Browse entries in the PDBbind-CN Database
HEADER 3DXH_COMPLEX COMPND 3DXH_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 UDP A 294 36 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 34.367 21.706 10.035 1.00 27.98 N ATOM 2 CA LYS A 1 35.137 20.441 10.194 1.00 27.58 C ATOM 3 C LYS A 1 34.187 19.283 10.482 1.00 26.40 C ATOM 4 O LYS A 1 33.079 19.486 10.980 1.00 26.58 O ATOM 5 CB LYS A 1 36.174 20.578 11.311 1.00 27.73 C ATOM 6 CG LYS A 1 35.575 20.927 12.662 1.00 28.54 C ATOM 7 CD LYS A 1 36.634 21.094 13.740 1.00 29.05 C ATOM 8 CE LYS A 1 35.983 21.422 15.074 1.00 30.26 C ATOM 9 NZ LYS A 1 34.942 20.426 15.480 1.00 32.04 N ATOM 10 HA LYS A 1 35.667 20.235 9.264 1.00 0.00 H ATOM 11 HB2 LYS A 1 36.706 19.631 11.405 1.00 0.00 H ATOM 12 HB3 LYS A 1 36.877 21.363 11.033 1.00 0.00 H ATOM 13 HG2 LYS A 1 35.020 21.860 12.569 1.00 0.00 H ATOM 14 HG3 LYS A 1 34.894 20.129 12.960 1.00 0.00 H ATOM 15 HD2 LYS A 1 37.201 20.168 13.834 1.00 0.00 H ATOM 16 HD3 LYS A 1 37.308 21.904 13.460 1.00 0.00 H ATOM 17 HE2 LYS A 1 35.514 22.403 15.000 1.00 0.00 H ATOM 18 HE3 LYS A 1 36.757 21.448 15.841 1.00 0.00 H ATOM 19 HZ1 LYS A 1 34.191 20.398 14.761 1.00 0.00 H ATOM 20 HZ2 LYS A 1 35.378 19.486 15.564 1.00 0.00 H ATOM 21 HZ3 LYS A 1 34.536 20.705 16.396 1.00 0.00 H ATOM 22 HN3 LYS A 1 33.842 21.903 10.911 1.00 0.00 H ATOM 23 HN2 LYS A 1 33.699 21.607 9.244 1.00 0.00 H ATOM 24 HN1 LYS A 1 35.024 22.488 9.839 1.00 0.00 H ATOM 25 N GLU A 2 34.628 18.074 10.149 1.00 25.28 N ATOM 26 CA GLU A 2 33.823 16.871 10.312 1.00 23.79 C ATOM 27 C GLU A 2 33.785 16.429 11.770 1.00 23.16 C ATOM 28 O GLU A 2 34.824 16.150 12.370 1.00 23.74 O ATOM 29 CB GLU A 2 34.379 15.746 9.429 1.00 23.93 C ATOM 30 CG GLU A 2 33.516 14.487 9.385 1.00 22.95 C ATOM 31 CD GLU A 2 34.094 13.391 8.492 1.00 22.73 C ATOM 32 OE1 GLU A 2 35.264 13.019 8.691 1.00 21.21 O ATOM 33 OE2 GLU A 2 33.357 12.885 7.621 1.00 21.49 O ATOM 34 HA GLU A 2 32.802 17.097 10.003 1.00 0.00 H ATOM 35 HB2 GLU A 2 34.476 16.128 8.413 1.00 0.00 H ATOM 36 HB3 GLU A 2 35.363 15.471 9.808 1.00 0.00 H ATOM 37 HG2 GLU A 2 33.423 14.095 10.398 1.00 0.00 H ATOM 38 HG3 GLU A 2 32.529 14.756 9.008 1.00 0.00 H ATOM 39 H GLU A 2 35.587 17.983 9.756 1.00 0.00 H ATOM 40 N THR A 3 32.575 16.367 12.319 1.00 21.84 N ATOM 41 CA THR A 3 32.344 15.849 13.672 1.00 21.05 C ATOM 42 C THR A 3 32.625 14.337 13.731 1.00 19.93 C ATOM 43 O THR A 3 32.647 13.653 12.695 1.00 20.07 O ATOM 44 CB THR A 3 30.890 16.128 14.129 1.00 20.88 C ATOM 45 OG1 THR A 3 29.991 15.278 13.406 1.00 20.69 O ATOM 46 CG2 THR A 3 30.516 17.599 13.892 1.00 22.46 C ATOM 47 HA THR A 3 33.029 16.363 14.346 1.00 0.00 H ATOM 48 HB THR A 3 30.814 15.922 15.197 1.00 0.00 H ATOM 49 HG1 THR A 3 29.062 15.457 13.699 1.00 0.00 H ATOM 50 HG23 THR A 3 31.203 18.241 14.444 1.00 0.00 H ATOM 51 HG21 THR A 3 30.584 17.823 12.827 1.00 0.00 H ATOM 52 HG22 THR A 3 29.497 17.774 14.237 1.00 0.00 H ATOM 53 H THR A 3 31.759 16.699 11.766 1.00 0.00 H ATOM 54 N ALA A 4 32.844 13.822 14.943 1.00 19.59 N ATOM 55 CA ALA A 4 33.020 12.389 15.161 1.00 18.41 C ATOM 56 C ALA A 4 31.798 11.610 14.671 1.00 17.20 C ATOM 57 O ALA A 4 31.935 10.562 14.057 1.00 17.12 O ATOM 58 CB ALA A 4 33.248 12.122 16.626 1.00 18.51 C ATOM 59 HA ALA A 4 33.888 12.056 14.593 1.00 0.00 H ATOM 60 HB1 ALA A 4 34.143 12.651 16.955 1.00 0.00 H ATOM 61 HB2 ALA A 4 32.387 12.472 17.196 1.00 0.00 H ATOM 62 HB3 ALA A 4 33.379 11.051 16.783 1.00 0.00 H ATOM 63 H ALA A 4 32.891 14.464 15.760 1.00 0.00 H ATOM 64 N ALA A 5 30.612 12.157 14.926 1.00 16.66 N ATOM 65 CA ALA A 5 29.360 11.557 14.461 1.00 15.68 C ATOM 66 C ALA A 5 29.293 11.490 12.937 1.00 14.81 C ATOM 67 O ALA A 5 28.881 10.469 12.376 1.00 13.95 O ATOM 68 CB ALA A 5 28.153 12.331 15.007 1.00 16.30 C ATOM 69 HA ALA A 5 29.331 10.536 14.842 1.00 0.00 H ATOM 70 HB1 ALA A 5 28.172 12.309 16.097 1.00 0.00 H ATOM 71 HB2 ALA A 5 28.199 13.364 14.662 1.00 0.00 H ATOM 72 HB3 ALA A 5 27.234 11.868 14.649 1.00 0.00 H ATOM 73 H ALA A 5 30.573 13.040 15.474 1.00 0.00 H ATOM 74 N ALA A 6 29.704 12.583 12.285 1.00 15.19 N ATOM 75 CA ALA A 6 29.692 12.655 10.826 1.00 14.97 C ATOM 76 C ALA A 6 30.693 11.679 10.205 1.00 14.71 C ATOM 77 O ALA A 6 30.394 11.030 9.206 1.00 15.35 O ATOM 78 CB ALA A 6 29.972 14.092 10.357 1.00 15.83 C ATOM 79 HA ALA A 6 28.698 12.364 10.487 1.00 0.00 H ATOM 80 HB1 ALA A 6 29.205 14.758 10.752 1.00 0.00 H ATOM 81 HB2 ALA A 6 30.950 14.407 10.720 1.00 0.00 H ATOM 82 HB3 ALA A 6 29.959 14.126 9.268 1.00 0.00 H ATOM 83 H ALA A 6 30.041 13.402 12.830 1.00 0.00 H ATOM 84 N LYS A 7 31.873 11.576 10.805 1.00 15.02 N ATOM 85 CA LYS A 7 32.851 10.591 10.367 1.00 15.19 C ATOM 86 C LYS A 7 32.323 9.161 10.476 1.00 14.15 C ATOM 87 O LYS A 7 32.555 8.345 9.583 1.00 14.46 O ATOM 88 CB LYS A 7 34.160 10.739 11.126 1.00 16.37 C ATOM 89 CG LYS A 7 35.228 9.801 10.625 1.00 19.69 C ATOM 90 CD LYS A 7 36.557 10.110 11.259 1.00 24.49 C ATOM 91 CE LYS A 7 37.582 9.053 10.928 1.00 27.16 C ATOM 92 NZ LYS A 7 38.952 9.538 11.248 1.00 29.03 N ATOM 93 HA LYS A 7 33.040 10.787 9.312 1.00 0.00 H ATOM 94 HB2 LYS A 7 34.515 11.764 11.015 1.00 0.00 H ATOM 95 HB3 LYS A 7 33.978 10.531 12.180 1.00 0.00 H ATOM 96 HG2 LYS A 7 34.946 8.777 10.868 1.00 0.00 H ATOM 97 HG3 LYS A 7 35.316 9.905 9.544 1.00 0.00 H ATOM 98 HD2 LYS A 7 36.910 11.074 10.893 1.00 0.00 H ATOM 99 HD3 LYS A 7 36.432 10.157 12.341 1.00 0.00 H ATOM 100 HE2 LYS A 7 37.524 8.817 9.866 1.00 0.00 H ATOM 101 HE3 LYS A 7 37.374 8.156 11.511 1.00 0.00 H ATOM 102 HZ1 LYS A 7 39.155 10.393 10.691 1.00 0.00 H ATOM 103 HZ2 LYS A 7 39.011 9.761 12.262 1.00 0.00 H ATOM 104 HZ3 LYS A 7 39.644 8.798 11.014 1.00 0.00 H ATOM 105 H LYS A 7 32.102 12.208 11.599 1.00 0.00 H ATOM 106 N PHE A 8 31.574 8.863 11.550 1.00 12.48 N ATOM 107 CA PHE A 8 30.986 7.540 11.681 1.00 12.18 C ATOM 108 C PHE A 8 30.018 7.298 10.525 1.00 11.90 C ATOM 109 O PHE A 8 30.014 6.220 9.914 1.00 11.24 O ATOM 110 CB PHE A 8 30.302 7.344 13.047 1.00 11.22 C ATOM 111 CG PHE A 8 29.573 6.034 13.163 1.00 10.43 C ATOM 112 CD1 PHE A 8 28.257 5.924 12.728 1.00 11.01 C ATOM 113 CD2 PHE A 8 30.212 4.896 13.693 1.00 9.67 C ATOM 114 CE1 PHE A 8 27.586 4.722 12.782 1.00 10.36 C ATOM 115 CE2 PHE A 8 29.541 3.692 13.786 1.00 9.60 C ATOM 116 CZ PHE A 8 28.226 3.592 13.314 1.00 9.91 C ATOM 117 HA PHE A 8 31.785 6.800 11.634 1.00 0.00 H ATOM 118 HB2 PHE A 8 31.064 7.387 13.825 1.00 0.00 H ATOM 119 HB3 PHE A 8 29.587 8.153 13.196 1.00 0.00 H ATOM 120 HD2 PHE A 8 31.245 4.966 14.033 1.00 0.00 H ATOM 121 HE2 PHE A 8 30.033 2.824 14.225 1.00 0.00 H ATOM 122 HZ PHE A 8 27.701 2.638 13.360 1.00 0.00 H ATOM 123 HE1 PHE A 8 26.563 4.649 12.413 1.00 0.00 H ATOM 124 HD1 PHE A 8 27.747 6.805 12.337 1.00 0.00 H ATOM 125 H PHE A 8 31.415 9.578 12.288 1.00 0.00 H ATOM 126 N GLU A 9 29.208 8.308 10.200 1.00 12.65 N ATOM 127 CA GLU A 9 28.266 8.152 9.099 1.00 13.43 C ATOM 128 C GLU A 9 28.977 7.924 7.749 1.00 12.63 C ATOM 129 O GLU A 9 28.592 7.052 6.970 1.00 13.02 O ATOM 130 CB GLU A 9 27.322 9.353 9.020 1.00 12.98 C ATOM 131 CG GLU A 9 26.400 9.476 10.244 1.00 14.25 C ATOM 132 CD GLU A 9 25.280 10.485 10.075 1.00 15.52 C ATOM 133 OE1 GLU A 9 24.769 10.670 8.939 1.00 19.12 O ATOM 134 OE2 GLU A 9 24.902 11.100 11.089 1.00 18.70 O ATOM 135 HA GLU A 9 27.677 7.258 9.305 1.00 0.00 H ATOM 136 HB2 GLU A 9 27.920 10.261 8.943 1.00 0.00 H ATOM 137 HB3 GLU A 9 26.704 9.251 8.128 1.00 0.00 H ATOM 138 HG2 GLU A 9 25.956 8.500 10.438 1.00 0.00 H ATOM 139 HG3 GLU A 9 27.005 9.775 11.100 1.00 0.00 H ATOM 140 H GLU A 9 29.249 9.202 10.730 1.00 0.00 H ATOM 141 N ARG A 10 30.058 8.661 7.533 1.00 13.42 N ATOM 142 CA ARG A 10 30.810 8.534 6.275 1.00 14.53 C ATOM 143 C ARG A 10 31.490 7.157 6.195 1.00 14.68 C ATOM 144 O ARG A 10 31.492 6.500 5.159 1.00 14.35 O ATOM 145 CB ARG A 10 31.857 9.638 6.170 1.00 15.68 C ATOM 146 CG ARG A 10 32.769 9.482 4.951 1.00 17.12 C ATOM 147 CD ARG A 10 33.682 10.674 4.742 1.00 19.72 C ATOM 148 NE ARG A 10 34.540 10.943 5.888 1.00 18.77 N ATOM 149 CZ ARG A 10 35.688 10.335 6.170 1.00 20.62 C ATOM 150 NH1 ARG A 10 36.165 9.375 5.384 1.00 21.28 N ATOM 151 NH2 ARG A 10 36.362 10.682 7.257 1.00 21.47 N ATOM 152 HA ARG A 10 30.111 8.630 5.444 1.00 0.00 H ATOM 153 HB2 ARG A 10 31.345 10.598 6.101 1.00 0.00 H ATOM 154 HB3 ARG A 10 32.473 9.620 7.069 1.00 0.00 H ATOM 155 HG2 ARG A 10 33.384 8.592 5.088 1.00 0.00 H ATOM 156 HG3 ARG A 10 32.147 9.360 4.064 1.00 0.00 H ATOM 157 HD2 ARG A 10 33.067 11.554 4.554 1.00 0.00 H ATOM 158 HD3 ARG A 10 34.312 10.481 3.874 1.00 0.00 H ATOM 159 HE ARG A 10 34.224 11.681 6.549 1.00 0.00 H ATOM 160 HH12 ARG A 10 37.065 8.910 5.619 1.00 0.00 H ATOM 161 HH11 ARG A 10 35.638 9.089 4.534 1.00 0.00 H ATOM 162 HH22 ARG A 10 37.261 10.211 7.484 1.00 0.00 H ATOM 163 HH21 ARG A 10 35.992 11.426 7.883 1.00 0.00 H ATOM 164 H ARG A 10 30.377 9.334 8.259 1.00 0.00 H ATOM 165 N GLN A 11 32.055 6.710 7.310 1.00 14.38 N ATOM 166 CA GLN A 11 32.813 5.466 7.299 1.00 14.52 C ATOM 167 C GLN A 11 31.954 4.221 7.373 1.00 13.42 C ATOM 168 O GLN A 11 32.355 3.166 6.888 1.00 14.68 O ATOM 169 CB GLN A 11 33.798 5.439 8.443 1.00 15.40 C ATOM 170 CG GLN A 11 34.934 6.405 8.324 1.00 18.24 C ATOM 171 CD GLN A 11 36.042 5.998 9.260 1.00 22.60 C ATOM 172 OE1 GLN A 11 37.100 5.506 8.838 1.00 26.08 O ATOM 173 NE2 GLN A 11 35.787 6.136 10.543 1.00 22.97 N ATOM 174 HA GLN A 11 33.327 5.450 6.338 1.00 0.00 H ATOM 175 HB2 GLN A 11 33.256 5.666 9.361 1.00 0.00 H ATOM 176 HB3 GLN A 11 34.214 4.434 8.507 1.00 0.00 H ATOM 177 HG2 GLN A 11 35.306 6.404 7.299 1.00 0.00 H ATOM 178 HG3 GLN A 11 34.589 7.406 8.583 1.00 0.00 H ATOM 179 HE22 GLN A 11 34.886 6.554 10.852 1.00 0.00 H ATOM 180 HE21 GLN A 11 36.486 5.827 11.248 1.00 0.00 H ATOM 181 H GLN A 11 31.956 7.249 8.194 1.00 0.00 H ATOM 182 N HIS A 12 30.775 4.327 7.983 1.00 12.49 N ATOM 183 CA HIS A 12 30.065 3.120 8.382 1.00 12.67 C ATOM 184 C HIS A 12 28.606 3.049 8.009 1.00 13.22 C ATOM 185 O HIS A 12 28.009 2.000 8.174 1.00 14.50 O ATOM 186 CB HIS A 12 30.209 2.857 9.892 1.00 12.01 C ATOM 187 CG HIS A 12 31.625 2.680 10.330 1.00 10.92 C ATOM 188 ND1 HIS A 12 32.395 1.607 9.938 1.00 9.89 N ATOM 189 CD2 HIS A 12 32.410 3.440 11.128 1.00 10.92 C ATOM 190 CE1 HIS A 12 33.603 1.720 10.472 1.00 10.51 C ATOM 191 NE2 HIS A 12 33.642 2.835 11.181 1.00 10.76 N ATOM 192 HA HIS A 12 30.557 2.343 7.797 1.00 0.00 H ATOM 193 HB2 HIS A 12 29.783 3.702 10.433 1.00 0.00 H ATOM 194 HB3 HIS A 12 29.655 1.952 10.140 1.00 0.00 H ATOM 195 HD2 HIS A 12 32.119 4.360 11.634 1.00 0.00 H ATOM 196 HE1 HIS A 12 34.424 1.014 10.348 1.00 0.00 H ATOM 197 H HIS A 12 30.365 5.264 8.173 1.00 0.00 H ATOM 198 N MET A 13 28.022 4.149 7.540 1.00 14.30 N ATOM 199 CA MET A 13 26.614 4.109 7.173 1.00 15.19 C ATOM 200 C MET A 13 26.389 3.949 5.672 1.00 15.88 C ATOM 201 O MET A 13 26.967 4.690 4.879 1.00 16.98 O ATOM 202 CB MET A 13 25.873 5.344 7.684 1.00 14.71 C ATOM 203 CG MET A 13 25.695 5.380 9.218 1.00 14.75 C ATOM 204 SD MET A 13 24.707 4.037 9.951 1.00 15.50 S ATOM 205 CE MET A 13 23.175 4.190 9.043 1.00 16.96 C ATOM 206 HA MET A 13 26.207 3.221 7.656 1.00 0.00 H ATOM 207 HB2 MET A 13 26.433 6.229 7.383 1.00 0.00 H ATOM 208 HB3 MET A 13 24.885 5.366 7.223 1.00 0.00 H ATOM 209 HG2 MET A 13 25.214 6.324 9.474 1.00 0.00 H ATOM 210 HG3 MET A 13 26.687 5.346 9.668 1.00 0.00 H ATOM 211 HE1 MET A 13 22.751 5.180 9.212 1.00 0.00 H ATOM 212 HE2 MET A 13 23.369 4.053 7.979 1.00 0.00 H ATOM 213 HE3 MET A 13 22.473 3.430 9.386 1.00 0.00 H ATOM 214 H MET A 13 28.567 5.029 7.437 1.00 0.00 H ATOM 215 N ASP A 14 25.577 2.973 5.289 1.00 16.08 N ATOM 216 CA ASP A 14 25.096 2.911 3.903 1.00 16.16 C ATOM 217 C ASP A 14 23.658 2.438 3.887 1.00 15.08 C ATOM 218 O ASP A 14 23.366 1.296 3.548 1.00 15.04 O ATOM 219 CB ASP A 14 25.963 1.993 3.021 1.00 17.27 C ATOM 220 CG ASP A 14 25.459 1.917 1.561 1.00 19.20 C ATOM 221 OD1 ASP A 14 24.637 2.769 1.160 1.00 21.68 O ATOM 222 OD2 ASP A 14 25.859 0.993 0.821 1.00 19.42 O ATOM 223 HA ASP A 14 25.165 3.915 3.485 1.00 0.00 H ATOM 224 HB2 ASP A 14 26.984 2.375 3.018 1.00 0.00 H ATOM 225 HB3 ASP A 14 25.953 0.989 3.446 1.00 0.00 H ATOM 226 H ASP A 14 25.280 2.248 5.973 1.00 0.00 H ATOM 227 N SER A 15 22.748 3.342 4.221 1.00 15.93 N ATOM 228 CA SER A 15 21.323 2.979 4.290 1.00 17.44 C ATOM 229 C SER A 15 20.659 2.638 2.929 1.00 19.50 C ATOM 230 O SER A 15 19.610 1.987 2.894 1.00 21.26 O ATOM 231 CB SER A 15 20.534 4.089 5.000 1.00 16.82 C ATOM 232 OG SER A 15 21.106 4.426 6.258 1.00 16.22 O ATOM 233 HA SER A 15 21.290 2.051 4.861 1.00 0.00 H ATOM 234 HB2 SER A 15 19.511 3.748 5.158 1.00 0.00 H ATOM 235 HB3 SER A 15 20.527 4.976 4.367 1.00 0.00 H ATOM 236 HG SER A 15 21.111 3.627 6.842 1.00 0.00 H ATOM 237 H SER A 15 23.043 4.316 4.436 1.00 0.00 H ATOM 238 N SER A 16 21.281 3.050 1.820 1.00 20.87 N ATOM 239 CA SER A 16 20.683 2.957 0.457 1.00 23.57 C ATOM 240 C SER A 16 20.362 1.569 -0.099 1.00 25.47 C ATOM 241 O SER A 16 19.438 1.426 -0.912 1.00 26.80 O ATOM 242 CB SER A 16 21.568 3.673 -0.551 1.00 23.74 C ATOM 243 OG SER A 16 21.596 5.048 -0.271 1.00 23.69 O ATOM 244 HA SER A 16 19.710 3.428 0.599 1.00 0.00 H ATOM 245 HB2 SER A 16 21.173 3.516 -1.555 1.00 0.00 H ATOM 246 HB3 SER A 16 22.580 3.272 -0.493 1.00 0.00 H ATOM 247 HG SER A 16 22.174 5.506 -0.931 1.00 0.00 H ATOM 248 H SER A 16 22.233 3.457 1.913 1.00 0.00 H ATOM 249 N THR A 17 21.136 0.562 0.296 1.00 26.74 N ATOM 250 CA THR A 17 20.875 -0.808 -0.145 1.00 27.96 C ATOM 251 C THR A 17 20.574 -1.735 1.031 1.00 28.66 C ATOM 252 O THR A 17 21.089 -1.535 2.133 1.00 28.50 O ATOM 253 CB THR A 17 22.026 -1.381 -1.012 1.00 28.25 C ATOM 254 OG1 THR A 17 21.640 -2.662 -1.521 1.00 29.64 O ATOM 255 CG2 THR A 17 23.322 -1.510 -0.208 1.00 27.50 C ATOM 256 HA THR A 17 19.986 -0.759 -0.774 1.00 0.00 H ATOM 257 HB THR A 17 22.213 -0.692 -1.836 1.00 0.00 H ATOM 258 HG1 THR A 17 22.373 -3.030 -2.075 1.00 0.00 H ATOM 259 HG23 THR A 17 23.609 -0.531 0.176 1.00 0.00 H ATOM 260 HG21 THR A 17 23.165 -2.196 0.624 1.00 0.00 H ATOM 261 HG22 THR A 17 24.112 -1.894 -0.853 1.00 0.00 H ATOM 262 H THR A 17 21.940 0.752 0.928 1.00 0.00 H ATOM 263 N SER A 18 19.740 -2.743 0.787 1.00 29.35 N ATOM 264 CA SER A 18 19.344 -3.689 1.832 1.00 30.04 C ATOM 265 C SER A 18 20.472 -4.661 2.155 1.00 30.13 C ATOM 266 O SER A 18 20.523 -5.215 3.247 1.00 29.86 O ATOM 267 CB SER A 18 18.087 -4.463 1.415 1.00 30.34 C ATOM 268 OG SER A 18 16.989 -3.588 1.202 1.00 31.56 O ATOM 269 HA SER A 18 19.122 -3.113 2.730 1.00 0.00 H ATOM 270 HB2 SER A 18 17.829 -5.172 2.202 1.00 0.00 H ATOM 271 HB3 SER A 18 18.293 -5.005 0.492 1.00 0.00 H ATOM 272 HG SER A 18 16.195 -4.116 0.935 1.00 0.00 H ATOM 273 H SER A 18 19.359 -2.862 -0.173 1.00 0.00 H ATOM 274 N ALA A 19 21.367 -4.863 1.193 1.00 30.49 N ATOM 275 CA ALA A 19 22.478 -5.793 1.328 1.00 30.77 C ATOM 276 C ALA A 19 23.243 -5.836 0.030 1.00 31.16 C ATOM 277 O ALA A 19 24.474 -5.955 0.046 1.00 31.54 O ATOM 278 CB ALA A 19 21.968 -7.192 1.649 1.00 31.13 C ATOM 279 HA ALA A 19 23.123 -5.457 2.140 1.00 0.00 H ATOM 280 HB1 ALA A 19 21.410 -7.168 2.585 1.00 0.00 H ATOM 281 HB2 ALA A 19 21.316 -7.533 0.845 1.00 0.00 H ATOM 282 HB3 ALA A 19 22.814 -7.872 1.746 1.00 0.00 H ATOM 283 H ALA A 19 21.269 -4.332 0.304 1.00 0.00 H ATOM 284 N ALA A 20 22.484 -5.717 -1.070 1.00 31.19 N ATOM 285 CA ALA A 20 22.891 -6.035 -2.449 1.00 31.15 C ATOM 286 C ALA A 20 24.388 -6.235 -2.632 1.00 31.04 C ATOM 287 O ALA A 20 24.827 -7.303 -3.068 1.00 31.20 O ATOM 288 CB ALA A 20 22.349 -4.991 -3.429 1.00 31.53 C ATOM 289 HA ALA A 20 22.444 -7.004 -2.672 1.00 0.00 H ATOM 290 HB1 ALA A 20 21.260 -4.977 -3.377 1.00 0.00 H ATOM 291 HB2 ALA A 20 22.740 -4.008 -3.164 1.00 0.00 H ATOM 292 HB3 ALA A 20 22.663 -5.247 -4.441 1.00 0.00 H ATOM 293 H ALA A 20 21.514 -5.366 -0.936 1.00 0.00 H ATOM 294 N SER A 21 25.150 -5.204 -2.270 1.00 30.76 N ATOM 295 CA SER A 21 26.608 -5.229 -2.260 1.00 29.91 C ATOM 296 C SER A 21 27.156 -6.245 -3.240 1.00 29.49 C ATOM 297 O SER A 21 27.333 -7.425 -2.905 1.00 29.85 O ATOM 298 CB SER A 21 27.140 -5.478 -0.842 1.00 29.98 C ATOM 299 OG SER A 21 26.714 -4.436 0.017 1.00 29.80 O ATOM 300 HA SER A 21 26.958 -4.249 -2.584 1.00 0.00 H ATOM 301 HB2 SER A 21 28.229 -5.508 -0.863 1.00 0.00 H ATOM 302 HB3 SER A 21 26.759 -6.430 -0.474 1.00 0.00 H ATOM 303 HG SER A 21 27.059 -4.601 0.930 1.00 0.00 H ATOM 304 H SER A 21 24.675 -4.326 -1.976 1.00 0.00 H ATOM 305 N SER A 22 27.381 -5.786 -4.468 1.00 28.90 N ATOM 306 CA SER A 22 27.993 -6.628 -5.493 1.00 27.65 C ATOM 307 C SER A 22 29.368 -7.071 -4.995 1.00 26.78 C ATOM 308 O SER A 22 29.813 -6.609 -3.953 1.00 26.44 O ATOM 309 CB SER A 22 28.094 -5.882 -6.835 1.00 28.23 C ATOM 310 OG SER A 22 29.242 -5.053 -6.919 1.00 27.80 O ATOM 311 HA SER A 22 27.371 -7.506 -5.670 1.00 0.00 H ATOM 312 HB2 SER A 22 27.206 -5.261 -6.956 1.00 0.00 H ATOM 313 HB3 SER A 22 28.135 -6.616 -7.640 1.00 0.00 H ATOM 314 HG SER A 22 29.256 -4.599 -7.799 1.00 0.00 H ATOM 315 H SER A 22 27.116 -4.808 -4.703 1.00 0.00 H ATOM 316 N SER A 23 30.027 -7.980 -5.713 1.00 25.64 N ATOM 317 CA SER A 23 31.388 -8.362 -5.331 1.00 24.81 C ATOM 318 C SER A 23 32.339 -7.170 -5.463 1.00 24.17 C ATOM 319 O SER A 23 33.406 -7.161 -4.830 1.00 24.66 O ATOM 320 CB SER A 23 31.892 -9.558 -6.139 1.00 24.77 C ATOM 321 OG SER A 23 31.692 -9.335 -7.517 1.00 22.94 O ATOM 322 HA SER A 23 31.362 -8.669 -4.286 1.00 0.00 H ATOM 323 HB2 SER A 23 31.348 -10.452 -5.836 1.00 0.00 H ATOM 324 HB3 SER A 23 32.956 -9.699 -5.948 1.00 0.00 H ATOM 325 HG SER A 23 30.726 -9.209 -7.693 1.00 0.00 H ATOM 326 H SER A 23 29.576 -8.417 -6.542 1.00 0.00 H ATOM 327 N ASN A 24 31.934 -6.165 -6.245 1.00 23.53 N ATOM 328 CA ASN A 24 32.652 -4.893 -6.414 1.00 22.59 C ATOM 329 C ASN A 24 32.349 -3.867 -5.332 1.00 21.15 C ATOM 330 O ASN A 24 32.956 -2.804 -5.338 1.00 19.97 O ATOM 331 CB ASN A 24 32.268 -4.184 -7.729 1.00 23.96 C ATOM 332 CG ASN A 24 32.520 -5.007 -8.962 1.00 25.85 C ATOM 333 OD1 ASN A 24 33.548 -5.676 -9.097 1.00 28.81 O ATOM 334 ND2 ASN A 24 31.589 -4.922 -9.907 1.00 27.64 N ATOM 335 HA ASN A 24 33.699 -5.194 -6.384 1.00 0.00 H ATOM 336 HB2 ASN A 24 31.206 -3.940 -7.690 1.00 0.00 H ATOM 337 HB3 ASN A 24 32.848 -3.264 -7.805 1.00 0.00 H ATOM 338 HD22 ASN A 24 30.738 -4.345 -9.748 1.00 0.00 H ATOM 339 HD21 ASN A 24 31.711 -5.432 -10.805 1.00 0.00 H ATOM 340 H ASN A 24 31.047 -6.292 -6.772 1.00 0.00 H ATOM 341 N TYR A 25 31.388 -4.159 -4.453 1.00 19.97 N ATOM 342 CA TYR A 25 30.868 -3.146 -3.516 1.00 19.05 C ATOM 343 C TYR A 25 31.968 -2.478 -2.689 1.00 18.03 C ATOM 344 O TYR A 25 32.068 -1.263 -2.661 1.00 18.19 O ATOM 345 CB TYR A 25 29.793 -3.737 -2.609 1.00 19.05 C ATOM 346 CG TYR A 25 29.286 -2.813 -1.511 1.00 18.56 C ATOM 347 CD1 TYR A 25 28.206 -1.958 -1.728 1.00 19.37 C ATOM 348 CD2 TYR A 25 29.875 -2.816 -0.236 1.00 16.92 C ATOM 349 CE1 TYR A 25 27.732 -1.120 -0.708 1.00 19.30 C ATOM 350 CE2 TYR A 25 29.415 -1.977 0.778 1.00 17.22 C ATOM 351 CZ TYR A 25 28.340 -1.139 0.539 1.00 17.85 C ATOM 352 OH TYR A 25 27.877 -0.320 1.551 1.00 18.31 O ATOM 353 HA TYR A 25 30.418 -2.365 -4.128 1.00 0.00 H ATOM 354 HB3 TYR A 25 30.205 -4.628 -2.136 1.00 0.00 H ATOM 355 HB2 TYR A 25 28.944 -4.017 -3.232 1.00 0.00 H ATOM 356 HD2 TYR A 25 30.709 -3.488 -0.035 1.00 0.00 H ATOM 357 HE2 TYR A 25 29.900 -1.981 1.754 1.00 0.00 H ATOM 358 HE1 TYR A 25 26.888 -0.456 -0.894 1.00 0.00 H ATOM 359 HD1 TYR A 25 27.723 -1.941 -2.705 1.00 0.00 H ATOM 360 HH TYR A 25 27.110 0.211 1.219 1.00 0.00 H ATOM 361 H TYR A 25 30.997 -5.122 -4.428 1.00 0.00 H ATOM 362 N CYS A 26 32.819 -3.279 -2.058 1.00 17.20 N ATOM 363 CA CYS A 26 33.860 -2.713 -1.193 1.00 16.99 C ATOM 364 C CYS A 26 34.902 -1.901 -1.966 1.00 17.50 C ATOM 365 O CYS A 26 35.303 -0.823 -1.532 1.00 17.10 O ATOM 366 CB CYS A 26 34.506 -3.805 -0.354 1.00 16.39 C ATOM 367 SG CYS A 26 33.390 -4.404 0.941 1.00 15.43 S ATOM 368 HA CYS A 26 33.371 -2.006 -0.523 1.00 0.00 H ATOM 369 HB2 CYS A 26 35.407 -3.406 0.112 1.00 0.00 H ATOM 370 HB3 CYS A 26 34.773 -4.638 -1.004 1.00 0.00 H ATOM 371 H CYS A 26 32.747 -4.310 -2.177 1.00 0.00 H ATOM 372 N ASN A 27 35.325 -2.394 -3.129 1.00 18.35 N ATOM 373 CA ASN A 27 36.283 -1.637 -3.943 1.00 19.22 C ATOM 374 C ASN A 27 35.795 -0.221 -4.232 1.00 19.88 C ATOM 375 O ASN A 27 36.546 0.740 -4.103 1.00 20.70 O ATOM 376 CB ASN A 27 36.577 -2.372 -5.254 1.00 18.96 C ATOM 377 CG ASN A 27 37.327 -3.669 -5.031 1.00 19.74 C ATOM 378 OD1 ASN A 27 38.001 -3.830 -4.014 1.00 19.39 O ATOM 379 ND2 ASN A 27 37.211 -4.609 -5.975 1.00 22.53 N ATOM 380 HA ASN A 27 37.203 -1.557 -3.364 1.00 0.00 H ATOM 381 HB2 ASN A 27 35.633 -2.594 -5.751 1.00 0.00 H ATOM 382 HB3 ASN A 27 37.178 -1.724 -5.892 1.00 0.00 H ATOM 383 HD22 ASN A 27 36.630 -4.430 -6.819 1.00 0.00 H ATOM 384 HD21 ASN A 27 37.701 -5.519 -5.865 1.00 0.00 H ATOM 385 H ASN A 27 34.976 -3.316 -3.460 1.00 0.00 H ATOM 386 N GLN A 28 34.519 -0.117 -4.588 1.00 20.19 N ATOM 387 CA GLN A 28 33.888 1.159 -4.904 1.00 21.45 C ATOM 388 C GLN A 28 33.641 2.009 -3.658 1.00 21.29 C ATOM 389 O GLN A 28 34.003 3.190 -3.619 1.00 21.62 O ATOM 390 CB GLN A 28 32.586 0.910 -5.656 1.00 22.22 C ATOM 391 CG GLN A 28 32.830 0.353 -7.051 1.00 25.22 C ATOM 392 CD GLN A 28 31.580 -0.203 -7.701 1.00 28.33 C ATOM 393 OE1 GLN A 28 30.525 -0.308 -7.073 1.00 32.01 O ATOM 394 NE2 GLN A 28 31.694 -0.570 -8.974 1.00 31.04 N ATOM 395 HA GLN A 28 34.572 1.725 -5.536 1.00 0.00 H ATOM 396 HB2 GLN A 28 31.985 0.197 -5.092 1.00 0.00 H ATOM 397 HB3 GLN A 28 32.044 1.852 -5.743 1.00 0.00 H ATOM 398 HG2 GLN A 28 33.221 1.153 -7.680 1.00 0.00 H ATOM 399 HG3 GLN A 28 33.568 -0.446 -6.981 1.00 0.00 H ATOM 400 HE22 GLN A 28 32.604 -0.464 -9.466 1.00 0.00 H ATOM 401 HE21 GLN A 28 30.873 -0.963 -9.477 1.00 0.00 H ATOM 402 H GLN A 28 33.946 -0.983 -4.644 1.00 0.00 H ATOM 403 N MET A 29 33.060 1.384 -2.631 1.00 20.96 N ATOM 404 CA MET A 29 32.664 2.095 -1.410 1.00 20.82 C ATOM 405 C MET A 29 33.827 2.611 -0.583 1.00 19.86 C ATOM 406 O MET A 29 33.789 3.734 -0.074 1.00 19.48 O ATOM 407 CB MET A 29 31.742 1.220 -0.566 1.00 21.15 C ATOM 408 CG MET A 29 30.339 1.178 -1.117 1.00 22.79 C ATOM 409 SD MET A 29 29.459 2.748 -0.902 1.00 26.46 S ATOM 410 CE MET A 29 29.272 2.812 0.884 1.00 24.92 C ATOM 411 HA MET A 29 32.128 2.985 -1.740 1.00 0.00 H ATOM 412 HB2 MET A 29 32.142 0.206 -0.544 1.00 0.00 H ATOM 413 HB3 MET A 29 31.710 1.618 0.448 1.00 0.00 H ATOM 414 HG2 MET A 29 29.785 0.393 -0.602 1.00 0.00 H ATOM 415 HG3 MET A 29 30.388 0.948 -2.181 1.00 0.00 H ATOM 416 HE1 MET A 29 28.700 1.947 1.219 1.00 0.00 H ATOM 417 HE2 MET A 29 30.256 2.801 1.352 1.00 0.00 H ATOM 418 HE3 MET A 29 28.747 3.726 1.161 1.00 0.00 H ATOM 419 H MET A 29 32.883 0.361 -2.699 1.00 0.00 H ATOM 420 N MET A 30 34.865 1.791 -0.448 1.00 18.84 N ATOM 421 CA MET A 30 36.049 2.189 0.297 1.00 19.29 C ATOM 422 C MET A 30 36.727 3.418 -0.314 1.00 20.39 C ATOM 423 O MET A 30 37.215 4.288 0.405 1.00 20.79 O ATOM 424 CB MET A 30 37.036 1.019 0.447 1.00 18.10 C ATOM 425 CG MET A 30 36.502 -0.153 1.288 1.00 16.77 C ATOM 426 SD MET A 30 36.235 0.304 3.007 1.00 14.57 S ATOM 427 CE MET A 30 37.930 0.465 3.578 1.00 14.98 C ATOM 428 HA MET A 30 35.717 2.473 1.296 1.00 0.00 H ATOM 429 HB2 MET A 30 37.276 0.644 -0.548 1.00 0.00 H ATOM 430 HB3 MET A 30 37.943 1.395 0.921 1.00 0.00 H ATOM 431 HG2 MET A 30 37.224 -0.969 1.250 1.00 0.00 H ATOM 432 HG3 MET A 30 35.555 -0.487 0.863 1.00 0.00 H ATOM 433 HE1 MET A 30 38.446 -0.487 3.453 1.00 0.00 H ATOM 434 HE2 MET A 30 38.437 1.234 2.995 1.00 0.00 H ATOM 435 HE3 MET A 30 37.932 0.746 4.631 1.00 0.00 H ATOM 436 H MET A 30 34.830 0.847 -0.883 1.00 0.00 H ATOM 437 N LYS A 31 36.760 3.493 -1.643 1.00 22.04 N ATOM 438 CA LYS A 31 37.362 4.657 -2.296 1.00 23.09 C ATOM 439 C LYS A 31 36.524 5.931 -2.120 1.00 22.86 C ATOM 440 O LYS A 31 37.034 6.975 -1.695 1.00 22.61 O ATOM 441 CB LYS A 31 37.627 4.374 -3.773 1.00 24.19 C ATOM 442 CG LYS A 31 38.395 5.490 -4.463 1.00 25.35 C ATOM 443 CD LYS A 31 38.968 5.058 -5.794 1.00 27.81 C ATOM 444 CE LYS A 31 39.796 6.189 -6.405 1.00 29.17 C ATOM 445 NZ LYS A 31 40.217 5.875 -7.803 1.00 30.71 N ATOM 446 HA LYS A 31 38.316 4.840 -1.801 1.00 0.00 H ATOM 447 HB2 LYS A 31 38.205 3.453 -3.852 1.00 0.00 H ATOM 448 HB3 LYS A 31 36.670 4.246 -4.279 1.00 0.00 H ATOM 449 HG2 LYS A 31 37.720 6.330 -4.628 1.00 0.00 H ATOM 450 HG3 LYS A 31 39.213 5.805 -3.815 1.00 0.00 H ATOM 451 HD2 LYS A 31 39.604 4.185 -5.646 1.00 0.00 H ATOM 452 HD3 LYS A 31 38.153 4.802 -6.471 1.00 0.00 H ATOM 453 HE2 LYS A 31 40.686 6.345 -5.795 1.00 0.00 H ATOM 454 HE3 LYS A 31 39.198 7.100 -6.412 1.00 0.00 H ATOM 455 HZ1 LYS A 31 40.794 5.010 -7.804 1.00 0.00 H ATOM 456 HZ2 LYS A 31 39.373 5.731 -8.394 1.00 0.00 H ATOM 457 HZ3 LYS A 31 40.776 6.666 -8.181 1.00 0.00 H ATOM 458 H LYS A 31 36.358 2.725 -2.217 1.00 0.00 H ATOM 459 N SER A 32 35.241 5.823 -2.439 1.00 23.21 N ATOM 460 CA SER A 32 34.360 6.986 -2.471 1.00 23.78 C ATOM 461 C SER A 32 34.118 7.593 -1.092 1.00 23.61 C ATOM 462 O SER A 32 33.960 8.812 -0.956 1.00 24.66 O ATOM 463 CB SER A 32 33.043 6.628 -3.139 1.00 24.05 C ATOM 464 OG SER A 32 32.272 5.772 -2.327 1.00 25.81 O ATOM 465 HA SER A 32 34.868 7.752 -3.057 1.00 0.00 H ATOM 466 HB2 SER A 32 33.249 6.129 -4.086 1.00 0.00 H ATOM 467 HB3 SER A 32 32.480 7.542 -3.327 1.00 0.00 H ATOM 468 HG SER A 32 32.776 4.937 -2.157 1.00 0.00 H ATOM 469 H SER A 32 34.853 4.886 -2.672 1.00 0.00 H ATOM 470 N ARG A 33 34.090 6.744 -0.067 1.00 22.88 N ATOM 471 CA ARG A 33 33.993 7.244 1.302 1.00 22.12 C ATOM 472 C ARG A 33 35.334 7.759 1.845 1.00 22.89 C ATOM 473 O ARG A 33 35.475 8.068 3.036 1.00 22.24 O ATOM 474 CB ARG A 33 33.398 6.172 2.220 1.00 21.47 C ATOM 475 CG ARG A 33 31.960 5.814 1.878 1.00 18.78 C ATOM 476 CD ARG A 33 31.026 7.027 1.917 1.00 17.32 C ATOM 477 NE ARG A 33 29.658 6.617 1.641 1.00 17.43 N ATOM 478 CZ ARG A 33 28.816 6.146 2.560 1.00 17.86 C ATOM 479 NH1 ARG A 33 29.212 6.044 3.823 1.00 16.14 N ATOM 480 NH2 ARG A 33 27.587 5.784 2.228 1.00 17.71 N ATOM 481 HA ARG A 33 33.323 8.103 1.283 1.00 0.00 H ATOM 482 HB2 ARG A 33 34.007 5.271 2.140 1.00 0.00 H ATOM 483 HB3 ARG A 33 33.428 6.540 3.246 1.00 0.00 H ATOM 484 HG2 ARG A 33 31.935 5.386 0.876 1.00 0.00 H ATOM 485 HG3 ARG A 33 31.604 5.075 2.596 1.00 0.00 H ATOM 486 HD2 ARG A 33 31.344 7.751 1.166 1.00 0.00 H ATOM 487 HD3 ARG A 33 31.072 7.486 2.905 1.00 0.00 H ATOM 488 HE ARG A 33 29.315 6.697 0.663 1.00 0.00 H ATOM 489 HH12 ARG A 33 28.559 5.677 4.545 1.00 0.00 H ATOM 490 HH11 ARG A 33 30.175 6.331 4.091 1.00 0.00 H ATOM 491 HH22 ARG A 33 26.939 5.418 2.954 1.00 0.00 H ATOM 492 HH21 ARG A 33 27.270 5.866 1.241 1.00 0.00 H ATOM 493 H ARG A 33 34.137 5.720 -0.242 1.00 0.00 H ATOM 494 N ASN A 34 36.321 7.854 0.949 1.00 23.88 N ATOM 495 CA ASN A 34 37.644 8.398 1.262 1.00 25.79 C ATOM 496 C ASN A 34 38.415 7.574 2.283 1.00 25.61 C ATOM 497 O ASN A 34 39.159 8.105 3.100 1.00 26.61 O ATOM 498 CB ASN A 34 37.556 9.873 1.690 1.00 26.41 C ATOM 499 CG ASN A 34 37.338 10.820 0.520 1.00 28.78 C ATOM 500 OD1 ASN A 34 37.264 10.404 -0.639 1.00 31.63 O ATOM 501 ND2 ASN A 34 37.232 12.110 0.824 1.00 30.65 N ATOM 502 HA ASN A 34 38.216 8.340 0.336 1.00 0.00 H ATOM 503 HB2 ASN A 34 36.725 9.984 2.386 1.00 0.00 H ATOM 504 HB3 ASN A 34 38.486 10.146 2.189 1.00 0.00 H ATOM 505 HD22 ASN A 34 37.300 12.418 1.815 1.00 0.00 H ATOM 506 HD21 ASN A 34 37.081 12.811 0.071 1.00 0.00 H ATOM 507 H ASN A 34 36.140 7.525 -0.021 1.00 0.00 H ATOM 508 N LEU A 35 38.237 6.259 2.220 1.00 25.50 N ATOM 509 CA LEU A 35 38.939 5.358 3.127 1.00 25.30 C ATOM 510 C LEU A 35 40.149 4.720 2.438 1.00 25.58 C ATOM 511 O LEU A 35 40.832 3.887 3.025 1.00 25.15 O ATOM 512 CB LEU A 35 37.987 4.292 3.691 1.00 24.94 C ATOM 513 CG LEU A 35 36.675 4.839 4.270 1.00 24.10 C ATOM 514 CD1 LEU A 35 35.806 3.701 4.739 1.00 22.28 C ATOM 515 CD2 LEU A 35 36.947 5.809 5.405 1.00 25.80 C ATOM 516 HA LEU A 35 39.310 5.945 3.967 1.00 0.00 H ATOM 517 HB2 LEU A 35 37.740 3.599 2.887 1.00 0.00 H ATOM 518 HB3 LEU A 35 38.510 3.756 4.483 1.00 0.00 H ATOM 519 HG LEU A 35 36.149 5.383 3.485 1.00 0.00 H ATOM 520 HD21 LEU A 35 37.493 5.296 6.197 1.00 0.00 H ATOM 521 HD22 LEU A 35 37.542 6.644 5.033 1.00 0.00 H ATOM 522 HD23 LEU A 35 36.001 6.182 5.797 1.00 0.00 H ATOM 523 HD11 LEU A 35 35.582 3.046 3.897 1.00 0.00 H ATOM 524 HD12 LEU A 35 36.332 3.138 5.510 1.00 0.00 H ATOM 525 HD13 LEU A 35 34.878 4.099 5.148 1.00 0.00 H ATOM 526 H LEU A 35 37.586 5.865 1.511 1.00 0.00 H ATOM 527 N THR A 36 40.408 5.134 1.197 1.00 26.63 N ATOM 528 CA THR A 36 41.587 4.675 0.448 1.00 27.36 C ATOM 529 C THR A 36 42.508 5.823 0.025 1.00 28.20 C ATOM 530 O THR A 36 43.482 5.601 -0.700 1.00 28.36 O ATOM 531 CB THR A 36 41.204 3.837 -0.805 1.00 27.14 C ATOM 532 OG1 THR A 36 40.547 4.663 -1.771 1.00 27.41 O ATOM 533 CG2 THR A 36 40.300 2.667 -0.431 1.00 27.25 C ATOM 534 HA THR A 36 42.131 4.038 1.145 1.00 0.00 H ATOM 535 HB THR A 36 42.124 3.439 -1.234 1.00 0.00 H ATOM 536 HG1 THR A 36 40.309 4.118 -2.562 1.00 0.00 H ATOM 537 HG23 THR A 36 40.804 2.041 0.305 1.00 0.00 H ATOM 538 HG21 THR A 36 39.370 3.048 -0.009 1.00 0.00 H ATOM 539 HG22 THR A 36 40.082 2.079 -1.322 1.00 0.00 H ATOM 540 H THR A 36 39.754 5.804 0.744 1.00 0.00 H ATOM 541 N LYS A 37 42.212 7.040 0.481 1.00 28.85 N ATOM 542 CA LYS A 37 42.921 8.230 -0.001 1.00 29.68 C ATOM 543 C LYS A 37 44.396 8.267 0.419 1.00 29.72 C ATOM 544 O LYS A 37 45.278 8.468 -0.425 1.00 29.95 O ATOM 545 CB LYS A 37 42.195 9.512 0.432 1.00 29.90 C ATOM 546 CG LYS A 37 42.816 10.802 -0.102 1.00 30.13 C ATOM 547 CD LYS A 37 42.099 12.027 0.446 1.00 30.54 C ATOM 548 CE LYS A 37 43.006 13.250 0.432 1.00 31.91 C ATOM 549 NZ LYS A 37 42.311 14.454 0.973 1.00 32.79 N ATOM 550 HA LYS A 37 42.914 8.171 -1.089 1.00 0.00 H ATOM 551 HB2 LYS A 37 41.166 9.457 0.078 1.00 0.00 H ATOM 552 HB3 LYS A 37 42.201 9.556 1.521 1.00 0.00 H ATOM 553 HG2 LYS A 37 43.864 10.841 0.194 1.00 0.00 H ATOM 554 HG3 LYS A 37 42.747 10.806 -1.190 1.00 0.00 H ATOM 555 HD2 LYS A 37 41.221 12.229 -0.167 1.00 0.00 H ATOM 556 HD3 LYS A 37 41.787 11.827 1.471 1.00 0.00 H ATOM 557 HE2 LYS A 37 43.315 13.450 -0.594 1.00 0.00 H ATOM 558 HE3 LYS A 37 43.886 13.045 1.042 1.00 0.00 H ATOM 559 HZ1 LYS A 37 41.473 14.659 0.392 1.00 0.00 H ATOM 560 HZ2 LYS A 37 42.018 14.272 1.954 1.00 0.00 H ATOM 561 HZ3 LYS A 37 42.959 15.267 0.948 1.00 0.00 H ATOM 562 H LYS A 37 41.462 7.148 1.194 1.00 0.00 H ATOM 563 N ASP A 38 44.660 8.074 1.711 1.00 29.74 N ATOM 564 CA ASP A 38 46.025 8.149 2.235 1.00 29.98 C ATOM 565 C ASP A 38 46.701 6.779 2.327 1.00 29.38 C ATOM 566 O ASP A 38 47.914 6.665 2.139 1.00 29.74 O ATOM 567 CB ASP A 38 46.049 8.862 3.593 1.00 30.62 C ATOM 568 CG ASP A 38 45.911 10.375 3.463 1.00 32.23 C ATOM 569 OD1 ASP A 38 46.676 10.988 2.680 1.00 34.46 O ATOM 570 OD2 ASP A 38 45.040 10.952 4.152 1.00 33.72 O ATOM 571 HA ASP A 38 46.603 8.735 1.520 1.00 0.00 H ATOM 572 HB2 ASP A 38 45.225 8.487 4.199 1.00 0.00 H ATOM 573 HB3 ASP A 38 46.994 8.639 4.088 1.00 0.00 H ATOM 574 H ASP A 38 43.877 7.865 2.363 1.00 0.00 H ATOM 575 N ARG A 39 45.905 5.753 2.625 1.00 28.65 N ATOM 576 CA ARG A 39 46.343 4.354 2.616 1.00 27.76 C ATOM 577 C ARG A 39 45.119 3.492 2.334 1.00 26.72 C ATOM 578 O ARG A 39 44.017 4.021 2.229 1.00 26.65 O ATOM 579 CB ARG A 39 46.981 3.953 3.947 1.00 28.04 C ATOM 580 CG ARG A 39 46.044 3.986 5.147 1.00 29.51 C ATOM 581 CD ARG A 39 46.444 2.928 6.151 1.00 31.17 C ATOM 582 NE ARG A 39 45.514 2.851 7.271 1.00 33.08 N ATOM 583 CZ ARG A 39 45.557 1.926 8.227 1.00 34.64 C ATOM 584 NH1 ARG A 39 44.658 1.942 9.201 1.00 33.63 N ATOM 585 NH2 ARG A 39 46.494 0.983 8.211 1.00 33.92 N ATOM 586 HA ARG A 39 47.104 4.214 1.848 1.00 0.00 H ATOM 587 HB2 ARG A 39 47.365 2.938 3.846 1.00 0.00 H ATOM 588 HB3 ARG A 39 47.808 4.635 4.145 1.00 0.00 H ATOM 589 HG2 ARG A 39 46.096 4.968 5.618 1.00 0.00 H ATOM 590 HG3 ARG A 39 45.024 3.798 4.813 1.00 0.00 H ATOM 591 HD2 ARG A 39 47.436 3.165 6.534 1.00 0.00 H ATOM 592 HD3 ARG A 39 46.471 1.960 5.650 1.00 0.00 H ATOM 593 HE ARG A 39 44.764 3.569 7.327 1.00 0.00 H ATOM 594 HH12 ARG A 39 44.689 1.220 9.949 1.00 0.00 H ATOM 595 HH11 ARG A 39 43.921 2.676 9.217 1.00 0.00 H ATOM 596 HH22 ARG A 39 46.521 0.264 8.962 1.00 0.00 H ATOM 597 HH21 ARG A 39 47.200 0.965 7.448 1.00 0.00 H ATOM 598 H ARG A 39 44.917 5.956 2.878 1.00 0.00 H ATOM 599 N CYS A 40 45.301 2.179 2.192 1.00 25.26 N ATOM 600 CA CYS A 40 44.145 1.280 2.169 1.00 24.16 C ATOM 601 C CYS A 40 43.743 0.932 3.602 1.00 23.34 C ATOM 602 O CYS A 40 44.445 0.182 4.285 1.00 23.50 O ATOM 603 CB CYS A 40 44.441 -0.012 1.403 1.00 23.92 C ATOM 604 SG CYS A 40 45.155 0.134 -0.265 1.00 23.76 S ATOM 605 HA CYS A 40 43.333 1.797 1.658 1.00 0.00 H ATOM 606 HB2 CYS A 40 43.501 -0.556 1.308 1.00 0.00 H ATOM 607 HB3 CYS A 40 45.138 -0.595 2.005 1.00 0.00 H ATOM 608 H CYS A 40 46.262 1.794 2.098 1.00 0.00 H ATOM 609 N LYS A 41 42.614 1.467 4.068 1.00 21.99 N ATOM 610 CA LYS A 41 42.099 1.044 5.374 1.00 20.65 C ATOM 611 C LYS A 41 41.892 -0.482 5.316 1.00 19.88 C ATOM 612 O LYS A 41 41.222 -0.981 4.417 1.00 19.10 O ATOM 613 CB LYS A 41 40.799 1.778 5.726 1.00 20.98 C ATOM 614 CG LYS A 41 40.353 1.550 7.167 1.00 20.49 C ATOM 615 CD LYS A 41 39.078 2.295 7.521 1.00 19.26 C ATOM 616 CE LYS A 41 38.685 1.985 8.972 1.00 18.89 C ATOM 617 NZ LYS A 41 37.455 2.718 9.395 1.00 19.24 N ATOM 618 HA LYS A 41 42.810 1.295 6.161 1.00 0.00 H ATOM 619 HB2 LYS A 41 40.952 2.847 5.575 1.00 0.00 H ATOM 620 HB3 LYS A 41 40.011 1.427 5.059 1.00 0.00 H ATOM 621 HG2 LYS A 41 40.184 0.483 7.313 1.00 0.00 H ATOM 622 HG3 LYS A 41 41.148 1.885 7.834 1.00 0.00 H ATOM 623 HD2 LYS A 41 39.242 3.367 7.410 1.00 0.00 H ATOM 624 HD3 LYS A 41 38.276 1.980 6.853 1.00 0.00 H ATOM 625 HE2 LYS A 41 39.507 2.272 9.627 1.00 0.00 H ATOM 626 HE3 LYS A 41 38.505 0.914 9.065 1.00 0.00 H ATOM 627 HZ1 LYS A 41 37.619 3.742 9.317 1.00 0.00 H ATOM 628 HZ2 LYS A 41 36.662 2.445 8.780 1.00 0.00 H ATOM 629 HZ3 LYS A 41 37.231 2.476 10.381 1.00 0.00 H ATOM 630 H LYS A 41 42.102 2.179 3.509 1.00 0.00 H ATOM 631 N PRO A 42 42.512 -1.231 6.235 1.00 19.54 N ATOM 632 CA PRO A 42 42.477 -2.700 6.166 1.00 19.20 C ATOM 633 C PRO A 42 41.102 -3.383 6.305 1.00 18.48 C ATOM 634 O PRO A 42 40.818 -4.342 5.582 1.00 19.24 O ATOM 635 CB PRO A 42 43.409 -3.140 7.307 1.00 20.17 C ATOM 636 CG PRO A 42 44.151 -1.944 7.703 1.00 20.90 C ATOM 637 CD PRO A 42 43.342 -0.750 7.358 1.00 19.82 C ATOM 638 HA PRO A 42 42.776 -3.007 5.164 1.00 0.00 H ATOM 639 HD3 PRO A 42 42.723 -0.438 8.199 1.00 0.00 H ATOM 640 HD2 PRO A 42 43.978 0.080 7.050 1.00 0.00 H ATOM 641 HG3 PRO A 42 45.102 -1.909 7.172 1.00 0.00 H ATOM 642 HG2 PRO A 42 44.336 -1.965 8.777 1.00 0.00 H ATOM 643 HB2 PRO A 42 42.827 -3.521 8.146 1.00 0.00 H ATOM 644 HB3 PRO A 42 44.094 -3.914 6.960 1.00 0.00 H ATOM 645 N VAL A 43 40.276 -2.905 7.226 1.00 17.05 N ATOM 646 CA VAL A 43 38.997 -3.543 7.547 1.00 15.78 C ATOM 647 C VAL A 43 37.993 -2.440 7.837 1.00 13.96 C ATOM 648 O VAL A 43 38.291 -1.508 8.582 1.00 13.58 O ATOM 649 CB VAL A 43 39.106 -4.439 8.819 1.00 16.61 C ATOM 650 CG1 VAL A 43 37.757 -5.059 9.186 1.00 18.60 C ATOM 651 CG2 VAL A 43 40.174 -5.528 8.640 1.00 17.63 C ATOM 652 HA VAL A 43 38.696 -4.169 6.707 1.00 0.00 H ATOM 653 HB VAL A 43 39.412 -3.795 9.644 1.00 0.00 H ATOM 654 HG11 VAL A 43 37.036 -4.266 9.383 1.00 0.00 H ATOM 655 HG12 VAL A 43 37.405 -5.675 8.359 1.00 0.00 H ATOM 656 HG13 VAL A 43 37.873 -5.676 10.077 1.00 0.00 H ATOM 657 HG21 VAL A 43 39.910 -6.158 7.791 1.00 0.00 H ATOM 658 HG22 VAL A 43 41.142 -5.060 8.459 1.00 0.00 H ATOM 659 HG23 VAL A 43 40.226 -6.136 9.543 1.00 0.00 H ATOM 660 H VAL A 43 40.547 -2.043 7.741 1.00 0.00 H ATOM 661 N ASN A 44 36.805 -2.528 7.250 1.00 11.92 N ATOM 662 CA ASN A 44 35.776 -1.528 7.485 1.00 11.66 C ATOM 663 C ASN A 44 34.413 -2.116 7.229 1.00 11.53 C ATOM 664 O ASN A 44 34.231 -2.779 6.223 1.00 13.30 O ATOM 665 CB ASN A 44 35.971 -0.345 6.549 1.00 12.02 C ATOM 666 CG ASN A 44 35.128 0.830 6.947 1.00 12.53 C ATOM 667 OD1 ASN A 44 35.396 1.481 7.962 1.00 13.80 O ATOM 668 ND2 ASN A 44 34.082 1.087 6.186 1.00 12.95 N ATOM 669 HA ASN A 44 35.851 -1.199 8.521 1.00 0.00 H ATOM 670 HB2 ASN A 44 37.020 -0.049 6.569 1.00 0.00 H ATOM 671 HB3 ASN A 44 35.699 -0.647 5.538 1.00 0.00 H ATOM 672 HD22 ASN A 44 33.899 0.509 5.341 1.00 0.00 H ATOM 673 HD21 ASN A 44 33.440 1.867 6.431 1.00 0.00 H ATOM 674 H ASN A 44 36.607 -3.325 6.612 1.00 0.00 H ATOM 675 N THR A 45 33.453 -1.827 8.105 1.00 10.37 N ATOM 676 CA THR A 45 32.089 -2.320 7.987 1.00 10.53 C ATOM 677 C THR A 45 31.102 -1.208 7.666 1.00 10.45 C ATOM 678 O THR A 45 31.137 -0.133 8.270 1.00 10.97 O ATOM 679 CB THR A 45 31.679 -2.987 9.324 1.00 10.88 C ATOM 680 OG1 THR A 45 32.650 -3.988 9.653 1.00 12.55 O ATOM 681 CG2 THR A 45 30.283 -3.632 9.250 1.00 12.16 C ATOM 682 HA THR A 45 32.062 -3.036 7.166 1.00 0.00 H ATOM 683 HB THR A 45 31.639 -2.214 10.091 1.00 0.00 H ATOM 684 HG1 THR A 45 32.680 -4.667 8.933 1.00 0.00 H ATOM 685 HG23 THR A 45 29.545 -2.870 9.000 1.00 0.00 H ATOM 686 HG21 THR A 45 30.282 -4.406 8.483 1.00 0.00 H ATOM 687 HG22 THR A 45 30.037 -4.075 10.215 1.00 0.00 H ATOM 688 H THR A 45 33.690 -1.218 8.914 1.00 0.00 H ATOM 689 N PHE A 46 30.217 -1.495 6.714 1.00 10.31 N ATOM 690 CA PHE A 46 29.085 -0.612 6.398 1.00 10.89 C ATOM 691 C PHE A 46 27.777 -1.215 6.872 1.00 11.10 C ATOM 692 O PHE A 46 27.571 -2.414 6.734 1.00 13.24 O ATOM 693 CB PHE A 46 29.018 -0.370 4.887 1.00 11.43 C ATOM 694 CG PHE A 46 30.196 0.407 4.350 1.00 12.05 C ATOM 695 CD1 PHE A 46 30.248 1.778 4.485 1.00 13.36 C ATOM 696 CD2 PHE A 46 31.249 -0.239 3.720 1.00 11.61 C ATOM 697 CE1 PHE A 46 31.318 2.511 3.998 1.00 14.45 C ATOM 698 CE2 PHE A 46 32.328 0.489 3.234 1.00 13.02 C ATOM 699 CZ PHE A 46 32.352 1.863 3.379 1.00 13.31 C ATOM 700 HA PHE A 46 29.239 0.335 6.915 1.00 0.00 H ATOM 701 HB2 PHE A 46 28.983 -1.336 4.384 1.00 0.00 H ATOM 702 HB3 PHE A 46 28.107 0.187 4.666 1.00 0.00 H ATOM 703 HD2 PHE A 46 31.230 -1.323 3.606 1.00 0.00 H ATOM 704 HE2 PHE A 46 33.154 -0.023 2.739 1.00 0.00 H ATOM 705 HZ PHE A 46 33.199 2.434 2.998 1.00 0.00 H ATOM 706 HE1 PHE A 46 31.336 3.595 4.107 1.00 0.00 H ATOM 707 HD1 PHE A 46 29.430 2.296 4.985 1.00 0.00 H ATOM 708 H PHE A 46 30.331 -2.376 6.174 1.00 0.00 H ATOM 709 N VAL A 47 26.919 -0.378 7.447 1.00 12.10 N ATOM 710 CA VAL A 47 25.635 -0.832 7.976 1.00 13.02 C ATOM 711 C VAL A 47 24.462 -0.357 7.098 1.00 13.30 C ATOM 712 O VAL A 47 24.325 0.828 6.808 1.00 13.71 O ATOM 713 CB VAL A 47 25.435 -0.353 9.436 1.00 12.19 C ATOM 714 CG1 VAL A 47 24.141 -0.887 10.040 1.00 13.12 C ATOM 715 CG2 VAL A 47 26.635 -0.745 10.331 1.00 12.95 C ATOM 716 HA VAL A 47 25.649 -1.922 7.964 1.00 0.00 H ATOM 717 HB VAL A 47 25.369 0.734 9.398 1.00 0.00 H ATOM 718 HG11 VAL A 47 23.295 -0.539 9.448 1.00 0.00 H ATOM 719 HG12 VAL A 47 24.164 -1.977 10.039 1.00 0.00 H ATOM 720 HG13 VAL A 47 24.043 -0.526 11.064 1.00 0.00 H ATOM 721 HG21 VAL A 47 26.745 -1.829 10.335 1.00 0.00 H ATOM 722 HG22 VAL A 47 27.544 -0.288 9.939 1.00 0.00 H ATOM 723 HG23 VAL A 47 26.459 -0.393 11.347 1.00 0.00 H ATOM 724 H VAL A 47 27.169 0.629 7.522 1.00 0.00 H ATOM 725 N HIS A 48 23.610 -1.308 6.717 1.00 14.54 N ATOM 726 CA HIS A 48 22.484 -1.059 5.812 1.00 15.80 C ATOM 727 C HIS A 48 21.214 -1.060 6.601 1.00 15.54 C ATOM 728 O HIS A 48 20.381 -1.975 6.486 1.00 17.14 O ATOM 729 CB HIS A 48 22.419 -2.155 4.789 1.00 16.20 C ATOM 730 CG HIS A 48 23.704 -2.359 4.076 1.00 15.78 C ATOM 731 ND1 HIS A 48 24.366 -1.329 3.438 1.00 17.11 N ATOM 732 CD2 HIS A 48 24.482 -3.456 3.949 1.00 15.42 C ATOM 733 CE1 HIS A 48 25.487 -1.801 2.917 1.00 17.45 C ATOM 734 NE2 HIS A 48 25.566 -3.093 3.191 1.00 17.99 N ATOM 735 HA HIS A 48 22.617 -0.097 5.317 1.00 0.00 H ATOM 736 HB2 HIS A 48 22.149 -3.084 5.291 1.00 0.00 H ATOM 737 HB3 HIS A 48 21.652 -1.903 4.057 1.00 0.00 H ATOM 738 HD2 HIS A 48 24.286 -4.442 4.369 1.00 0.00 H ATOM 739 HE1 HIS A 48 26.222 -1.223 2.357 1.00 0.00 H ATOM 740 H HIS A 48 23.751 -2.273 7.079 1.00 0.00 H ATOM 741 N GLU A 49 21.105 -0.065 7.458 1.00 15.49 N ATOM 742 CA GLU A 49 19.909 0.148 8.239 1.00 14.76 C ATOM 743 C GLU A 49 19.750 1.640 8.297 1.00 15.17 C ATOM 744 O GLU A 49 20.677 2.389 7.959 1.00 15.33 O ATOM 745 CB GLU A 49 20.046 -0.423 9.660 1.00 14.83 C ATOM 746 CG GLU A 49 20.349 -1.906 9.704 1.00 15.58 C ATOM 747 CD GLU A 49 19.188 -2.800 9.307 1.00 16.36 C ATOM 748 OE1 GLU A 49 18.032 -2.316 9.199 1.00 19.16 O ATOM 749 OE2 GLU A 49 19.466 -3.996 9.100 1.00 18.60 O ATOM 750 HA GLU A 49 19.051 -0.354 7.793 1.00 0.00 H ATOM 751 HB2 GLU A 49 20.853 0.107 10.166 1.00 0.00 H ATOM 752 HB3 GLU A 49 19.110 -0.249 10.191 1.00 0.00 H ATOM 753 HG2 GLU A 49 21.179 -2.104 9.025 1.00 0.00 H ATOM 754 HG3 GLU A 49 20.644 -2.163 10.721 1.00 0.00 H ATOM 755 H GLU A 49 21.906 0.588 7.576 1.00 0.00 H ATOM 756 N SER A 50 18.568 2.085 8.695 1.00 15.32 N ATOM 757 CA SER A 50 18.325 3.499 8.828 1.00 15.58 C ATOM 758 C SER A 50 19.245 4.136 9.854 1.00 15.33 C ATOM 759 O SER A 50 19.692 3.483 10.806 1.00 15.28 O ATOM 760 CB SER A 50 16.866 3.782 9.174 1.00 15.13 C ATOM 761 OG SER A 50 16.624 3.522 10.556 1.00 17.05 O ATOM 762 HA SER A 50 18.542 3.949 7.859 1.00 0.00 H ATOM 763 HB2 SER A 50 16.223 3.143 8.570 1.00 0.00 H ATOM 764 HB3 SER A 50 16.642 4.827 8.960 1.00 0.00 H ATOM 765 HG SER A 50 15.675 3.710 10.765 1.00 0.00 H ATOM 766 H SER A 50 17.809 1.408 8.913 1.00 0.00 H ATOM 767 N LEU A 51 19.550 5.408 9.661 1.00 16.20 N ATOM 768 CA LEU A 51 20.317 6.164 10.623 1.00 16.44 C ATOM 769 C LEU A 51 19.686 6.122 12.023 1.00 15.56 C ATOM 770 O LEU A 51 20.389 5.952 13.020 1.00 15.18 O ATOM 771 CB LEU A 51 20.527 7.613 10.172 1.00 16.93 C ATOM 772 CG LEU A 51 21.437 8.450 11.080 1.00 17.13 C ATOM 773 CD1 LEU A 51 22.860 7.878 11.199 1.00 18.26 C ATOM 774 CD2 LEU A 51 21.470 9.916 10.652 1.00 18.27 C ATOM 775 HA LEU A 51 21.294 5.685 10.683 1.00 0.00 H ATOM 776 HB2 LEU A 51 20.967 7.597 9.175 1.00 0.00 H ATOM 777 HB3 LEU A 51 19.552 8.099 10.130 1.00 0.00 H ATOM 778 HG LEU A 51 20.995 8.397 12.075 1.00 0.00 H ATOM 779 HD21 LEU A 51 21.845 9.987 9.631 1.00 0.00 H ATOM 780 HD22 LEU A 51 20.463 10.330 10.700 1.00 0.00 H ATOM 781 HD23 LEU A 51 22.126 10.474 11.321 1.00 0.00 H ATOM 782 HD11 LEU A 51 22.812 6.872 11.615 1.00 0.00 H ATOM 783 HD12 LEU A 51 23.320 7.843 10.211 1.00 0.00 H ATOM 784 HD13 LEU A 51 23.453 8.516 11.855 1.00 0.00 H ATOM 785 H LEU A 51 19.228 5.878 8.791 1.00 0.00 H ATOM 786 N ALA A 52 18.369 6.267 12.111 1.00 15.96 N ATOM 787 CA ALA A 52 17.722 6.302 13.412 1.00 15.25 C ATOM 788 C ALA A 52 17.920 4.951 14.091 1.00 15.08 C ATOM 789 O ALA A 52 18.127 4.885 15.318 1.00 15.64 O ATOM 790 CB ALA A 52 16.241 6.637 13.267 1.00 16.15 C ATOM 791 HA ALA A 52 18.169 7.082 14.028 1.00 0.00 H ATOM 792 HB1 ALA A 52 16.135 7.613 12.793 1.00 0.00 H ATOM 793 HB2 ALA A 52 15.757 5.879 12.652 1.00 0.00 H ATOM 794 HB3 ALA A 52 15.776 6.658 14.253 1.00 0.00 H ATOM 795 H ALA A 52 17.799 6.356 11.246 1.00 0.00 H ATOM 796 N ASP A 53 17.857 3.871 13.318 1.00 14.87 N ATOM 797 CA ASP A 53 18.039 2.535 13.904 1.00 14.77 C ATOM 798 C ASP A 53 19.446 2.305 14.440 1.00 13.37 C ATOM 799 O ASP A 53 19.616 1.629 15.461 1.00 13.72 O ATOM 800 CB ASP A 53 17.669 1.402 12.950 1.00 15.28 C ATOM 801 CG ASP A 53 16.175 1.229 12.795 1.00 17.61 C ATOM 802 OD1 ASP A 53 15.401 1.920 13.498 1.00 21.58 O ATOM 803 OD2 ASP A 53 15.791 0.375 11.977 1.00 19.80 O ATOM 804 HA ASP A 53 17.343 2.516 14.742 1.00 0.00 H ATOM 805 HB2 ASP A 53 18.098 1.617 11.971 1.00 0.00 H ATOM 806 HB3 ASP A 53 18.089 0.472 13.334 1.00 0.00 H ATOM 807 H ASP A 53 17.679 3.971 12.298 1.00 0.00 H ATOM 808 N VAL A 54 20.452 2.841 13.761 1.00 13.11 N ATOM 809 CA VAL A 54 21.825 2.693 14.234 1.00 12.25 C ATOM 810 C VAL A 54 22.068 3.624 15.428 1.00 12.20 C ATOM 811 O VAL A 54 22.658 3.219 16.438 1.00 11.52 O ATOM 812 CB VAL A 54 22.818 2.922 13.083 1.00 12.02 C ATOM 813 CG1 VAL A 54 24.249 2.857 13.593 1.00 12.71 C ATOM 814 CG2 VAL A 54 22.592 1.877 12.022 1.00 13.12 C ATOM 815 HA VAL A 54 21.987 1.673 14.584 1.00 0.00 H ATOM 816 HB VAL A 54 22.656 3.913 12.658 1.00 0.00 H ATOM 817 HG11 VAL A 54 24.399 3.627 14.349 1.00 0.00 H ATOM 818 HG12 VAL A 54 24.433 1.876 14.030 1.00 0.00 H ATOM 819 HG13 VAL A 54 24.937 3.021 12.764 1.00 0.00 H ATOM 820 HG21 VAL A 54 22.748 0.887 12.450 1.00 0.00 H ATOM 821 HG22 VAL A 54 21.571 1.956 11.648 1.00 0.00 H ATOM 822 HG23 VAL A 54 23.294 2.035 11.203 1.00 0.00 H ATOM 823 H VAL A 54 20.261 3.370 12.886 1.00 0.00 H ATOM 824 N GLN A 55 21.566 4.854 15.355 1.00 12.37 N ATOM 825 CA GLN A 55 21.644 5.757 16.489 1.00 12.61 C ATOM 826 C GLN A 55 21.000 5.176 17.749 1.00 12.18 C ATOM 827 O GLN A 55 21.513 5.360 18.860 1.00 13.39 O ATOM 828 CB GLN A 55 21.023 7.109 16.137 1.00 12.99 C ATOM 829 CG GLN A 55 21.902 7.892 15.173 1.00 13.10 C ATOM 830 CD GLN A 55 21.274 9.184 14.701 1.00 15.40 C ATOM 831 OE1 GLN A 55 21.982 10.106 14.285 1.00 18.40 O ATOM 832 NE2 GLN A 55 19.953 9.261 14.775 1.00 16.02 N ATOM 833 HA GLN A 55 22.701 5.898 16.714 1.00 0.00 H ATOM 834 HB2 GLN A 55 20.050 6.943 15.674 1.00 0.00 H ATOM 835 HB3 GLN A 55 20.895 7.689 17.051 1.00 0.00 H ATOM 836 HG2 GLN A 55 22.841 8.127 15.674 1.00 0.00 H ATOM 837 HG3 GLN A 55 22.103 7.267 14.303 1.00 0.00 H ATOM 838 HE22 GLN A 55 19.404 8.454 15.134 1.00 0.00 H ATOM 839 HE21 GLN A 55 19.465 10.129 14.474 1.00 0.00 H ATOM 840 H GLN A 55 21.112 5.172 14.475 1.00 0.00 H ATOM 841 N ALA A 56 19.899 4.460 17.566 1.00 12.06 N ATOM 842 CA ALA A 56 19.178 3.836 18.683 1.00 11.58 C ATOM 843 C ALA A 56 20.030 2.824 19.451 1.00 11.40 C ATOM 844 O ALA A 56 19.759 2.566 20.632 1.00 11.60 O ATOM 845 CB ALA A 56 17.932 3.172 18.188 1.00 12.21 C ATOM 846 HA ALA A 56 18.925 4.637 19.377 1.00 0.00 H ATOM 847 HB1 ALA A 56 17.288 3.915 17.718 1.00 0.00 H ATOM 848 HB2 ALA A 56 18.195 2.405 17.460 1.00 0.00 H ATOM 849 HB3 ALA A 56 17.408 2.714 19.027 1.00 0.00 H ATOM 850 H ALA A 56 19.534 4.336 16.600 1.00 0.00 H ATOM 851 N VAL A 57 21.034 2.235 18.796 1.00 10.21 N ATOM 852 CA VAL A 57 21.909 1.238 19.446 1.00 9.71 C ATOM 853 C VAL A 57 22.593 1.832 20.683 1.00 9.04 C ATOM 854 O VAL A 57 22.878 1.097 21.643 1.00 9.02 O ATOM 855 CB VAL A 57 22.915 0.614 18.444 1.00 9.96 C ATOM 856 CG1 VAL A 57 23.853 -0.403 19.115 1.00 9.31 C ATOM 857 CG2 VAL A 57 22.148 -0.091 17.323 1.00 11.12 C ATOM 858 HA VAL A 57 21.283 0.416 19.794 1.00 0.00 H ATOM 859 HB VAL A 57 23.525 1.427 18.049 1.00 0.00 H ATOM 860 HG11 VAL A 57 24.422 0.093 19.901 1.00 0.00 H ATOM 861 HG12 VAL A 57 23.262 -1.210 19.547 1.00 0.00 H ATOM 862 HG13 VAL A 57 24.537 -0.810 18.371 1.00 0.00 H ATOM 863 HG21 VAL A 57 21.524 -0.877 17.750 1.00 0.00 H ATOM 864 HG22 VAL A 57 21.519 0.632 16.804 1.00 0.00 H ATOM 865 HG23 VAL A 57 22.856 -0.529 16.620 1.00 0.00 H ATOM 866 H VAL A 57 21.204 2.485 17.801 1.00 0.00 H ATOM 867 N CYS A 58 22.797 3.150 20.703 1.00 9.44 N ATOM 868 CA CYS A 58 23.422 3.805 21.847 1.00 10.25 C ATOM 869 C CYS A 58 22.599 3.711 23.127 1.00 10.02 C ATOM 870 O CYS A 58 23.116 4.030 24.198 1.00 10.41 O ATOM 871 CB CYS A 58 23.716 5.267 21.568 1.00 10.55 C ATOM 872 SG CYS A 58 24.899 5.548 20.210 1.00 11.19 S ATOM 873 HA CYS A 58 24.353 3.260 22.002 1.00 0.00 H ATOM 874 HB2 CYS A 58 24.125 5.712 22.475 1.00 0.00 H ATOM 875 HB3 CYS A 58 22.779 5.761 21.312 1.00 0.00 H ATOM 876 H CYS A 58 22.504 3.723 19.886 1.00 0.00 H ATOM 877 N SER A 59 21.346 3.255 23.027 1.00 10.62 N ATOM 878 CA SER A 59 20.530 3.056 24.231 1.00 11.24 C ATOM 879 C SER A 59 20.177 1.585 24.430 1.00 10.90 C ATOM 880 O SER A 59 19.297 1.246 25.249 1.00 11.92 O ATOM 881 CB SER A 59 19.279 3.928 24.193 1.00 12.23 C ATOM 882 OG SER A 59 19.638 5.286 24.108 1.00 15.06 O ATOM 883 HA SER A 59 21.126 3.365 25.090 1.00 0.00 H ATOM 884 HB2 SER A 59 18.698 3.765 25.100 1.00 0.00 H ATOM 885 HB3 SER A 59 18.678 3.659 23.325 1.00 0.00 H ATOM 886 HG SER A 59 20.164 5.436 23.283 1.00 0.00 H ATOM 887 H SER A 59 20.947 3.040 22.091 1.00 0.00 H ATOM 888 N GLN A 60 20.884 0.709 23.697 1.00 9.45 N ATOM 889 CA GLN A 60 20.643 -0.745 23.747 1.00 9.72 C ATOM 890 C GLN A 60 21.609 -1.459 24.716 1.00 10.01 C ATOM 891 O GLN A 60 21.826 -0.909 25.784 1.00 10.73 O ATOM 892 CB GLN A 60 20.563 -1.296 22.322 1.00 9.93 C ATOM 893 CG GLN A 60 19.366 -0.636 21.618 1.00 10.70 C ATOM 894 CD GLN A 60 19.098 -1.128 20.208 1.00 11.13 C ATOM 895 OE1 GLN A 60 19.607 -2.164 19.764 1.00 11.59 O ATOM 896 NE2 GLN A 60 18.300 -0.358 19.486 1.00 12.72 N ATOM 897 HA GLN A 60 19.671 -0.960 24.192 1.00 0.00 H ATOM 898 HB2 GLN A 60 21.482 -1.063 21.784 1.00 0.00 H ATOM 899 HB3 GLN A 60 20.424 -2.377 22.351 1.00 0.00 H ATOM 900 HG2 GLN A 60 18.475 -0.825 22.217 1.00 0.00 H ATOM 901 HG3 GLN A 60 19.550 0.437 21.572 1.00 0.00 H ATOM 902 HE22 GLN A 60 17.894 0.505 19.901 1.00 0.00 H ATOM 903 HE21 GLN A 60 18.078 -0.616 18.503 1.00 0.00 H ATOM 904 H GLN A 60 21.631 1.070 23.070 1.00 0.00 H ATOM 905 N LYS A 61 22.166 -2.622 24.376 1.00 9.49 N ATOM 906 CA LYS A 61 22.889 -3.418 25.385 1.00 10.51 C ATOM 907 C LYS A 61 24.310 -2.911 25.611 1.00 9.25 C ATOM 908 O LYS A 61 25.148 -3.008 24.726 1.00 9.18 O ATOM 909 CB LYS A 61 22.946 -4.900 25.001 1.00 10.39 C ATOM 910 CG LYS A 61 23.528 -5.778 26.103 1.00 13.18 C ATOM 911 CD LYS A 61 23.673 -7.238 25.701 1.00 14.77 C ATOM 912 CE LYS A 61 24.350 -8.027 26.838 1.00 20.59 C ATOM 913 NZ LYS A 61 24.260 -9.510 26.703 1.00 24.69 N ATOM 914 HA LYS A 61 22.326 -3.306 26.311 1.00 0.00 H ATOM 915 HB2 LYS A 61 21.934 -5.242 24.782 1.00 0.00 H ATOM 916 HB3 LYS A 61 23.565 -5.005 24.110 1.00 0.00 H ATOM 917 HG2 LYS A 61 24.513 -5.393 26.368 1.00 0.00 H ATOM 918 HG3 LYS A 61 22.872 -5.722 26.972 1.00 0.00 H ATOM 919 HD2 LYS A 61 22.687 -7.659 25.505 1.00 0.00 H ATOM 920 HD3 LYS A 61 24.282 -7.307 24.800 1.00 0.00 H ATOM 921 HE2 LYS A 61 23.878 -7.742 27.778 1.00 0.00 H ATOM 922 HE3 LYS A 61 25.404 -7.751 26.863 1.00 0.00 H ATOM 923 HZ1 LYS A 61 23.260 -9.796 26.690 1.00 0.00 H ATOM 924 HZ2 LYS A 61 24.717 -9.805 25.817 1.00 0.00 H ATOM 925 HZ3 LYS A 61 24.740 -9.960 27.508 1.00 0.00 H ATOM 926 H LYS A 61 22.090 -2.968 23.398 1.00 0.00 H ATOM 927 N ASN A 62 24.590 -2.396 26.807 1.00 9.12 N ATOM 928 CA ASN A 62 25.927 -1.860 27.109 1.00 8.75 C ATOM 929 C ASN A 62 26.891 -3.047 27.262 1.00 9.06 C ATOM 930 O ASN A 62 26.622 -3.972 28.043 1.00 10.25 O ATOM 931 CB ASN A 62 25.855 -0.989 28.382 1.00 9.44 C ATOM 932 CG ASN A 62 27.150 -0.222 28.719 1.00 10.61 C ATOM 933 OD1 ASN A 62 27.358 0.117 29.892 1.00 13.61 O ATOM 934 ND2 ASN A 62 27.976 0.106 27.740 1.00 9.83 N ATOM 935 HA ASN A 62 26.293 -1.220 26.306 1.00 0.00 H ATOM 936 HB2 ASN A 62 25.055 -0.261 28.249 1.00 0.00 H ATOM 937 HB3 ASN A 62 25.617 -1.639 29.224 1.00 0.00 H ATOM 938 HD22 ASN A 62 27.773 -0.194 26.765 1.00 0.00 H ATOM 939 HD21 ASN A 62 28.829 0.664 27.945 1.00 0.00 H ATOM 940 H ASN A 62 23.852 -2.372 27.539 1.00 0.00 H ATOM 941 N VAL A 63 27.987 -3.029 26.499 1.00 7.69 N ATOM 942 CA VAL A 63 29.007 -4.078 26.530 1.00 7.60 C ATOM 943 C VAL A 63 30.387 -3.423 26.530 1.00 7.78 C ATOM 944 O VAL A 63 30.534 -2.287 26.103 1.00 8.46 O ATOM 945 CB VAL A 63 28.898 -5.047 25.312 1.00 7.91 C ATOM 946 CG1 VAL A 63 27.557 -5.805 25.316 1.00 9.33 C ATOM 947 CG2 VAL A 63 29.131 -4.335 23.977 1.00 8.43 C ATOM 948 HA VAL A 63 28.853 -4.669 27.433 1.00 0.00 H ATOM 949 HB VAL A 63 29.698 -5.780 25.422 1.00 0.00 H ATOM 950 HG11 VAL A 63 27.474 -6.389 26.232 1.00 0.00 H ATOM 951 HG12 VAL A 63 26.736 -5.089 25.264 1.00 0.00 H ATOM 952 HG13 VAL A 63 27.515 -6.471 24.454 1.00 0.00 H ATOM 953 HG21 VAL A 63 28.386 -3.550 23.851 1.00 0.00 H ATOM 954 HG22 VAL A 63 30.129 -3.896 23.970 1.00 0.00 H ATOM 955 HG23 VAL A 63 29.044 -5.055 23.163 1.00 0.00 H ATOM 956 H VAL A 63 28.123 -2.228 25.849 1.00 0.00 H ATOM 957 N ALA A 64 31.393 -4.133 27.011 1.00 7.75 N ATOM 958 CA ALA A 64 32.750 -3.607 26.971 1.00 7.62 C ATOM 959 C ALA A 64 33.243 -3.467 25.540 1.00 7.79 C ATOM 960 O ALA A 64 32.982 -4.328 24.694 1.00 7.87 O ATOM 961 CB ALA A 64 33.687 -4.484 27.794 1.00 8.52 C ATOM 962 HA ALA A 64 32.742 -2.610 27.413 1.00 0.00 H ATOM 963 HB1 ALA A 64 33.346 -4.507 28.829 1.00 0.00 H ATOM 964 HB2 ALA A 64 33.686 -5.495 27.388 1.00 0.00 H ATOM 965 HB3 ALA A 64 34.696 -4.075 27.752 1.00 0.00 H ATOM 966 H ALA A 64 31.214 -5.072 27.420 1.00 0.00 H ATOM 967 N CYS A 65 33.978 -2.391 25.277 1.00 8.22 N ATOM 968 CA CYS A 65 34.631 -2.197 23.987 1.00 8.22 C ATOM 969 C CYS A 65 35.903 -2.997 23.944 1.00 7.93 C ATOM 970 O CYS A 65 36.519 -3.241 24.986 1.00 9.28 O ATOM 971 CB CYS A 65 35.026 -0.722 23.803 1.00 8.82 C ATOM 972 SG CYS A 65 33.666 0.436 23.944 1.00 9.75 S ATOM 973 HA CYS A 65 33.936 -2.508 23.207 1.00 0.00 H ATOM 974 HB2 CYS A 65 35.468 -0.609 22.813 1.00 0.00 H ATOM 975 HB3 CYS A 65 35.767 -0.471 24.562 1.00 0.00 H ATOM 976 H CYS A 65 34.091 -1.665 26.013 1.00 0.00 H ATOM 977 N LYS A 66 36.362 -3.329 22.741 1.00 8.60 N ATOM 978 CA LYS A 66 37.591 -4.105 22.598 1.00 10.08 C ATOM 979 C LYS A 66 38.800 -3.483 23.293 1.00 10.65 C ATOM 980 O LYS A 66 39.654 -4.208 23.803 1.00 11.54 O ATOM 981 CB LYS A 66 37.894 -4.347 21.120 1.00 10.86 C ATOM 982 CG LYS A 66 37.020 -5.401 20.462 1.00 12.44 C ATOM 983 CD LYS A 66 37.172 -5.387 18.939 1.00 16.13 C ATOM 984 CE LYS A 66 36.424 -6.538 18.294 1.00 21.86 C ATOM 985 NZ LYS A 66 36.417 -6.404 16.804 1.00 25.73 N ATOM 986 HA LYS A 66 37.410 -5.054 23.102 1.00 0.00 H ATOM 987 HB2 LYS A 66 37.755 -3.407 20.585 1.00 0.00 H ATOM 988 HB3 LYS A 66 38.933 -4.663 21.033 1.00 0.00 H ATOM 989 HG2 LYS A 66 37.306 -6.383 20.838 1.00 0.00 H ATOM 990 HG3 LYS A 66 35.978 -5.206 20.716 1.00 0.00 H ATOM 991 HD2 LYS A 66 36.778 -4.447 18.552 1.00 0.00 H ATOM 992 HD3 LYS A 66 38.230 -5.467 18.688 1.00 0.00 H ATOM 993 HE2 LYS A 66 35.396 -6.544 18.657 1.00 0.00 H ATOM 994 HE3 LYS A 66 36.909 -7.476 18.566 1.00 0.00 H ATOM 995 HZ1 LYS A 66 35.951 -5.513 16.540 1.00 0.00 H ATOM 996 HZ2 LYS A 66 37.396 -6.403 16.453 1.00 0.00 H ATOM 997 HZ3 LYS A 66 35.899 -7.204 16.388 1.00 0.00 H ATOM 998 H LYS A 66 35.840 -3.033 21.892 1.00 0.00 H ATOM 999 N ASN A 67 38.862 -2.149 23.321 1.00 11.26 N ATOM 1000 CA ASN A 67 39.998 -1.443 23.936 1.00 11.99 C ATOM 1001 C ASN A 67 39.848 -1.254 25.438 1.00 12.72 C ATOM 1002 O ASN A 67 40.679 -0.595 26.075 1.00 13.94 O ATOM 1003 CB ASN A 67 40.223 -0.082 23.257 1.00 12.48 C ATOM 1004 CG ASN A 67 39.144 0.947 23.599 1.00 12.85 C ATOM 1005 OD1 ASN A 67 38.200 0.665 24.324 1.00 12.92 O ATOM 1006 ND2 ASN A 67 39.298 2.169 23.064 1.00 17.01 N ATOM 1007 HA ASN A 67 40.869 -2.080 23.782 1.00 0.00 H ATOM 1008 HB2 ASN A 67 41.189 0.309 23.576 1.00 0.00 H ATOM 1009 HB3 ASN A 67 40.231 -0.230 22.177 1.00 0.00 H ATOM 1010 HD22 ASN A 67 40.115 2.370 22.452 1.00 0.00 H ATOM 1011 HD21 ASN A 67 38.601 2.915 23.262 1.00 0.00 H ATOM 1012 H ASN A 67 38.089 -1.596 22.898 1.00 0.00 H ATOM 1013 N GLY A 68 38.788 -1.800 26.019 1.00 11.79 N ATOM 1014 CA GLY A 68 38.598 -1.694 27.445 1.00 12.09 C ATOM 1015 C GLY A 68 37.718 -0.565 27.917 1.00 11.74 C ATOM 1016 O GLY A 68 37.328 -0.538 29.079 1.00 12.15 O ATOM 1017 HA3 GLY A 68 39.579 -1.565 27.903 1.00 0.00 H ATOM 1018 HA2 GLY A 68 38.156 -2.628 27.792 1.00 0.00 H ATOM 1019 H GLY A 68 38.088 -2.309 25.442 1.00 0.00 H ATOM 1020 N GLN A 69 37.392 0.354 27.008 1.00 11.75 N ATOM 1021 CA GLN A 69 36.428 1.408 27.324 1.00 12.16 C ATOM 1022 C GLN A 69 35.042 0.793 27.553 1.00 10.68 C ATOM 1023 O GLN A 69 34.781 -0.348 27.122 1.00 11.76 O ATOM 1024 CB GLN A 69 36.365 2.459 26.203 1.00 11.41 C ATOM 1025 CG GLN A 69 37.657 3.307 26.039 1.00 14.83 C ATOM 1026 CD GLN A 69 37.536 4.376 24.937 1.00 16.70 C ATOM 1027 OE1 GLN A 69 38.283 4.373 23.963 1.00 22.08 O ATOM 1028 NE2 GLN A 69 36.606 5.297 25.115 1.00 21.88 N ATOM 1029 HA GLN A 69 36.755 1.910 28.235 1.00 0.00 H ATOM 1030 HB2 GLN A 69 36.175 1.942 25.262 1.00 0.00 H ATOM 1031 HB3 GLN A 69 35.538 3.136 26.417 1.00 0.00 H ATOM 1032 HG2 GLN A 69 37.869 3.805 26.985 1.00 0.00 H ATOM 1033 HG3 GLN A 69 38.482 2.640 25.788 1.00 0.00 H ATOM 1034 HE22 GLN A 69 35.994 5.262 25.955 1.00 0.00 H ATOM 1035 HE21 GLN A 69 36.486 6.057 24.415 1.00 0.00 H ATOM 1036 H GLN A 69 37.828 0.321 26.064 1.00 0.00 H ATOM 1037 N THR A 70 34.169 1.529 28.237 1.00 10.80 N ATOM 1038 CA THR A 70 32.906 0.982 28.718 1.00 11.15 C ATOM 1039 C THR A 70 31.697 1.434 27.904 1.00 10.32 C ATOM 1040 O THR A 70 30.552 1.104 28.228 1.00 11.60 O ATOM 1041 CB THR A 70 32.648 1.354 30.205 1.00 12.24 C ATOM 1042 OG1 THR A 70 32.512 2.774 30.326 1.00 15.51 O ATOM 1043 CG2 THR A 70 33.793 0.876 31.066 1.00 14.62 C ATOM 1044 HA THR A 70 33.015 -0.097 28.607 1.00 0.00 H ATOM 1045 HB THR A 70 31.730 0.871 30.539 1.00 0.00 H ATOM 1046 HG1 THR A 70 31.751 3.080 29.772 1.00 0.00 H ATOM 1047 HG23 THR A 70 33.892 -0.205 30.970 1.00 0.00 H ATOM 1048 HG21 THR A 70 34.716 1.357 30.741 1.00 0.00 H ATOM 1049 HG22 THR A 70 33.595 1.133 32.107 1.00 0.00 H ATOM 1050 H THR A 70 34.395 2.525 28.434 1.00 0.00 H ATOM 1051 N ASN A 71 31.958 2.253 26.898 1.00 8.81 N ATOM 1052 CA ASN A 71 30.883 2.927 26.165 1.00 7.79 C ATOM 1053 C ASN A 71 30.484 2.271 24.848 1.00 7.15 C ATOM 1054 O ASN A 71 30.161 2.967 23.886 1.00 8.17 O ATOM 1055 CB ASN A 71 31.251 4.404 25.918 1.00 9.25 C ATOM 1056 CG ASN A 71 32.477 4.552 25.019 1.00 10.18 C ATOM 1057 OD1 ASN A 71 33.487 3.849 25.172 1.00 12.47 O ATOM 1058 ND2 ASN A 71 32.399 5.468 24.076 1.00 9.44 N ATOM 1059 HA ASN A 71 30.008 2.844 26.810 1.00 0.00 H ATOM 1060 HB2 ASN A 71 30.405 4.902 25.443 1.00 0.00 H ATOM 1061 HB3 ASN A 71 31.459 4.879 26.877 1.00 0.00 H ATOM 1062 HD22 ASN A 71 31.536 6.040 23.977 1.00 0.00 H ATOM 1063 HD21 ASN A 71 33.200 5.620 23.431 1.00 0.00 H ATOM 1064 H ASN A 71 32.946 2.422 26.622 1.00 0.00 H ATOM 1065 N CYS A 72 30.513 0.941 24.813 1.00 7.28 N ATOM 1066 CA CYS A 72 30.034 0.221 23.646 1.00 6.77 C ATOM 1067 C CYS A 72 28.651 -0.358 23.843 1.00 6.74 C ATOM 1068 O CYS A 72 28.212 -0.602 24.983 1.00 7.08 O ATOM 1069 CB CYS A 72 31.042 -0.850 23.233 1.00 7.85 C ATOM 1070 SG CYS A 72 32.471 -0.116 22.373 1.00 8.62 S ATOM 1071 HA CYS A 72 29.942 0.942 22.833 1.00 0.00 H ATOM 1072 HB2 CYS A 72 30.553 -1.561 22.567 1.00 0.00 H ATOM 1073 HB3 CYS A 72 31.392 -1.371 24.124 1.00 0.00 H ATOM 1074 H CYS A 72 30.882 0.412 25.629 1.00 0.00 H ATOM 1075 N TYR A 73 27.954 -0.536 22.720 1.00 6.98 N ATOM 1076 CA TYR A 73 26.550 -0.929 22.762 1.00 7.56 C ATOM 1077 C TYR A 73 26.302 -1.906 21.653 1.00 7.24 C ATOM 1078 O TYR A 73 26.712 -1.691 20.504 1.00 8.20 O ATOM 1079 CB TYR A 73 25.622 0.284 22.617 1.00 8.51 C ATOM 1080 CG TYR A 73 25.817 1.218 23.782 1.00 8.13 C ATOM 1081 CD1 TYR A 73 26.799 2.197 23.731 1.00 8.38 C ATOM 1082 CD2 TYR A 73 25.054 1.101 24.947 1.00 10.09 C ATOM 1083 CE1 TYR A 73 27.051 3.037 24.801 1.00 10.02 C ATOM 1084 CE2 TYR A 73 25.302 1.933 26.040 1.00 9.68 C ATOM 1085 CZ TYR A 73 26.306 2.903 25.946 1.00 10.14 C ATOM 1086 OH TYR A 73 26.589 3.766 26.986 1.00 12.75 O ATOM 1087 HA TYR A 73 26.335 -1.386 23.728 1.00 0.00 H ATOM 1088 HB3 TYR A 73 24.586 -0.054 22.593 1.00 0.00 H ATOM 1089 HB2 TYR A 73 25.854 0.808 21.690 1.00 0.00 H ATOM 1090 HD2 TYR A 73 24.261 0.356 25.002 1.00 0.00 H ATOM 1091 HE2 TYR A 73 24.720 1.828 26.956 1.00 0.00 H ATOM 1092 HE1 TYR A 73 27.831 3.795 24.736 1.00 0.00 H ATOM 1093 HD1 TYR A 73 27.389 2.307 22.821 1.00 0.00 H ATOM 1094 HH TYR A 73 25.783 4.301 27.198 1.00 0.00 H ATOM 1095 H TYR A 73 28.418 -0.392 21.801 1.00 0.00 H ATOM 1096 N GLN A 74 25.630 -2.992 22.003 1.00 7.48 N ATOM 1097 CA GLN A 74 25.310 -4.042 21.047 1.00 8.08 C ATOM 1098 C GLN A 74 23.829 -4.000 20.673 1.00 8.40 C ATOM 1099 O GLN A 74 22.971 -3.870 21.527 1.00 9.32 O ATOM 1100 CB GLN A 74 25.645 -5.407 21.640 1.00 7.65 C ATOM 1101 CG GLN A 74 25.339 -6.594 20.720 1.00 9.79 C ATOM 1102 CD GLN A 74 25.865 -7.874 21.315 1.00 13.31 C ATOM 1103 OE1 GLN A 74 26.971 -7.908 21.863 1.00 16.36 O ATOM 1104 NE2 GLN A 74 25.096 -8.942 21.189 1.00 17.25 N ATOM 1105 HA GLN A 74 25.905 -3.878 20.148 1.00 0.00 H ATOM 1106 HB2 GLN A 74 26.709 -5.424 21.875 1.00 0.00 H ATOM 1107 HB3 GLN A 74 25.069 -5.530 22.557 1.00 0.00 H ATOM 1108 HG2 GLN A 74 24.260 -6.677 20.588 1.00 0.00 H ATOM 1109 HG3 GLN A 74 25.811 -6.428 19.751 1.00 0.00 H ATOM 1110 HE22 GLN A 74 24.171 -8.864 20.719 1.00 0.00 H ATOM 1111 HE21 GLN A 74 25.416 -9.860 21.560 1.00 0.00 H ATOM 1112 H GLN A 74 25.322 -3.098 22.991 1.00 0.00 H ATOM 1113 N SER A 75 23.546 -4.066 19.376 1.00 9.01 N ATOM 1114 CA SER A 75 22.156 -4.016 18.909 1.00 10.06 C ATOM 1115 C SER A 75 21.389 -5.241 19.371 1.00 10.73 C ATOM 1116 O SER A 75 21.901 -6.354 19.300 1.00 10.10 O ATOM 1117 CB SER A 75 22.130 -3.859 17.372 1.00 11.20 C ATOM 1118 OG SER A 75 22.674 -4.976 16.689 1.00 11.10 O ATOM 1119 HA SER A 75 21.658 -3.150 19.345 1.00 0.00 H ATOM 1120 HB2 SER A 75 22.706 -2.974 17.104 1.00 0.00 H ATOM 1121 HB3 SER A 75 21.096 -3.728 17.054 1.00 0.00 H ATOM 1122 HG SER A 75 22.153 -5.786 16.917 1.00 0.00 H ATOM 1123 H SER A 75 24.318 -4.154 18.685 1.00 0.00 H ATOM 1124 N TYR A 76 20.154 -5.031 19.832 1.00 10.29 N ATOM 1125 CA TYR A 76 19.317 -6.182 20.231 1.00 11.48 C ATOM 1126 C TYR A 76 18.936 -7.055 19.033 1.00 13.34 C ATOM 1127 O TYR A 76 18.862 -8.273 19.137 1.00 14.17 O ATOM 1128 CB TYR A 76 18.049 -5.732 20.957 1.00 11.26 C ATOM 1129 CG TYR A 76 18.348 -5.131 22.310 1.00 10.72 C ATOM 1130 CD1 TYR A 76 19.002 -5.886 23.284 1.00 10.36 C ATOM 1131 CD2 TYR A 76 17.958 -3.819 22.627 1.00 11.42 C ATOM 1132 CE1 TYR A 76 19.286 -5.351 24.550 1.00 10.09 C ATOM 1133 CE2 TYR A 76 18.230 -3.273 23.892 1.00 11.38 C ATOM 1134 CZ TYR A 76 18.909 -4.045 24.837 1.00 10.91 C ATOM 1135 OH TYR A 76 19.188 -3.512 26.076 1.00 11.47 O ATOM 1136 HA TYR A 76 19.923 -6.777 20.915 1.00 0.00 H ATOM 1137 HB3 TYR A 76 17.397 -6.595 21.092 1.00 0.00 H ATOM 1138 HB2 TYR A 76 17.540 -4.986 20.346 1.00 0.00 H ATOM 1139 HD2 TYR A 76 17.438 -3.217 21.882 1.00 0.00 H ATOM 1140 HE2 TYR A 76 17.915 -2.258 24.133 1.00 0.00 H ATOM 1141 HE1 TYR A 76 19.797 -5.954 25.300 1.00 0.00 H ATOM 1142 HD1 TYR A 76 19.298 -6.910 23.058 1.00 0.00 H ATOM 1143 HH TYR A 76 19.753 -2.706 25.968 1.00 0.00 H ATOM 1144 H TYR A 76 19.783 -4.063 19.910 1.00 0.00 H ATOM 1145 N SER A 77 18.725 -6.408 17.897 1.00 14.73 N ATOM 1146 CA SER A 77 18.392 -7.107 16.657 1.00 16.00 C ATOM 1147 C SER A 77 19.612 -7.265 15.753 1.00 16.00 C ATOM 1148 O SER A 77 20.560 -6.487 15.849 1.00 15.25 O ATOM 1149 CB SER A 77 17.290 -6.337 15.941 1.00 17.19 C ATOM 1150 OG SER A 77 16.083 -6.392 16.681 1.00 20.46 O ATOM 1151 HA SER A 77 18.046 -8.111 16.901 1.00 0.00 H ATOM 1152 HB2 SER A 77 17.127 -6.776 14.956 1.00 0.00 H ATOM 1153 HB3 SER A 77 17.595 -5.297 15.828 1.00 0.00 H ATOM 1154 HG SER A 77 15.380 -5.887 16.201 1.00 0.00 H ATOM 1155 H SER A 77 18.798 -5.371 17.887 1.00 0.00 H ATOM 1156 N THR A 78 19.618 -8.269 14.879 1.00 16.32 N ATOM 1157 CA THR A 78 20.650 -8.313 13.846 1.00 16.88 C ATOM 1158 C THR A 78 20.363 -7.194 12.867 1.00 16.12 C ATOM 1159 O THR A 78 19.243 -6.693 12.774 1.00 16.47 O ATOM 1160 CB THR A 78 20.697 -9.634 13.058 1.00 17.42 C ATOM 1161 OG1 THR A 78 19.433 -9.854 12.414 1.00 19.28 O ATOM 1162 CG2 THR A 78 21.054 -10.809 13.965 1.00 18.18 C ATOM 1163 HA THR A 78 21.612 -8.214 14.348 1.00 0.00 H ATOM 1164 HB THR A 78 21.477 -9.560 12.300 1.00 0.00 H ATOM 1165 HG1 THR A 78 19.465 -10.704 11.908 1.00 0.00 H ATOM 1166 HG23 THR A 78 22.016 -10.619 14.442 1.00 0.00 H ATOM 1167 HG21 THR A 78 20.285 -10.924 14.729 1.00 0.00 H ATOM 1168 HG22 THR A 78 21.116 -11.720 13.370 1.00 0.00 H ATOM 1169 H THR A 78 18.895 -9.015 14.931 1.00 0.00 H ATOM 1170 N MET A 79 21.426 -6.766 12.199 1.00 15.62 N ATOM 1171 CA MET A 79 21.372 -5.731 11.188 1.00 15.22 C ATOM 1172 C MET A 79 22.085 -6.198 9.941 1.00 15.14 C ATOM 1173 O MET A 79 23.017 -7.003 10.017 1.00 14.79 O ATOM 1174 CB MET A 79 22.049 -4.467 11.722 1.00 14.94 C ATOM 1175 CG MET A 79 21.237 -3.824 12.817 1.00 16.56 C ATOM 1176 SD MET A 79 21.912 -2.238 13.281 1.00 16.04 S ATOM 1177 CE MET A 79 20.588 -1.636 14.324 1.00 14.87 C ATOM 1178 HA MET A 79 20.332 -5.515 10.946 1.00 0.00 H ATOM 1179 HB2 MET A 79 23.030 -4.731 12.117 1.00 0.00 H ATOM 1180 HB3 MET A 79 22.167 -3.756 10.904 1.00 0.00 H ATOM 1181 HG2 MET A 79 21.236 -4.478 13.689 1.00 0.00 H ATOM 1182 HG3 MET A 79 20.214 -3.686 12.466 1.00 0.00 H ATOM 1183 HE1 MET A 79 19.668 -1.575 13.742 1.00 0.00 H ATOM 1184 HE2 MET A 79 20.446 -2.321 15.160 1.00 0.00 H ATOM 1185 HE3 MET A 79 20.846 -0.647 14.702 1.00 0.00 H ATOM 1186 H MET A 79 22.348 -7.197 12.413 1.00 0.00 H ATOM 1187 N SER A 80 21.612 -5.693 8.801 1.00 15.48 N ATOM 1188 CA SER A 80 22.277 -5.888 7.521 1.00 15.79 C ATOM 1189 C SER A 80 23.581 -5.090 7.466 1.00 15.12 C ATOM 1190 O SER A 80 23.563 -3.868 7.600 1.00 15.75 O ATOM 1191 CB SER A 80 21.339 -5.468 6.385 1.00 15.96 C ATOM 1192 OG SER A 80 21.986 -5.572 5.121 1.00 18.83 O ATOM 1193 HA SER A 80 22.523 -6.944 7.405 1.00 0.00 H ATOM 1194 HB2 SER A 80 21.029 -4.435 6.543 1.00 0.00 H ATOM 1195 HB3 SER A 80 20.461 -6.114 6.390 1.00 0.00 H ATOM 1196 HG SER A 80 21.359 -5.295 4.407 1.00 0.00 H ATOM 1197 H SER A 80 20.733 -5.138 8.828 1.00 0.00 H ATOM 1198 N ILE A 81 24.690 -5.806 7.290 1.00 15.01 N ATOM 1199 CA ILE A 81 26.033 -5.182 7.226 1.00 14.71 C ATOM 1200 C ILE A 81 26.847 -5.737 6.052 1.00 15.50 C ATOM 1201 O ILE A 81 26.542 -6.807 5.524 1.00 17.00 O ATOM 1202 CB ILE A 81 26.848 -5.356 8.551 1.00 14.61 C ATOM 1203 CG1 ILE A 81 27.233 -6.824 8.792 1.00 14.04 C ATOM 1204 CG2 ILE A 81 26.087 -4.757 9.725 1.00 15.08 C ATOM 1205 CD1 ILE A 81 28.186 -7.047 9.962 1.00 15.54 C ATOM 1206 HA ILE A 81 25.859 -4.116 7.079 1.00 0.00 H ATOM 1207 HB ILE A 81 27.785 -4.808 8.452 1.00 0.00 H ATOM 1208 HG12 ILE A 81 26.320 -7.388 8.984 1.00 0.00 H ATOM 1209 HG13 ILE A 81 27.709 -7.204 7.888 1.00 0.00 H ATOM 1210 HD11 ILE A 81 29.113 -6.502 9.783 1.00 0.00 H ATOM 1211 HD12 ILE A 81 27.723 -6.686 10.880 1.00 0.00 H ATOM 1212 HD13 ILE A 81 28.401 -8.111 10.056 1.00 0.00 H ATOM 1213 HG21 ILE A 81 25.923 -3.694 9.546 1.00 0.00 H ATOM 1214 HG22 ILE A 81 25.127 -5.262 9.829 1.00 0.00 H ATOM 1215 HG23 ILE A 81 26.669 -4.887 10.638 1.00 0.00 H ATOM 1216 H ILE A 81 24.611 -6.839 7.194 1.00 0.00 H ATOM 1217 N THR A 82 27.876 -5.003 5.652 1.00 15.29 N ATOM 1218 CA THR A 82 28.848 -5.515 4.698 1.00 15.47 C ATOM 1219 C THR A 82 30.233 -5.268 5.277 1.00 14.68 C ATOM 1220 O THR A 82 30.565 -4.122 5.616 1.00 13.94 O ATOM 1221 CB THR A 82 28.719 -4.826 3.337 1.00 15.91 C ATOM 1222 OG1 THR A 82 27.381 -4.994 2.836 1.00 16.53 O ATOM 1223 CG2 THR A 82 29.714 -5.426 2.337 1.00 16.51 C ATOM 1224 HA THR A 82 28.674 -6.579 4.536 1.00 0.00 H ATOM 1225 HB THR A 82 28.937 -3.765 3.461 1.00 0.00 H ATOM 1226 HG1 THR A 82 26.739 -4.590 3.472 1.00 0.00 H ATOM 1227 HG23 THR A 82 30.728 -5.299 2.715 1.00 0.00 H ATOM 1228 HG21 THR A 82 29.503 -6.488 2.209 1.00 0.00 H ATOM 1229 HG22 THR A 82 29.616 -4.916 1.379 1.00 0.00 H ATOM 1230 H THR A 82 27.991 -4.040 6.028 1.00 0.00 H ATOM 1231 N ASP A 83 31.018 -6.333 5.401 1.00 14.60 N ATOM 1232 CA ASP A 83 32.412 -6.210 5.810 1.00 15.27 C ATOM 1233 C ASP A 83 33.300 -6.098 4.591 1.00 15.16 C ATOM 1234 O ASP A 83 33.130 -6.850 3.623 1.00 15.48 O ATOM 1235 CB ASP A 83 32.862 -7.416 6.631 1.00 16.06 C ATOM 1236 CG ASP A 83 32.222 -7.471 7.988 1.00 18.73 C ATOM 1237 OD1 ASP A 83 32.127 -6.414 8.628 1.00 20.66 O ATOM 1238 OD2 ASP A 83 31.825 -8.585 8.405 1.00 24.33 O ATOM 1239 HA ASP A 83 32.495 -5.314 6.425 1.00 0.00 H ATOM 1240 HB2 ASP A 83 32.602 -8.324 6.087 1.00 0.00 H ATOM 1241 HB3 ASP A 83 33.943 -7.367 6.758 1.00 0.00 H ATOM 1242 H ASP A 83 30.629 -7.277 5.202 1.00 0.00 H ATOM 1243 N CYS A 84 34.247 -5.165 4.650 1.00 14.82 N ATOM 1244 CA CYS A 84 35.250 -4.969 3.609 1.00 15.39 C ATOM 1245 C CYS A 84 36.605 -5.278 4.192 1.00 16.08 C ATOM 1246 O CYS A 84 36.983 -4.702 5.209 1.00 16.44 O ATOM 1247 CB CYS A 84 35.242 -3.519 3.142 1.00 14.72 C ATOM 1248 SG CYS A 84 33.660 -3.036 2.434 1.00 14.89 S ATOM 1249 HA CYS A 84 35.030 -5.621 2.764 1.00 0.00 H ATOM 1250 HB2 CYS A 84 36.018 -3.390 2.387 1.00 0.00 H ATOM 1251 HB3 CYS A 84 35.456 -2.875 3.995 1.00 0.00 H ATOM 1252 H CYS A 84 34.273 -4.542 5.483 1.00 0.00 H ATOM 1253 N ARG A 85 37.330 -6.197 3.574 1.00 17.81 N ATOM 1254 CA ARG A 85 38.638 -6.585 4.086 1.00 19.79 C ATOM 1255 C ARG A 85 39.630 -6.564 2.939 1.00 19.85 C ATOM 1256 O ARG A 85 39.384 -7.174 1.887 1.00 19.42 O ATOM 1257 CB ARG A 85 38.591 -7.968 4.746 1.00 20.30 C ATOM 1258 CG ARG A 85 39.928 -8.452 5.285 1.00 22.52 C ATOM 1259 CD ARG A 85 39.802 -9.815 5.956 1.00 23.39 C ATOM 1260 NE ARG A 85 38.787 -9.832 7.016 1.00 29.87 N ATOM 1261 CZ ARG A 85 39.022 -9.566 8.300 1.00 31.07 C ATOM 1262 NH1 ARG A 85 38.026 -9.611 9.178 1.00 33.13 N ATOM 1263 NH2 ARG A 85 40.243 -9.248 8.712 1.00 32.94 N ATOM 1264 HA ARG A 85 38.949 -5.878 4.855 1.00 0.00 H ATOM 1265 HB2 ARG A 85 37.884 -7.927 5.574 1.00 0.00 H ATOM 1266 HB3 ARG A 85 38.241 -8.688 4.006 1.00 0.00 H ATOM 1267 HG2 ARG A 85 40.636 -8.528 4.460 1.00 0.00 H ATOM 1268 HG3 ARG A 85 40.298 -7.731 6.014 1.00 0.00 H ATOM 1269 HD2 ARG A 85 40.766 -10.080 6.391 1.00 0.00 H ATOM 1270 HD3 ARG A 85 39.530 -10.552 5.201 1.00 0.00 H ATOM 1271 HE ARG A 85 37.812 -10.069 6.744 1.00 0.00 H ATOM 1272 HH12 ARG A 85 38.207 -9.404 10.181 1.00 0.00 H ATOM 1273 HH11 ARG A 85 37.065 -9.854 8.862 1.00 0.00 H ATOM 1274 HH22 ARG A 85 40.416 -9.042 9.717 1.00 0.00 H ATOM 1275 HH21 ARG A 85 41.027 -9.205 8.030 1.00 0.00 H ATOM 1276 H ARG A 85 36.962 -6.648 2.712 1.00 0.00 H ATOM 1277 N GLU A 86 40.743 -5.860 3.132 1.00 20.56 N ATOM 1278 CA GLU A 86 41.742 -5.718 2.072 1.00 22.16 C ATOM 1279 C GLU A 86 42.284 -7.094 1.676 1.00 22.60 C ATOM 1280 O GLU A 86 42.568 -7.925 2.539 1.00 22.50 O ATOM 1281 CB GLU A 86 42.873 -4.773 2.498 1.00 22.34 C ATOM 1282 CG GLU A 86 43.788 -4.370 1.347 1.00 23.40 C ATOM 1283 CD GLU A 86 44.945 -3.462 1.740 1.00 22.72 C ATOM 1284 OE1 GLU A 86 45.556 -2.885 0.819 1.00 23.68 O ATOM 1285 OE2 GLU A 86 45.229 -3.304 2.946 1.00 24.81 O ATOM 1286 HA GLU A 86 41.263 -5.273 1.200 1.00 0.00 H ATOM 1287 HB2 GLU A 86 42.430 -3.871 2.920 1.00 0.00 H ATOM 1288 HB3 GLU A 86 43.473 -5.272 3.259 1.00 0.00 H ATOM 1289 HG2 GLU A 86 44.203 -5.278 0.909 1.00 0.00 H ATOM 1290 HG3 GLU A 86 43.187 -3.850 0.601 1.00 0.00 H ATOM 1291 H GLU A 86 40.906 -5.403 4.052 1.00 0.00 H ATOM 1292 N THR A 87 42.386 -7.329 0.367 1.00 23.22 N ATOM 1293 CA THR A 87 42.908 -8.595 -0.165 1.00 24.40 C ATOM 1294 C THR A 87 44.424 -8.689 0.029 1.00 24.88 C ATOM 1295 O THR A 87 45.102 -7.684 0.276 1.00 24.98 O ATOM 1296 CB THR A 87 42.615 -8.754 -1.672 1.00 24.42 C ATOM 1297 OG1 THR A 87 43.283 -7.717 -2.403 1.00 25.03 O ATOM 1298 CG2 THR A 87 41.106 -8.711 -1.955 1.00 23.85 C ATOM 1299 HA THR A 87 42.403 -9.387 0.388 1.00 0.00 H ATOM 1300 HB THR A 87 42.987 -9.727 -1.994 1.00 0.00 H ATOM 1301 HG1 THR A 87 43.093 -7.821 -3.369 1.00 0.00 H ATOM 1302 HG23 THR A 87 40.610 -9.503 -1.394 1.00 0.00 H ATOM 1303 HG21 THR A 87 40.708 -7.743 -1.649 1.00 0.00 H ATOM 1304 HG22 THR A 87 40.933 -8.856 -3.021 1.00 0.00 H ATOM 1305 H THR A 87 42.085 -6.590 -0.300 1.00 0.00 H ATOM 1306 N GLY A 88 44.947 -9.906 -0.100 1.00 25.54 N ATOM 1307 CA GLY A 88 46.387 -10.145 -0.044 1.00 26.31 C ATOM 1308 C GLY A 88 47.179 -9.415 -1.115 1.00 26.76 C ATOM 1309 O GLY A 88 48.297 -8.965 -0.864 1.00 27.59 O ATOM 1310 HA3 GLY A 88 46.561 -11.215 -0.158 1.00 0.00 H ATOM 1311 HA2 GLY A 88 46.750 -9.821 0.931 1.00 0.00 H ATOM 1312 H GLY A 88 44.309 -10.714 -0.246 1.00 0.00 H ATOM 1313 N SER A 89 46.601 -9.292 -2.307 1.00 26.89 N ATOM 1314 CA SER A 89 47.300 -8.698 -3.450 1.00 27.48 C ATOM 1315 C SER A 89 47.091 -7.184 -3.601 1.00 27.20 C ATOM 1316 O SER A 89 47.721 -6.548 -4.450 1.00 27.42 O ATOM 1317 CB SER A 89 46.923 -9.430 -4.742 1.00 27.67 C ATOM 1318 OG SER A 89 45.523 -9.421 -4.956 1.00 29.24 O ATOM 1319 HA SER A 89 48.364 -8.825 -3.250 1.00 0.00 H ATOM 1320 HB2 SER A 89 47.265 -10.463 -4.676 1.00 0.00 H ATOM 1321 HB3 SER A 89 47.413 -8.939 -5.583 1.00 0.00 H ATOM 1322 HG SER A 89 45.206 -8.485 -5.022 1.00 0.00 H ATOM 1323 H SER A 89 45.624 -9.627 -2.431 1.00 0.00 H ATOM 1324 N SER A 90 46.221 -6.608 -2.769 1.00 26.89 N ATOM 1325 CA SER A 90 45.941 -5.174 -2.804 1.00 26.34 C ATOM 1326 C SER A 90 47.191 -4.343 -2.533 1.00 26.28 C ATOM 1327 O SER A 90 47.870 -4.549 -1.535 1.00 26.40 O ATOM 1328 CB SER A 90 44.847 -4.825 -1.784 1.00 25.89 C ATOM 1329 OG SER A 90 44.687 -3.417 -1.622 1.00 24.34 O ATOM 1330 HA SER A 90 45.594 -4.931 -3.808 1.00 0.00 H ATOM 1331 HB2 SER A 90 45.113 -5.261 -0.821 1.00 0.00 H ATOM 1332 HB3 SER A 90 43.902 -5.249 -2.124 1.00 0.00 H ATOM 1333 HG SER A 90 45.539 -3.024 -1.306 1.00 0.00 H ATOM 1334 H SER A 90 45.725 -7.200 -2.072 1.00 0.00 H ATOM 1335 N LYS A 91 47.490 -3.405 -3.426 1.00 26.62 N ATOM 1336 CA LYS A 91 48.597 -2.477 -3.192 1.00 26.99 C ATOM 1337 C LYS A 91 48.166 -1.044 -3.474 1.00 26.90 C ATOM 1338 O LYS A 91 47.763 -0.702 -4.590 1.00 27.14 O ATOM 1339 CB LYS A 91 49.861 -2.856 -3.992 1.00 27.51 C ATOM 1340 CG LYS A 91 50.526 -4.203 -3.615 1.00 28.05 C ATOM 1341 CD LYS A 91 51.146 -4.242 -2.204 1.00 28.66 C ATOM 1342 CE LYS A 91 51.958 -5.533 -2.022 1.00 28.67 C ATOM 1343 NZ LYS A 91 52.210 -5.940 -0.609 1.00 29.03 N ATOM 1344 HA LYS A 91 48.866 -2.552 -2.138 1.00 0.00 H ATOM 1345 HB2 LYS A 91 49.587 -2.903 -5.046 1.00 0.00 H ATOM 1346 HB3 LYS A 91 50.598 -2.067 -3.844 1.00 0.00 H ATOM 1347 HG2 LYS A 91 49.769 -4.985 -3.675 1.00 0.00 H ATOM 1348 HG3 LYS A 91 51.315 -4.407 -4.339 1.00 0.00 H ATOM 1349 HD2 LYS A 91 51.802 -3.381 -2.074 1.00 0.00 H ATOM 1350 HD3 LYS A 91 50.351 -4.207 -1.459 1.00 0.00 H ATOM 1351 HE2 LYS A 91 52.923 -5.394 -2.509 1.00 0.00 H ATOM 1352 HE3 LYS A 91 51.417 -6.342 -2.513 1.00 0.00 H ATOM 1353 HZ1 LYS A 91 52.740 -5.189 -0.122 1.00 0.00 H ATOM 1354 HZ2 LYS A 91 51.302 -6.094 -0.127 1.00 0.00 H ATOM 1355 HZ3 LYS A 91 52.764 -6.820 -0.597 1.00 0.00 H ATOM 1356 H LYS A 91 46.931 -3.330 -4.300 1.00 0.00 H ATOM 1357 N TYR A 92 48.234 -0.224 -2.430 1.00 27.00 N ATOM 1358 CA TYR A 92 47.959 1.200 -2.513 1.00 27.65 C ATOM 1359 C TYR A 92 48.718 1.790 -3.700 1.00 27.53 C ATOM 1360 O TYR A 92 49.882 1.444 -3.911 1.00 27.43 O ATOM 1361 CB TYR A 92 48.402 1.871 -1.211 1.00 27.92 C ATOM 1362 CG TYR A 92 48.232 3.370 -1.192 1.00 28.45 C ATOM 1363 CD1 TYR A 92 47.025 3.947 -0.802 1.00 28.99 C ATOM 1364 CD2 TYR A 92 49.274 4.215 -1.577 1.00 29.11 C ATOM 1365 CE1 TYR A 92 46.860 5.326 -0.789 1.00 29.56 C ATOM 1366 CE2 TYR A 92 49.120 5.597 -1.566 1.00 29.41 C ATOM 1367 CZ TYR A 92 47.910 6.145 -1.166 1.00 29.47 C ATOM 1368 OH TYR A 92 47.744 7.512 -1.149 1.00 29.28 O ATOM 1369 HA TYR A 92 46.892 1.370 -2.656 1.00 0.00 H ATOM 1370 HB3 TYR A 92 49.457 1.645 -1.053 1.00 0.00 H ATOM 1371 HB2 TYR A 92 47.815 1.451 -0.394 1.00 0.00 H ATOM 1372 HD2 TYR A 92 50.225 3.784 -1.892 1.00 0.00 H ATOM 1373 HE2 TYR A 92 49.943 6.244 -1.869 1.00 0.00 H ATOM 1374 HE1 TYR A 92 45.908 5.761 -0.483 1.00 0.00 H ATOM 1375 HD1 TYR A 92 46.196 3.305 -0.502 1.00 0.00 H ATOM 1376 HH TYR A 92 46.828 7.728 -0.841 1.00 0.00 H ATOM 1377 H TYR A 92 48.498 -0.622 -1.506 1.00 0.00 H ATOM 1378 N PRO A 93 48.081 2.692 -4.471 1.00 27.73 N ATOM 1379 CA PRO A 93 46.736 3.262 -4.337 1.00 27.90 C ATOM 1380 C PRO A 93 45.617 2.399 -4.931 1.00 28.05 C ATOM 1381 O PRO A 93 44.453 2.816 -4.922 1.00 28.47 O ATOM 1382 CB PRO A 93 46.855 4.577 -5.108 1.00 28.16 C ATOM 1383 CG PRO A 93 47.837 4.279 -6.181 1.00 28.33 C ATOM 1384 CD PRO A 93 48.800 3.265 -5.627 1.00 27.64 C ATOM 1385 HA PRO A 93 46.454 3.360 -3.289 1.00 0.00 H ATOM 1386 HD3 PRO A 93 49.023 2.496 -6.366 1.00 0.00 H ATOM 1387 HD2 PRO A 93 49.727 3.742 -5.310 1.00 0.00 H ATOM 1388 HG3 PRO A 93 48.370 5.187 -6.463 1.00 0.00 H ATOM 1389 HG2 PRO A 93 47.326 3.873 -7.054 1.00 0.00 H ATOM 1390 HB2 PRO A 93 45.893 4.866 -5.532 1.00 0.00 H ATOM 1391 HB3 PRO A 93 47.219 5.374 -4.460 1.00 0.00 H ATOM 1392 N ASN A 94 45.964 1.217 -5.436 1.00 27.76 N ATOM 1393 CA ASN A 94 44.983 0.316 -6.039 1.00 27.50 C ATOM 1394 C ASN A 94 44.387 -0.586 -4.977 1.00 26.43 C ATOM 1395 O ASN A 94 44.599 -1.799 -4.976 1.00 26.60 O ATOM 1396 CB ASN A 94 45.610 -0.526 -7.153 1.00 27.91 C ATOM 1397 CG ASN A 94 45.983 0.294 -8.367 1.00 30.07 C ATOM 1398 OD1 ASN A 94 47.153 0.363 -8.745 1.00 32.58 O ATOM 1399 ND2 ASN A 94 44.992 0.922 -8.988 1.00 31.11 N ATOM 1400 HA ASN A 94 44.194 0.924 -6.482 1.00 0.00 H ATOM 1401 HB2 ASN A 94 46.510 -1.003 -6.765 1.00 0.00 H ATOM 1402 HB3 ASN A 94 44.896 -1.292 -7.455 1.00 0.00 H ATOM 1403 HD22 ASN A 94 44.018 0.835 -8.633 1.00 0.00 H ATOM 1404 HD21 ASN A 94 45.189 1.501 -9.829 1.00 0.00 H ATOM 1405 H ASN A 94 46.962 0.926 -5.401 1.00 0.00 H ATOM 1406 N CYS A 95 43.644 0.017 -4.054 1.00 25.64 N ATOM 1407 CA CYS A 95 43.124 -0.724 -2.928 1.00 24.31 C ATOM 1408 C CYS A 95 42.042 -1.694 -3.385 1.00 23.44 C ATOM 1409 O CYS A 95 41.110 -1.307 -4.099 1.00 23.78 O ATOM 1410 CB CYS A 95 42.602 0.237 -1.862 1.00 24.45 C ATOM 1411 SG CYS A 95 43.863 1.380 -1.230 1.00 24.54 S ATOM 1412 HA CYS A 95 43.928 -1.311 -2.485 1.00 0.00 H ATOM 1413 HB2 CYS A 95 42.219 -0.350 -1.027 1.00 0.00 H ATOM 1414 HB3 CYS A 95 41.791 0.823 -2.294 1.00 0.00 H ATOM 1415 H CYS A 95 43.435 1.032 -4.143 1.00 0.00 H ATOM 1416 N ALA A 96 42.204 -2.954 -2.986 1.00 21.51 N ATOM 1417 CA ALA A 96 41.291 -4.025 -3.356 1.00 20.47 C ATOM 1418 C ALA A 96 40.781 -4.747 -2.120 1.00 19.56 C ATOM 1419 O ALA A 96 41.533 -4.975 -1.170 1.00 19.58 O ATOM 1420 CB ALA A 96 41.975 -5.004 -4.329 1.00 20.81 C ATOM 1421 HA ALA A 96 40.432 -3.588 -3.865 1.00 0.00 H ATOM 1422 HB1 ALA A 96 42.277 -4.468 -5.229 1.00 0.00 H ATOM 1423 HB2 ALA A 96 42.853 -5.436 -3.850 1.00 0.00 H ATOM 1424 HB3 ALA A 96 41.277 -5.798 -4.594 1.00 0.00 H ATOM 1425 H ALA A 96 43.020 -3.183 -2.383 1.00 0.00 H ATOM 1426 N TYR A 97 39.498 -5.099 -2.157 1.00 18.09 N ATOM 1427 CA TYR A 97 38.777 -5.596 -0.996 1.00 17.59 C ATOM 1428 C TYR A 97 37.901 -6.787 -1.326 1.00 17.84 C ATOM 1429 O TYR A 97 37.296 -6.858 -2.411 1.00 17.80 O ATOM 1430 CB TYR A 97 37.873 -4.485 -0.419 1.00 16.93 C ATOM 1431 CG TYR A 97 38.648 -3.346 0.189 1.00 15.32 C ATOM 1432 CD1 TYR A 97 38.995 -2.234 -0.574 1.00 15.28 C ATOM 1433 CD2 TYR A 97 39.063 -3.393 1.521 1.00 15.12 C ATOM 1434 CE1 TYR A 97 39.744 -1.196 -0.037 1.00 15.60 C ATOM 1435 CE2 TYR A 97 39.827 -2.366 2.064 1.00 15.74 C ATOM 1436 CZ TYR A 97 40.145 -1.269 1.289 1.00 16.58 C ATOM 1437 OH TYR A 97 40.874 -0.230 1.832 1.00 16.40 O ATOM 1438 HA TYR A 97 39.530 -5.906 -0.272 1.00 0.00 H ATOM 1439 HB3 TYR A 97 37.236 -4.921 0.351 1.00 0.00 H ATOM 1440 HB2 TYR A 97 37.251 -4.091 -1.223 1.00 0.00 H ATOM 1441 HD2 TYR A 97 38.785 -4.244 2.142 1.00 0.00 H ATOM 1442 HE2 TYR A 97 40.173 -2.427 3.096 1.00 0.00 H ATOM 1443 HE1 TYR A 97 40.013 -0.335 -0.649 1.00 0.00 H ATOM 1444 HD1 TYR A 97 38.672 -2.178 -1.614 1.00 0.00 H ATOM 1445 HH TYR A 97 40.379 0.153 2.599 1.00 0.00 H ATOM 1446 H TYR A 97 38.987 -5.015 -3.059 1.00 0.00 H ATOM 1447 N LYS A 98 37.809 -7.699 -0.369 1.00 18.27 N ATOM 1448 CA LYS A 98 36.767 -8.725 -0.384 1.00 19.69 C ATOM 1449 C LYS A 98 35.504 -8.181 0.294 1.00 18.84 C ATOM 1450 O LYS A 98 35.579 -7.576 1.378 1.00 18.55 O ATOM 1451 CB LYS A 98 37.250 -9.984 0.327 1.00 20.07 C ATOM 1452 CG LYS A 98 36.179 -11.065 0.539 1.00 22.30 C ATOM 1453 CD LYS A 98 36.777 -12.302 1.208 1.00 22.96 C ATOM 1454 CE LYS A 98 37.577 -11.965 2.475 1.00 27.48 C ATOM 1455 NZ LYS A 98 36.737 -11.585 3.651 1.00 28.69 N ATOM 1456 HA LYS A 98 36.536 -8.984 -1.417 1.00 0.00 H ATOM 1457 HB2 LYS A 98 38.056 -10.418 -0.265 1.00 0.00 H ATOM 1458 HB3 LYS A 98 37.635 -9.693 1.305 1.00 0.00 H ATOM 1459 HG2 LYS A 98 35.387 -10.664 1.172 1.00 0.00 H ATOM 1460 HG3 LYS A 98 35.761 -11.348 -0.427 1.00 0.00 H ATOM 1461 HD2 LYS A 98 35.966 -12.979 1.477 1.00 0.00 H ATOM 1462 HD3 LYS A 98 37.440 -12.796 0.498 1.00 0.00 H ATOM 1463 HE2 LYS A 98 38.242 -11.132 2.247 1.00 0.00 H ATOM 1464 HE3 LYS A 98 38.170 -12.838 2.747 1.00 0.00 H ATOM 1465 HZ1 LYS A 98 36.172 -10.744 3.415 1.00 0.00 H ATOM 1466 HZ2 LYS A 98 36.103 -12.373 3.892 1.00 0.00 H ATOM 1467 HZ3 LYS A 98 37.353 -11.374 4.462 1.00 0.00 H ATOM 1468 H LYS A 98 38.495 -7.685 0.412 1.00 0.00 H ATOM 1469 N THR A 99 34.356 -8.402 -0.341 1.00 18.52 N ATOM 1470 CA THR A 99 33.052 -7.925 0.124 1.00 18.56 C ATOM 1471 C THR A 99 32.260 -9.089 0.726 1.00 19.25 C ATOM 1472 O THR A 99 32.002 -10.083 0.042 1.00 19.42 O ATOM 1473 CB THR A 99 32.235 -7.293 -1.056 1.00 18.69 C ATOM 1474 OG1 THR A 99 32.906 -6.129 -1.559 1.00 17.92 O ATOM 1475 CG2 THR A 99 30.812 -6.907 -0.628 1.00 18.13 C ATOM 1476 HA THR A 99 33.217 -7.160 0.882 1.00 0.00 H ATOM 1477 HB THR A 99 32.164 -8.050 -1.837 1.00 0.00 H ATOM 1478 HG1 THR A 99 32.995 -5.462 -0.833 1.00 0.00 H ATOM 1479 HG23 THR A 99 30.298 -7.788 -0.245 1.00 0.00 H ATOM 1480 HG21 THR A 99 30.862 -6.146 0.151 1.00 0.00 H ATOM 1481 HG22 THR A 99 30.270 -6.513 -1.488 1.00 0.00 H ATOM 1482 H THR A 99 34.387 -8.949 -1.225 1.00 0.00 H ATOM 1483 N THR A 100 31.876 -8.976 1.998 1.00 18.98 N ATOM 1484 CA THR A 100 31.083 -10.018 2.649 1.00 20.32 C ATOM 1485 C THR A 100 29.856 -9.462 3.353 1.00 20.47 C ATOM 1486 O THR A 100 29.953 -8.718 4.331 1.00 19.66 O ATOM 1487 CB THR A 100 31.895 -10.846 3.657 1.00 20.84 C ATOM 1488 OG1 THR A 100 33.082 -11.344 3.038 1.00 21.38 O ATOM 1489 CG2 THR A 100 31.051 -12.028 4.199 1.00 21.86 C ATOM 1490 HA THR A 100 30.765 -10.669 1.835 1.00 0.00 H ATOM 1491 HB THR A 100 32.168 -10.200 4.492 1.00 0.00 H ATOM 1492 HG1 THR A 100 33.632 -10.584 2.723 1.00 0.00 H ATOM 1493 HG23 THR A 100 30.147 -11.642 4.670 1.00 0.00 H ATOM 1494 HG21 THR A 100 30.779 -12.687 3.374 1.00 0.00 H ATOM 1495 HG22 THR A 100 31.635 -12.584 4.933 1.00 0.00 H ATOM 1496 H THR A 100 32.146 -8.129 2.538 1.00 0.00 H ATOM 1497 N GLN A 101 28.699 -9.894 2.878 1.00 20.74 N ATOM 1498 CA GLN A 101 27.418 -9.478 3.378 1.00 21.21 C ATOM 1499 C GLN A 101 27.052 -10.408 4.524 1.00 20.77 C ATOM 1500 O GLN A 101 27.331 -11.613 4.458 1.00 21.34 O ATOM 1501 CB GLN A 101 26.410 -9.617 2.234 1.00 21.35 C ATOM 1502 CG GLN A 101 24.974 -9.421 2.599 1.00 23.82 C ATOM 1503 CD GLN A 101 24.738 -8.101 3.292 1.00 24.42 C ATOM 1504 OE1 GLN A 101 25.220 -7.058 2.845 1.00 26.38 O ATOM 1505 NE2 GLN A 101 23.984 -8.132 4.379 1.00 24.36 N ATOM 1506 HA GLN A 101 27.426 -8.447 3.733 1.00 0.00 H ATOM 1507 HB2 GLN A 101 26.665 -8.879 1.473 1.00 0.00 H ATOM 1508 HB3 GLN A 101 26.515 -10.618 1.817 1.00 0.00 H ATOM 1509 HG2 GLN A 101 24.373 -9.453 1.690 1.00 0.00 H ATOM 1510 HG3 GLN A 101 24.667 -10.227 3.265 1.00 0.00 H ATOM 1511 HE22 GLN A 101 23.599 -9.036 4.719 1.00 0.00 H ATOM 1512 HE21 GLN A 101 23.777 -7.252 4.893 1.00 0.00 H ATOM 1513 H GLN A 101 28.718 -10.577 2.094 1.00 0.00 H ATOM 1514 N ALA A 102 26.458 -9.842 5.579 1.00 19.79 N ATOM 1515 CA ALA A 102 26.008 -10.620 6.726 1.00 19.43 C ATOM 1516 C ALA A 102 24.854 -9.920 7.436 1.00 18.48 C ATOM 1517 O ALA A 102 24.583 -8.738 7.210 1.00 18.23 O ATOM 1518 CB ALA A 102 27.164 -10.823 7.704 1.00 20.50 C ATOM 1519 HA ALA A 102 25.660 -11.589 6.367 1.00 0.00 H ATOM 1520 HB1 ALA A 102 27.973 -11.355 7.203 1.00 0.00 H ATOM 1521 HB2 ALA A 102 27.523 -9.853 8.046 1.00 0.00 H ATOM 1522 HB3 ALA A 102 26.818 -11.405 8.558 1.00 0.00 H ATOM 1523 H ALA A 102 26.312 -8.812 5.581 1.00 0.00 H ATOM 1524 N ASN A 103 24.162 -10.677 8.292 1.00 18.12 N ATOM 1525 CA ASN A 103 23.193 -10.096 9.221 1.00 18.44 C ATOM 1526 C ASN A 103 23.652 -10.472 10.613 1.00 18.01 C ATOM 1527 O ASN A 103 23.637 -11.637 10.994 1.00 18.40 O ATOM 1528 CB ASN A 103 21.756 -10.544 8.931 1.00 19.11 C ATOM 1529 CG ASN A 103 21.275 -10.060 7.579 1.00 19.73 C ATOM 1530 OD1 ASN A 103 20.656 -8.995 7.459 1.00 22.48 O ATOM 1531 ND2 ASN A 103 21.581 -10.829 6.542 1.00 23.47 N ATOM 1532 HA ASN A 103 23.160 -9.012 9.111 1.00 0.00 H ATOM 1533 HB2 ASN A 103 21.715 -11.633 8.951 1.00 0.00 H ATOM 1534 HB3 ASN A 103 21.099 -10.143 9.703 1.00 0.00 H ATOM 1535 HD22 ASN A 103 22.103 -11.717 6.689 1.00 0.00 H ATOM 1536 HD21 ASN A 103 21.299 -10.544 5.582 1.00 0.00 H ATOM 1537 H ASN A 103 24.316 -11.705 8.298 1.00 0.00 H ATOM 1538 N LYS A 104 24.132 -9.469 11.341 1.00 16.18 N ATOM 1539 CA LYS A 104 24.787 -9.680 12.633 1.00 15.43 C ATOM 1540 C LYS A 104 24.422 -8.555 13.567 1.00 14.23 C ATOM 1541 O LYS A 104 23.938 -7.518 13.156 1.00 14.26 O ATOM 1542 CB LYS A 104 26.312 -9.733 12.469 1.00 15.41 C ATOM 1543 CG LYS A 104 26.807 -10.935 11.665 1.00 17.47 C ATOM 1544 CD LYS A 104 28.313 -10.956 11.593 1.00 19.44 C ATOM 1545 CE LYS A 104 28.832 -12.189 10.881 1.00 22.20 C ATOM 1546 NZ LYS A 104 30.271 -12.375 11.185 1.00 24.39 N ATOM 1547 HA LYS A 104 24.449 -10.631 13.044 1.00 0.00 H ATOM 1548 HB2 LYS A 104 26.635 -8.824 11.962 1.00 0.00 H ATOM 1549 HB3 LYS A 104 26.763 -9.774 13.461 1.00 0.00 H ATOM 1550 HG2 LYS A 104 26.460 -11.851 12.143 1.00 0.00 H ATOM 1551 HG3 LYS A 104 26.403 -10.879 10.654 1.00 0.00 H ATOM 1552 HD2 LYS A 104 28.652 -10.070 11.055 1.00 0.00 H ATOM 1553 HD3 LYS A 104 28.714 -10.940 12.606 1.00 0.00 H ATOM 1554 HE2 LYS A 104 28.702 -12.068 9.806 1.00 0.00 H ATOM 1555 HE3 LYS A 104 28.275 -13.063 11.217 1.00 0.00 H ATOM 1556 HZ1 LYS A 104 30.803 -11.541 10.863 1.00 0.00 H ATOM 1557 HZ2 LYS A 104 30.395 -12.491 12.211 1.00 0.00 H ATOM 1558 HZ3 LYS A 104 30.621 -13.222 10.694 1.00 0.00 H ATOM 1559 H LYS A 104 24.039 -8.498 10.979 1.00 0.00 H ATOM 1560 N HIS A 105 24.639 -8.785 14.857 1.00 13.66 N ATOM 1561 CA HIS A 105 24.477 -7.724 15.847 1.00 12.45 C ATOM 1562 C HIS A 105 25.693 -6.828 15.742 1.00 12.24 C ATOM 1563 O HIS A 105 26.810 -7.329 15.630 1.00 14.14 O ATOM 1564 CB HIS A 105 24.355 -8.311 17.257 1.00 12.88 C ATOM 1565 CG HIS A 105 23.259 -9.322 17.384 1.00 14.56 C ATOM 1566 ND1 HIS A 105 21.959 -8.980 17.694 1.00 17.18 N ATOM 1567 CD2 HIS A 105 23.262 -10.660 17.184 1.00 17.01 C ATOM 1568 CE1 HIS A 105 21.211 -10.073 17.703 1.00 17.46 C ATOM 1569 NE2 HIS A 105 21.979 -11.104 17.407 1.00 19.06 N ATOM 1570 HA HIS A 105 23.565 -7.158 15.658 1.00 0.00 H ATOM 1571 HB2 HIS A 105 25.299 -8.790 17.516 1.00 0.00 H ATOM 1572 HB3 HIS A 105 24.158 -7.497 17.955 1.00 0.00 H ATOM 1573 HD2 HIS A 105 24.119 -11.271 16.900 1.00 0.00 H ATOM 1574 HE1 HIS A 105 20.143 -10.114 17.918 1.00 0.00 H ATOM 1575 H HIS A 105 24.929 -9.735 15.167 1.00 0.00 H ATOM 1576 N ILE A 106 25.467 -5.525 15.714 1.00 10.76 N ATOM 1577 CA ILE A 106 26.603 -4.610 15.659 1.00 9.84 C ATOM 1578 C ILE A 106 26.939 -4.098 17.055 1.00 8.93 C ATOM 1579 O ILE A 106 26.072 -4.029 17.932 1.00 8.62 O ATOM 1580 CB ILE A 106 26.368 -3.414 14.687 1.00 10.14 C ATOM 1581 CG1 ILE A 106 25.257 -2.474 15.178 1.00 11.01 C ATOM 1582 CG2 ILE A 106 26.118 -3.901 13.235 1.00 11.14 C ATOM 1583 CD1 ILE A 106 25.182 -1.167 14.418 1.00 11.17 C ATOM 1584 HA ILE A 106 27.447 -5.177 15.266 1.00 0.00 H ATOM 1585 HB ILE A 106 27.286 -2.827 14.678 1.00 0.00 H ATOM 1586 HG12 ILE A 106 24.301 -2.988 15.074 1.00 0.00 H ATOM 1587 HG13 ILE A 106 25.436 -2.250 16.230 1.00 0.00 H ATOM 1588 HD11 ILE A 106 26.127 -0.634 14.521 1.00 0.00 H ATOM 1589 HD12 ILE A 106 24.992 -1.371 13.364 1.00 0.00 H ATOM 1590 HD13 ILE A 106 24.374 -0.558 14.823 1.00 0.00 H ATOM 1591 HG21 ILE A 106 26.985 -4.463 12.887 1.00 0.00 H ATOM 1592 HG22 ILE A 106 25.236 -4.541 13.215 1.00 0.00 H ATOM 1593 HG23 ILE A 106 25.958 -3.039 12.587 1.00 0.00 H ATOM 1594 H ILE A 106 24.494 -5.158 15.731 1.00 0.00 H ATOM 1595 N ILE A 107 28.216 -3.768 17.246 1.00 7.89 N ATOM 1596 CA ILE A 107 28.669 -3.140 18.481 1.00 7.61 C ATOM 1597 C ILE A 107 29.352 -1.824 18.115 1.00 7.27 C ATOM 1598 O ILE A 107 30.309 -1.813 17.338 1.00 7.56 O ATOM 1599 CB ILE A 107 29.660 -4.043 19.267 1.00 7.53 C ATOM 1600 CG1 ILE A 107 28.994 -5.382 19.636 1.00 7.81 C ATOM 1601 CG2 ILE A 107 30.152 -3.323 20.537 1.00 8.61 C ATOM 1602 CD1 ILE A 107 29.932 -6.373 20.277 1.00 9.03 C ATOM 1603 HA ILE A 107 27.808 -2.973 19.128 1.00 0.00 H ATOM 1604 HB ILE A 107 30.519 -4.248 18.628 1.00 0.00 H ATOM 1605 HG12 ILE A 107 28.179 -5.181 20.331 1.00 0.00 H ATOM 1606 HG13 ILE A 107 28.592 -5.828 18.726 1.00 0.00 H ATOM 1607 HD11 ILE A 107 30.748 -6.596 19.590 1.00 0.00 H ATOM 1608 HD12 ILE A 107 30.335 -5.948 21.196 1.00 0.00 H ATOM 1609 HD13 ILE A 107 29.389 -7.289 20.507 1.00 0.00 H ATOM 1610 HG21 ILE A 107 30.659 -2.400 20.256 1.00 0.00 H ATOM 1611 HG22 ILE A 107 29.299 -3.092 21.175 1.00 0.00 H ATOM 1612 HG23 ILE A 107 30.845 -3.970 21.075 1.00 0.00 H ATOM 1613 H ILE A 107 28.907 -3.964 16.494 1.00 0.00 H ATOM 1614 N VAL A 108 28.803 -0.726 18.628 1.00 7.40 N ATOM 1615 CA VAL A 108 29.349 0.599 18.346 1.00 7.57 C ATOM 1616 C VAL A 108 29.695 1.304 19.646 1.00 7.40 C ATOM 1617 O VAL A 108 29.121 0.987 20.684 1.00 8.25 O ATOM 1618 CB VAL A 108 28.347 1.469 17.536 1.00 7.90 C ATOM 1619 CG1 VAL A 108 28.120 0.869 16.129 1.00 8.86 C ATOM 1620 CG2 VAL A 108 27.013 1.682 18.293 1.00 8.58 C ATOM 1621 HA VAL A 108 30.249 0.466 17.745 1.00 0.00 H ATOM 1622 HB VAL A 108 28.791 2.457 17.414 1.00 0.00 H ATOM 1623 HG11 VAL A 108 29.069 0.831 15.594 1.00 0.00 H ATOM 1624 HG12 VAL A 108 27.716 -0.139 16.226 1.00 0.00 H ATOM 1625 HG13 VAL A 108 27.416 1.493 15.579 1.00 0.00 H ATOM 1626 HG21 VAL A 108 26.546 0.715 18.483 1.00 0.00 H ATOM 1627 HG22 VAL A 108 27.210 2.184 19.240 1.00 0.00 H ATOM 1628 HG23 VAL A 108 26.347 2.295 17.687 1.00 0.00 H ATOM 1629 H VAL A 108 27.968 -0.813 19.242 1.00 0.00 H ATOM 1630 N ALA A 109 30.670 2.206 19.603 1.00 7.29 N ATOM 1631 CA ALA A 109 30.907 3.094 20.749 1.00 7.50 C ATOM 1632 C ALA A 109 30.168 4.403 20.549 1.00 7.22 C ATOM 1633 O ALA A 109 30.155 4.948 19.430 1.00 7.70 O ATOM 1634 CB ALA A 109 32.371 3.355 20.960 1.00 8.74 C ATOM 1635 HA ALA A 109 30.530 2.594 21.641 1.00 0.00 H ATOM 1636 HB1 ALA A 109 32.884 2.411 21.146 1.00 0.00 H ATOM 1637 HB2 ALA A 109 32.787 3.827 20.070 1.00 0.00 H ATOM 1638 HB3 ALA A 109 32.501 4.016 21.817 1.00 0.00 H ATOM 1639 H ALA A 109 31.267 2.283 18.755 1.00 0.00 H ATOM 1640 N CYS A 110 29.568 4.907 21.626 1.00 8.15 N ATOM 1641 CA CYS A 110 28.822 6.161 21.572 1.00 8.10 C ATOM 1642 C CYS A 110 29.411 7.216 22.497 1.00 8.12 C ATOM 1643 O CYS A 110 29.932 6.893 23.586 1.00 8.44 O ATOM 1644 CB CYS A 110 27.374 5.910 21.960 1.00 9.36 C ATOM 1645 SG CYS A 110 26.607 4.673 20.887 1.00 10.32 S ATOM 1646 HA CYS A 110 28.884 6.536 20.551 1.00 0.00 H ATOM 1647 HB2 CYS A 110 26.818 6.844 21.879 1.00 0.00 H ATOM 1648 HB3 CYS A 110 27.339 5.556 22.990 1.00 0.00 H ATOM 1649 H CYS A 110 29.632 4.394 22.529 1.00 0.00 H ATOM 1650 N GLU A 111 29.347 8.475 22.059 1.00 8.89 N ATOM 1651 CA GLU A 111 29.887 9.595 22.821 1.00 9.30 C ATOM 1652 C GLU A 111 29.084 10.839 22.517 1.00 9.44 C ATOM 1653 O GLU A 111 28.406 10.904 21.496 1.00 9.89 O ATOM 1654 CB GLU A 111 31.342 9.901 22.435 1.00 9.46 C ATOM 1655 CG GLU A 111 32.340 8.827 22.858 1.00 10.23 C ATOM 1656 CD GLU A 111 33.768 9.251 22.677 1.00 13.52 C ATOM 1657 OE1 GLU A 111 34.105 9.723 21.579 1.00 15.59 O ATOM 1658 OE2 GLU A 111 34.571 9.039 23.607 1.00 17.88 O ATOM 1659 HA GLU A 111 29.838 9.320 23.875 1.00 0.00 H ATOM 1660 HB2 GLU A 111 31.393 10.008 21.351 1.00 0.00 H ATOM 1661 HB3 GLU A 111 31.631 10.841 22.906 1.00 0.00 H ATOM 1662 HG2 GLU A 111 32.177 8.596 23.911 1.00 0.00 H ATOM 1663 HG3 GLU A 111 32.164 7.933 22.259 1.00 0.00 H ATOM 1664 H GLU A 111 28.896 8.664 21.141 1.00 0.00 H ATOM 1665 N GLY A 112 29.189 11.816 23.412 1.00 9.78 N ATOM 1666 CA GLY A 112 28.711 13.166 23.161 1.00 11.36 C ATOM 1667 C GLY A 112 27.357 13.491 23.730 1.00 13.48 C ATOM 1668 O GLY A 112 26.656 12.632 24.281 1.00 12.81 O ATOM 1669 HA3 GLY A 112 28.665 13.311 22.082 1.00 0.00 H ATOM 1670 HA2 GLY A 112 29.432 13.863 23.590 1.00 0.00 H ATOM 1671 H GLY A 112 29.631 11.606 24.330 1.00 0.00 H ATOM 1672 N ASN A 113 26.996 14.765 23.587 1.00 15.71 N ATOM 1673 CA ASN A 113 25.630 15.222 23.785 1.00 17.71 C ATOM 1674 C ASN A 113 25.216 16.000 22.538 1.00 17.51 C ATOM 1675 O ASN A 113 25.698 17.130 22.318 1.00 18.92 O ATOM 1676 CB ASN A 113 25.504 16.069 25.044 1.00 18.96 C ATOM 1677 CG ASN A 113 24.041 16.377 25.400 1.00 20.13 C ATOM 1678 OD1 ASN A 113 23.112 15.895 24.749 1.00 22.42 O ATOM 1679 ND2 ASN A 113 23.847 17.160 26.452 1.00 25.73 N ATOM 1680 HA ASN A 113 24.966 14.370 23.928 1.00 0.00 H ATOM 1681 HB2 ASN A 113 25.961 15.531 25.875 1.00 0.00 H ATOM 1682 HB3 ASN A 113 26.032 17.010 24.887 1.00 0.00 H ATOM 1683 HD22 ASN A 113 24.662 17.544 26.971 1.00 0.00 H ATOM 1684 HD21 ASN A 113 22.880 17.390 26.758 1.00 0.00 H ATOM 1685 H ASN A 113 27.721 15.462 23.323 1.00 0.00 H ATOM 1686 N PRO A 114 24.354 15.390 21.702 1.00 17.14 N ATOM 1687 CA PRO A 114 23.639 14.114 21.884 1.00 16.28 C ATOM 1688 C PRO A 114 24.563 12.872 21.850 1.00 15.05 C ATOM 1689 O PRO A 114 25.646 12.904 21.260 1.00 14.90 O ATOM 1690 CB PRO A 114 22.673 14.085 20.701 1.00 17.50 C ATOM 1691 CG PRO A 114 23.360 14.921 19.657 1.00 17.72 C ATOM 1692 CD PRO A 114 24.039 16.011 20.399 1.00 17.95 C ATOM 1693 HA PRO A 114 23.161 14.067 22.862 1.00 0.00 H ATOM 1694 HD3 PRO A 114 24.948 16.326 19.886 1.00 0.00 H ATOM 1695 HD2 PRO A 114 23.378 16.869 20.524 1.00 0.00 H ATOM 1696 HG3 PRO A 114 22.631 15.333 18.959 1.00 0.00 H ATOM 1697 HG2 PRO A 114 24.088 14.323 19.109 1.00 0.00 H ATOM 1698 HB2 PRO A 114 22.524 13.065 20.346 1.00 0.00 H ATOM 1699 HB3 PRO A 114 21.711 14.518 20.974 1.00 0.00 H ATOM 1700 N TYR A 115 24.112 11.794 22.491 1.00 13.97 N ATOM 1701 CA TYR A 115 24.869 10.538 22.585 1.00 12.43 C ATOM 1702 C TYR A 115 24.677 9.688 21.340 1.00 12.18 C ATOM 1703 O TYR A 115 23.619 9.063 21.160 1.00 13.29 O ATOM 1704 CB TYR A 115 24.358 9.754 23.776 1.00 12.36 C ATOM 1705 CG TYR A 115 25.326 8.741 24.365 1.00 11.39 C ATOM 1706 CD1 TYR A 115 26.598 9.127 24.778 1.00 10.89 C ATOM 1707 CD2 TYR A 115 24.941 7.412 24.561 1.00 10.63 C ATOM 1708 CE1 TYR A 115 27.477 8.205 25.365 1.00 10.33 C ATOM 1709 CE2 TYR A 115 25.795 6.497 25.157 1.00 10.52 C ATOM 1710 CZ TYR A 115 27.058 6.909 25.561 1.00 9.54 C ATOM 1711 OH TYR A 115 27.928 6.038 26.167 1.00 11.50 O ATOM 1712 HA TYR A 115 25.927 10.778 22.690 1.00 0.00 H ATOM 1713 HB3 TYR A 115 23.461 9.218 23.464 1.00 0.00 H ATOM 1714 HB2 TYR A 115 24.100 10.466 24.560 1.00 0.00 H ATOM 1715 HD2 TYR A 115 23.951 7.089 24.239 1.00 0.00 H ATOM 1716 HE2 TYR A 115 25.478 5.465 25.307 1.00 0.00 H ATOM 1717 HE1 TYR A 115 28.480 8.511 25.662 1.00 0.00 H ATOM 1718 HD1 TYR A 115 26.916 10.161 24.643 1.00 0.00 H ATOM 1719 HH TYR A 115 27.521 5.694 27.001 1.00 0.00 H ATOM 1720 H TYR A 115 23.179 11.844 22.947 1.00 0.00 H ATOM 1721 N VAL A 116 25.698 9.652 20.480 1.00 11.45 N ATOM 1722 CA VAL A 116 25.557 9.065 19.147 1.00 11.46 C ATOM 1723 C VAL A 116 26.758 8.170 18.809 1.00 10.98 C ATOM 1724 O VAL A 116 27.813 8.264 19.451 1.00 9.94 O ATOM 1725 CB VAL A 116 25.401 10.177 18.065 1.00 12.57 C ATOM 1726 CG1 VAL A 116 24.072 10.932 18.238 1.00 13.52 C ATOM 1727 CG2 VAL A 116 26.573 11.112 18.102 1.00 13.34 C ATOM 1728 HA VAL A 116 24.657 8.451 19.151 1.00 0.00 H ATOM 1729 HB VAL A 116 25.380 9.703 17.084 1.00 0.00 H ATOM 1730 HG11 VAL A 116 23.242 10.231 18.142 1.00 0.00 H ATOM 1731 HG12 VAL A 116 24.045 11.396 19.224 1.00 0.00 H ATOM 1732 HG13 VAL A 116 23.990 11.701 17.470 1.00 0.00 H ATOM 1733 HG21 VAL A 116 26.633 11.579 19.085 1.00 0.00 H ATOM 1734 HG22 VAL A 116 27.488 10.553 17.908 1.00 0.00 H ATOM 1735 HG23 VAL A 116 26.447 11.881 17.340 1.00 0.00 H ATOM 1736 H VAL A 116 26.615 10.051 20.764 1.00 0.00 H ATOM 1737 N PRO A 117 26.606 7.296 17.801 1.00 10.48 N ATOM 1738 CA PRO A 117 27.731 6.427 17.442 1.00 10.58 C ATOM 1739 C PRO A 117 28.921 7.220 16.904 1.00 10.08 C ATOM 1740 O PRO A 117 28.753 8.110 16.050 1.00 11.14 O ATOM 1741 CB PRO A 117 27.143 5.508 16.364 1.00 11.22 C ATOM 1742 CG PRO A 117 25.672 5.565 16.605 1.00 11.43 C ATOM 1743 CD PRO A 117 25.414 6.986 16.995 1.00 11.74 C ATOM 1744 HA PRO A 117 28.125 5.884 18.301 1.00 0.00 H ATOM 1745 HD3 PRO A 117 25.347 7.632 16.120 1.00 0.00 H ATOM 1746 HD2 PRO A 117 24.501 7.077 17.584 1.00 0.00 H ATOM 1747 HG3 PRO A 117 25.386 4.886 17.408 1.00 0.00 H ATOM 1748 HG2 PRO A 117 25.122 5.307 15.700 1.00 0.00 H ATOM 1749 HB2 PRO A 117 27.387 5.874 15.367 1.00 0.00 H ATOM 1750 HB3 PRO A 117 27.515 4.490 16.477 1.00 0.00 H ATOM 1751 N VAL A 118 30.114 6.894 17.388 1.00 8.95 N ATOM 1752 CA VAL A 118 31.330 7.523 16.894 1.00 9.84 C ATOM 1753 C VAL A 118 32.390 6.516 16.437 1.00 9.29 C ATOM 1754 O VAL A 118 33.425 6.898 15.897 1.00 10.18 O ATOM 1755 CB VAL A 118 31.936 8.480 17.945 1.00 9.86 C ATOM 1756 CG1 VAL A 118 30.991 9.632 18.275 1.00 11.23 C ATOM 1757 CG2 VAL A 118 32.270 7.743 19.236 1.00 10.89 C ATOM 1758 HA VAL A 118 31.028 8.095 16.017 1.00 0.00 H ATOM 1759 HB VAL A 118 32.848 8.881 17.503 1.00 0.00 H ATOM 1760 HG11 VAL A 118 30.786 10.203 17.369 1.00 0.00 H ATOM 1761 HG12 VAL A 118 30.058 9.232 18.673 1.00 0.00 H ATOM 1762 HG13 VAL A 118 31.456 10.280 19.018 1.00 0.00 H ATOM 1763 HG21 VAL A 118 31.361 7.304 19.648 1.00 0.00 H ATOM 1764 HG22 VAL A 118 32.993 6.954 19.026 1.00 0.00 H ATOM 1765 HG23 VAL A 118 32.694 8.445 19.954 1.00 0.00 H ATOM 1766 H VAL A 118 30.181 6.174 18.136 1.00 0.00 H ATOM 1767 N HIS A 119 32.156 5.225 16.674 1.00 8.23 N ATOM 1768 CA HIS A 119 33.152 4.196 16.349 1.00 8.20 C ATOM 1769 C HIS A 119 32.431 2.888 16.146 1.00 7.92 C ATOM 1770 O HIS A 119 31.510 2.549 16.894 1.00 9.23 O ATOM 1771 CB HIS A 119 34.159 4.113 17.501 1.00 9.37 C ATOM 1772 CG HIS A 119 34.920 2.827 17.599 1.00 9.12 C ATOM 1773 ND1 HIS A 119 36.060 2.566 16.869 1.00 12.14 N ATOM 1774 CD2 HIS A 119 34.735 1.754 18.411 1.00 10.11 C ATOM 1775 CE1 HIS A 119 36.524 1.372 17.202 1.00 11.02 C ATOM 1776 NE2 HIS A 119 35.735 0.856 18.132 1.00 10.05 N ATOM 1777 HA HIS A 119 33.696 4.437 15.436 1.00 0.00 H ATOM 1778 HB2 HIS A 119 34.879 4.922 17.377 1.00 0.00 H ATOM 1779 HB3 HIS A 119 33.614 4.254 18.435 1.00 0.00 H ATOM 1780 HD2 HIS A 119 33.941 1.629 19.147 1.00 0.00 H ATOM 1781 HE1 HIS A 119 37.408 0.893 16.781 1.00 0.00 H ATOM 1782 H HIS A 119 31.250 4.941 17.098 1.00 0.00 H ATOM 1783 N PHE A 120 32.844 2.160 15.120 1.00 7.61 N ATOM 1784 CA PHE A 120 32.356 0.816 14.901 1.00 7.49 C ATOM 1785 C PHE A 120 33.334 -0.165 15.544 1.00 7.40 C ATOM 1786 O PHE A 120 34.492 -0.217 15.152 1.00 8.60 O ATOM 1787 CB PHE A 120 32.195 0.497 13.415 1.00 8.06 C ATOM 1788 CG PHE A 120 31.419 -0.759 13.170 1.00 8.30 C ATOM 1789 CD1 PHE A 120 30.050 -0.721 12.900 1.00 9.69 C ATOM 1790 CD2 PHE A 120 32.056 -1.993 13.233 1.00 8.89 C ATOM 1791 CE1 PHE A 120 29.339 -1.906 12.701 1.00 10.50 C ATOM 1792 CE2 PHE A 120 31.334 -3.181 13.031 1.00 9.21 C ATOM 1793 CZ PHE A 120 29.981 -3.120 12.776 1.00 10.35 C ATOM 1794 HA PHE A 120 31.368 0.728 15.354 1.00 0.00 H ATOM 1795 HB2 PHE A 120 31.675 1.326 12.935 1.00 0.00 H ATOM 1796 HB3 PHE A 120 33.185 0.386 12.973 1.00 0.00 H ATOM 1797 HD2 PHE A 120 33.125 -2.039 13.441 1.00 0.00 H ATOM 1798 HE2 PHE A 120 31.841 -4.145 13.076 1.00 0.00 H ATOM 1799 HZ PHE A 120 29.415 -4.041 12.633 1.00 0.00 H ATOM 1800 HE1 PHE A 120 28.271 -1.869 12.485 1.00 0.00 H ATOM 1801 HD1 PHE A 120 29.534 0.238 12.844 1.00 0.00 H ATOM 1802 H PHE A 120 33.535 2.564 14.456 1.00 0.00 H ATOM 1803 N ASP A 121 32.869 -0.941 16.535 1.00 7.66 N ATOM 1804 CA ASP A 121 33.780 -1.824 17.279 1.00 8.59 C ATOM 1805 C ASP A 121 33.858 -3.259 16.762 1.00 9.30 C ATOM 1806 O ASP A 121 34.951 -3.815 16.676 1.00 10.66 O ATOM 1807 CB ASP A 121 33.428 -1.815 18.778 1.00 8.26 C ATOM 1808 CG ASP A 121 34.628 -2.125 19.669 1.00 8.86 C ATOM 1809 OD1 ASP A 121 35.688 -1.489 19.476 1.00 9.91 O ATOM 1810 OD2 ASP A 121 34.511 -2.974 20.587 1.00 8.69 O ATOM 1811 HA ASP A 121 34.775 -1.408 17.118 1.00 0.00 H ATOM 1812 HB2 ASP A 121 33.045 -0.829 19.040 1.00 0.00 H ATOM 1813 HB3 ASP A 121 32.657 -2.563 18.959 1.00 0.00 H ATOM 1814 H ASP A 121 31.858 -0.918 16.778 1.00 0.00 H ATOM 1815 N ALA A 122 32.709 -3.859 16.457 1.00 8.77 N ATOM 1816 CA ALA A 122 32.659 -5.285 16.120 1.00 9.67 C ATOM 1817 C ALA A 122 31.279 -5.645 15.640 1.00 9.58 C ATOM 1818 O ALA A 122 30.345 -4.883 15.795 1.00 9.76 O ATOM 1819 CB ALA A 122 33.002 -6.140 17.339 1.00 11.06 C ATOM 1820 HA ALA A 122 33.389 -5.478 15.334 1.00 0.00 H ATOM 1821 HB1 ALA A 122 34.006 -5.894 17.683 1.00 0.00 H ATOM 1822 HB2 ALA A 122 32.285 -5.940 18.135 1.00 0.00 H ATOM 1823 HB3 ALA A 122 32.959 -7.194 17.066 1.00 0.00 H ATOM 1824 H ALA A 122 31.829 -3.305 16.458 1.00 0.00 H ATOM 1825 N SER A 123 31.154 -6.844 15.084 1.00 11.76 N ATOM 1826 CA SER A 123 29.859 -7.461 14.880 1.00 13.76 C ATOM 1827 C SER A 123 29.951 -8.862 15.444 1.00 14.43 C ATOM 1828 O SER A 123 31.016 -9.475 15.435 1.00 15.97 O ATOM 1829 CB SER A 123 29.489 -7.507 13.398 1.00 14.52 C ATOM 1830 OG SER A 123 30.398 -8.323 12.686 1.00 17.37 O ATOM 1831 HA SER A 123 29.081 -6.882 15.378 1.00 0.00 H ATOM 1832 HB2 SER A 123 29.517 -6.497 12.989 1.00 0.00 H ATOM 1833 HB3 SER A 123 28.483 -7.913 13.292 1.00 0.00 H ATOM 1834 HG SER A 123 31.312 -7.955 12.779 1.00 0.00 H ATOM 1835 H SER A 123 32.010 -7.355 14.786 1.00 0.00 H ATOM 1836 N VAL A 124 28.825 -9.356 15.936 1.00 14.65 N ATOM 1837 CA VAL A 124 28.789 -10.659 16.581 1.00 16.10 C ATOM 1838 C VAL A 124 27.536 -11.414 16.200 1.00 17.28 C ATOM 1839 O VAL A 124 26.550 -10.834 15.740 1.00 18.17 O ATOM 1840 CB VAL A 124 28.871 -10.562 18.139 1.00 15.56 C ATOM 1841 CG1 VAL A 124 30.196 -9.933 18.585 1.00 16.57 C ATOM 1842 CG2 VAL A 124 27.667 -9.816 18.734 1.00 16.55 C ATOM 1843 HA VAL A 124 29.669 -11.196 16.228 1.00 0.00 H ATOM 1844 OXT VAL A 124 27.501 -12.634 16.409 1.00 18.92 O ATOM 1845 HB VAL A 124 28.837 -11.580 18.528 1.00 0.00 H ATOM 1846 HG11 VAL A 124 31.025 -10.545 18.229 1.00 0.00 H ATOM 1847 HG12 VAL A 124 30.279 -8.929 18.168 1.00 0.00 H ATOM 1848 HG13 VAL A 124 30.223 -9.879 19.673 1.00 0.00 H ATOM 1849 HG21 VAL A 124 27.633 -8.804 18.331 1.00 0.00 H ATOM 1850 HG22 VAL A 124 26.749 -10.343 18.473 1.00 0.00 H ATOM 1851 HG23 VAL A 124 27.767 -9.773 19.819 1.00 0.00 H ATOM 1852 H VAL A 124 27.949 -8.801 15.860 1.00 0.00 H TER 1853 VAL A 124 HETATM 1854 O HOH 1 30.546 -6.289 29.017 1.00 17.85 O HETATM 1855 O HOH 2 32.047 -6.985 24.992 1.00 9.10 O HETATM 1856 O HOH 3 30.955 7.649 26.186 1.00 10.14 O HETATM 1857 O HOH 4 37.514 -0.539 21.236 1.00 10.99 O HETATM 1858 O HOH 5 27.091 8.989 14.069 1.00 13.73 O HETATM 1859 O HOH 6 27.210 14.526 19.650 1.00 17.69 O HETATM 1860 O HOH 7 33.060 -4.956 21.838 1.00 9.35 O HETATM 1861 O HOH 8 40.846 -1.155 9.651 1.00 21.25 O HETATM 1862 O HOH 9 24.854 10.519 13.839 1.00 18.94 O HETATM 1863 O HOH 10 25.120 12.993 26.637 1.00 19.11 O HETATM 1864 O HOH 11 24.603 12.938 15.121 1.00 22.42 O HETATM 1865 O HOH 12 41.491 -4.349 25.868 1.00 15.07 O HETATM 1866 O HOH 13 32.096 -6.862 11.353 1.00 20.11 O HETATM 1867 O HOH 14 21.679 12.215 24.004 1.00 23.02 O HETATM 1868 O HOH 15 18.484 -1.080 26.582 1.00 16.96 O HETATM 1869 O HOH 16 28.915 -9.440 22.737 1.00 14.57 O HETATM 1870 O HOH 17 24.768 -13.496 8.287 1.00 28.63 O HETATM 1871 O HOH 18 37.107 1.116 31.436 1.00 33.19 O HETATM 1872 O HOH 19 17.858 -6.178 8.827 1.00 29.98 O HETATM 1873 O HOH 20 33.970 -7.919 14.447 1.00 20.47 O HETATM 1874 O HOH 21 46.631 -1.240 4.046 1.00 27.00 O HETATM 1875 O HOH 22 35.120 -5.405 -3.376 1.00 19.62 O HETATM 1876 O HOH 23 34.967 -9.440 3.627 1.00 22.34 O HETATM 1877 O HOH 24 30.334 13.957 17.098 1.00 22.35 O HETATM 1878 O HOH 25 18.137 -3.491 17.805 1.00 22.98 O HETATM 1879 O HOH 26 26.058 -10.040 -4.546 1.00 20.45 O HETATM 1880 O HOH 27 47.985 0.439 2.350 1.00 22.56 O HETATM 1881 O HOH 28 34.405 -9.312 -3.165 1.00 22.06 O HETATM 1882 O HOH 29 47.625 -1.727 6.628 1.00 45.08 O HETATM 1883 O HOH 30 21.238 8.666 22.401 1.00 23.38 O HETATM 1884 O HOH 31 34.067 8.615 14.044 1.00 20.01 O HETATM 1885 O HOH 32 33.865 6.058 12.618 1.00 18.09 O HETATM 1886 O HOH 33 36.755 12.835 4.159 1.00 31.38 O HETATM 1887 O HOH 34 20.271 6.213 21.399 1.00 22.22 O HETATM 1888 O HOH 35 29.378 12.832 19.457 1.00 16.81 O HETATM 1889 O HOH 36 16.735 0.175 9.428 1.00 21.08 O HETATM 1890 O HOH 37 33.411 -11.114 7.281 1.00 30.14 O HETATM 1891 O HOH 38 21.723 -9.852 27.558 1.00 18.31 O HETATM 1892 O HOH 39 43.769 5.334 -3.419 1.00 51.11 O HETATM 1893 O HOH 40 17.759 -0.125 16.578 1.00 16.52 O HETATM 1894 O HOH 41 25.206 0.425 31.507 1.00 17.99 O HETATM 1895 O HOH 42 29.171 12.413 7.202 1.00 22.37 O HETATM 1896 O HOH 43 22.162 8.012 19.034 1.00 18.31 O HETATM 1897 O HOH 44 49.558 9.346 1.995 1.00 47.98 O HETATM 1898 O HOH 45 23.016 -10.998 4.588 1.00 43.17 O HETATM 1899 O HOH 46 18.193 9.223 16.731 1.00 33.19 O HETATM 1900 O HOH 47 30.193 4.260 29.531 1.00 21.72 O HETATM 1901 O HOH 48 26.132 14.899 17.067 1.00 25.38 O HETATM 1902 O HOH 49 24.024 -8.209 -5.393 1.00 27.79 O HETATM 1903 O HOH 50 30.421 -14.943 10.446 1.00 28.43 O HETATM 1904 O HOH 51 31.398 14.072 6.605 1.00 27.76 O HETATM 1905 O HOH 52 17.102 6.705 17.023 1.00 21.48 O HETATM 1906 O HOH 53 17.651 -2.189 12.620 1.00 34.30 O HETATM 1907 O HOH 54 24.336 4.192 28.261 1.00 38.40 O HETATM 1908 O HOH 55 25.333 14.522 12.993 1.00 34.66 O HETATM 1909 O HOH 56 40.819 -6.565 22.526 1.00 20.94 O HETATM 1910 O HOH 57 23.541 1.555 29.458 1.00 23.20 O HETATM 1911 O HOH 58 40.033 -8.232 20.751 1.00 31.42 O HETATM 1912 O HOH 59 25.772 -7.923 -7.508 1.00 29.35 O HETATM 1913 O HOH 60 33.562 11.559 19.813 1.00 26.94 O HETATM 1914 O HOH 61 29.150 5.943 -1.359 1.00 37.40 O HETATM 1915 O HOH 62 33.651 15.552 16.881 1.00 48.90 O HETATM 1916 O HOH 63 14.010 4.274 10.680 1.00 35.45 O HETATM 1917 O HOH 64 37.393 -2.527 16.289 1.00 22.21 O HETATM 1918 O HOH 65 45.803 -3.772 -6.139 1.00 34.27 O HETATM 1919 O HOH 66 29.001 -14.439 17.717 1.00 25.88 O HETATM 1920 O HOH 67 29.159 16.703 22.781 1.00 23.33 O HETATM 1921 O HOH 68 40.672 -1.655 -6.725 1.00 41.53 O HETATM 1922 O HOH 69 31.666 -13.624 17.994 1.00 32.93 O HETATM 1923 O HOH 70 16.880 7.832 10.013 1.00 23.93 O HETATM 1924 O HOH 71 39.350 0.525 -3.092 1.00 29.89 O HETATM 1925 O HOH 72 42.949 -8.045 -5.368 1.00 37.03 O HETATM 1926 O HOH 73 24.095 -13.533 13.085 1.00 28.97 O HETATM 1927 O HOH 74 45.562 -5.154 4.827 1.00 30.64 O HETATM 1928 O HOH 75 31.747 16.826 7.601 1.00 42.95 O HETATM 1929 O HOH 76 31.322 -9.949 10.391 1.00 33.37 O HETATM 1930 O HOH 77 27.836 -6.308 29.445 1.00 21.49 O HETATM 1931 O HOH 78 46.943 10.965 -1.195 1.00 34.99 O HETATM 1932 O HOH 79 28.289 -9.348 -7.204 1.00 23.85 O HETATM 1933 O HOH 80 38.289 -7.493 -4.870 1.00 34.20 O HETATM 1934 O HOH 81 43.384 4.542 7.209 1.00 57.79 O HETATM 1935 O HOH 82 26.478 -14.104 14.120 1.00 35.34 O HETATM 1936 O HOH 83 27.347 -14.268 4.956 1.00 32.09 O HETATM 1937 O HOH 84 42.060 1.100 10.384 1.00 32.23 O HETATM 1938 O HOH 85 42.827 4.592 -6.615 1.00 53.56 O HETATM 1939 O HOH 86 28.563 -9.603 26.173 1.00 24.80 O HETATM 1940 O HOH 87 24.453 -15.301 16.891 1.00 30.01 O HETATM 1941 O HOH 88 16.778 3.329 5.624 1.00 34.89 O HETATM 1942 O HOH 89 20.177 9.947 18.659 1.00 26.74 O HETATM 1943 O HOH 90 33.941 -2.853 31.114 1.00 15.59 O HETATM 1944 O HOH 91 21.345 -12.227 26.188 1.00 30.16 O HETATM 1945 O HOH 92 28.186 -15.234 20.107 1.00 31.18 O HETATM 1946 O HOH 93 33.838 18.483 6.681 1.00 32.94 O HETATM 1947 O HOH 94 32.630 15.498 19.138 1.00 29.04 O HETATM 1948 O HOH 95 41.475 -5.066 18.242 1.00 51.31 O HETATM 1949 O HOH 96 26.720 -13.134 21.022 1.00 31.38 O HETATM 1950 O HOH 97 23.352 -16.107 12.535 1.00 61.41 O HETATM 1951 O HOH 98 39.130 11.322 19.247 1.00 24.63 O HETATM 1952 O HOH 99 34.882 5.093 -5.939 1.00 31.51 O HETATM 1953 O HOH 100 18.200 1.205 5.405 1.00 29.52 O HETATM 1954 O HOH 101 21.170 12.749 13.185 1.00 27.52 O HETATM 1955 O HOH 102 22.928 12.887 10.883 1.00 33.65 O HETATM 1956 O HOH 103 42.618 5.282 4.760 1.00 36.70 O HETATM 1957 O HOH 104 21.987 13.585 15.928 1.00 28.06 O HETATM 1958 O HOH 105 17.193 -9.976 15.209 1.00 30.22 O HETATM 1959 O HOH 106 26.400 -11.034 -1.261 1.00 24.36 O HETATM 1960 O HOH 107 29.157 -3.254 -9.155 1.00 31.39 O HETATM 1961 O HOH 108 18.091 -6.087 4.807 1.00 61.21 O HETATM 1962 O HOH 109 28.374 1.058 -8.791 1.00 49.37 O HETATM 1963 O HOH 110 37.864 10.845 16.587 1.00 44.73 O HETATM 1964 O HOH 111 40.442 11.627 12.181 1.00 60.02 O HETATM 1965 O HOH 112 18.340 10.766 13.167 1.00 37.10 O HETATM 1966 O HOH 113 35.168 2.761 -7.759 1.00 43.78 O HETATM 1967 O HOH 114 46.487 -8.268 3.425 1.00 75.85 O HETATM 1968 O HOH 115 16.797 -7.959 12.275 1.00 36.66 O HETATM 1969 O HOH 116 26.287 14.271 10.488 1.00 77.31 O HETATM 1970 O HOH 117 30.737 -10.644 -2.202 1.00 26.49 O HETATM 1971 O HOH 118 31.414 -11.292 13.405 1.00 35.45 O HETATM 1972 O HOH 119 42.703 15.369 -2.155 1.00 75.24 O HETATM 1973 O HOH 120 35.728 -8.324 10.365 1.00 45.26 O HETATM 1974 O HOH 121 18.196 0.848 -3.187 1.00 41.85 O HETATM 1975 O HOH 122 21.985 1.426 27.248 1.00 23.47 O HETATM 1976 O HOH 123 33.979 -9.373 19.030 1.00 22.08 O HETATM 1977 O HOH 124 20.599 12.378 17.918 1.00 30.84 O HETATM 1978 O HOH 125 25.506 -3.189 -7.746 1.00 39.56 O HETATM 1979 O HOH 126 17.151 -10.110 9.474 1.00 43.65 O HETATM 1980 O HOH 127 43.510 4.036 17.510 1.00 50.17 O HETATM 1981 O HOH 128 20.134 14.283 23.429 1.00 29.72 O HETATM 1982 O HOH 129 24.513 15.890 32.804 1.00 30.90 O HETATM 1983 O HOH 130 13.657 9.431 12.142 1.00 37.47 O HETATM 1984 O HOH 131 11.184 11.273 9.294 1.00 42.50 O HETATM 1985 O HOH 132 12.620 12.080 12.215 1.00 54.13 O HETATM 1986 O HOH 133 12.975 6.737 11.063 1.00 50.75 O HETATM 1987 O HOH 134 11.689 0.664 10.773 1.00 39.30 O HETATM 1988 O HOH 135 36.648 15.620 6.315 1.00 58.20 O HETATM 1989 O HOH 136 42.798 15.914 7.851 1.00 38.53 O HETATM 1990 O HOH 137 38.305 17.331 12.645 1.00 50.74 O HETATM 1991 O HOH 138 48.653 -13.142 0.294 1.00 44.03 O HETATM 1992 O HOH 139 38.284 -0.635 -8.461 1.00 80.03 O HETATM 1993 O HOH 140 26.818 5.282 -0.391 1.00 39.98 O HETATM 1994 O HOH 141 33.482 7.072 -6.589 1.00 51.52 O HETATM 1995 O HOH 142 49.486 2.966 8.730 1.00 39.13 O HETATM 1996 O HOH 143 47.814 -1.219 -0.059 1.00 27.03 O HETATM 1997 O HOH 144 39.786 -5.731 12.341 1.00 42.86 O HETATM 1998 O HOH 145 38.099 -7.714 12.866 1.00 39.75 O HETATM 1999 O HOH 146 35.475 -9.838 6.061 1.00 29.92 O HETATM 2000 O HOH 147 17.148 -2.411 15.386 1.00 20.42 O HETATM 2001 O HOH 148 43.219 9.375 8.783 1.00 45.99 O HETATM 2002 O HOH 149 19.899 22.989 24.563 1.00 29.82 O HETATM 2003 O HOH 150 20.824 -14.577 18.682 1.00 41.70 O HETATM 2004 O HOH 151 35.636 -4.423 -8.091 1.00 45.95 O HETATM 2005 O HOH 152 50.164 -1.025 -0.710 1.00 34.80 O HETATM 2006 O HOH 153 42.094 -3.074 11.121 1.00 32.22 O HETATM 2007 O HOH 154 31.057 -3.136 -11.866 1.00 43.19 O HETATM 2008 O HOH 155 32.265 -0.847 -11.935 1.00 42.49 O HETATM 2009 O HOH 156 36.786 -9.956 -4.206 1.00 31.58 O HETATM 2010 O HOH 157 30.255 -9.895 6.782 1.00 37.05 O HETATM 2011 O HOH 158 35.922 12.936 19.147 1.00 26.75 O HETATM 2012 O HOH 159 40.871 5.620 7.224 1.00 51.10 O HETATM 2013 O HOH 160 36.340 10.404 14.495 1.00 41.30 O HETATM 2014 O HOH 161 35.329 5.804 26.303 1.00 23.55 O HETATM 2015 O HOH 162 34.845 3.529 13.565 1.00 15.45 O HETATM 2016 O HOH 163 25.392 -1.012 -3.752 1.00 38.48 O HETATM 2017 O HOH 164 33.401 -6.275 -11.535 1.00 43.62 O HETATM 2018 O HOH 165 38.638 8.603 6.510 1.00 45.29 O HETATM 2019 O HOH 166 37.339 5.166 27.993 1.00 29.31 O HETATM 2020 O HOH 167 38.747 3.174 29.149 1.00 35.69 O HETATM 2021 O HOH 168 36.041 3.695 29.190 1.00 28.91 O HETATM 2022 O HOH 169 24.909 -8.497 -0.643 1.00 34.34 O HETATM 2023 N1 UDP A 170 36.435 -2.005 11.987 1.00 -0.16 N HETATM 2024 C2 UDP A 170 35.242 -2.171 11.344 1.00 0.33 C HETATM 2025 N3 UDP A 170 34.544 -3.347 11.503 1.00 -0.19 N HETATM 2026 C4 UDP A 170 35.023 -4.370 12.299 1.00 0.18 C HETATM 2027 C5 UDP A 170 36.246 -4.198 12.961 1.00 0.01 C HETATM 2028 C6 UDP A 170 36.914 -2.978 12.832 1.00 0.06 C HETATM 2029 H3 UDP A 170 37.822 -2.796 13.405 1.00 0.12 H HETATM 2030 H2 UDP A 170 36.668 -5.000 13.565 1.00 0.03 H HETATM 2031 O4 UDP A 170 34.338 -5.401 12.393 1.00 -0.41 O HETATM 2032 H1 UDP A 170 33.670 -3.464 11.031 1.00 0.23 H HETATM 2033 O2 UDP A 170 34.796 -1.263 10.642 1.00 -0.38 O HETATM 2034 C1' UDP A 170 37.147 -0.724 11.756 1.00 0.21 C HETATM 2035 C2' UDP A 170 36.693 0.406 12.671 1.00 0.14 C HETATM 2036 O2' UDP A 170 36.616 1.617 11.921 1.00 -0.38 O HETATM 2037 H6 UDP A 170 36.333 2.323 12.490 1.00 0.21 H HETATM 2038 C3' UDP A 170 37.852 0.481 13.624 1.00 0.11 C HETATM 2039 C4' UDP A 170 39.050 0.133 12.735 1.00 0.12 C HETATM 2040 O4' UDP A 170 38.551 -0.905 11.907 1.00 -0.34 O HETATM 2041 C5' UDP A 170 40.294 -0.326 13.486 1.00 0.11 C HETATM 2042 O5' UDP A 170 39.884 -0.969 14.669 1.00 -0.24 O HETATM 2043 PA UDP A 170 40.100 -0.294 16.120 1.00 0.33 P HETATM 2044 O1A UDP A 170 40.109 1.190 16.024 1.00 -0.56 O HETATM 2045 O2A UDP A 170 39.041 -0.711 17.068 1.00 -0.56 O HETATM 2046 O3A UDP A 170 41.537 -0.831 16.605 1.00 -0.15 O HETATM 2047 PB UDP A 170 42.098 -2.271 16.150 1.00 0.21 P HETATM 2048 O1B UDP A 170 40.980 -3.231 15.987 1.00 -0.59 O HETATM 2049 O2B UDP A 170 42.786 -2.122 14.843 1.00 -0.59 O HETATM 2050 O3B UDP A 170 43.037 -2.777 17.183 1.00 -0.59 O HETATM 2051 H10 UDP A 170 40.921 0.543 13.733 1.00 0.06 H HETATM 2052 H11 UDP A 170 40.868 -1.026 12.862 1.00 0.06 H HETATM 2053 H8 UDP A 170 39.323 1.009 12.128 1.00 0.07 H HETATM 2054 O3' UDP A 170 37.933 1.741 14.266 1.00 -0.39 O HETATM 2055 H9 UDP A 170 38.703 1.763 14.823 1.00 0.21 H HETATM 2056 H7 UDP A 170 37.744 -0.284 14.407 1.00 0.06 H HETATM 2057 H5 UDP A 170 35.739 0.191 13.175 1.00 0.07 H HETATM 2058 H4 UDP A 170 36.946 -0.417 10.719 1.00 0.10 H CONECT 1 2 22 23 24 CONECT 22 1 CONECT 23 1 CONECT 24 1 CONECT 367 366 1248 CONECT 604 603 1411 CONECT 872 871 1645 CONECT 972 971 1070 CONECT 1070 972 1069 CONECT 1248 367 1247 CONECT 1411 604 1410 CONECT 1645 872 1644 CONECT 2023 2024 2028 2034 CONECT 2024 2023 2025 2033 CONECT 2025 2024 2026 2032 CONECT 2026 2025 2027 2031 CONECT 2027 2026 2028 2030 CONECT 2028 2023 2027 2029 CONECT 2029 2028 CONECT 2030 2027 CONECT 2031 2026 CONECT 2032 2025 CONECT 2033 2024 CONECT 2034 2023 2035 2040 2058 CONECT 2035 2034 2036 2038 2057 CONECT 2036 2035 2037 CONECT 2037 2036 CONECT 2038 2035 2039 2054 2056 CONECT 2039 2038 2040 2041 2053 CONECT 2040 2034 2039 CONECT 2041 2039 2042 2051 2052 CONECT 2042 2041 2043 CONECT 2043 2042 2044 2045 2046 CONECT 2044 2043 CONECT 2045 2043 CONECT 2046 2043 2047 CONECT 2047 2046 2048 2049 2050 CONECT 2048 2047 CONECT 2049 2047 CONECT 2050 2047 CONECT 2051 2041 CONECT 2052 2041 CONECT 2053 2039 CONECT 2054 2038 2055 CONECT 2055 2054 CONECT 2056 2038 CONECT 2057 2035 CONECT 2058 2034 MASTER 0 0 0 0 0 0 0 0 2057 1 48 10 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1gww
RCSB PDB
PDBbind
UDP
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Entry Information
PDB ID
3dxh
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
ribonuclease A (RNase A)
Ligand Name
UDP
EC.Number
E.C.3.1.27.5
Resolution
1.4(Å)
Affinity (Kd/Ki/IC50)
Ki=0.65mM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) Acta Crystallogr.,Sect.F 65, pp. 671鈥677
Ligand Properties
Formula
C
9
H
1
6
N
2
O
1
2
P
2
Molecular Weight
406.177
Exact Mass
406.018
No. of atoms
41
No. of bonds
42
Polar Surface Area
251.34
LOGP Value
-5.29 (
Computed with XLOGP3
)
-3.49 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 14
No. of Rings: 2
Canonical SMILES
O[C@@H]1[C@@H](COP(OP(O)(O)O)(O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
InChI String
InChI=1S/C9H18N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14,16-20,24-25H,3H2,(H,10,12,15)/t4-,6-,7-,8-/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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