539 1.00 41.82 C ATOM 1340 CE LYS A 91 52.640 6.068 38.842 1.00 43.23 C ATOM 1341 NZ LYS A 91 53.336 5.674 37.584 1.00 42.52 N ATOM 1342 HA LYS A 91 49.555 3.977 39.129 1.00 0.00 H ATOM 1343 HB2 LYS A 91 49.575 4.582 42.031 1.00 0.00 H ATOM 1344 HB3 LYS A 91 50.733 3.353 41.472 1.00 0.00 H ATOM 1345 HG2 LYS A 91 50.495 6.179 40.396 1.00 0.00 H ATOM 1346 HG3 LYS A 91 51.724 5.603 41.547 1.00 0.00 H ATOM 1347 HD2 LYS A 91 52.750 4.208 39.917 1.00 0.00 H ATOM 1348 HD3 LYS A 91 51.361 4.338 38.814 1.00 0.00 H ATOM 1349 HE2 LYS A 91 53.368 6.509 39.522 1.00 0.00 H ATOM 1350 HE3 LYS A 91 51.874 6.806 38.603 1.00 0.00 H ATOM 1351 HZ1 LYS A 91 54.075 4.975 37.802 1.00 0.00 H ATOM 1352 HZ2 LYS A 91 52.648 5.258 36.924 1.00 0.00 H ATOM 1353 HZ3 LYS A 91 53.769 6.515 37.151 1.00 0.00 H ATOM 1354 H LYS A 91 47.179 4.116 40.966 1.00 0.00 H ATOM 1355 N TYR A 92 49.136 1.501 39.233 1.00 30.36 N ATOM 1356 CA TYR A 92 48.933 0.062 39.311 1.00 30.31 C ATOM 1357 C TYR A 92 49.718 -0.462 40.514 1.00 30.57 C ATOM 1358 O TYR A 92 50.868 -0.067 40.727 1.00 29.91 O ATOM 1359 CB TYR A 92 49.415 -0.613 38.026 1.00 30.78 C ATOM 1360 CG TYR A 92 49.230 -2.121 37.998 1.00 32.77 C ATOM 1361 CD1 TYR A 92 48.054 -2.690 37.517 1.00 31.94 C ATOM 1362 CD2 TYR A 92 50.247 -2.980 38.426 1.00 33.43 C ATOM 1363 CE1 TYR A 92 47.890 -4.074 37.459 1.00 32.87 C ATOM 1364 CE2 TYR A 92 50.092 -4.368 38.368 1.00 34.40 C ATOM 1365 CZ TYR A 92 48.912 -4.906 37.880 1.00 34.51 C ATOM 1366 OH TYR A 92 48.772 -6.271 37.790 1.00 35.04 O ATOM 1367 HA TYR A 92 47.873 -0.162 39.428 1.00 0.00 H ATOM 1368 HB3 TYR A 92 50.477 -0.398 37.906 1.00 0.00 H ATOM 1369 HB2 TYR A 92 48.862 -0.186 37.189 1.00 0.00 H ATOM 1370 HD2 TYR A 92 51.176 -2.560 38.811 1.00 0.00 H ATOM 1371 HE2 TYR A 92 50.895 -5.024 38.705 1.00 0.00 H ATOM 1372 HE1 TYR A 92 46.959 -4.499 37.083 1.00 0.00 H ATOM 1373 HD1 TYR A 92 47.246 -2.041 37.179 1.00 0.00 H ATOM 1374 HH TYR A 92 47.877 -6.486 37.425 1.00 0.00 H ATOM 1375 H TYR A 92 49.484 1.923 38.349 1.00 0.00 H ATOM 1376 N PRO A 93 49.136 -1.407 41.279 1.00 30.63 N ATOM 1377 CA PRO A 93 47.811 -2.019 41.107 1.00 31.57 C ATOM 1378 C PRO A 93 46.619 -1.247 41.690 1.00 31.79 C ATOM 1379 O PRO A 93 45.504 -1.767 41.726 1.00 30.13 O ATOM 1380 CB PRO A 93 47.986 -3.368 41.798 1.00 31.73 C ATOM 1381 CG PRO A 93 48.840 -3.012 42.955 1.00 31.77 C ATOM 1382 CD PRO A 93 49.889 -2.099 42.338 1.00 31.35 C ATOM 1383 HA PRO A 93 47.544 -2.058 40.051 1.00 0.00 H ATOM 1384 HD3 PRO A 93 50.275 -1.392 43.072 1.00 0.00 H ATOM 1385 HD2 PRO A 93 50.715 -2.675 41.921 1.00 0.00 H ATOM 1386 HG3 PRO A 93 49.300 -3.899 43.391 1.00 0.00 H ATOM 1387 HG2 PRO A 93 48.266 -2.489 43.720 1.00 0.00 H ATOM 1388 HB2 PRO A 93 47.028 -3.775 42.122 1.00 0.00 H ATOM 1389 HB3 PRO A 93 48.482 -4.086 41.145 1.00 0.00 H ATOM 1390 N ASN A 94 46.866 -0.034 42.178 1.00 32.14 N ATOM 1391 CA ASN A 94 45.812 0.807 42.751 1.00 32.46 C ATOM 1392 C ASN A 94 45.305 1.721 41.647 1.00 30.25 C ATOM 1393 O ASN A 94 45.671 2.901 41.570 1.00 28.99 O ATOM 1394 CB ASN A 94 46.342 1.665 43.911 1.00 36.15 C ATOM 1395 CG ASN A 94 47.234 0.884 44.863 1.00 40.50 C ATOM 1396 OD1 ASN A 94 48.469 0.961 44.786 1.00 42.64 O ATOM 1397 ND2 ASN A 94 46.617 0.108 45.749 1.00 41.11 N ATOM 1398 HA ASN A 94 45.019 0.172 43.145 1.00 0.00 H ATOM 1399 HB2 ASN A 94 46.916 2.494 43.497 1.00 0.00 H ATOM 1400 HB3 ASN A 94 45.493 2.056 44.471 1.00 0.00 H ATOM 1401 HD22 ASN A 94 45.578 0.075 45.777 1.00 0.00 H ATOM 1402 HD21 ASN A 94 47.173 -0.466 46.414 1.00 0.00 H ATOM 1403 H ASN A 94 47.840 0.329 42.152 1.00 0.00 H ATOM 1404 N CYS A 95 44.494 1.158 40.766 1.00 27.63 N ATOM 1405 CA CYS A 95 43.938 1.917 39.662 1.00 26.53 C ATOM 1406 C CYS A 95 42.821 2.840 40.158 1.00 25.95 C ATOM 1407 O CYS A 95 41.989 2.444 40.971 1.00 25.77 O ATOM 1408 CB CYS A 95 43.441 0.950 38.595 1.00 27.00 C ATOM 1409 SG CYS A 95 44.714 -0.253 38.079 1.00 23.50 S ATOM 1410 HA CYS A 95 44.707 2.552 39.222 1.00 0.00 H ATOM 1411 HB2 CYS A 95 43.130 1.524 37.722 1.00 0.00 H ATOM 1412 HB3 CYS A 95 42.586 0.403 38.992 1.00 0.00 H ATOM 1413 H CYS A 95 44.251 0.152 40.867 1.00 0.00 H ATOM 1414 N ALA A 96 42.819 4.073 39.669 1.00 26.27 N ATOM 1415 CA ALA A 96 41.835 5.064 40.077 1.00 25.81 C ATOM 1416 C ALA A 96 41.180 5.682 38.860 1.00 25.29 C ATOM 1417 O ALA A 96 41.852 6.006 37.879 1.00 23.69 O ATOM 1418 CB ALA A 96 42.482 6.137 40.922 1.00 26.89 C ATOM 1419 HA ALA A 96 41.071 4.567 40.674 1.00 0.00 H ATOM 1420 HB1 ALA A 96 42.918 5.683 41.812 1.00 0.00 H ATOM 1421 HB2 ALA A 96 43.264 6.631 40.344 1.00 0.00 H ATOM 1422 HB3 ALA A 96 41.730 6.868 41.217 1.00 0.00 H ATOM 1423 H ALA A 96 43.543 4.340 38.972 1.00 0.00 H ATOM 1424 N TYR A 97 39.868 5.891 38.971 1.00 24.67 N ATOM 1425 CA TYR A 97 39.055 6.424 37.889 1.00 25.17 C ATOM 1426 C TYR A 97 38.075 7.517 38.281 1.00 25.32 C ATOM 1427 O TYR A 97 37.554 7.553 39.392 1.00 24.40 O ATOM 1428 CB TYR A 97 38.240 5.287 37.251 1.00 22.51 C ATOM 1429 CG TYR A 97 39.082 4.193 36.654 1.00 22.20 C ATOM 1430 CD1 TYR A 97 39.534 3.132 37.441 1.00 20.86 C ATOM 1431 CD2 TYR A 97 39.480 4.243 35.311 1.00 21.11 C ATOM 1432 CE1 TYR A 97 40.367 2.156 36.909 1.00 19.86 C ATOM 1433 CE2 TYR A 97 40.312 3.267 34.772 1.00 19.85 C ATOM 1434 CZ TYR A 97 40.748 2.229 35.579 1.00 19.39 C ATOM 1435 OH TYR A 97 41.544 1.238 35.064 1.00 20.97 O ATOM 1436 HA TYR A 97 39.774 6.875 37.205 1.00 0.00 H ATOM 1437 HB3 TYR A 97 37.618 5.711 36.462 1.00 0.00 H ATOM 1438 HB2 TYR A 97 37.602 4.849 38.019 1.00 0.00 H ATOM 1439 HD2 TYR A 97 39.132 5.060 34.679 1.00 0.00 H ATOM 1440 HE2 TYR A 97 40.617 3.318 33.727 1.00 0.00 H ATOM 1441 HE1 TYR A 97 40.719 1.336 37.535 1.00 0.00 H ATOM 1442 HD1 TYR A 97 39.229 3.069 38.486 1.00 0.00 H ATOM 1443 HH TYR A 97 42.381 1.636 34.717 1.00 0.00 H ATOM 1444 H TYR A 97 39.404 5.662 39.873 1.00 0.00 H ATOM 1445 N LYS A 98 37.769 8.346 37.297 1.00 26.99 N ATOM 1446 CA LYS A 98 36.812 9.426 37.428 1.00 28.12 C ATOM 1447 C LYS A 98 35.581 8.923 36.665 1.00 27.24 C ATOM 1448 O LYS A 98 35.693 8.525 35.495 1.00 28.28 O ATOM 1449 CB LYS A 98 37.362 10.664 36.742 1.00 30.25 C ATOM 1450 CG LYS A 98 36.489 11.891 36.819 1.00 34.64 C ATOM 1451 CD LYS A 98 37.004 12.948 35.857 1.00 38.14 C ATOM 1452 CE LYS A 98 38.543 13.094 35.917 1.00 42.77 C ATOM 1453 NZ LYS A 98 39.345 12.090 35.106 1.00 43.53 N ATOM 1454 HA LYS A 98 36.593 9.683 38.464 1.00 0.00 H ATOM 1455 HB2 LYS A 98 38.321 10.905 37.201 1.00 0.00 H ATOM 1456 HB3 LYS A 98 37.514 10.425 35.689 1.00 0.00 H ATOM 1457 HG2 LYS A 98 35.466 11.625 36.552 1.00 0.00 H ATOM 1458 HG3 LYS A 98 36.507 12.286 37.835 1.00 0.00 H ATOM 1459 HD2 LYS A 98 36.717 12.670 34.843 1.00 0.00 H ATOM 1460 HD3 LYS A 98 36.550 13.906 36.112 1.00 0.00 H ATOM 1461 HE2 LYS A 98 38.846 12.997 36.960 1.00 0.00 H ATOM 1462 HE3 LYS A 98 38.797 14.091 35.557 1.00 0.00 H ATOM 1463 HZ1 LYS A 98 39.134 11.128 35.441 1.00 0.00 H ATOM 1464 HZ2 LYS A 98 39.088 12.173 34.102 1.00 0.00 H ATOM 1465 HZ3 LYS A 98 40.360 12.284 35.222 1.00 0.00 H ATOM 1466 H LYS A 98 38.241 8.216 36.379 1.00 0.00 H ATOM 1467 N THR A 99 34.440 8.891 37.345 1.00 26.48 N ATOM 1468 CA THR A 99 33.185 8.435 36.771 1.00 26.55 C ATOM 1469 C THR A 99 32.416 9.576 36.109 1.00 27.89 C ATOM 1470 O THR A 99 32.174 10.615 36.722 1.00 28.11 O ATOM 1471 CB THR A 99 32.289 7.790 37.852 1.00 26.18 C ATOM 1472 OG1 THR A 99 32.938 6.627 38.393 1.00 26.30 O ATOM 1473 CG2 THR A 99 30.938 7.400 37.275 1.00 23.61 C ATOM 1474 HA THR A 99 33.438 7.695 36.011 1.00 0.00 H ATOM 1475 HB THR A 99 32.128 8.521 38.645 1.00 0.00 H ATOM 1476 HG1 THR A 99 33.099 5.973 37.668 1.00 0.00 H ATOM 1477 HG23 THR A 99 30.450 8.285 36.866 1.00 0.00 H ATOM 1478 HG21 THR A 99 31.081 6.664 36.484 1.00 0.00 H ATOM 1479 HG22 THR A 99 30.318 6.973 38.063 1.00 0.00 H ATOM 1480 H THR A 99 34.445 9.207 38.336 1.00 0.00 H ATOM 1481 N THR A 100 32.003 9.368 34.864 1.00 28.51 N ATOM 1482 CA THR A 100 31.254 10.387 34.148 1.00 28.04 C ATOM 1483 C THR A 100 30.068 9.850 33.365 1.00 25.26 C ATOM 1484 O THR A 100 30.218 9.050 32.449 1.00 24.49 O ATOM 1485 CB THR A 100 32.168 11.185 33.244 1.00 28.62 C ATOM 1486 OG1 THR A 100 33.159 11.839 34.050 1.00 32.80 O ATOM 1487 CG2 THR A 100 31.366 12.222 32.468 1.00 31.70 C ATOM 1488 HA THR A 100 30.835 11.039 34.915 1.00 0.00 H ATOM 1489 HB THR A 100 32.651 10.517 32.531 1.00 0.00 H ATOM 1490 HG1 THR A 100 33.683 11.159 34.543 1.00 0.00 H ATOM 1491 HG23 THR A 100 30.616 11.718 31.859 1.00 0.00 H ATOM 1492 HG21 THR A 100 30.874 12.897 33.168 1.00 0.00 H ATOM 1493 HG22 THR A 100 32.037 12.791 31.824 1.00 0.00 H ATOM 1494 H THR A 100 32.218 8.465 34.396 1.00 0.00 H ATOM 1495 N GLN A 101 28.888 10.315 33.746 1.00 24.81 N ATOM 1496 CA GLN A 101 27.631 9.911 33.125 1.00 24.54 C ATOM 1497 C GLN A 101 27.265 10.857 31.999 1.00 22.82 C ATOM 1498 O GLN A 101 27.519 12.060 32.083 1.00 22.52 O ATOM 1499 CB GLN A 101 26.516 9.914 34.174 1.00 26.23 C ATOM 1500 CG GLN A 101 25.113 9.643 33.643 1.00 29.50 C ATOM 1501 CD GLN A 101 24.954 8.259 33.052 1.00 31.20 C ATOM 1502 OE1 GLN A 101 24.050 8.012 32.245 1.00 31.93 O ATOM 1503 NE2 GLN A 101 25.819 7.338 33.461 1.00 31.93 N ATOM 1504 HA GLN A 101 27.751 8.908 32.716 1.00 0.00 H ATOM 1505 HB2 GLN A 101 26.749 9.148 34.914 1.00 0.00 H ATOM 1506 HB3 GLN A 101 26.510 10.892 34.655 1.00 0.00 H ATOM 1507 HG2 GLN A 101 24.405 9.752 34.464 1.00 0.00 H ATOM 1508 HG3 GLN A 101 24.887 10.378 32.870 1.00 0.00 H ATOM 1509 HE22 GLN A 101 26.564 7.590 34.141 1.00 0.00 H ATOM 1510 HE21 GLN A 101 25.751 6.365 33.101 1.00 0.00 H ATOM 1511 H GLN A 101 28.856 11.002 34.526 1.00 0.00 H ATOM 1512 N ALA A 102 26.674 10.307 30.947 1.00 21.64 N ATOM 1513 CA ALA A 102 26.255 11.113 29.810 1.00 20.16 C ATOM 1514 C ALA A 102 25.257 10.325 28.972 1.00 19.74 C ATOM 1515 O ALA A 102 25.036 9.136 29.208 1.00 18.47 O ATOM 1516 CB ALA A 102 27.467 11.483 28.970 1.00 18.17 C ATOM 1517 HA ALA A 102 25.780 12.028 30.165 1.00 0.00 H ATOM 1518 HB1 ALA A 102 28.169 12.053 29.579 1.00 0.00 H ATOM 1519 HB2 ALA A 102 27.950 10.574 28.611 1.00 0.00 H ATOM 1520 HB3 ALA A 102 27.148 12.086 28.120 1.00 0.00 H ATOM 1521 H ALA A 102 26.507 9.281 30.934 1.00 0.00 H ATOM 1522 N ASN A 103 24.595 11.006 28.047 1.00 19.67 N ATOM 1523 CA ASN A 103 23.660 10.348 27.140 1.00 20.16 C ATOM 1524 C ASN A 103 24.143 10.693 25.756 1.00 18.69 C ATOM 1525 O ASN A 103 24.070 11.847 25.339 1.00 20.24 O ATOM 1526 CB ASN A 103 22.235 10.846 27.336 1.00 22.90 C ATOM 1527 CG ASN A 103 21.651 10.387 28.641 1.00 26.26 C ATOM 1528 OD1 ASN A 103 20.886 9.421 28.692 1.00 27.15 O ATOM 1529 ND2 ASN A 103 22.049 11.046 29.722 1.00 29.59 N ATOM 1530 HA ASN A 103 23.633 9.273 27.320 1.00 0.00 H ATOM 1531 HB2 ASN A 103 22.237 11.936 27.315 1.00 0.00 H ATOM 1532 HB3 ASN A 103 21.616 10.470 26.522 1.00 0.00 H ATOM 1533 HD22 ASN A 103 22.695 11.855 29.629 1.00 0.00 H ATOM 1534 HD21 ASN A 103 21.714 10.753 30.662 1.00 0.00 H ATOM 1535 H ASN A 103 24.745 12.032 27.966 1.00 0.00 H ATOM 1536 N LYS A 104 24.645 9.695 25.043 1.00 18.59 N ATOM 1537 CA LYS A 104 25.180 9.923 23.706 1.00 17.45 C ATOM 1538 C LYS A 104 24.892 8.733 22.801 1.00 16.13 C ATOM 1539 O LYS A 104 24.374 7.714 23.256 1.00 15.49 O ATOM 1540 CB LYS A 104 26.701 10.151 23.781 1.00 19.17 C ATOM 1541 CG LYS A 104 27.136 11.402 24.547 1.00 20.85 C ATOM 1542 CD LYS A 104 28.653 11.524 24.665 1.00 23.46 C ATOM 1543 CE LYS A 104 29.299 11.839 23.321 1.00 29.41 C ATOM 1544 NZ LYS A 104 30.791 12.018 23.337 1.00 29.85 N ATOM 1545 HA LYS A 104 24.697 10.807 23.290 1.00 0.00 H ATOM 1546 HB2 LYS A 104 27.148 9.285 24.268 1.00 0.00 H ATOM 1547 HB3 LYS A 104 27.081 10.230 22.762 1.00 0.00 H ATOM 1548 HG2 LYS A 104 26.755 12.280 24.026 1.00 0.00 H ATOM 1549 HG3 LYS A 104 26.710 11.363 25.550 1.00 0.00 H ATOM 1550 HD2 LYS A 104 28.890 12.323 25.367 1.00 0.00 H ATOM 1551 HD3 LYS A 104 29.055 10.583 25.039 1.00 0.00 H ATOM 1552 HE2 LYS A 104 28.856 12.761 22.945 1.00 0.00 H ATOM 1553 HE3 LYS A 104 29.068 11.021 22.639 1.00 0.00 H ATOM 1554 HZ1 LYS A 104 31.038 12.806 23.970 1.00 0.00 H ATOM 1555 HZ2 LYS A 104 31.240 11.144 23.678 1.00 0.00 H ATOM 1556 HZ3 LYS A 104 31.124 12.228 22.374 1.00 0.00 H ATOM 1557 H LYS A 104 24.658 8.735 25.443 1.00 0.00 H ATOM 1558 N HIS A 105 25.163 8.906 21.509 1.00 15.36 N ATOM 1559 CA HIS A 105 24.993 7.852 20.520 1.00 14.02 C ATOM 1560 C HIS A 105 26.238 6.998 20.649 1.00 14.52 C ATOM 1561 O HIS A 105 27.329 7.537 20.850 1.00 16.07 O ATOM 1562 CB HIS A 105 24.959 8.442 19.109 1.00 14.68 C ATOM 1563 CG HIS A 105 23.827 9.393 18.883 1.00 15.53 C ATOM 1564 ND1 HIS A 105 22.580 8.984 18.459 1.00 16.47 N ATOM 1565 CD2 HIS A 105 23.737 10.731 19.067 1.00 17.06 C ATOM 1566 CE1 HIS A 105 21.770 10.025 18.397 1.00 14.79 C ATOM 1567 NE2 HIS A 105 22.447 11.096 18.761 1.00 17.03 N ATOM 1568 HA HIS A 105 24.067 7.300 20.679 1.00 0.00 H ATOM 1569 HB2 HIS A 105 25.895 8.973 18.935 1.00 0.00 H ATOM 1570 HB3 HIS A 105 24.869 7.623 18.395 1.00 0.00 H ATOM 1571 HD2 HIS A 105 24.537 11.394 19.396 1.00 0.00 H ATOM 1572 HE1 HIS A 105 20.722 10.003 18.097 1.00 0.00 H ATOM 1573 H HIS A 105 25.511 9.834 21.193 1.00 0.00 H ATOM 1574 N ILE A 106 26.092 5.679 20.591 1.00 13.05 N ATOM 1575 CA ILE A 106 27.274 4.813 20.681 1.00 12.87 C ATOM 1576 C ILE A 106 27.621 4.273 19.302 1.00 11.12 C ATOM 1577 O ILE A 106 26.760 4.207 18.420 1.00 10.58 O ATOM 1578 CB ILE A 106 27.115 3.612 21.691 1.00 13.02 C ATOM 1579 CG1 ILE A 106 26.130 2.559 21.165 1.00 14.11 C ATOM 1580 CG2 ILE A 106 26.672 4.122 23.053 1.00 13.74 C ATOM 1581 CD1 ILE A 106 26.182 1.233 21.904 1.00 13.89 C ATOM 1582 HA ILE A 106 28.078 5.438 21.070 1.00 0.00 H ATOM 1583 HB ILE A 106 28.088 3.132 21.793 1.00 0.00 H ATOM 1584 HG12 ILE A 106 25.121 2.961 21.253 1.00 0.00 H ATOM 1585 HG13 ILE A 106 26.355 2.374 20.115 1.00 0.00 H ATOM 1586 HD11 ILE A 106 27.182 0.808 21.816 1.00 0.00 H ATOM 1587 HD12 ILE A 106 25.946 1.395 22.956 1.00 0.00 H ATOM 1588 HD13 ILE A 106 25.455 0.547 21.469 1.00 0.00 H ATOM 1589 HG21 ILE A 106 27.418 4.816 23.440 1.00 0.00 H ATOM 1590 HG22 ILE A 106 25.715 4.633 22.954 1.00 0.00 H ATOM 1591 HG23 ILE A 106 26.567 3.281 23.738 1.00 0.00 H ATOM 1592 H ILE A 106 25.145 5.262 20.482 1.00 0.00 H ATOM 1593 N ILE A 107 28.901 3.965 19.105 1.00 10.75 N ATOM 1594 CA ILE A 107 29.392 3.396 17.854 1.00 9.92 C ATOM 1595 C ILE A 107 30.120 2.115 18.237 1.00 10.52 C ATOM 1596 O ILE A 107 31.067 2.135 19.036 1.00 10.05 O ATOM 1597 CB ILE A 107 30.367 4.336 17.096 1.00 8.63 C ATOM 1598 CG1 ILE A 107 29.677 5.648 16.719 1.00 10.21 C ATOM 1599 CG2 ILE A 107 30.881 3.656 15.836 1.00 9.91 C ATOM 1600 CD1 ILE A 107 30.576 6.650 16.016 1.00 10.74 C ATOM 1601 HA ILE A 107 28.553 3.228 17.178 1.00 0.00 H ATOM 1602 HB ILE A 107 31.204 4.556 17.758 1.00 0.00 H ATOM 1603 HG12 ILE A 107 28.842 5.417 16.058 1.00 0.00 H ATOM 1604 HG13 ILE A 107 29.300 6.110 17.631 1.00 0.00 H ATOM 1605 HD11 ILE A 107 31.412 6.905 16.667 1.00 0.00 H ATOM 1606 HD12 ILE A 107 30.954 6.212 15.092 1.00 0.00 H ATOM 1607 HD13 ILE A 107 30.005 7.550 15.786 1.00 0.00 H ATOM 1608 HG21 ILE A 107 31.406 2.740 16.107 1.00 0.00 H ATOM 1609 HG22 ILE A 107 30.040 3.415 15.186 1.00 0.00 H ATOM 1610 HG23 ILE A 107 31.564 4.327 15.315 1.00 0.00 H ATOM 1611 H ILE A 107 29.579 4.137 19.874 1.00 0.00 H ATOM 1612 N VAL A 108 29.644 1.002 17.693 1.00 10.81 N ATOM 1613 CA VAL A 108 30.215 -0.317 17.963 1.00 11.51 C ATOM 1614 C VAL A 108 30.598 -1.038 16.664 1.00 11.25 C ATOM 1615 O VAL A 108 30.049 -0.740 15.600 1.00 13.14 O ATOM 1616 CB VAL A 108 29.202 -1.235 18.771 1.00 11.06 C ATOM 1617 CG1 VAL A 108 28.924 -0.638 20.162 1.00 11.60 C ATOM 1618 CG2 VAL A 108 27.884 -1.442 17.981 1.00 10.39 C ATOM 1619 HA VAL A 108 31.109 -0.149 18.563 1.00 0.00 H ATOM 1620 HB VAL A 108 29.664 -2.213 18.906 1.00 0.00 H ATOM 1621 HG11 VAL A 108 29.858 -0.566 20.719 1.00 0.00 H ATOM 1622 HG12 VAL A 108 28.490 0.355 20.049 1.00 0.00 H ATOM 1623 HG13 VAL A 108 28.228 -1.282 20.700 1.00 0.00 H ATOM 1624 HG21 VAL A 108 27.413 -0.475 17.803 1.00 0.00 H ATOM 1625 HG22 VAL A 108 28.105 -1.921 17.027 1.00 0.00 H ATOM 1626 HG23 VAL A 108 27.211 -2.074 18.560 1.00 0.00 H ATOM 1627 H VAL A 108 28.831 1.071 17.048 1.00 0.00 H ATOM 1628 N ALA A 109 31.586 -1.931 16.748 1.00 10.44 N ATOM 1629 CA ALA A 109 32.010 -2.737 15.604 1.00 9.55 C ATOM 1630 C ALA A 109 31.270 -4.072 15.777 1.00 8.98 C ATOM 1631 O ALA A 109 31.185 -4.589 16.888 1.00 10.69 O ATOM 1632 CB ALA A 109 33.529 -2.958 15.639 1.00 8.95 C ATOM 1633 HA ALA A 109 31.784 -2.258 14.651 1.00 0.00 H ATOM 1634 HB1 ALA A 109 34.036 -1.994 15.602 1.00 0.00 H ATOM 1635 HB2 ALA A 109 33.798 -3.477 16.559 1.00 0.00 H ATOM 1636 HB3 ALA A 109 33.827 -3.560 14.780 1.00 0.00 H ATOM 1637 H ALA A 109 32.071 -2.058 17.659 1.00 0.00 H ATOM 1638 N CYS A 110 30.728 -4.628 14.702 1.00 8.91 N ATOM 1639 CA CYS A 110 30.004 -5.897 14.792 1.00 9.12 C ATOM 1640 C CYS A 110 30.631 -6.950 13.908 1.00 10.20 C ATOM 1641 O CYS A 110 31.266 -6.620 12.903 1.00 10.00 O ATOM 1642 CB CYS A 110 28.544 -5.697 14.404 1.00 10.61 C ATOM 1643 SG CYS A 110 27.695 -4.424 15.381 1.00 11.96 S ATOM 1644 HA CYS A 110 30.060 -6.242 15.824 1.00 0.00 H ATOM 1645 HB2 CYS A 110 28.019 -6.642 14.540 1.00 0.00 H ATOM 1646 HB3 CYS A 110 28.503 -5.409 13.354 1.00 0.00 H ATOM 1647 H CYS A 110 30.819 -4.155 13.780 1.00 0.00 H ATOM 1648 N GLU A 111 30.462 -8.211 14.285 1.00 10.02 N ATOM 1649 CA GLU A 111 31.024 -9.334 13.541 1.00 12.60 C ATOM 1650 C GLU A 111 30.264 -10.623 13.853 1.00 12.44 C ATOM 1651 O GLU A 111 29.513 -10.686 14.820 1.00 12.03 O ATOM 1652 CB GLU A 111 32.510 -9.554 13.922 1.00 13.96 C ATOM 1653 CG GLU A 111 33.477 -8.428 13.521 1.00 17.74 C ATOM 1654 CD GLU A 111 34.943 -8.797 13.703 1.00 22.00 C ATOM 1655 OE1 GLU A 111 35.219 -9.781 14.388 1.00 23.12 O ATOM 1656 OE2 GLU A 111 35.823 -8.104 13.164 1.00 25.82 O ATOM 1657 HA GLU A 111 30.939 -9.096 12.481 1.00 0.00 H ATOM 1658 HB2 GLU A 111 32.564 -9.672 15.004 1.00 0.00 H ATOM 1659 HB3 GLU A 111 32.847 -10.472 13.440 1.00 0.00 H ATOM 1660 HG2 GLU A 111 33.309 -8.185 12.472 1.00 0.00 H ATOM 1661 HG3 GLU A 111 33.262 -7.553 14.134 1.00 0.00 H ATOM 1662 H GLU A 111 29.908 -8.407 15.143 1.00 0.00 H ATOM 1663 N GLY A 112 30.472 -11.631 13.008 1.00 12.91 N ATOM 1664 CA GLY A 112 29.892 -12.950 13.197 1.00 14.43 C ATOM 1665 C GLY A 112 28.476 -13.222 12.746 1.00 15.77 C ATOM 1666 O GLY A 112 27.819 -12.399 12.091 1.00 15.42 O ATOM 1667 HA3 GLY A 112 29.928 -13.160 14.266 1.00 0.00 H ATOM 1668 HA2 GLY A 112 30.533 -13.655 12.667 1.00 0.00 H ATOM 1669 H GLY A 112 31.076 -11.467 12.177 1.00 0.00 H ATOM 1670 N ASN A 113 28.045 -14.447 13.016 1.00 18.50 N ATOM 1671 CA ASN A 113 26.681 -14.879 12.714 1.00 21.67 C ATOM 1672 C ASN A 113 26.200 -15.616 13.970 1.00 21.73 C ATOM 1673 O ASN A 113 26.576 -16.758 14.197 1.00 22.76 O ATOM 1674 CB ASN A 113 26.649 -15.822 11.505 1.00 24.16 C ATOM 1675 CG ASN A 113 25.218 -16.194 11.074 1.00 28.20 C ATOM 1676 OD1 ASN A 113 25.029 -16.785 10.003 1.00 34.82 O ATOM 1677 ND2 ASN A 113 24.214 -15.827 11.872 1.00 27.54 N ATOM 1678 HA ASN A 113 26.046 -14.030 12.462 1.00 0.00 H ATOM 1679 HB2 ASN A 113 27.149 -15.333 10.669 1.00 0.00 H ATOM 1680 HB3 ASN A 113 27.184 -16.736 11.762 1.00 0.00 H ATOM 1681 HD22 ASN A 113 24.413 -15.332 12.765 1.00 0.00 H ATOM 1682 HD21 ASN A 113 23.232 -16.036 11.602 1.00 0.00 H ATOM 1683 H ASN A 113 28.700 -15.124 13.458 1.00 0.00 H ATOM 1684 N PRO A 114 25.281 -15.013 14.747 1.00 22.01 N ATOM 1685 CA PRO A 114 24.636 -13.710 14.564 1.00 20.92 C ATOM 1686 C PRO A 114 25.621 -12.550 14.570 1.00 18.22 C ATOM 1687 O PRO A 114 26.711 -12.640 15.138 1.00 17.80 O ATOM 1688 CB PRO A 114 23.690 -13.623 15.768 1.00 20.66 C ATOM 1689 CG PRO A 114 23.493 -15.040 16.175 1.00 22.08 C ATOM 1690 CD PRO A 114 24.872 -15.593 16.035 1.00 21.87 C ATOM 1691 HA PRO A 114 24.138 -13.636 13.597 1.00 0.00 H ATOM 1692 HD3 PRO A 114 25.520 -15.262 16.847 1.00 0.00 H ATOM 1693 HD2 PRO A 114 24.864 -16.682 15.999 1.00 0.00 H ATOM 1694 HG3 PRO A 114 22.792 -15.549 15.514 1.00 0.00 H ATOM 1695 HG2 PRO A 114 23.139 -15.112 17.203 1.00 0.00 H ATOM 1696 HB2 PRO A 114 24.142 -13.047 16.575 1.00 0.00 H ATOM 1697 HB3 PRO A 114 22.742 -13.166 15.484 1.00 0.00 H ATOM 1698 N TYR A 115 25.231 -11.490 13.876 1.00 16.25 N ATOM 1699 CA TYR A 115 26.021 -10.272 13.764 1.00 15.60 C ATOM 1700 C TYR A 115 25.820 -9.516 15.089 1.00 15.19 C ATOM 1701 O TYR A 115 24.779 -8.891 15.300 1.00 15.78 O ATOM 1702 CB TYR A 115 25.487 -9.472 12.579 1.00 12.68 C ATOM 1703 CG TYR A 115 26.464 -8.504 11.993 1.00 10.78 C ATOM 1704 CD1 TYR A 115 27.739 -8.914 11.623 1.00 8.76 C ATOM 1705 CD2 TYR A 115 26.100 -7.187 11.765 1.00 9.86 C ATOM 1706 CE1 TYR A 115 28.628 -8.031 11.033 1.00 10.32 C ATOM 1707 CE2 TYR A 115 26.978 -6.298 11.182 1.00 9.41 C ATOM 1708 CZ TYR A 115 28.236 -6.731 10.815 1.00 9.15 C ATOM 1709 OH TYR A 115 29.087 -5.860 10.192 1.00 12.44 O ATOM 1710 HA TYR A 115 27.082 -10.458 13.596 1.00 0.00 H ATOM 1711 HB3 TYR A 115 24.612 -8.914 12.912 1.00 0.00 H ATOM 1712 HB2 TYR A 115 25.193 -10.174 11.799 1.00 0.00 H ATOM 1713 HD2 TYR A 115 25.104 -6.848 12.051 1.00 0.00 H ATOM 1714 HE2 TYR A 115 26.681 -5.263 11.013 1.00 0.00 H ATOM 1715 HE1 TYR A 115 29.626 -8.362 10.745 1.00 0.00 H ATOM 1716 HD1 TYR A 115 28.044 -9.945 11.800 1.00 0.00 H ATOM 1717 HH TYR A 115 28.677 -5.548 9.347 1.00 0.00 H ATOM 1718 H TYR A 115 24.314 -11.530 13.387 1.00 0.00 H ATOM 1719 N VAL A 116 26.817 -9.563 15.969 1.00 13.70 N ATOM 1720 CA VAL A 116 26.698 -8.952 17.296 1.00 13.07 C ATOM 1721 C VAL A 116 27.835 -7.998 17.601 1.00 12.85 C ATOM 1722 O VAL A 116 28.875 -8.035 16.935 1.00 12.06 O ATOM 1723 CB VAL A 116 26.653 -10.060 18.424 1.00 14.75 C ATOM 1724 CG1 VAL A 116 25.415 -10.932 18.284 1.00 14.13 C ATOM 1725 CG2 VAL A 116 27.900 -10.938 18.376 1.00 15.20 C ATOM 1726 HA VAL A 116 25.766 -8.386 17.285 1.00 0.00 H ATOM 1727 HB VAL A 116 26.617 -9.545 19.384 1.00 0.00 H ATOM 1728 HG11 VAL A 116 24.523 -10.311 18.368 1.00 0.00 H ATOM 1729 HG12 VAL A 116 25.427 -11.424 17.311 1.00 0.00 H ATOM 1730 HG13 VAL A 116 25.411 -11.684 19.073 1.00 0.00 H ATOM 1731 HG21 VAL A 116 27.960 -11.429 17.405 1.00 0.00 H ATOM 1732 HG22 VAL A 116 28.785 -10.319 18.527 1.00 0.00 H ATOM 1733 HG23 VAL A 116 27.843 -11.691 19.162 1.00 0.00 H ATOM 1734 H VAL A 116 27.701 -10.045 15.709 1.00 0.00 H ATOM 1735 N PRO A 117 27.657 -7.123 18.610 1.00 13.33 N ATOM 1736 CA PRO A 117 28.720 -6.169 18.969 1.00 13.22 C ATOM 1737 C PRO A 117 29.965 -6.889 19.542 1.00 12.81 C ATOM 1738 O PRO A 117 29.828 -7.809 20.350 1.00 12.67 O ATOM 1739 CB PRO A 117 28.038 -5.287 20.028 1.00 14.32 C ATOM 1740 CG PRO A 117 26.559 -5.440 19.755 1.00 12.84 C ATOM 1741 CD PRO A 117 26.426 -6.880 19.393 1.00 13.03 C ATOM 1742 HA PRO A 117 29.098 -5.605 18.116 1.00 0.00 H ATOM 1743 HD3 PRO A 117 26.393 -7.509 20.282 1.00 0.00 H ATOM 1744 HD2 PRO A 117 25.534 -7.055 18.792 1.00 0.00 H ATOM 1745 HG3 PRO A 117 26.245 -4.799 18.931 1.00 0.00 H ATOM 1746 HG2 PRO A 117 25.971 -5.204 20.642 1.00 0.00 H ATOM 1747 HB2 PRO A 117 28.282 -5.633 21.033 1.00 0.00 H ATOM 1748 HB3 PRO A 117 28.344 -4.247 19.918 1.00 0.00 H ATOM 1749 N VAL A 118 31.165 -6.511 19.085 1.00 12.88 N ATOM 1750 CA VAL A 118 32.417 -7.109 19.575 1.00 11.93 C ATOM 1751 C VAL A 118 33.437 -6.059 20.025 1.00 12.07 C ATOM 1752 O VAL A 118 34.471 -6.396 20.597 1.00 13.88 O ATOM 1753 CB VAL A 118 33.117 -8.040 18.530 1.00 11.18 C ATOM 1754 CG1 VAL A 118 32.292 -9.286 18.269 1.00 10.78 C ATOM 1755 CG2 VAL A 118 33.401 -7.298 17.225 1.00 10.67 C ATOM 1756 HA VAL A 118 32.100 -7.709 20.428 1.00 0.00 H ATOM 1757 HB VAL A 118 34.072 -8.348 18.955 1.00 0.00 H ATOM 1758 HG11 VAL A 118 32.166 -9.839 19.200 1.00 0.00 H ATOM 1759 HG12 VAL A 118 31.315 -8.999 17.881 1.00 0.00 H ATOM 1760 HG13 VAL A 118 32.804 -9.913 17.539 1.00 0.00 H ATOM 1761 HG21 VAL A 118 32.463 -6.943 16.799 1.00 0.00 H ATOM 1762 HG22 VAL A 118 34.055 -6.449 17.426 1.00 0.00 H ATOM 1763 HG23 VAL A 118 33.887 -7.975 16.522 1.00 0.00 H ATOM 1764 H VAL A 118 31.214 -5.769 18.358 1.00 0.00 H ATOM 1765 N HIS A 119 33.136 -4.789 19.814 1.00 11.28 N ATOM 1766 CA HIS A 119 34.066 -3.741 20.180 1.00 13.03 C ATOM 1767 C HIS A 119 33.364 -2.400 20.285 1.00 12.50 C ATOM 1768 O HIS A 119 32.488 -2.095 19.483 1.00 13.29 O ATOM 1769 CB HIS A 119 35.195 -3.722 19.136 1.00 16.02 C ATOM 1770 CG HIS A 119 35.836 -2.388 18.921 1.00 22.65 C ATOM 1771 ND1 HIS A 119 37.008 -2.017 19.545 1.00 26.89 N ATOM 1772 CD2 HIS A 119 35.478 -1.337 18.142 1.00 25.78 C ATOM 1773 CE1 HIS A 119 37.337 -0.790 19.172 1.00 26.52 C ATOM 1774 NE2 HIS A 119 36.422 -0.357 18.323 1.00 25.39 N ATOM 1775 HA HIS A 119 34.489 -3.938 21.165 1.00 0.00 H ATOM 1776 HB2 HIS A 119 35.967 -4.420 19.460 1.00 0.00 H ATOM 1777 HB3 HIS A 119 34.781 -4.056 18.184 1.00 0.00 H ATOM 1778 HD2 HIS A 119 34.604 -1.281 17.493 1.00 0.00 H ATOM 1779 HE1 HIS A 119 38.212 -0.233 19.508 1.00 0.00 H ATOM 1780 H HIS A 119 32.223 -4.540 19.381 1.00 0.00 H ATOM 1781 N PHE A 120 33.738 -1.611 21.285 1.00 12.53 N ATOM 1782 CA PHE A 120 33.163 -0.278 21.489 1.00 11.47 C ATOM 1783 C PHE A 120 34.111 0.702 20.777 1.00 11.81 C ATOM 1784 O PHE A 120 35.290 0.769 21.097 1.00 12.80 O ATOM 1785 CB PHE A 120 33.061 0.042 22.994 1.00 10.87 C ATOM 1786 CG PHE A 120 32.170 1.226 23.310 1.00 9.70 C ATOM 1787 CD1 PHE A 120 32.679 2.525 23.323 1.00 11.85 C ATOM 1788 CD2 PHE A 120 30.806 1.042 23.541 1.00 12.14 C ATOM 1789 CE1 PHE A 120 31.839 3.628 23.547 1.00 10.53 C ATOM 1790 CE2 PHE A 120 29.968 2.137 23.768 1.00 12.25 C ATOM 1791 CZ PHE A 120 30.489 3.429 23.767 1.00 10.28 C ATOM 1792 HA PHE A 120 32.152 -0.209 21.088 1.00 0.00 H ATOM 1793 HB2 PHE A 120 32.662 -0.834 23.505 1.00 0.00 H ATOM 1794 HB3 PHE A 120 34.062 0.256 23.369 1.00 0.00 H ATOM 1795 HD2 PHE A 120 30.390 0.034 23.544 1.00 0.00 H ATOM 1796 HE2 PHE A 120 28.904 1.980 23.946 1.00 0.00 H ATOM 1797 HZ PHE A 120 29.833 4.282 23.940 1.00 0.00 H ATOM 1798 HE1 PHE A 120 32.250 4.637 23.547 1.00 0.00 H ATOM 1799 HD1 PHE A 120 33.744 2.686 23.157 1.00 0.00 H ATOM 1800 H PHE A 120 34.465 -1.951 21.947 1.00 0.00 H ATOM 1801 N ASP A 121 33.614 1.451 19.802 1.00 10.99 N ATOM 1802 CA ASP A 121 34.486 2.354 19.066 1.00 11.07 C ATOM 1803 C ASP A 121 34.489 3.787 19.572 1.00 11.80 C ATOM 1804 O ASP A 121 35.556 4.400 19.713 1.00 11.55 O ATOM 1805 CB ASP A 121 34.140 2.327 17.571 1.00 11.30 C ATOM 1806 CG ASP A 121 35.316 2.680 16.691 1.00 15.05 C ATOM 1807 OD1 ASP A 121 36.370 2.024 16.819 1.00 17.43 O ATOM 1808 OD2 ASP A 121 35.191 3.585 15.841 1.00 15.45 O ATOM 1809 HA ASP A 121 35.496 1.980 19.232 1.00 0.00 H ATOM 1810 HB2 ASP A 121 33.798 1.325 17.310 1.00 0.00 H ATOM 1811 HB3 ASP A 121 33.339 3.043 17.386 1.00 0.00 H ATOM 1812 H ASP A 121 32.603 1.393 19.564 1.00 0.00 H ATOM 1813 N ALA A 122 33.304 4.325 19.844 1.00 11.74 N ATOM 1814 CA ALA A 122 33.198 5.707 20.291 1.00 12.40 C ATOM 1815 C ALA A 122 31.786 6.087 20.688 1.00 12.78 C ATOM 1816 O ALA A 122 30.850 5.329 20.503 1.00 11.40 O ATOM 1817 CB ALA A 122 33.642 6.624 19.165 1.00 13.04 C ATOM 1818 HA ALA A 122 33.832 5.813 21.171 1.00 0.00 H ATOM 1819 HB1 ALA A 122 34.676 6.400 18.902 1.00 0.00 H ATOM 1820 HB2 ALA A 122 33.002 6.467 18.297 1.00 0.00 H ATOM 1821 HB3 ALA A 122 33.566 7.661 19.491 1.00 0.00 H ATOM 1822 H ALA A 122 32.443 3.752 19.736 1.00 0.00 H ATOM 1823 N SER A 123 31.654 7.269 21.264 1.00 14.93 N ATOM 1824 CA SER A 123 30.358 7.799 21.629 1.00 17.12 C ATOM 1825 C SER A 123 30.372 9.210 21.042 1.00 18.65 C ATOM 1826 O SER A 123 31.420 9.858 20.973 1.00 19.29 O ATOM 1827 CB SER A 123 30.133 7.773 23.144 1.00 17.35 C ATOM 1828 OG SER A 123 31.083 8.561 23.825 1.00 21.67 O ATOM 1829 HA SER A 123 29.528 7.208 21.243 1.00 0.00 H ATOM 1830 HB2 SER A 123 30.210 6.744 23.495 1.00 0.00 H ATOM 1831 HB3 SER A 123 29.136 8.156 23.360 1.00 0.00 H ATOM 1832 HG SER A 123 31.992 8.215 23.638 1.00 0.00 H ATOM 1833 H SER A 123 32.505 7.834 21.460 1.00 0.00 H ATOM 1834 N VAL A 124 29.215 9.664 20.587 1.00 19.71 N ATOM 1835 CA VAL A 124 29.094 10.958 19.935 1.00 21.71 C ATOM 1836 C VAL A 124 27.778 11.620 20.319 1.00 21.75 C ATOM 1837 O VAL A 124 26.805 10.900 20.617 1.00 20.69 O ATOM 1838 CB VAL A 124 29.151 10.763 18.390 1.00 22.69 C ATOM 1839 CG1 VAL A 124 28.086 9.764 17.937 1.00 24.73 C ATOM 1840 CG2 VAL A 124 28.968 12.076 17.675 1.00 26.12 C ATOM 1841 HA VAL A 124 29.916 11.598 20.256 1.00 0.00 H ATOM 1842 OXT VAL A 124 27.738 12.860 20.326 1.00 25.52 O ATOM 1843 HB VAL A 124 30.135 10.368 18.136 1.00 0.00 H ATOM 1844 HG11 VAL A 124 28.260 8.804 18.422 1.00 0.00 H ATOM 1845 HG12 VAL A 124 27.099 10.137 18.211 1.00 0.00 H ATOM 1846 HG13 VAL A 124 28.142 9.641 16.855 1.00 0.00 H ATOM 1847 HG21 VAL A 124 28.000 12.500 17.940 1.00 0.00 H ATOM 1848 HG22 VAL A 124 29.760 12.763 17.971 1.00 0.00 H ATOM 1849 HG23 VAL A 124 29.012 11.911 16.598 1.00 0.00 H ATOM 1850 H VAL A 124 28.365 9.076 20.700 1.00 0.00 H TER 1851 VAL A 124 HETATM 1852 O HOH 1 28.164 -8.796 22.448 1.00 18.13 O HETATM 1853 O HOH 2 25.765 -10.271 22.331 1.00 26.41 O HETATM 1854 O HOH 3 31.472 -14.218 19.506 1.00 34.71 O HETATM 1855 O HOH 4 24.748 -5.946 32.514 1.00 36.45 O HETATM 1856 O HOH 5 35.185 6.039 40.365 1.00 26.89 O HETATM 1857 O HOH 6 47.120 2.751 32.832 1.00 34.38 O HETATM 1858 O HOH 7 48.753 0.619 34.615 1.00 20.18 O HETATM 1859 O HOH 8 35.419 1.846 25.750 1.00 17.76 O HETATM 1860 O HOH 9 17.410 -0.316 26.888 1.00 23.23 O HETATM 1861 O HOH 10 18.781 -0.082 19.717 1.00 19.44 O HETATM 1862 O HOH 11 23.676 -4.645 9.422 1.00 27.26 O HETATM 1863 O HOH 12 19.306 0.985 9.350 1.00 19.82 O HETATM 1864 O HOH 13 31.504 8.497 9.131 1.00 25.35 O HETATM 1865 O HOH 14 33.987 5.561 14.673 1.00 17.90 O HETATM 1866 O HOH 15 38.419 0.994 15.422 1.00 16.88 O HETATM 1867 O HOH 16 18.700 3.489 18.284 1.00 30.81 O HETATM 1868 O HOH 17 49.459 2.536 36.726 1.00 34.30 O HETATM 1869 O HOH 18 35.228 10.406 33.127 1.00 22.30 O HETATM 1870 O HOH 19 27.610 14.875 31.276 1.00 43.04 O HETATM 1871 O HOH 20 32.087 -7.473 10.168 1.00 10.34 O HETATM 1872 O HOH 21 34.900 -7.618 10.157 1.00 15.12 O HETATM 1873 O HOH 22 22.550 -11.867 12.199 1.00 39.63 O HETATM 1874 O HOH 23 30.706 -12.643 16.960 1.00 32.99 O HETATM 1875 O HOH 24 28.465 -14.390 16.640 1.00 27.19 O HETATM 1876 O HOH 25 34.914 -5.375 23.763 1.00 17.23 O HETATM 1877 O HOH 26 35.323 -8.312 22.324 1.00 23.23 O HETATM 1878 O HOH 27 29.063 -15.653 23.261 1.00 52.78 O HETATM 1879 O HOH 28 29.494 3.957 46.527 1.00 42.40 O HETATM 1880 O HOH 29 38.462 -8.373 14.035 1.00 36.85 O HETATM 1881 O HOH 30 26.113 -12.591 9.880 1.00 22.44 O HETATM 1882 O HOH 31 30.709 -12.188 29.756 1.00 51.59 O HETATM 1883 O HOH 32 33.025 7.691 11.307 1.00 19.90 O HETATM 1884 O HOH 33 38.472 3.413 19.348 1.00 37.88 O HETATM 1885 O HOH 34 32.648 7.155 25.458 1.00 32.96 O HETATM 1886 O HOH 35 40.545 1.388 16.771 1.00 36.34 O HETATM 1887 O HOH 36 31.398 7.073 6.987 1.00 29.45 O HETATM 1888 O HOH 37 34.006 10.360 19.811 1.00 36.25 O HETATM 1889 O HOH 38 34.903 -14.878 19.198 1.00 46.40 O HETATM 1890 O HOH 39 37.184 -11.289 14.210 1.00 44.03 O HETATM 1891 O HOH 40 34.226 8.658 21.983 1.00 47.23 O HETATM 1892 O HOH 41 23.395 -13.570 19.892 1.00 50.97 O HETATM 1893 O HOH 42 22.493 10.782 9.032 1.00 33.54 O HETATM 1894 O HOH 43 14.658 -4.549 25.707 1.00 52.70 O HETATM 1895 O HOH 44 25.229 5.202 6.209 1.00 40.33 O HETATM 1896 O HOH 45 28.490 7.144 7.024 1.00 49.21 O HETATM 1897 O HOH 46 40.275 -16.408 27.400 1.00 54.61 O HETATM 1898 O HOH 47 30.696 -15.351 16.675 1.00 61.62 O HETATM 1899 O HOH 48 43.139 -1.433 22.769 1.00 43.38 O HETATM 1900 O HOH 49 17.919 4.702 24.127 1.00 51.86 O HETATM 1901 O HOH 50 32.858 -13.615 30.260 1.00 43.52 O HETATM 1902 O HOH 51 32.378 -15.801 29.039 1.00 40.75 O HETATM 1903 O HOH 52 34.415 -11.539 16.087 1.00 48.04 O HETATM 1904 O HOH 53 32.772 -17.131 26.210 1.00 45.74 O HETATM 1905 O HOH 54 25.021 14.168 28.236 1.00 47.61 O HETATM 1906 O HOH 55 19.132 8.084 26.948 1.00 42.77 O HETATM 1907 O HOH 56 22.802 12.845 10.148 1.00 51.94 O HETATM 1908 O HOH 57 21.239 -13.147 19.230 1.00 49.89 O HETATM 1909 O HOH 58 23.053 -7.177 29.657 1.00 35.97 O HETATM 1910 O HOH 59 40.369 0.008 20.174 1.00 44.36 O HETATM 1911 O HOH 60 41.143 -6.099 16.862 1.00 38.59 O HETATM 1912 O HOH 61 39.989 -3.900 18.792 1.00 34.30 O HETATM 1913 O HOH 62 27.297 15.087 27.298 1.00 52.40 O HETATM 1914 O HOH 63 36.566 7.998 44.792 1.00 37.85 O HETATM 1915 O HOH 64 17.305 10.656 27.300 1.00 53.10 O HETATM 1916 O HOH 65 32.035 -9.626 37.510 1.00 51.48 O HETATM 1917 O HOH 66 30.309 -6.620 37.880 1.00 35.03 O HETATM 1918 O HOH 67 39.692 -12.505 37.198 1.00 45.06 O HETATM 1919 PB ATR A 68 37.241 -2.786 23.066 1.00 0.21 P HETATM 1920 O3A ATR A 68 37.564 -4.325 22.985 1.00 -0.15 O HETATM 1921 PA ATR A 68 38.965 -5.325 22.760 1.00 0.33 P HETATM 1922 O5' ATR A 68 39.291 -5.001 21.157 1.00 -0.24 O HETATM 1923 C5' ATR A 68 38.008 -5.048 20.509 1.00 0.11 C HETATM 1924 C4' ATR A 68 37.768 -6.304 19.848 1.00 0.12 C HETATM 1925 C3' ATR A 68 38.946 -7.041 19.057 1.00 0.12 C HETATM 1926 C2' ATR A 68 38.108 -7.472 17.868 1.00 0.17 C HETATM 1927 C1' ATR A 68 36.947 -6.480 17.756 1.00 0.21 C HETATM 1928 O4' ATR A 68 36.874 -5.722 18.930 1.00 -0.34 O HETATM 1929 N9 ATR A 68 36.905 -5.648 16.467 1.00 -0.19 N HETATM 1930 C4 ATR A 68 37.354 -4.343 16.162 1.00 0.16 C HETATM 1931 C5 ATR A 68 36.796 -4.054 14.909 1.00 0.10 C HETATM 1932 N7 ATR A 68 36.017 -5.159 14.405 1.00 -0.30 N HETATM 1933 C8 ATR A 68 36.134 -6.034 15.355 1.00 0.11 C HETATM 1934 H8 ATR A 68 35.662 -7.013 15.295 1.00 0.13 H HETATM 1935 C6 ATR A 68 37.043 -2.740 14.385 1.00 0.13 C HETATM 1936 N1 ATR A 68 37.794 -1.890 15.179 1.00 -0.27 N HETATM 1937 C2 ATR A 68 38.267 -2.318 16.346 1.00 0.05 C HETATM 1938 N3 ATR A 68 38.125 -3.494 16.933 1.00 -0.27 N HETATM 1939 H11 ATR A 68 38.857 -1.595 16.898 1.00 0.10 H HETATM 1940 N6 ATR A 68 36.628 -2.386 13.143 1.00 -0.32 N HETATM 1941 H9 ATR A 68 36.816 -1.438 12.788 1.00 0.18 H HETATM 1942 H10 ATR A 68 36.124 -3.066 12.555 1.00 0.18 H HETATM 1943 H7 ATR A 68 36.032 -7.090 17.729 1.00 0.10 H HETATM 1944 O2' ATR A 68 37.476 -8.698 18.180 1.00 -0.26 O HETATM 1945 P2' ATR A 68 36.704 -9.460 16.942 1.00 0.20 P HETATM 1946 O3P ATR A 68 36.362 -10.597 17.850 1.00 -0.55 O HETATM 1947 O2P ATR A 68 37.779 -9.688 15.918 1.00 -0.55 O HETATM 1948 O1P ATR A 68 35.579 -8.594 16.496 1.00 -0.55 O HETATM 1949 H6 ATR A 68 38.707 -7.532 16.947 1.00 0.07 H HETATM 1950 O3' ATR A 68 39.537 -8.285 19.694 1.00 -0.39 O HETATM 1951 H5 ATR A 68 38.835 -8.858 19.979 1.00 0.21 H HETATM 1952 H4 ATR A 68 39.756 -6.344 18.796 1.00 0.07 H HETATM 1953 H3 ATR A 68 37.299 -7.032 20.526 1.00 0.07 H HETATM 1954 H1 ATR A 68 37.961 -4.242 19.762 1.00 0.06 H HETATM 1955 H2 ATR A 68 37.225 -4.893 21.266 1.00 0.06 H HETATM 1956 O2A ATR A 68 40.197 -4.969 23.613 1.00 -0.56 O HETATM 1957 O1A ATR A 68 38.398 -6.729 22.747 1.00 -0.56 O HETATM 1958 O3B ATR A 68 37.813 -2.183 21.857 1.00 -0.59 O HETATM 1959 O2B ATR A 68 35.775 -2.898 23.126 1.00 -0.59 O HETATM 1960 O1B ATR A 68 37.837 -2.284 24.299 1.00 -0.59 O CONECT 1 2 22 23 24 CONECT 22 1 CONECT 23 1 CONECT 24 1 CONECT 365 364 1246 CONECT 602 601 1409 CONECT 870 869 1643 CONECT 970 969 1068 CONECT 1068 970 1067 CONECT 1246 365 1245 CONECT 1409 602 1408 CONECT 1643 870 1642 CONECT 1919 1920 1958 1959 1960 CONECT 1920 1919 1921 CONECT 1921 1920 1922 1956 1957 CONECT 1922 1921 1923 CONECT 1923 1922 1924 1954 1955 CONECT 1924 1923 1925 1928 1953 CONECT 1925 1924 1926 1950 1952 CONECT 1926 1925 1927 1944 1949 CONECT 1927 1926 1928 1929 1943 CONECT 1928 1924 1927 CONECT 1929 1927 1930 1933 CONECT 1930 1929 1931 1938 CONECT 1931 1930 1932 1935 CONECT 1932 1931 1933 CONECT 1933 1929 1932 1934 CONECT 1934 1933 CONECT 1935 1931 1936 1940 CONECT 1936 1935 1937 CONECT 1937 1936 1938 1939 CONECT 1938 1930 1937 CONECT 1939 1937 CONECT 1940 1935 1941 1942 CONECT 1941 1940 CONECT 1942 1940 CONECT 1943 1927 CONECT 1944 1926 1945 CONECT 1945 1944 1946 1947 1948 CONECT 1946 1945 CONECT 1947 1945 CONECT 1948 1945 CONECT 1949 1926 CONECT 1950 1925 1951 CONECT 1951 1950 CONECT 1952 1925 CONECT 1953 1924 CONECT 1954 1923 CONECT 1955 1923 CONECT 1956 1921 CONECT 1957 1921 CONECT 1958 1919 CONECT 1959 1919 CONECT 1960 1919 MASTER 0 0 0 0 0 0 0 0 1959 1 54 10 END
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
1afl
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
ribonuclease a
Ligand Name
ATR
EC.Number
E.C.3.1.27.5
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
Ki=520nM
Release Year
1998
Protein/NA Sequence
Check fasta file
Primary Reference
Biochemistry v36 pp. 5578-88, 1997
Ligand Properties
Formula
C
1
0
H
1
9
N
5
O
1
3
P
3
Molecular Weight
510.205
Exact Mass
510.019
No. of atoms
50
No. of bonds
52
Polar Surface Area
329.38
LOGP Value
-6.15 (
Computed with XLOGP3
)
-2.36 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 18
No. of Rings: 3
Canonical SMILES
O[C@@H]1[C@@H](COP(OP(O)(O)O)(O)O)O[C@H]([C@@H]1OP(O)(O)O)n1cnc2c1ncnc2N
InChI String
InChI=1S/C10H22N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(27-29(17,18)19)6(16)4(26-10)1-25-31(23,24)28-30(20,21)22/h2-4,6-7,10,16-24,29-31H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/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):
P61823
Entrez Gene ID
NCBI Entrez Gene ID:
282340
ASD
Information of known allosteric effects of PDB entries
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