Browse entries in the PDBbind-CN Database
HEADER 4G8Y_COMPLEX COMPND 4G8Y_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 UNN A 249 43 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 35.020 -21.315 26.332 1.00 33.85 N ATOM 2 CA LYS A 1 35.743 -20.131 25.883 1.00 35.23 C ATOM 3 C LYS A 1 34.804 -18.938 25.743 1.00 34.43 C ATOM 4 O LYS A 1 33.651 -19.093 25.326 1.00 25.50 O ATOM 5 CB LYS A 1 36.447 -20.399 24.551 1.00 41.09 C ATOM 6 CG LYS A 1 37.366 -19.271 24.089 1.00 46.25 C ATOM 7 CD LYS A 1 38.635 -19.187 24.936 1.00 43.68 C ATOM 8 CE LYS A 1 38.671 -17.930 25.804 1.00 43.50 C ATOM 9 NZ LYS A 1 38.037 -18.113 27.146 1.00 38.31 N ATOM 10 HA LYS A 1 36.494 -19.895 26.637 1.00 0.00 H ATOM 11 HB2 LYS A 1 37.044 -21.305 24.656 1.00 0.00 H ATOM 12 HB3 LYS A 1 35.685 -20.554 23.787 1.00 0.00 H ATOM 13 HG2 LYS A 1 37.646 -19.447 23.050 1.00 0.00 H ATOM 14 HG3 LYS A 1 36.829 -18.325 24.164 1.00 0.00 H ATOM 15 HD2 LYS A 1 38.683 -20.062 25.584 1.00 0.00 H ATOM 16 HD3 LYS A 1 39.500 -19.180 24.273 1.00 0.00 H ATOM 17 HE2 LYS A 1 38.144 -17.133 25.279 1.00 0.00 H ATOM 18 HE3 LYS A 1 39.712 -17.641 25.950 1.00 0.00 H ATOM 19 HZ1 LYS A 1 37.039 -18.379 27.023 1.00 0.00 H ATOM 20 HZ2 LYS A 1 38.536 -18.864 27.664 1.00 0.00 H ATOM 21 HZ3 LYS A 1 38.097 -17.223 27.681 1.00 0.00 H ATOM 22 HN3 LYS A 1 34.280 -21.551 25.640 1.00 0.00 H ATOM 23 HN2 LYS A 1 34.583 -21.123 27.256 1.00 0.00 H ATOM 24 HN1 LYS A 1 35.682 -22.112 26.419 1.00 0.00 H ATOM 25 N GLU A 2 35.305 -17.755 26.104 1.00 30.11 N ATOM 26 CA GLU A 2 34.546 -16.513 25.979 1.00 25.60 C ATOM 27 C GLU A 2 34.564 -16.037 24.535 1.00 19.94 C ATOM 28 O GLU A 2 35.624 -15.737 23.980 1.00 26.30 O ATOM 29 CB GLU A 2 35.121 -15.414 26.886 1.00 24.54 C ATOM 30 CG GLU A 2 34.247 -14.152 26.960 1.00 20.16 C ATOM 31 CD GLU A 2 34.872 -13.019 27.771 1.00 17.55 C ATOM 32 OE1 GLU A 2 36.088 -12.776 27.646 1.00 18.11 O ATOM 33 OE2 GLU A 2 34.140 -12.359 28.533 1.00 20.10 O ATOM 34 HA GLU A 2 33.521 -16.715 26.289 1.00 0.00 H ATOM 35 HB2 GLU A 2 35.227 -15.819 27.892 1.00 0.00 H ATOM 36 HB3 GLU A 2 36.102 -15.131 26.504 1.00 0.00 H ATOM 37 HG2 GLU A 2 34.073 -13.794 25.945 1.00 0.00 H ATOM 38 HG3 GLU A 2 33.295 -14.419 27.418 1.00 0.00 H ATOM 39 H GLU A 2 36.271 -17.716 26.488 1.00 0.00 H ATOM 40 N THR A 3 33.383 -15.973 23.935 1.00 18.68 N ATOM 41 CA THR A 3 33.238 -15.465 22.576 1.00 19.21 C ATOM 42 C THR A 3 33.454 -13.954 22.547 1.00 16.21 C ATOM 43 O THR A 3 33.442 -13.293 23.584 1.00 13.93 O ATOM 44 CB THR A 3 31.844 -15.779 21.990 1.00 16.16 C ATOM 45 OG1 THR A 3 30.825 -15.077 22.723 1.00 18.25 O ATOM 46 CG2 THR A 3 31.559 -17.277 22.018 1.00 18.37 C ATOM 47 HA THR A 3 33.992 -15.964 21.968 1.00 0.00 H ATOM 48 HB THR A 3 31.836 -15.446 20.952 1.00 0.00 H ATOM 49 HG1 THR A 3 29.938 -15.287 22.337 1.00 0.00 H ATOM 50 HG23 THR A 3 32.334 -17.804 21.461 1.00 0.00 H ATOM 51 HG21 THR A 3 31.552 -17.625 23.051 1.00 0.00 H ATOM 52 HG22 THR A 3 30.588 -17.469 21.562 1.00 0.00 H ATOM 53 H THR A 3 32.537 -16.294 24.448 1.00 0.00 H ATOM 54 N ALA A 4 33.652 -13.419 21.349 1.00 18.41 N ATOM 55 CA ALA A 4 33.826 -11.981 21.164 1.00 14.87 C ATOM 56 C ALA A 4 32.574 -11.234 21.607 1.00 11.84 C ATOM 57 O ALA A 4 32.654 -10.146 22.197 1.00 12.37 O ATOM 58 CB ALA A 4 34.132 -11.678 19.706 1.00 9.48 C ATOM 59 HA ALA A 4 34.663 -11.647 21.777 1.00 0.00 H ATOM 60 HB1 ALA A 4 35.048 -12.191 19.414 1.00 0.00 H ATOM 61 HB2 ALA A 4 33.306 -12.023 19.083 1.00 0.00 H ATOM 62 HB3 ALA A 4 34.260 -10.603 19.579 1.00 0.00 H ATOM 63 H ALA A 4 33.684 -14.042 20.517 1.00 0.00 H ATOM 64 N ALA A 5 31.412 -11.808 21.308 1.00 13.43 N ATOM 65 CA ALA A 5 30.152 -11.187 21.700 1.00 12.23 C ATOM 66 C ALA A 5 30.009 -11.177 23.220 1.00 13.77 C ATOM 67 O ALA A 5 29.556 -10.188 23.796 1.00 9.96 O ATOM 68 CB ALA A 5 28.971 -11.894 21.053 1.00 14.27 C ATOM 69 HA ALA A 5 30.159 -10.155 21.348 1.00 0.00 H ATOM 70 HB1 ALA A 5 29.066 -11.839 19.969 1.00 0.00 H ATOM 71 HB2 ALA A 5 28.959 -12.938 21.365 1.00 0.00 H ATOM 72 HB3 ALA A 5 28.045 -11.410 21.363 1.00 0.00 H ATOM 73 H ALA A 5 31.402 -12.709 20.789 1.00 0.00 H ATOM 74 N ALA A 6 30.394 -12.278 23.867 1.00 9.04 N ATOM 75 CA ALA A 6 30.377 -12.333 25.328 1.00 11.24 C ATOM 76 C ALA A 6 31.346 -11.320 25.941 1.00 9.68 C ATOM 77 O ALA A 6 31.043 -10.691 26.948 1.00 9.69 O ATOM 78 CB ALA A 6 30.706 -13.759 25.821 1.00 13.21 C ATOM 79 HA ALA A 6 29.371 -12.071 25.656 1.00 0.00 H ATOM 80 HB1 ALA A 6 29.965 -14.457 25.432 1.00 0.00 H ATOM 81 HB2 ALA A 6 31.697 -14.045 25.467 1.00 0.00 H ATOM 82 HB3 ALA A 6 30.688 -13.778 26.911 1.00 0.00 H ATOM 83 H ALA A 6 30.710 -13.108 23.326 1.00 0.00 H ATOM 84 N LYS A 7 32.511 -11.162 25.333 1.00 8.13 N ATOM 85 CA LYS A 7 33.507 -10.233 25.847 1.00 9.81 C ATOM 86 C LYS A 7 32.985 -8.805 25.746 1.00 11.66 C ATOM 87 O LYS A 7 33.186 -8.007 26.651 1.00 10.36 O ATOM 88 CB LYS A 7 34.813 -10.372 25.077 1.00 15.66 C ATOM 89 CG LYS A 7 35.924 -9.472 25.572 1.00 15.09 C ATOM 90 CD LYS A 7 37.205 -9.838 24.871 1.00 17.64 C ATOM 91 CE LYS A 7 38.298 -8.834 25.142 1.00 22.70 C ATOM 92 NZ LYS A 7 39.531 -9.236 24.431 1.00 21.91 N ATOM 93 HA LYS A 7 33.698 -10.468 26.894 1.00 0.00 H ATOM 94 HB2 LYS A 7 35.149 -11.406 25.157 1.00 0.00 H ATOM 95 HB3 LYS A 7 34.620 -10.134 24.031 1.00 0.00 H ATOM 96 HG2 LYS A 7 35.675 -8.433 25.358 1.00 0.00 H ATOM 97 HG3 LYS A 7 36.047 -9.601 26.647 1.00 0.00 H ATOM 98 HD2 LYS A 7 37.531 -10.818 25.220 1.00 0.00 H ATOM 99 HD3 LYS A 7 37.021 -9.879 23.797 1.00 0.00 H ATOM 100 HE2 LYS A 7 38.494 -8.792 26.213 1.00 0.00 H ATOM 101 HE3 LYS A 7 37.982 -7.851 24.793 1.00 0.00 H ATOM 102 HZ1 LYS A 7 39.832 -10.174 24.765 1.00 0.00 H ATOM 103 HZ2 LYS A 7 39.343 -9.275 23.409 1.00 0.00 H ATOM 104 HZ3 LYS A 7 40.281 -8.541 24.621 1.00 0.00 H ATOM 105 H LYS A 7 32.718 -11.710 24.474 1.00 0.00 H ATOM 106 N PHE A 8 32.303 -8.483 24.648 1.00 8.34 N ATOM 107 CA PHE A 8 31.664 -7.167 24.534 1.00 7.99 C ATOM 108 C PHE A 8 30.653 -6.941 25.663 1.00 6.90 C ATOM 109 O PHE A 8 30.592 -5.862 26.230 1.00 8.83 O ATOM 110 CB PHE A 8 30.981 -6.990 23.167 1.00 10.44 C ATOM 111 CG PHE A 8 30.183 -5.714 23.045 1.00 7.81 C ATOM 112 CD1 PHE A 8 30.755 -4.573 22.496 1.00 7.03 C ATOM 113 CD2 PHE A 8 28.860 -5.657 23.470 1.00 7.37 C ATOM 114 CE1 PHE A 8 30.027 -3.389 22.392 1.00 5.79 C ATOM 115 CE2 PHE A 8 28.133 -4.481 23.383 1.00 7.72 C ATOM 116 CZ PHE A 8 28.716 -3.345 22.838 1.00 8.69 C ATOM 117 HA PHE A 8 32.452 -6.419 24.621 1.00 0.00 H ATOM 118 HB2 PHE A 8 31.751 -6.989 22.395 1.00 0.00 H ATOM 119 HB3 PHE A 8 30.309 -7.833 23.007 1.00 0.00 H ATOM 120 HD2 PHE A 8 28.388 -6.551 23.878 1.00 0.00 H ATOM 121 HE2 PHE A 8 27.104 -4.448 23.742 1.00 0.00 H ATOM 122 HZ PHE A 8 28.144 -2.421 22.761 1.00 0.00 H ATOM 123 HE1 PHE A 8 30.488 -2.500 21.961 1.00 0.00 H ATOM 124 HD1 PHE A 8 31.786 -4.604 22.142 1.00 0.00 H ATOM 125 H PHE A 8 32.223 -9.167 23.869 1.00 0.00 H ATOM 126 N GLU A 9 29.842 -7.944 25.969 1.00 9.22 N ATOM 127 CA GLU A 9 28.850 -7.781 27.028 1.00 8.55 C ATOM 128 C GLU A 9 29.540 -7.542 28.377 1.00 9.44 C ATOM 129 O GLU A 9 29.101 -6.699 29.158 1.00 7.78 O ATOM 130 CB GLU A 9 27.928 -9.001 27.112 1.00 8.83 C ATOM 131 CG GLU A 9 26.995 -9.140 25.913 1.00 9.53 C ATOM 132 CD GLU A 9 25.949 -10.218 26.094 1.00 16.50 C ATOM 133 OE1 GLU A 9 25.512 -10.449 27.244 1.00 16.03 O ATOM 134 OE2 GLU A 9 25.556 -10.827 25.078 1.00 14.75 O ATOM 135 HA GLU A 9 28.240 -6.911 26.786 1.00 0.00 H ATOM 136 HB2 GLU A 9 28.545 -9.897 27.175 1.00 0.00 H ATOM 137 HB3 GLU A 9 27.322 -8.915 28.014 1.00 0.00 H ATOM 138 HG2 GLU A 9 26.488 -8.188 25.756 1.00 0.00 H ATOM 139 HG3 GLU A 9 27.593 -9.381 25.034 1.00 0.00 H ATOM 140 H GLU A 9 29.912 -8.846 25.456 1.00 0.00 H ATOM 141 N ARG A 10 30.622 -8.275 28.633 1.00 8.13 N ATOM 142 CA ARG A 10 31.377 -8.119 29.892 1.00 10.78 C ATOM 143 C ARG A 10 32.081 -6.759 29.991 1.00 8.43 C ATOM 144 O ARG A 10 32.102 -6.132 31.046 1.00 12.30 O ATOM 145 CB ARG A 10 32.431 -9.226 30.031 1.00 9.80 C ATOM 146 CG ARG A 10 33.409 -8.989 31.188 1.00 14.06 C ATOM 147 CD ARG A 10 34.370 -10.156 31.399 1.00 14.82 C ATOM 148 NE ARG A 10 35.205 -10.453 30.231 1.00 13.02 N ATOM 149 CZ ARG A 10 36.366 -9.864 29.956 1.00 14.50 C ATOM 150 NH1 ARG A 10 36.855 -8.924 30.758 1.00 13.54 N ATOM 151 NH2 ARG A 10 37.044 -10.219 28.872 1.00 19.20 N ATOM 152 HA ARG A 10 30.645 -8.187 30.697 1.00 0.00 H ATOM 153 HB2 ARG A 10 31.919 -10.173 30.199 1.00 0.00 H ATOM 154 HB3 ARG A 10 33.000 -9.282 29.103 1.00 0.00 H ATOM 155 HG2 ARG A 10 33.991 -8.093 30.974 1.00 0.00 H ATOM 156 HG3 ARG A 10 32.836 -8.839 32.103 1.00 0.00 H ATOM 157 HD2 ARG A 10 33.785 -11.044 31.639 1.00 0.00 H ATOM 158 HD3 ARG A 10 35.024 -9.916 32.237 1.00 0.00 H ATOM 159 HE ARG A 10 34.864 -11.178 29.568 1.00 0.00 H ATOM 160 HH12 ARG A 10 37.763 -8.470 30.534 1.00 0.00 H ATOM 161 HH11 ARG A 10 36.329 -8.642 31.610 1.00 0.00 H ATOM 162 HH22 ARG A 10 37.952 -9.761 28.653 1.00 0.00 H ATOM 163 HH21 ARG A 10 36.668 -10.955 28.241 1.00 0.00 H ATOM 164 H ARG A 10 30.942 -8.972 27.931 1.00 0.00 H ATOM 165 N GLN A 11 32.658 -6.306 28.885 1.00 9.22 N ATOM 166 CA GLN A 11 33.384 -5.041 28.890 1.00 7.29 C ATOM 167 C GLN A 11 32.483 -3.818 28.816 1.00 10.32 C ATOM 168 O GLN A 11 32.847 -2.756 29.312 1.00 9.88 O ATOM 169 CB GLN A 11 34.398 -5.010 27.744 1.00 10.58 C ATOM 170 CG GLN A 11 35.491 -6.053 27.890 1.00 13.88 C ATOM 171 CD GLN A 11 36.681 -5.790 26.988 1.00 20.95 C ATOM 172 OE1 GLN A 11 37.827 -5.815 27.440 1.00 28.85 O ATOM 173 NE2 GLN A 11 36.419 -5.549 25.707 1.00 12.06 N ATOM 174 HA GLN A 11 33.897 -4.990 29.850 1.00 0.00 H ATOM 175 HB2 GLN A 11 33.870 -5.189 26.808 1.00 0.00 H ATOM 176 HB3 GLN A 11 34.861 -4.023 27.716 1.00 0.00 H ATOM 177 HG2 GLN A 11 35.833 -6.057 28.925 1.00 0.00 H ATOM 178 HG3 GLN A 11 35.076 -7.030 27.642 1.00 0.00 H ATOM 179 HE22 GLN A 11 35.435 -5.538 25.371 1.00 0.00 H ATOM 180 HE21 GLN A 11 37.198 -5.372 25.041 1.00 0.00 H ATOM 181 H GLN A 11 32.592 -6.858 28.006 1.00 0.00 H ATOM 182 N HIS A 12 31.301 -3.959 28.209 1.00 8.42 N ATOM 183 CA HIS A 12 30.550 -2.773 27.802 1.00 6.18 C ATOM 184 C HIS A 12 29.074 -2.707 28.143 1.00 7.98 C ATOM 185 O HIS A 12 28.470 -1.668 27.938 1.00 8.39 O ATOM 186 CB HIS A 12 30.708 -2.554 26.296 1.00 7.07 C ATOM 187 CG HIS A 12 32.124 -2.335 25.870 1.00 5.17 C ATOM 188 ND1 HIS A 12 32.859 -1.244 26.278 1.00 8.43 N ATOM 189 CD2 HIS A 12 32.933 -3.063 25.073 1.00 8.07 C ATOM 190 CE1 HIS A 12 34.062 -1.308 25.742 1.00 11.14 C ATOM 191 NE2 HIS A 12 34.140 -2.405 25.012 1.00 8.46 N ATOM 192 HA HIS A 12 30.999 -1.986 28.408 1.00 0.00 H ATOM 193 HB2 HIS A 12 30.323 -3.432 25.777 1.00 0.00 H ATOM 194 HB3 HIS A 12 30.123 -1.680 26.011 1.00 0.00 H ATOM 195 HD2 HIS A 12 32.678 -3.997 24.572 1.00 0.00 H ATOM 196 HE1 HIS A 12 34.859 -0.577 25.879 1.00 0.00 H ATOM 197 H HIS A 12 30.917 -4.908 28.027 1.00 0.00 H ATOM 198 N MET A 13 28.482 -3.793 28.637 1.00 7.14 N ATOM 199 CA MET A 13 27.070 -3.744 28.990 1.00 9.87 C ATOM 200 C MET A 13 26.891 -3.603 30.502 1.00 5.35 C ATOM 201 O MET A 13 27.468 -4.362 31.271 1.00 10.91 O ATOM 202 CB MET A 13 26.306 -4.980 28.496 1.00 10.60 C ATOM 203 CG MET A 13 26.212 -5.119 26.966 1.00 9.75 C ATOM 204 SD MET A 13 25.325 -3.746 26.211 1.00 9.86 S ATOM 205 CE MET A 13 23.730 -3.823 27.037 1.00 10.26 C ATOM 206 HA MET A 13 26.654 -2.868 28.492 1.00 0.00 H ATOM 207 HB2 MET A 13 26.807 -5.866 28.886 1.00 0.00 H ATOM 208 HB3 MET A 13 25.292 -4.933 28.894 1.00 0.00 H ATOM 209 HG2 MET A 13 25.691 -6.047 26.729 1.00 0.00 H ATOM 210 HG3 MET A 13 27.220 -5.155 26.554 1.00 0.00 H ATOM 211 HE1 MET A 13 23.266 -4.789 26.840 1.00 0.00 H ATOM 212 HE2 MET A 13 23.872 -3.699 28.111 1.00 0.00 H ATOM 213 HE3 MET A 13 23.088 -3.027 26.660 1.00 0.00 H ATOM 214 H MET A 13 29.025 -4.670 28.770 1.00 0.00 H ATOM 215 N ASP A 14 26.091 -2.631 30.909 1.00 11.53 N ATOM 216 CA ASP A 14 25.615 -2.571 32.285 1.00 8.90 C ATOM 217 C ASP A 14 24.179 -2.093 32.302 1.00 10.53 C ATOM 218 O ASP A 14 23.898 -0.935 32.658 1.00 13.51 O ATOM 219 CB ASP A 14 26.459 -1.648 33.151 1.00 9.11 C ATOM 220 CG ASP A 14 26.031 -1.697 34.608 1.00 16.30 C ATOM 221 OD1 ASP A 14 25.366 -2.690 34.964 1.00 18.93 O ATOM 222 OD2 ASP A 14 26.333 -0.759 35.374 1.00 16.36 O ATOM 223 HA ASP A 14 25.692 -3.576 32.700 1.00 0.00 H ATOM 224 HB2 ASP A 14 27.503 -1.952 33.079 1.00 0.00 H ATOM 225 HB3 ASP A 14 26.354 -0.626 32.786 1.00 0.00 H ATOM 226 H ASP A 14 25.796 -1.896 30.234 1.00 0.00 H ATOM 227 N SER A 15 23.271 -2.987 31.930 1.00 10.93 N ATOM 228 CA SER A 15 21.862 -2.643 31.822 1.00 10.70 C ATOM 229 C SER A 15 21.245 -2.418 33.206 1.00 21.74 C ATOM 230 O SER A 15 20.211 -1.766 33.320 1.00 27.22 O ATOM 231 CB SER A 15 21.102 -3.757 31.084 1.00 15.23 C ATOM 232 OG SER A 15 21.694 -4.081 29.831 1.00 12.60 O ATOM 233 HA SER A 15 21.780 -1.716 31.255 1.00 0.00 H ATOM 234 HB2 SER A 15 20.077 -3.427 30.912 1.00 0.00 H ATOM 235 HB3 SER A 15 21.095 -4.650 31.709 1.00 0.00 H ATOM 236 HG SER A 15 21.698 -3.278 29.252 1.00 0.00 H ATOM 237 H SER A 15 23.575 -3.957 31.710 1.00 0.00 H ATOM 238 N SER A 16 21.897 -2.931 34.251 1.00 18.89 N ATOM 239 CA SER A 16 21.301 -2.956 35.602 1.00 25.25 C ATOM 240 C SER A 16 21.108 -1.609 36.305 1.00 32.55 C ATOM 241 O SER A 16 20.395 -1.533 37.308 1.00 36.42 O ATOM 242 CB SER A 16 22.066 -3.906 36.529 1.00 23.93 C ATOM 243 OG SER A 16 21.970 -5.240 36.069 1.00 32.39 O ATOM 244 HA SER A 16 20.290 -3.315 35.408 1.00 0.00 H ATOM 245 HB2 SER A 16 21.646 -3.842 37.533 1.00 0.00 H ATOM 246 HB3 SER A 16 23.115 -3.612 36.557 1.00 0.00 H ATOM 247 HG SER A 16 22.470 -5.836 36.681 1.00 0.00 H ATOM 248 H SER A 16 22.850 -3.323 34.110 1.00 0.00 H ATOM 249 N THR A 17 21.749 -0.556 35.805 1.00 33.53 N ATOM 250 CA THR A 17 21.507 0.785 36.335 1.00 35.18 C ATOM 251 C THR A 17 21.179 1.761 35.209 1.00 38.32 C ATOM 252 O THR A 17 21.683 1.630 34.099 1.00 26.77 O ATOM 253 CB THR A 17 22.691 1.316 37.172 1.00 35.54 C ATOM 254 OG1 THR A 17 22.316 2.549 37.808 1.00 37.30 O ATOM 255 CG2 THR A 17 23.934 1.526 36.291 1.00 23.72 C ATOM 256 HA THR A 17 20.649 0.706 37.003 1.00 0.00 H ATOM 257 HB THR A 17 22.940 0.578 37.935 1.00 0.00 H ATOM 258 HG1 THR A 17 23.077 2.887 38.344 1.00 0.00 H ATOM 259 HG23 THR A 17 24.205 0.583 35.817 1.00 0.00 H ATOM 260 HG21 THR A 17 23.713 2.269 35.525 1.00 0.00 H ATOM 261 HG22 THR A 17 24.761 1.874 36.909 1.00 0.00 H ATOM 262 H THR A 17 22.429 -0.688 35.029 1.00 0.00 H ATOM 263 N SER A 18 20.324 2.735 35.506 1.00 36.52 N ATOM 264 CA SER A 18 19.840 3.672 34.497 1.00 38.60 C ATOM 265 C SER A 18 20.959 4.601 34.047 1.00 33.62 C ATOM 266 O SER A 18 21.055 4.958 32.869 1.00 30.29 O ATOM 267 CB SER A 18 18.676 4.495 35.058 1.00 36.60 C ATOM 268 OG SER A 18 17.610 3.656 35.481 1.00 45.25 O ATOM 269 HA SER A 18 19.493 3.101 33.636 1.00 0.00 H ATOM 270 HB2 SER A 18 18.312 5.170 34.284 1.00 0.00 H ATOM 271 HB3 SER A 18 19.030 5.077 35.909 1.00 0.00 H ATOM 272 HG SER A 18 16.874 4.214 35.838 1.00 0.00 H ATOM 273 H SER A 18 19.990 2.832 36.486 1.00 0.00 H ATOM 274 N ALA A 19 21.804 4.972 35.004 1.00 33.94 N ATOM 275 CA ALA A 19 22.864 5.950 34.796 1.00 32.03 C ATOM 276 C ALA A 19 23.581 6.189 36.108 1.00 40.74 C ATOM 277 O ALA A 19 24.794 6.405 36.129 1.00 34.80 O ATOM 278 CB ALA A 19 22.279 7.267 34.302 1.00 37.76 C ATOM 279 HA ALA A 19 23.560 5.567 34.049 1.00 0.00 H ATOM 280 HB1 ALA A 19 21.758 7.101 33.359 1.00 0.00 H ATOM 281 HB2 ALA A 19 21.579 7.653 35.043 1.00 0.00 H ATOM 282 HB3 ALA A 19 23.084 7.987 34.152 1.00 0.00 H ATOM 283 H ALA A 19 21.704 4.544 35.946 1.00 0.00 H ATOM 284 N ALA A 20 22.813 6.120 37.200 1.00 38.21 N ATOM 285 CA ALA A 20 23.184 6.631 38.528 1.00 36.69 C ATOM 286 C ALA A 20 24.569 6.242 39.057 1.00 37.21 C ATOM 287 O ALA A 20 24.790 6.198 40.272 1.00 40.66 O ATOM 288 CB ALA A 20 22.098 6.266 39.549 1.00 36.28 C ATOM 289 HA ALA A 20 23.256 7.710 38.390 1.00 0.00 H ATOM 290 HB1 ALA A 20 21.150 6.710 39.244 1.00 0.00 H ATOM 291 HB2 ALA A 20 21.995 5.182 39.596 1.00 0.00 H ATOM 292 HB3 ALA A 20 22.380 6.648 40.530 1.00 0.00 H ATOM 293 H ALA A 20 21.881 5.670 37.103 1.00 0.00 H ATOM 294 N SER A 21 25.483 5.970 38.129 1.00 36.39 N ATOM 295 CA SER A 21 26.875 5.668 38.410 1.00 26.03 C ATOM 296 C SER A 21 27.435 6.684 39.379 1.00 25.58 C ATOM 297 O SER A 21 27.536 7.869 39.059 1.00 34.22 O ATOM 298 CB SER A 21 27.677 5.729 37.111 1.00 27.17 C ATOM 299 OG SER A 21 27.030 4.998 36.085 1.00 26.35 O ATOM 300 HA SER A 21 26.944 4.671 38.846 1.00 0.00 H ATOM 301 HB2 SER A 21 28.667 5.306 37.282 1.00 0.00 H ATOM 302 HB3 SER A 21 27.776 6.769 36.801 1.00 0.00 H ATOM 303 HG SER A 21 26.132 5.382 35.924 1.00 0.00 H ATOM 304 H SER A 21 25.179 5.974 37.134 1.00 0.00 H ATOM 305 N SER A 22 27.780 6.228 40.574 1.00 25.57 N ATOM 306 CA SER A 22 28.398 7.116 41.550 1.00 25.97 C ATOM 307 C SER A 22 29.788 7.524 41.070 1.00 26.62 C ATOM 308 O SER A 22 30.229 7.102 40.004 1.00 23.70 O ATOM 309 CB SER A 22 28.484 6.436 42.910 1.00 23.01 C ATOM 310 OG SER A 22 29.279 5.268 42.845 1.00 21.93 O ATOM 311 HA SER A 22 27.783 8.010 41.654 1.00 0.00 H ATOM 312 HB2 SER A 22 27.480 6.166 43.238 1.00 0.00 H ATOM 313 HB3 SER A 22 28.925 7.128 43.627 1.00 0.00 H ATOM 314 HG SER A 22 30.194 5.509 42.552 1.00 0.00 H ATOM 315 H SER A 22 27.609 5.231 40.817 1.00 0.00 H ATOM 316 N SER A 23 30.474 8.349 41.853 1.00 24.52 N ATOM 317 CA SER A 23 31.840 8.745 41.525 1.00 22.85 C ATOM 318 C SER A 23 32.813 7.570 41.633 1.00 20.13 C ATOM 319 O SER A 23 33.919 7.622 41.098 1.00 24.22 O ATOM 320 CB SER A 23 32.294 9.895 42.426 1.00 23.35 C ATOM 321 OG SER A 23 32.054 9.572 43.785 1.00 19.04 O ATOM 322 HA SER A 23 31.843 9.082 40.489 1.00 0.00 H ATOM 323 HB2 SER A 23 31.740 10.797 42.166 1.00 0.00 H ATOM 324 HB3 SER A 23 33.360 10.069 42.279 1.00 0.00 H ATOM 325 HG SER A 23 32.351 10.322 44.359 1.00 0.00 H ATOM 326 H SER A 23 30.029 8.720 42.717 1.00 0.00 H ATOM 327 N ASN A 24 32.409 6.504 42.314 1.00 24.09 N ATOM 328 CA ASN A 24 33.270 5.328 42.413 1.00 25.47 C ATOM 329 C ASN A 24 32.871 4.188 41.476 1.00 18.00 C ATOM 330 O ASN A 24 33.471 3.125 41.524 1.00 15.93 O ATOM 331 CB ASN A 24 33.378 4.822 43.861 1.00 29.49 C ATOM 332 CG ASN A 24 32.102 5.045 44.659 1.00 34.10 C ATOM 333 OD1 ASN A 24 31.059 5.367 44.094 1.00 33.81 O ATOM 334 ND2 ASN A 24 32.180 4.874 45.977 1.00 34.59 N ATOM 335 HA ASN A 24 34.252 5.668 42.084 1.00 0.00 H ATOM 336 HB2 ASN A 24 33.595 3.754 43.842 1.00 0.00 H ATOM 337 HB3 ASN A 24 34.195 5.349 44.355 1.00 0.00 H ATOM 338 HD22 ASN A 24 33.084 4.601 46.413 1.00 0.00 H ATOM 339 HD21 ASN A 24 31.337 5.013 46.570 1.00 0.00 H ATOM 340 H ASN A 24 31.478 6.506 42.778 1.00 0.00 H ATOM 341 N TYR A 25 31.868 4.429 40.634 1.00 17.09 N ATOM 342 CA TYR A 25 31.337 3.414 39.716 1.00 17.17 C ATOM 343 C TYR A 25 32.441 2.782 38.880 1.00 10.69 C ATOM 344 O TYR A 25 32.589 1.563 38.845 1.00 12.72 O ATOM 345 CB TYR A 25 30.290 4.042 38.802 1.00 20.24 C ATOM 346 CG TYR A 25 29.776 3.141 37.700 1.00 17.67 C ATOM 347 CD1 TYR A 25 28.673 2.322 37.904 1.00 17.84 C ATOM 348 CD2 TYR A 25 30.379 3.131 36.446 1.00 16.88 C ATOM 349 CE1 TYR A 25 28.189 1.503 36.895 1.00 16.83 C ATOM 350 CE2 TYR A 25 29.904 2.314 35.435 1.00 14.26 C ATOM 351 CZ TYR A 25 28.813 1.505 35.657 1.00 13.79 C ATOM 352 OH TYR A 25 28.343 0.689 34.642 1.00 15.74 O ATOM 353 HA TYR A 25 30.879 2.627 40.315 1.00 0.00 H ATOM 354 HB3 TYR A 25 30.731 4.924 38.339 1.00 0.00 H ATOM 355 HB2 TYR A 25 29.441 4.342 39.417 1.00 0.00 H ATOM 356 HD2 TYR A 25 31.237 3.776 36.257 1.00 0.00 H ATOM 357 HE2 TYR A 25 30.395 2.311 34.462 1.00 0.00 H ATOM 358 HE1 TYR A 25 27.325 0.863 37.074 1.00 0.00 H ATOM 359 HD1 TYR A 25 28.179 2.323 38.875 1.00 0.00 H ATOM 360 HH TYR A 25 27.560 0.178 34.967 1.00 0.00 H ATOM 361 H TYR A 25 31.442 5.378 40.626 1.00 0.00 H ATOM 362 N CYS A 26 33.229 3.617 38.221 1.00 11.67 N ATOM 363 CA CYS A 26 34.310 3.103 37.379 1.00 16.36 C ATOM 364 C CYS A 26 35.377 2.322 38.145 1.00 16.62 C ATOM 365 O CYS A 26 35.790 1.250 37.702 1.00 15.43 O ATOM 366 CB CYS A 26 34.935 4.215 36.556 1.00 9.17 C ATOM 367 SG CYS A 26 33.868 4.739 35.194 1.00 13.99 S ATOM 368 HA CYS A 26 33.843 2.383 36.707 1.00 0.00 H ATOM 369 HB2 CYS A 26 35.880 3.859 36.145 1.00 0.00 H ATOM 370 HB3 CYS A 26 35.121 5.070 37.205 1.00 0.00 H ATOM 371 H CYS A 26 33.079 4.643 38.302 1.00 0.00 H ATOM 372 N ASN A 27 35.818 2.848 39.287 1.00 12.94 N ATOM 373 CA ASN A 27 36.770 2.126 40.132 1.00 14.70 C ATOM 374 C ASN A 27 36.293 0.705 40.431 1.00 18.36 C ATOM 375 O ASN A 27 37.065 -0.254 40.367 1.00 17.12 O ATOM 376 CB ASN A 27 37.008 2.879 41.450 1.00 13.72 C ATOM 377 CG ASN A 27 37.745 4.185 41.253 1.00 17.92 C ATOM 378 OD1 ASN A 27 38.499 4.347 40.296 1.00 18.13 O ATOM 379 ND2 ASN A 27 37.533 5.130 42.167 1.00 20.17 N ATOM 380 HA ASN A 27 37.708 2.064 39.579 1.00 0.00 H ATOM 381 HB2 ASN A 27 36.043 3.089 41.911 1.00 0.00 H ATOM 382 HB3 ASN A 27 37.595 2.244 42.113 1.00 0.00 H ATOM 383 HD22 ASN A 27 36.886 4.950 42.961 1.00 0.00 H ATOM 384 HD21 ASN A 27 38.014 6.048 42.087 1.00 0.00 H ATOM 385 H ASN A 27 35.480 3.786 39.582 1.00 0.00 H ATOM 386 N GLN A 28 35.002 0.587 40.725 1.00 14.30 N ATOM 387 CA GLN A 28 34.393 -0.685 41.079 1.00 14.99 C ATOM 388 C GLN A 28 34.176 -1.577 39.867 1.00 17.34 C ATOM 389 O GLN A 28 34.555 -2.748 39.872 1.00 16.31 O ATOM 390 CB GLN A 28 33.049 -0.450 41.769 1.00 20.85 C ATOM 391 CG GLN A 28 33.147 0.336 43.069 1.00 27.34 C ATOM 392 CD GLN A 28 31.787 0.675 43.644 1.00 32.63 C ATOM 393 OE1 GLN A 28 30.756 0.306 43.081 1.00 38.33 O ATOM 394 NE2 GLN A 28 31.776 1.382 44.769 1.00 36.16 N ATOM 395 HA GLN A 28 35.083 -1.191 41.754 1.00 0.00 H ATOM 396 HB2 GLN A 28 32.404 0.100 41.084 1.00 0.00 H ATOM 397 HB3 GLN A 28 32.602 -1.420 41.988 1.00 0.00 H ATOM 398 HG2 GLN A 28 33.697 -0.260 43.798 1.00 0.00 H ATOM 399 HG3 GLN A 28 33.687 1.263 42.878 1.00 0.00 H ATOM 400 HE22 GLN A 28 32.672 1.672 45.210 1.00 0.00 H ATOM 401 HE21 GLN A 28 30.871 1.645 45.209 1.00 0.00 H ATOM 402 H GLN A 28 34.404 1.438 40.701 1.00 0.00 H ATOM 403 N MET A 29 33.555 -1.011 38.835 1.00 16.69 N ATOM 404 CA MET A 29 33.185 -1.763 37.632 1.00 14.58 C ATOM 405 C MET A 29 34.368 -2.225 36.789 1.00 12.85 C ATOM 406 O MET A 29 34.371 -3.346 36.289 1.00 15.24 O ATOM 407 CB MET A 29 32.213 -0.947 36.775 1.00 16.54 C ATOM 408 CG MET A 29 30.842 -0.791 37.400 1.00 16.06 C ATOM 409 SD MET A 29 29.897 -2.318 37.218 1.00 22.56 S ATOM 410 CE MET A 29 29.627 -2.301 35.441 1.00 17.30 C ATOM 411 HA MET A 29 32.703 -2.673 37.990 1.00 0.00 H ATOM 412 HB2 MET A 29 32.637 0.045 36.621 1.00 0.00 H ATOM 413 HB3 MET A 29 32.099 -1.445 35.812 1.00 0.00 H ATOM 414 HG2 MET A 29 30.311 0.023 36.906 1.00 0.00 H ATOM 415 HG3 MET A 29 30.953 -0.560 38.459 1.00 0.00 H ATOM 416 HE1 MET A 29 29.076 -1.401 35.167 1.00 0.00 H ATOM 417 HE2 MET A 29 30.589 -2.309 34.929 1.00 0.00 H ATOM 418 HE3 MET A 29 29.053 -3.182 35.154 1.00 0.00 H ATOM 419 H MET A 29 33.324 0.002 38.884 1.00 0.00 H ATOM 420 N MET A 30 35.363 -1.362 36.600 1.00 15.17 N ATOM 421 CA MET A 30 36.562 -1.766 35.873 1.00 16.95 C ATOM 422 C MET A 30 37.241 -2.954 36.559 1.00 16.40 C ATOM 423 O MET A 30 37.809 -3.818 35.900 1.00 14.30 O ATOM 424 CB MET A 30 37.548 -0.600 35.728 1.00 15.96 C ATOM 425 CG MET A 30 37.006 0.575 34.932 1.00 17.16 C ATOM 426 SD MET A 30 36.708 0.142 33.205 1.00 11.20 S ATOM 427 CE MET A 30 38.382 -0.094 32.617 1.00 13.62 C ATOM 428 HA MET A 30 36.252 -2.072 34.874 1.00 0.00 H ATOM 429 HB2 MET A 30 37.810 -0.247 36.725 1.00 0.00 H ATOM 430 HB3 MET A 30 38.444 -0.969 35.228 1.00 0.00 H ATOM 431 HG2 MET A 30 37.729 1.390 34.971 1.00 0.00 H ATOM 432 HG3 MET A 30 36.068 0.901 35.380 1.00 0.00 H ATOM 433 HE1 MET A 30 38.944 0.832 32.743 1.00 0.00 H ATOM 434 HE2 MET A 30 38.858 -0.890 33.189 1.00 0.00 H ATOM 435 HE3 MET A 30 38.360 -0.367 31.562 1.00 0.00 H ATOM 436 H MET A 30 35.286 -0.394 36.973 1.00 0.00 H ATOM 437 N LYS A 31 37.175 -3.002 37.886 1.00 19.06 N ATOM 438 CA LYS A 31 37.754 -4.125 38.618 1.00 17.95 C ATOM 439 C LYS A 31 36.897 -5.382 38.466 1.00 19.97 C ATOM 440 O LYS A 31 37.393 -6.437 38.066 1.00 18.22 O ATOM 441 CB LYS A 31 37.935 -3.787 40.102 1.00 19.77 C ATOM 442 CG LYS A 31 38.552 -4.937 40.904 1.00 25.59 C ATOM 443 CD LYS A 31 38.973 -4.510 42.304 1.00 32.67 C ATOM 444 CE LYS A 31 39.904 -5.543 42.933 1.00 42.84 C ATOM 445 NZ LYS A 31 40.608 -5.003 44.135 1.00 46.61 N ATOM 446 HA LYS A 31 38.736 -4.321 38.188 1.00 0.00 H ATOM 447 HB2 LYS A 31 38.586 -2.917 40.184 1.00 0.00 H ATOM 448 HB3 LYS A 31 36.959 -3.550 40.527 1.00 0.00 H ATOM 449 HG2 LYS A 31 37.818 -5.738 40.988 1.00 0.00 H ATOM 450 HG3 LYS A 31 39.429 -5.304 40.371 1.00 0.00 H ATOM 451 HD2 LYS A 31 39.490 -3.552 42.245 1.00 0.00 H ATOM 452 HD3 LYS A 31 38.085 -4.404 42.927 1.00 0.00 H ATOM 453 HE2 LYS A 31 40.647 -5.843 42.195 1.00 0.00 H ATOM 454 HE3 LYS A 31 39.317 -6.412 43.230 1.00 0.00 H ATOM 455 HZ1 LYS A 31 41.177 -4.177 43.860 1.00 0.00 H ATOM 456 HZ2 LYS A 31 39.906 -4.720 44.848 1.00 0.00 H ATOM 457 HZ3 LYS A 31 41.229 -5.737 44.530 1.00 0.00 H ATOM 458 H LYS A 31 36.707 -2.233 38.407 1.00 0.00 H ATOM 459 N SER A 32 35.606 -5.252 38.765 1.00 19.01 N ATOM 460 CA SER A 32 34.696 -6.390 38.771 1.00 17.93 C ATOM 461 C SER A 32 34.510 -7.031 37.392 1.00 20.12 C ATOM 462 O SER A 32 34.312 -8.243 37.289 1.00 17.21 O ATOM 463 CB SER A 32 33.337 -6.001 39.363 1.00 20.28 C ATOM 464 OG SER A 32 32.721 -4.966 38.615 1.00 22.90 O ATOM 465 HA SER A 32 35.165 -7.143 39.404 1.00 0.00 H ATOM 466 HB2 SER A 32 33.482 -5.660 40.388 1.00 0.00 H ATOM 467 HB3 SER A 32 32.686 -6.875 39.361 1.00 0.00 H ATOM 468 HG SER A 32 33.305 -4.166 38.617 1.00 0.00 H ATOM 469 H SER A 32 35.236 -4.309 39.002 1.00 0.00 H ATOM 470 N ARG A 33 34.570 -6.225 36.337 1.00 17.02 N ATOM 471 CA ARG A 33 34.457 -6.764 34.980 1.00 16.36 C ATOM 472 C ARG A 33 35.809 -7.247 34.452 1.00 20.61 C ATOM 473 O ARG A 33 35.959 -7.566 33.265 1.00 13.94 O ATOM 474 CB ARG A 33 33.837 -5.738 34.029 1.00 11.28 C ATOM 475 CG ARG A 33 32.388 -5.379 34.356 1.00 10.44 C ATOM 476 CD ARG A 33 31.458 -6.596 34.357 1.00 9.25 C ATOM 477 NE ARG A 33 30.076 -6.188 34.616 1.00 10.56 N ATOM 478 CZ ARG A 33 29.253 -5.742 33.670 1.00 11.64 C ATOM 479 NH1 ARG A 33 29.684 -5.673 32.419 1.00 10.94 N ATOM 480 NH2 ARG A 33 28.004 -5.382 33.964 1.00 13.87 N ATOM 481 HA ARG A 33 33.793 -7.627 35.028 1.00 0.00 H ATOM 482 HB2 ARG A 33 34.434 -4.827 34.072 1.00 0.00 H ATOM 483 HB3 ARG A 33 33.869 -6.145 33.018 1.00 0.00 H ATOM 484 HG2 ARG A 33 32.358 -4.917 35.343 1.00 0.00 H ATOM 485 HG3 ARG A 33 32.029 -4.667 33.612 1.00 0.00 H ATOM 486 HD2 ARG A 33 31.778 -7.291 35.133 1.00 0.00 H ATOM 487 HD3 ARG A 33 31.511 -7.088 33.386 1.00 0.00 H ATOM 488 HE ARG A 33 29.719 -6.250 35.591 1.00 0.00 H ATOM 489 HH12 ARG A 33 29.052 -5.326 31.670 1.00 0.00 H ATOM 490 HH11 ARG A 33 30.655 -5.965 32.187 1.00 0.00 H ATOM 491 HH22 ARG A 33 27.373 -5.035 33.214 1.00 0.00 H ATOM 492 HH21 ARG A 33 27.661 -5.448 34.944 1.00 0.00 H ATOM 493 H ARG A 33 34.698 -5.202 36.476 1.00 0.00 H ATOM 494 N ASN A 34 36.786 -7.295 35.352 1.00 18.12 N ATOM 495 CA ASN A 34 38.125 -7.792 35.049 1.00 15.93 C ATOM 496 C ASN A 34 38.853 -7.040 33.948 1.00 17.34 C ATOM 497 O ASN A 34 39.442 -7.652 33.059 1.00 21.84 O ATOM 498 CB ASN A 34 38.075 -9.292 34.743 1.00 24.61 C ATOM 499 CG ASN A 34 37.595 -10.107 35.932 1.00 32.59 C ATOM 500 OD1 ASN A 34 36.441 -10.542 35.981 1.00 39.21 O ATOM 501 ND2 ASN A 34 38.477 -10.301 36.908 1.00 35.82 N ATOM 502 HA ASN A 34 38.715 -7.612 35.948 1.00 0.00 H ATOM 503 HB2 ASN A 34 37.395 -9.457 33.907 1.00 0.00 H ATOM 504 HB3 ASN A 34 39.075 -9.628 34.468 1.00 0.00 H ATOM 505 HD22 ASN A 34 39.439 -9.916 36.823 1.00 0.00 H ATOM 506 HD21 ASN A 34 38.205 -10.838 37.756 1.00 0.00 H ATOM 507 H ASN A 34 36.587 -6.963 36.317 1.00 0.00 H ATOM 508 N LEU A 35 38.826 -5.713 34.015 1.00 17.30 N ATOM 509 CA LEU A 35 39.524 -4.887 33.038 1.00 19.58 C ATOM 510 C LEU A 35 40.787 -4.276 33.651 1.00 20.64 C ATOM 511 O LEU A 35 41.474 -3.483 33.016 1.00 21.72 O ATOM 512 CB LEU A 35 38.590 -3.800 32.484 1.00 18.13 C ATOM 513 CG LEU A 35 37.231 -4.329 32.005 1.00 18.30 C ATOM 514 CD1 LEU A 35 36.342 -3.206 31.479 1.00 14.28 C ATOM 515 CD2 LEU A 35 37.428 -5.399 30.948 1.00 22.90 C ATOM 516 HA LEU A 35 39.831 -5.520 32.205 1.00 0.00 H ATOM 517 HB2 LEU A 35 38.414 -3.065 33.270 1.00 0.00 H ATOM 518 HB3 LEU A 35 39.086 -3.318 31.642 1.00 0.00 H ATOM 519 HG LEU A 35 36.723 -4.770 32.862 1.00 0.00 H ATOM 520 HD21 LEU A 35 37.966 -4.975 30.100 1.00 0.00 H ATOM 521 HD22 LEU A 35 38.004 -6.223 31.370 1.00 0.00 H ATOM 522 HD23 LEU A 35 36.456 -5.765 30.618 1.00 0.00 H ATOM 523 HD11 LEU A 35 36.168 -2.480 32.273 1.00 0.00 H ATOM 524 HD12 LEU A 35 36.836 -2.717 30.639 1.00 0.00 H ATOM 525 HD13 LEU A 35 35.390 -3.622 31.150 1.00 0.00 H ATOM 526 H LEU A 35 38.295 -5.254 34.782 1.00 0.00 H ATOM 527 N THR A 36 41.083 -4.657 34.891 1.00 22.96 N ATOM 528 CA THR A 36 42.275 -4.180 35.593 1.00 20.97 C ATOM 529 C THR A 36 43.165 -5.349 35.999 1.00 27.27 C ATOM 530 O THR A 36 43.902 -5.269 36.985 1.00 27.24 O ATOM 531 CB THR A 36 41.921 -3.379 36.862 1.00 21.66 C ATOM 532 OG1 THR A 36 41.275 -4.233 37.816 1.00 22.73 O ATOM 533 CG2 THR A 36 41.000 -2.208 36.523 1.00 29.44 C ATOM 534 HA THR A 36 42.800 -3.526 34.897 1.00 0.00 H ATOM 535 HB THR A 36 42.845 -2.988 37.288 1.00 0.00 H ATOM 536 HG1 THR A 36 41.884 -4.976 38.058 1.00 0.00 H ATOM 537 HG23 THR A 36 41.491 -1.559 35.798 1.00 0.00 H ATOM 538 HG21 THR A 36 40.070 -2.589 36.100 1.00 0.00 H ATOM 539 HG22 THR A 36 40.784 -1.643 37.430 1.00 0.00 H ATOM 540 H THR A 36 40.444 -5.317 35.379 1.00 0.00 H ATOM 541 N LYS A 37 43.096 -6.433 35.235 1.00 29.70 N ATOM 542 CA LYS A 37 43.763 -7.676 35.620 1.00 36.17 C ATOM 543 C LYS A 37 45.249 -7.682 35.263 1.00 32.93 C ATOM 544 O LYS A 37 46.099 -7.929 36.119 1.00 34.34 O ATOM 545 CB LYS A 37 43.062 -8.881 34.989 1.00 36.09 C ATOM 546 CG LYS A 37 43.031 -10.102 35.887 1.00 41.43 C ATOM 547 CD LYS A 37 42.986 -11.385 35.077 1.00 47.58 C ATOM 548 CE LYS A 37 43.155 -12.600 35.973 1.00 52.07 C ATOM 549 NZ LYS A 37 43.295 -13.855 35.181 1.00 54.82 N ATOM 550 HA LYS A 37 43.694 -7.746 36.706 1.00 0.00 H ATOM 551 HB2 LYS A 37 42.036 -8.599 34.754 1.00 0.00 H ATOM 552 HB3 LYS A 37 43.585 -9.142 34.069 1.00 0.00 H ATOM 553 HG2 LYS A 37 43.925 -10.107 36.510 1.00 0.00 H ATOM 554 HG3 LYS A 37 42.147 -10.053 36.523 1.00 0.00 H ATOM 555 HD2 LYS A 37 42.026 -11.450 34.565 1.00 0.00 H ATOM 556 HD3 LYS A 37 43.789 -11.370 34.340 1.00 0.00 H ATOM 557 HE2 LYS A 37 42.282 -12.686 36.620 1.00 0.00 H ATOM 558 HE3 LYS A 37 44.047 -12.467 36.585 1.00 0.00 H ATOM 559 HZ1 LYS A 37 42.444 -13.993 34.599 1.00 0.00 H ATOM 560 HZ2 LYS A 37 44.130 -13.783 34.565 1.00 0.00 H ATOM 561 HZ3 LYS A 37 43.408 -14.661 35.828 1.00 0.00 H ATOM 562 H LYS A 37 42.557 -6.397 34.346 1.00 0.00 H ATOM 563 N ASP A 38 45.555 -7.419 33.997 1.00 29.42 N ATOM 564 CA ASP A 38 46.936 -7.410 33.531 1.00 35.35 C ATOM 565 C ASP A 38 47.491 -5.992 33.512 1.00 39.04 C ATOM 566 O ASP A 38 48.706 -5.784 33.564 1.00 33.13 O ATOM 567 CB ASP A 38 47.031 -8.010 32.128 1.00 32.70 C ATOM 568 CG ASP A 38 46.555 -9.447 32.073 1.00 44.23 C ATOM 569 OD1 ASP A 38 46.748 -10.185 33.067 1.00 42.43 O ATOM 570 OD2 ASP A 38 45.989 -9.836 31.028 1.00 46.72 O ATOM 571 HA ASP A 38 47.526 -8.013 34.222 1.00 0.00 H ATOM 572 HB2 ASP A 38 46.419 -7.414 31.451 1.00 0.00 H ATOM 573 HB3 ASP A 38 48.071 -7.974 31.803 1.00 0.00 H ATOM 574 H ASP A 38 44.791 -7.215 33.322 1.00 0.00 H ATOM 575 N ARG A 39 46.584 -5.022 33.428 1.00 33.32 N ATOM 576 CA ARG A 39 46.945 -3.612 33.372 1.00 24.75 C ATOM 577 C ARG A 39 45.693 -2.792 33.651 1.00 25.45 C ATOM 578 O ARG A 39 44.584 -3.318 33.613 1.00 29.02 O ATOM 579 CB ARG A 39 47.489 -3.247 31.989 1.00 25.99 C ATOM 580 CG ARG A 39 46.433 -2.749 31.003 1.00 29.76 C ATOM 581 CD ARG A 39 46.834 -3.030 29.570 1.00 34.77 C ATOM 582 NE ARG A 39 46.891 -1.827 28.747 1.00 36.03 N ATOM 583 CZ ARG A 39 45.994 -1.510 27.816 1.00 36.54 C ATOM 584 NH1 ARG A 39 46.138 -0.397 27.109 1.00 37.34 N ATOM 585 NH2 ARG A 39 44.956 -2.303 27.586 1.00 33.89 N ATOM 586 HA ARG A 39 47.719 -3.405 34.111 1.00 0.00 H ATOM 587 HB2 ARG A 39 48.236 -2.463 32.113 1.00 0.00 H ATOM 588 HB3 ARG A 39 47.961 -4.133 31.564 1.00 0.00 H ATOM 589 HG2 ARG A 39 45.488 -3.251 31.212 1.00 0.00 H ATOM 590 HG3 ARG A 39 46.307 -1.674 31.131 1.00 0.00 H ATOM 591 HD2 ARG A 39 46.107 -3.715 29.134 1.00 0.00 H ATOM 592 HD3 ARG A 39 47.818 -3.498 29.570 1.00 0.00 H ATOM 593 HE ARG A 39 47.686 -1.173 28.898 1.00 0.00 H ATOM 594 HH12 ARG A 39 45.438 -0.149 26.381 1.00 0.00 H ATOM 595 HH11 ARG A 39 46.951 0.227 27.282 1.00 0.00 H ATOM 596 HH22 ARG A 39 44.259 -2.049 26.857 1.00 0.00 H ATOM 597 HH21 ARG A 39 44.839 -3.179 28.135 1.00 0.00 H ATOM 598 H ARG A 39 45.577 -5.281 33.401 1.00 0.00 H ATOM 599 N CYS A 40 45.862 -1.508 33.936 1.00 23.71 N ATOM 600 CA CYS A 40 44.708 -0.621 33.989 1.00 20.34 C ATOM 601 C CYS A 40 44.290 -0.314 32.553 1.00 18.89 C ATOM 602 O CYS A 40 44.978 0.432 31.853 1.00 21.72 O ATOM 603 CB CYS A 40 45.047 0.674 34.721 1.00 22.04 C ATOM 604 SG CYS A 40 45.746 0.475 36.384 1.00 21.33 S ATOM 605 HA CYS A 40 43.897 -1.104 34.534 1.00 0.00 H ATOM 606 HB2 CYS A 40 44.132 1.259 34.810 1.00 0.00 H ATOM 607 HB3 CYS A 40 45.770 1.222 34.116 1.00 0.00 H ATOM 608 H CYS A 40 46.815 -1.136 34.121 1.00 0.00 H ATOM 609 N LYS A 41 43.197 -0.918 32.090 1.00 19.67 N ATOM 610 CA LYS A 41 42.662 -0.542 30.782 1.00 18.81 C ATOM 611 C LYS A 41 42.402 0.959 30.838 1.00 19.16 C ATOM 612 O LYS A 41 41.668 1.425 31.704 1.00 14.58 O ATOM 613 CB LYS A 41 41.369 -1.301 30.469 1.00 19.62 C ATOM 614 CG LYS A 41 40.893 -1.102 29.033 1.00 17.69 C ATOM 615 CD LYS A 41 39.589 -1.839 28.749 1.00 14.85 C ATOM 616 CE LYS A 41 39.195 -1.694 27.273 1.00 15.96 C ATOM 617 NZ LYS A 41 37.942 -2.441 26.936 1.00 18.85 N ATOM 618 HA LYS A 41 43.368 -0.794 29.991 1.00 0.00 H ATOM 619 HB2 LYS A 41 41.542 -2.365 30.634 1.00 0.00 H ATOM 620 HB3 LYS A 41 40.589 -0.952 31.145 1.00 0.00 H ATOM 621 HG2 LYS A 41 40.739 -0.037 28.859 1.00 0.00 H ATOM 622 HG3 LYS A 41 41.661 -1.473 28.354 1.00 0.00 H ATOM 623 HD2 LYS A 41 39.716 -2.896 28.984 1.00 0.00 H ATOM 624 HD3 LYS A 41 38.799 -1.422 29.373 1.00 0.00 H ATOM 625 HE2 LYS A 41 40.007 -2.077 26.655 1.00 0.00 H ATOM 626 HE3 LYS A 41 39.041 -0.637 27.054 1.00 0.00 H ATOM 627 HZ1 LYS A 41 38.080 -3.453 27.133 1.00 0.00 H ATOM 628 HZ2 LYS A 41 37.157 -2.078 27.514 1.00 0.00 H ATOM 629 HZ3 LYS A 41 37.722 -2.309 25.928 1.00 0.00 H ATOM 630 H LYS A 41 42.727 -1.653 32.656 1.00 0.00 H ATOM 631 N PRO A 42 43.032 1.724 29.940 1.00 21.86 N ATOM 632 CA PRO A 42 43.020 3.187 30.045 1.00 19.55 C ATOM 633 C PRO A 42 41.655 3.857 29.799 1.00 17.25 C ATOM 634 O PRO A 42 41.363 4.844 30.475 1.00 20.13 O ATOM 635 CB PRO A 42 44.055 3.620 29.003 1.00 18.85 C ATOM 636 CG PRO A 42 44.130 2.495 28.048 1.00 23.28 C ATOM 637 CD PRO A 42 43.888 1.252 28.840 1.00 21.33 C ATOM 638 HA PRO A 42 43.246 3.500 31.064 1.00 0.00 H ATOM 639 HD3 PRO A 42 43.377 0.498 28.241 1.00 0.00 H ATOM 640 HD2 PRO A 42 44.823 0.840 29.219 1.00 0.00 H ATOM 641 HG3 PRO A 42 45.115 2.460 27.583 1.00 0.00 H ATOM 642 HG2 PRO A 42 43.369 2.604 27.276 1.00 0.00 H ATOM 643 HB2 PRO A 42 43.733 4.531 28.498 1.00 0.00 H ATOM 644 HB3 PRO A 42 45.024 3.790 29.473 1.00 0.00 H ATOM 645 N VAL A 43 40.848 3.340 28.872 1.00 14.60 N ATOM 646 CA VAL A 43 39.507 3.885 28.596 1.00 14.89 C ATOM 647 C VAL A 43 38.503 2.762 28.332 1.00 16.07 C ATOM 648 O VAL A 43 38.815 1.798 27.629 1.00 16.77 O ATOM 649 CB VAL A 43 39.508 4.838 27.367 1.00 20.80 C ATOM 650 CG1 VAL A 43 38.090 5.322 27.045 1.00 25.09 C ATOM 651 CG2 VAL A 43 40.431 6.036 27.601 1.00 19.75 C ATOM 652 HA VAL A 43 39.216 4.447 29.483 1.00 0.00 H ATOM 653 HB VAL A 43 39.884 4.273 26.514 1.00 0.00 H ATOM 654 HG11 VAL A 43 37.456 4.464 26.822 1.00 0.00 H ATOM 655 HG12 VAL A 43 37.687 5.859 27.904 1.00 0.00 H ATOM 656 HG13 VAL A 43 38.122 5.986 26.182 1.00 0.00 H ATOM 657 HG21 VAL A 43 40.089 6.592 28.474 1.00 0.00 H ATOM 658 HG22 VAL A 43 41.448 5.682 27.770 1.00 0.00 H ATOM 659 HG23 VAL A 43 40.411 6.685 26.725 1.00 0.00 H ATOM 660 H VAL A 43 41.178 2.521 28.323 1.00 0.00 H ATOM 661 N ASN A 44 37.306 2.882 28.902 1.00 14.38 N ATOM 662 CA ASN A 44 36.247 1.894 28.686 1.00 12.81 C ATOM 663 C ASN A 44 34.848 2.448 28.958 1.00 11.12 C ATOM 664 O ASN A 44 34.633 3.140 29.945 1.00 16.16 O ATOM 665 CB ASN A 44 36.498 0.655 29.544 1.00 10.07 C ATOM 666 CG ASN A 44 35.562 -0.479 29.208 1.00 13.01 C ATOM 667 OD1 ASN A 44 35.745 -1.161 28.200 1.00 11.65 O ATOM 668 ND2 ASN A 44 34.561 -0.701 30.058 1.00 9.83 N ATOM 669 HA ASN A 44 36.280 1.625 27.630 1.00 0.00 H ATOM 670 HB2 ASN A 44 37.523 0.321 29.385 1.00 0.00 H ATOM 671 HB3 ASN A 44 36.362 0.922 30.592 1.00 0.00 H ATOM 672 HD22 ASN A 44 34.448 -0.097 30.897 1.00 0.00 H ATOM 673 HD21 ASN A 44 33.893 -1.478 29.883 1.00 0.00 H ATOM 674 H ASN A 44 37.118 3.699 29.517 1.00 0.00 H ATOM 675 N THR A 45 33.895 2.125 28.088 1.00 10.17 N ATOM 676 CA THR A 45 32.543 2.665 28.188 1.00 9.18 C ATOM 677 C THR A 45 31.514 1.588 28.513 1.00 8.54 C ATOM 678 O THR A 45 31.510 0.517 27.900 1.00 7.13 O ATOM 679 CB THR A 45 32.138 3.352 26.873 1.00 8.34 C ATOM 680 OG1 THR A 45 33.049 4.425 26.601 1.00 11.60 O ATOM 681 CG2 THR A 45 30.705 3.885 26.955 1.00 11.45 C ATOM 682 HA THR A 45 32.557 3.388 29.004 1.00 0.00 H ATOM 683 HB THR A 45 32.180 2.622 26.065 1.00 0.00 H ATOM 684 HG1 THR A 45 33.016 5.080 27.342 1.00 0.00 H ATOM 685 HG23 THR A 45 30.023 3.060 27.162 1.00 0.00 H ATOM 686 HG21 THR A 45 30.638 4.623 27.755 1.00 0.00 H ATOM 687 HG22 THR A 45 30.437 4.350 26.006 1.00 0.00 H ATOM 688 H THR A 45 34.120 1.468 27.314 1.00 0.00 H ATOM 689 N PHE A 46 30.643 1.872 29.479 1.00 7.32 N ATOM 690 CA PHE A 46 29.565 0.958 29.824 1.00 5.99 C ATOM 691 C PHE A 46 28.253 1.509 29.306 1.00 7.76 C ATOM 692 O PHE A 46 27.982 2.695 29.442 1.00 10.10 O ATOM 693 CB PHE A 46 29.505 0.739 31.340 1.00 7.71 C ATOM 694 CG PHE A 46 30.669 -0.046 31.877 1.00 8.80 C ATOM 695 CD1 PHE A 46 30.669 -1.425 31.815 1.00 7.95 C ATOM 696 CD2 PHE A 46 31.774 0.597 32.426 1.00 10.46 C ATOM 697 CE1 PHE A 46 31.736 -2.163 32.296 1.00 10.44 C ATOM 698 CE2 PHE A 46 32.846 -0.138 32.916 1.00 9.62 C ATOM 699 CZ PHE A 46 32.823 -1.520 32.854 1.00 9.27 C ATOM 700 HA PHE A 46 29.752 -0.009 29.357 1.00 0.00 H ATOM 701 HB2 PHE A 46 29.489 1.713 31.830 1.00 0.00 H ATOM 702 HB3 PHE A 46 28.587 0.201 31.575 1.00 0.00 H ATOM 703 HD2 PHE A 46 31.799 1.686 32.472 1.00 0.00 H ATOM 704 HE2 PHE A 46 33.705 0.374 33.349 1.00 0.00 H ATOM 705 HZ PHE A 46 33.660 -2.099 33.244 1.00 0.00 H ATOM 706 HE1 PHE A 46 31.718 -3.251 32.234 1.00 0.00 H ATOM 707 HD1 PHE A 46 29.814 -1.941 31.380 1.00 0.00 H ATOM 708 H PHE A 46 30.735 2.768 29.999 1.00 0.00 H ATOM 709 N VAL A 47 27.456 0.655 28.674 1.00 9.40 N ATOM 710 CA VAL A 47 26.176 1.087 28.119 1.00 10.98 C ATOM 711 C VAL A 47 25.026 0.644 29.020 1.00 11.15 C ATOM 712 O VAL A 47 24.874 -0.544 29.311 1.00 10.60 O ATOM 713 CB VAL A 47 25.968 0.563 26.677 1.00 10.32 C ATOM 714 CG1 VAL A 47 24.644 1.060 26.094 1.00 8.82 C ATOM 715 CG2 VAL A 47 27.129 1.011 25.775 1.00 8.16 C ATOM 716 HA VAL A 47 26.189 2.176 28.073 1.00 0.00 H ATOM 717 HB VAL A 47 25.940 -0.526 26.719 1.00 0.00 H ATOM 718 HG11 VAL A 47 23.820 0.708 26.715 1.00 0.00 H ATOM 719 HG12 VAL A 47 24.644 2.150 26.072 1.00 0.00 H ATOM 720 HG13 VAL A 47 24.527 0.675 25.081 1.00 0.00 H ATOM 721 HG21 VAL A 47 27.173 2.100 25.756 1.00 0.00 H ATOM 722 HG22 VAL A 47 28.066 0.615 26.167 1.00 0.00 H ATOM 723 HG23 VAL A 47 26.968 0.635 24.765 1.00 0.00 H ATOM 724 H VAL A 47 27.748 -0.338 28.573 1.00 0.00 H ATOM 725 N HIS A 48 24.218 1.611 29.461 1.00 11.89 N ATOM 726 CA HIS A 48 23.094 1.317 30.351 1.00 14.99 C ATOM 727 C HIS A 48 21.793 1.296 29.567 1.00 13.52 C ATOM 728 O HIS A 48 20.906 2.119 29.797 1.00 17.55 O ATOM 729 CB HIS A 48 22.984 2.363 31.461 1.00 12.85 C ATOM 730 CG HIS A 48 24.282 2.684 32.135 1.00 13.93 C ATOM 731 ND1 HIS A 48 24.905 1.821 33.019 1.00 19.90 N ATOM 732 CD2 HIS A 48 25.062 3.789 32.092 1.00 14.01 C ATOM 733 CE1 HIS A 48 26.014 2.371 33.463 1.00 18.54 C ATOM 734 NE2 HIS A 48 26.133 3.576 32.920 1.00 18.90 N ATOM 735 HA HIS A 48 23.274 0.339 30.798 1.00 0.00 H ATOM 736 HB2 HIS A 48 22.588 3.281 31.027 1.00 0.00 H ATOM 737 HB3 HIS A 48 22.291 1.990 32.215 1.00 0.00 H ATOM 738 HD2 HIS A 48 24.872 4.687 31.504 1.00 0.00 H ATOM 739 HE1 HIS A 48 26.717 1.914 34.160 1.00 0.00 H ATOM 740 H HIS A 48 24.391 2.593 29.166 1.00 0.00 H ATOM 741 N GLU A 49 21.707 0.389 28.602 1.00 12.67 N ATOM 742 CA GLU A 49 20.476 0.139 27.865 1.00 10.56 C ATOM 743 C GLU A 49 20.314 -1.370 27.823 1.00 9.18 C ATOM 744 O GLU A 49 21.241 -2.105 28.189 1.00 12.15 O ATOM 745 CB GLU A 49 20.555 0.696 26.423 1.00 13.05 C ATOM 746 CG GLU A 49 20.807 2.203 26.314 1.00 11.25 C ATOM 747 CD GLU A 49 19.633 3.060 26.783 1.00 11.71 C ATOM 748 OE1 GLU A 49 18.497 2.546 26.884 1.00 16.23 O ATOM 749 OE2 GLU A 49 19.863 4.258 27.049 1.00 13.12 O ATOM 750 HA GLU A 49 19.633 0.633 28.349 1.00 0.00 H ATOM 751 HB2 GLU A 49 21.365 0.181 25.907 1.00 0.00 H ATOM 752 HB3 GLU A 49 19.611 0.476 25.925 1.00 0.00 H ATOM 753 HG2 GLU A 49 21.678 2.451 26.921 1.00 0.00 H ATOM 754 HG3 GLU A 49 21.013 2.443 25.271 1.00 0.00 H ATOM 755 H GLU A 49 22.553 -0.166 28.362 1.00 0.00 H ATOM 756 N SER A 50 19.157 -1.846 27.375 1.00 11.31 N ATOM 757 CA SER A 50 18.919 -3.276 27.309 1.00 13.27 C ATOM 758 C SER A 50 19.852 -3.896 26.282 1.00 12.37 C ATOM 759 O SER A 50 20.272 -3.227 25.338 1.00 11.23 O ATOM 760 CB SER A 50 17.464 -3.562 26.945 1.00 14.62 C ATOM 761 OG SER A 50 17.236 -3.351 25.560 1.00 10.32 O ATOM 762 HA SER A 50 19.116 -3.715 28.287 1.00 0.00 H ATOM 763 HB2 SER A 50 16.816 -2.899 27.518 1.00 0.00 H ATOM 764 HB3 SER A 50 17.232 -4.598 27.191 1.00 0.00 H ATOM 765 HG SER A 50 17.820 -3.954 25.035 1.00 0.00 H ATOM 766 H SER A 50 18.414 -1.186 27.068 1.00 0.00 H ATOM 767 N LEU A 51 20.196 -5.165 26.472 1.00 11.05 N ATOM 768 CA LEU A 51 21.034 -5.856 25.499 1.00 13.37 C ATOM 769 C LEU A 51 20.390 -5.876 24.118 1.00 13.13 C ATOM 770 O LEU A 51 21.086 -5.800 23.098 1.00 9.88 O ATOM 771 CB LEU A 51 21.340 -7.288 25.951 1.00 13.69 C ATOM 772 CG LEU A 51 22.250 -8.092 25.022 1.00 14.27 C ATOM 773 CD1 LEU A 51 23.672 -7.513 24.981 1.00 13.19 C ATOM 774 CD2 LEU A 51 22.277 -9.566 25.428 1.00 17.80 C ATOM 775 HA LEU A 51 21.969 -5.300 25.433 1.00 0.00 H ATOM 776 HB2 LEU A 51 21.819 -7.237 26.929 1.00 0.00 H ATOM 777 HB3 LEU A 51 20.394 -7.822 26.039 1.00 0.00 H ATOM 778 HG LEU A 51 21.836 -8.019 24.016 1.00 0.00 H ATOM 779 HD21 LEU A 51 22.651 -9.654 26.448 1.00 0.00 H ATOM 780 HD22 LEU A 51 21.268 -9.975 25.373 1.00 0.00 H ATOM 781 HD23 LEU A 51 22.931 -10.116 24.752 1.00 0.00 H ATOM 782 HD11 LEU A 51 23.634 -6.485 24.621 1.00 0.00 H ATOM 783 HD12 LEU A 51 24.100 -7.532 25.983 1.00 0.00 H ATOM 784 HD13 LEU A 51 24.288 -8.112 24.310 1.00 0.00 H ATOM 785 H LEU A 51 19.866 -5.669 27.320 1.00 0.00 H ATOM 786 N ALA A 52 19.065 -5.976 24.082 1.00 15.16 N ATOM 787 CA ALA A 52 18.356 -5.996 22.808 1.00 11.14 C ATOM 788 C ALA A 52 18.548 -4.679 22.067 1.00 9.46 C ATOM 789 O ALA A 52 18.781 -4.676 20.846 1.00 13.63 O ATOM 790 CB ALA A 52 16.871 -6.274 23.029 1.00 19.44 C ATOM 791 HA ALA A 52 18.771 -6.797 22.196 1.00 0.00 H ATOM 792 HB1 ALA A 52 16.752 -7.241 23.517 1.00 0.00 H ATOM 793 HB2 ALA A 52 16.446 -5.493 23.660 1.00 0.00 H ATOM 794 HB3 ALA A 52 16.358 -6.285 22.067 1.00 0.00 H ATOM 795 H ALA A 52 18.529 -6.041 24.971 1.00 0.00 H ATOM 796 N ASP A 53 18.452 -3.567 22.799 1.00 9.18 N ATOM 797 CA ASP A 53 18.584 -2.234 22.201 1.00 11.79 C ATOM 798 C ASP A 53 20.000 -2.028 21.649 1.00 13.52 C ATOM 799 O ASP A 53 20.186 -1.442 20.572 1.00 10.21 O ATOM 800 CB ASP A 53 18.252 -1.121 23.212 1.00 7.85 C ATOM 801 CG ASP A 53 16.751 -0.902 23.394 1.00 13.63 C ATOM 802 OD1 ASP A 53 15.944 -1.483 22.639 1.00 15.24 O ATOM 803 OD2 ASP A 53 16.390 -0.108 24.280 1.00 12.93 O ATOM 804 HA ASP A 53 17.866 -2.174 21.383 1.00 0.00 H ATOM 805 HB2 ASP A 53 18.683 -1.389 24.177 1.00 0.00 H ATOM 806 HB3 ASP A 53 18.698 -0.190 22.862 1.00 0.00 H ATOM 807 H ASP A 53 18.279 -3.648 23.821 1.00 0.00 H ATOM 808 N VAL A 54 20.997 -2.510 22.387 1.00 10.90 N ATOM 809 CA VAL A 54 22.383 -2.394 21.941 1.00 6.91 C ATOM 810 C VAL A 54 22.647 -3.323 20.753 1.00 8.63 C ATOM 811 O VAL A 54 23.235 -2.915 19.749 1.00 6.66 O ATOM 812 CB VAL A 54 23.367 -2.638 23.097 1.00 7.91 C ATOM 813 CG1 VAL A 54 24.815 -2.601 22.579 1.00 11.96 C ATOM 814 CG2 VAL A 54 23.168 -1.577 24.146 1.00 8.33 C ATOM 815 HA VAL A 54 22.548 -1.372 21.601 1.00 0.00 H ATOM 816 HB VAL A 54 23.180 -3.620 23.530 1.00 0.00 H ATOM 817 HG11 VAL A 54 24.950 -3.377 21.825 1.00 0.00 H ATOM 818 HG12 VAL A 54 25.017 -1.625 22.138 1.00 0.00 H ATOM 819 HG13 VAL A 54 25.501 -2.775 23.408 1.00 0.00 H ATOM 820 HG21 VAL A 54 23.352 -0.596 23.708 1.00 0.00 H ATOM 821 HG22 VAL A 54 22.145 -1.624 24.519 1.00 0.00 H ATOM 822 HG23 VAL A 54 23.864 -1.746 24.968 1.00 0.00 H ATOM 823 H VAL A 54 20.787 -2.975 23.293 1.00 0.00 H ATOM 824 N GLN A 55 22.158 -4.556 20.833 1.00 9.49 N ATOM 825 CA GLN A 55 22.302 -5.486 19.718 1.00 10.43 C ATOM 826 C GLN A 55 21.629 -4.944 18.457 1.00 10.40 C ATOM 827 O GLN A 55 22.120 -5.163 17.352 1.00 9.45 O ATOM 828 CB GLN A 55 21.726 -6.855 20.077 1.00 13.27 C ATOM 829 CG GLN A 55 22.579 -7.647 21.073 1.00 11.09 C ATOM 830 CD GLN A 55 21.892 -8.929 21.512 1.00 14.72 C ATOM 831 OE1 GLN A 55 20.657 -9.021 21.508 1.00 14.79 O ATOM 832 NE2 GLN A 55 22.684 -9.924 21.891 1.00 9.94 N ATOM 833 HA GLN A 55 23.367 -5.598 19.515 1.00 0.00 H ATOM 834 HB2 GLN A 55 20.738 -6.708 20.512 1.00 0.00 H ATOM 835 HB3 GLN A 55 21.635 -7.440 19.162 1.00 0.00 H ATOM 836 HG2 GLN A 55 23.529 -7.899 20.602 1.00 0.00 H ATOM 837 HG3 GLN A 55 22.764 -7.027 21.950 1.00 0.00 H ATOM 838 HE22 GLN A 55 23.717 -9.801 21.878 1.00 0.00 H ATOM 839 HE21 GLN A 55 22.272 -10.827 22.201 1.00 0.00 H ATOM 840 H GLN A 55 21.668 -4.861 21.698 1.00 0.00 H ATOM 841 N ALA A 56 20.529 -4.217 18.632 1.00 9.85 N ATOM 842 CA ALA A 56 19.775 -3.670 17.496 1.00 9.87 C ATOM 843 C ALA A 56 20.598 -2.644 16.709 1.00 9.40 C ATOM 844 O ALA A 56 20.350 -2.409 15.525 1.00 10.66 O ATOM 845 CB ALA A 56 18.470 -3.044 17.975 1.00 10.78 C ATOM 846 HA ALA A 56 19.548 -4.498 16.824 1.00 0.00 H ATOM 847 HB1 ALA A 56 17.865 -3.803 18.471 1.00 0.00 H ATOM 848 HB2 ALA A 56 18.691 -2.239 18.676 1.00 0.00 H ATOM 849 HB3 ALA A 56 17.925 -2.644 17.120 1.00 0.00 H ATOM 850 H ALA A 56 20.194 -4.031 19.599 1.00 0.00 H ATOM 851 N VAL A 57 21.578 -2.040 17.368 1.00 6.43 N ATOM 852 CA VAL A 57 22.427 -1.039 16.707 1.00 7.93 C ATOM 853 C VAL A 57 23.124 -1.619 15.471 1.00 8.75 C ATOM 854 O VAL A 57 23.416 -0.883 14.521 1.00 7.38 O ATOM 855 CB VAL A 57 23.436 -0.389 17.693 1.00 8.13 C ATOM 856 CG1 VAL A 57 24.317 0.664 17.000 1.00 6.72 C ATOM 857 CG2 VAL A 57 22.687 0.272 18.847 1.00 8.18 C ATOM 858 HA VAL A 57 21.771 -0.240 16.360 1.00 0.00 H ATOM 859 HB VAL A 57 24.081 -1.184 18.067 1.00 0.00 H ATOM 860 HG11 VAL A 57 24.881 0.192 16.195 1.00 0.00 H ATOM 861 HG12 VAL A 57 23.685 1.451 16.589 1.00 0.00 H ATOM 862 HG13 VAL A 57 25.008 1.093 17.726 1.00 0.00 H ATOM 863 HG21 VAL A 57 22.023 1.042 18.454 1.00 0.00 H ATOM 864 HG22 VAL A 57 22.101 -0.480 19.376 1.00 0.00 H ATOM 865 HG23 VAL A 57 23.404 0.724 19.532 1.00 0.00 H ATOM 866 H VAL A 57 21.748 -2.278 18.366 1.00 0.00 H ATOM 867 N CYS A 58 23.354 -2.935 15.462 1.00 5.56 N ATOM 868 CA CYS A 58 24.049 -3.574 14.337 1.00 8.37 C ATOM 869 C CYS A 58 23.239 -3.530 13.046 1.00 10.24 C ATOM 870 O CYS A 58 23.744 -3.908 11.988 1.00 9.37 O ATOM 871 CB CYS A 58 24.433 -5.029 14.647 1.00 6.66 C ATOM 872 SG CYS A 58 25.686 -5.236 15.940 1.00 11.13 S ATOM 873 HA CYS A 58 24.959 -2.992 14.191 1.00 0.00 H ATOM 874 HB2 CYS A 58 24.815 -5.480 13.731 1.00 0.00 H ATOM 875 HB3 CYS A 58 23.532 -5.556 14.962 1.00 0.00 H ATOM 876 H CYS A 58 23.036 -3.516 16.264 1.00 0.00 H ATOM 877 N SER A 59 21.991 -3.081 13.125 1.00 10.76 N ATOM 878 CA SER A 59 21.179 -2.932 11.915 1.00 9.74 C ATOM 879 C SER A 59 20.749 -1.480 11.720 1.00 9.65 C ATOM 880 O SER A 59 19.844 -1.194 10.935 1.00 9.89 O ATOM 881 CB SER A 59 19.960 -3.854 11.975 1.00 14.83 C ATOM 882 OG SER A 59 19.066 -3.405 12.982 1.00 19.71 O ATOM 883 HA SER A 59 21.788 -3.218 11.058 1.00 0.00 H ATOM 884 HB2 SER A 59 20.285 -4.869 12.205 1.00 0.00 H ATOM 885 HB3 SER A 59 19.452 -3.846 11.010 1.00 0.00 H ATOM 886 HG SER A 59 19.527 -3.413 13.858 1.00 0.00 H ATOM 887 H SER A 59 21.588 -2.834 14.051 1.00 0.00 H ATOM 888 N GLN A 60 21.438 -0.570 12.403 1.00 7.73 N ATOM 889 CA GLN A 60 21.128 0.860 12.346 1.00 7.32 C ATOM 890 C GLN A 60 22.094 1.581 11.390 1.00 9.31 C ATOM 891 O GLN A 60 22.352 1.054 10.310 1.00 9.21 O ATOM 892 CB GLN A 60 21.044 1.444 13.757 1.00 7.99 C ATOM 893 CG GLN A 60 19.876 0.775 14.522 1.00 8.46 C ATOM 894 CD GLN A 60 19.654 1.263 15.949 1.00 9.52 C ATOM 895 OE1 GLN A 60 20.226 2.260 16.388 1.00 8.25 O ATOM 896 NE2 GLN A 60 18.813 0.533 16.691 1.00 8.72 N ATOM 897 HA GLN A 60 20.139 1.019 11.917 1.00 0.00 H ATOM 898 HB2 GLN A 60 21.979 1.257 14.285 1.00 0.00 H ATOM 899 HB3 GLN A 60 20.871 2.519 13.696 1.00 0.00 H ATOM 900 HG2 GLN A 60 18.960 0.956 13.960 1.00 0.00 H ATOM 901 HG3 GLN A 60 20.071 -0.297 14.561 1.00 0.00 H ATOM 902 HE22 GLN A 60 18.350 -0.303 16.281 1.00 0.00 H ATOM 903 HE21 GLN A 60 18.623 0.802 17.677 1.00 0.00 H ATOM 904 H GLN A 60 22.228 -0.887 13.001 1.00 0.00 H ATOM 905 N LYS A 61 22.620 2.749 11.757 1.00 9.38 N ATOM 906 CA LYS A 61 23.347 3.573 10.786 1.00 10.33 C ATOM 907 C LYS A 61 24.770 3.094 10.553 1.00 9.03 C ATOM 908 O LYS A 61 25.607 3.237 11.421 1.00 8.43 O ATOM 909 CB LYS A 61 23.389 5.040 11.221 1.00 6.20 C ATOM 910 CG LYS A 61 24.120 5.939 10.220 1.00 8.16 C ATOM 911 CD LYS A 61 24.331 7.329 10.791 1.00 12.58 C ATOM 912 CE LYS A 61 24.951 8.269 9.768 1.00 24.86 C ATOM 913 NZ LYS A 61 25.070 9.649 10.319 1.00 30.41 N ATOM 914 HA LYS A 61 22.795 3.477 9.851 1.00 0.00 H ATOM 915 HB2 LYS A 61 22.366 5.400 11.329 1.00 0.00 H ATOM 916 HB3 LYS A 61 23.899 5.103 12.182 1.00 0.00 H ATOM 917 HG2 LYS A 61 25.089 5.498 9.986 1.00 0.00 H ATOM 918 HG3 LYS A 61 23.527 6.014 9.308 1.00 0.00 H ATOM 919 HD2 LYS A 61 23.368 7.733 11.104 1.00 0.00 H ATOM 920 HD3 LYS A 61 24.993 7.260 11.654 1.00 0.00 H ATOM 921 HE2 LYS A 61 24.323 8.293 8.877 1.00 0.00 H ATOM 922 HE3 LYS A 61 25.943 7.904 9.502 1.00 0.00 H ATOM 923 HZ1 LYS A 61 24.125 10.003 10.571 1.00 0.00 H ATOM 924 HZ2 LYS A 61 25.672 9.632 11.167 1.00 0.00 H ATOM 925 HZ3 LYS A 61 25.496 10.271 9.603 1.00 0.00 H ATOM 926 H LYS A 61 22.514 3.078 12.738 1.00 0.00 H ATOM 927 N ASN A 62 25.041 2.552 9.368 1.00 9.68 N ATOM 928 CA ASN A 62 26.383 2.068 9.045 1.00 8.96 C ATOM 929 C ASN A 62 27.344 3.258 8.895 1.00 8.80 C ATOM 930 O ASN A 62 27.056 4.199 8.138 1.00 9.51 O ATOM 931 CB ASN A 62 26.316 1.235 7.751 1.00 9.72 C ATOM 932 CG ASN A 62 27.621 0.505 7.429 1.00 10.47 C ATOM 933 OD1 ASN A 62 27.897 0.200 6.263 1.00 11.00 O ATOM 934 ND2 ASN A 62 28.434 0.243 8.446 1.00 8.15 N ATOM 935 HA ASN A 62 26.759 1.435 9.849 1.00 0.00 H ATOM 936 HB2 ASN A 62 25.523 0.495 7.857 1.00 0.00 H ATOM 937 HB3 ASN A 62 26.080 1.902 6.922 1.00 0.00 H ATOM 938 HD22 ASN A 62 28.163 0.517 9.412 1.00 0.00 H ATOM 939 HD21 ASN A 62 29.341 -0.236 8.276 1.00 0.00 H ATOM 940 H ASN A 62 24.285 2.471 8.659 1.00 0.00 H ATOM 941 N VAL A 63 28.461 3.224 9.624 1.00 5.51 N ATOM 942 CA VAL A 63 29.488 4.274 9.566 1.00 6.72 C ATOM 943 C VAL A 63 30.889 3.650 9.562 1.00 6.64 C ATOM 944 O VAL A 63 31.050 2.501 9.931 1.00 6.62 O ATOM 945 CB VAL A 63 29.396 5.261 10.761 1.00 6.23 C ATOM 946 CG1 VAL A 63 28.047 6.032 10.770 1.00 6.15 C ATOM 947 CG2 VAL A 63 29.592 4.530 12.081 1.00 5.32 C ATOM 948 HA VAL A 63 29.310 4.829 8.645 1.00 0.00 H ATOM 949 HB VAL A 63 30.197 5.991 10.639 1.00 0.00 H ATOM 950 HG11 VAL A 63 27.950 6.602 9.846 1.00 0.00 H ATOM 951 HG12 VAL A 63 27.224 5.321 10.848 1.00 0.00 H ATOM 952 HG13 VAL A 63 28.024 6.712 11.622 1.00 0.00 H ATOM 953 HG21 VAL A 63 28.819 3.770 12.192 1.00 0.00 H ATOM 954 HG22 VAL A 63 30.574 4.056 12.090 1.00 0.00 H ATOM 955 HG23 VAL A 63 29.523 5.242 12.903 1.00 0.00 H ATOM 956 H VAL A 63 28.612 2.417 10.263 1.00 0.00 H ATOM 957 N ALA A 64 31.898 4.406 9.145 1.00 6.20 N ATOM 958 CA ALA A 64 33.272 3.884 9.165 1.00 6.51 C ATOM 959 C ALA A 64 33.776 3.743 10.594 1.00 7.23 C ATOM 960 O ALA A 64 33.554 4.625 11.417 1.00 7.03 O ATOM 961 CB ALA A 64 34.191 4.788 8.377 1.00 8.70 C ATOM 962 HA ALA A 64 33.267 2.897 8.702 1.00 0.00 H ATOM 963 HB1 ALA A 64 33.847 4.843 7.344 1.00 0.00 H ATOM 964 HB2 ALA A 64 34.183 5.785 8.817 1.00 0.00 H ATOM 965 HB3 ALA A 64 35.204 4.386 8.403 1.00 0.00 H ATOM 966 H ALA A 64 31.715 5.371 8.803 1.00 0.00 H ATOM 967 N CYS A 65 34.446 2.627 10.885 1.00 7.28 N ATOM 968 CA CYS A 65 35.149 2.445 12.157 1.00 6.33 C ATOM 969 C CYS A 65 36.388 3.313 12.206 1.00 6.96 C ATOM 970 O CYS A 65 36.969 3.630 11.173 1.00 7.34 O ATOM 971 CB CYS A 65 35.605 0.999 12.325 1.00 5.87 C ATOM 972 SG CYS A 65 34.276 -0.210 12.154 1.00 6.71 S ATOM 973 HA CYS A 65 34.453 2.718 12.950 1.00 0.00 H ATOM 974 HB2 CYS A 65 36.043 0.890 13.317 1.00 0.00 H ATOM 975 HB3 CYS A 65 36.362 0.787 11.570 1.00 0.00 H ATOM 976 H CYS A 65 34.470 1.859 10.184 1.00 0.00 H ATOM 977 N LYS A 66 36.805 3.674 13.411 1.00 8.59 N ATOM 978 CA LYS A 66 38.036 4.444 13.587 1.00 8.23 C ATOM 979 C LYS A 66 39.244 3.809 12.898 1.00 9.09 C ATOM 980 O LYS A 66 40.117 4.518 12.396 1.00 9.76 O ATOM 981 CB LYS A 66 38.321 4.644 15.076 1.00 8.66 C ATOM 982 CG LYS A 66 37.472 5.735 15.695 1.00 10.63 C ATOM 983 CD LYS A 66 37.694 5.850 17.197 1.00 13.14 C ATOM 984 CE LYS A 66 38.796 6.858 17.510 1.00 25.68 C ATOM 985 NZ LYS A 66 38.925 7.132 18.976 1.00 31.51 N ATOM 986 HA LYS A 66 37.875 5.410 13.108 1.00 0.00 H ATOM 987 HB2 LYS A 66 38.121 3.708 15.598 1.00 0.00 H ATOM 988 HB3 LYS A 66 39.371 4.909 15.197 1.00 0.00 H ATOM 989 HG2 LYS A 66 37.726 6.686 15.228 1.00 0.00 H ATOM 990 HG3 LYS A 66 36.421 5.511 15.511 1.00 0.00 H ATOM 991 HD2 LYS A 66 36.768 6.175 17.671 1.00 0.00 H ATOM 992 HD3 LYS A 66 37.980 4.875 17.591 1.00 0.00 H ATOM 993 HE2 LYS A 66 38.570 7.793 16.998 1.00 0.00 H ATOM 994 HE3 LYS A 66 39.744 6.465 17.143 1.00 0.00 H ATOM 995 HZ1 LYS A 66 38.028 7.516 19.336 1.00 0.00 H ATOM 996 HZ2 LYS A 66 39.149 6.247 19.474 1.00 0.00 H ATOM 997 HZ3 LYS A 66 39.687 7.822 19.133 1.00 0.00 H ATOM 998 H LYS A 66 36.247 3.405 14.246 1.00 0.00 H ATOM 999 N ASN A 67 39.284 2.479 12.849 1.00 9.75 N ATOM 1000 CA ASN A 67 40.388 1.784 12.186 1.00 10.20 C ATOM 1001 C ASN A 67 40.260 1.660 10.667 1.00 8.87 C ATOM 1002 O ASN A 67 41.100 1.041 10.021 1.00 12.79 O ATOM 1003 CB ASN A 67 40.625 0.398 12.804 1.00 11.86 C ATOM 1004 CG ASN A 67 39.497 -0.592 12.516 1.00 9.51 C ATOM 1005 OD1 ASN A 67 38.570 -0.324 11.743 1.00 9.18 O ATOM 1006 ND2 ASN A 67 39.598 -1.772 13.127 1.00 16.30 N ATOM 1007 HA ASN A 67 41.251 2.426 12.360 1.00 0.00 H ATOM 1008 HB2 ASN A 67 41.553 -0.007 12.401 1.00 0.00 H ATOM 1009 HB3 ASN A 67 40.719 0.512 13.884 1.00 0.00 H ATOM 1010 HD22 ASN A 67 40.394 -1.958 13.770 1.00 0.00 H ATOM 1011 HD21 ASN A 67 38.881 -2.507 12.960 1.00 0.00 H ATOM 1012 H ASN A 67 38.520 1.926 13.288 1.00 0.00 H ATOM 1013 N GLY A 68 39.198 2.218 10.098 1.00 9.29 N ATOM 1014 CA GLY A 68 39.014 2.164 8.660 1.00 10.68 C ATOM 1015 C GLY A 68 38.170 1.013 8.141 1.00 10.19 C ATOM 1016 O GLY A 68 37.846 0.961 6.956 1.00 10.76 O ATOM 1017 HA3 GLY A 68 39.999 2.090 8.200 1.00 0.00 H ATOM 1018 HA2 GLY A 68 38.538 3.094 8.349 1.00 0.00 H ATOM 1019 H GLY A 68 38.491 2.699 10.689 1.00 0.00 H ATOM 1020 N GLN A 69 37.846 0.061 9.007 1.00 10.48 N ATOM 1021 CA GLN A 69 36.934 -1.014 8.628 1.00 8.78 C ATOM 1022 C GLN A 69 35.543 -0.424 8.447 1.00 12.45 C ATOM 1023 O GLN A 69 35.269 0.672 8.935 1.00 12.72 O ATOM 1024 CB GLN A 69 36.924 -2.105 9.703 1.00 11.30 C ATOM 1025 CG GLN A 69 38.252 -2.845 9.819 1.00 17.67 C ATOM 1026 CD GLN A 69 38.566 -3.665 8.591 1.00 24.20 C ATOM 1027 OE1 GLN A 69 37.866 -4.636 8.279 1.00 26.40 O ATOM 1028 NE2 GLN A 69 39.619 -3.278 7.876 1.00 25.96 N ATOM 1029 HA GLN A 69 37.262 -1.470 7.694 1.00 0.00 H ATOM 1030 HB2 GLN A 69 36.699 -1.643 10.664 1.00 0.00 H ATOM 1031 HB3 GLN A 69 36.145 -2.827 9.457 1.00 0.00 H ATOM 1032 HG2 GLN A 69 39.048 -2.115 9.965 1.00 0.00 H ATOM 1033 HG3 GLN A 69 38.208 -3.510 10.682 1.00 0.00 H ATOM 1034 HE22 GLN A 69 40.178 -2.455 8.178 1.00 0.00 H ATOM 1035 HE21 GLN A 69 39.883 -3.799 7.015 1.00 0.00 H ATOM 1036 H GLN A 69 38.246 0.081 9.967 1.00 0.00 H ATOM 1037 N THR A 70 34.666 -1.150 7.761 1.00 8.83 N ATOM 1038 CA THR A 70 33.353 -0.622 7.395 1.00 7.50 C ATOM 1039 C THR A 70 32.192 -1.264 8.137 1.00 9.74 C ATOM 1040 O THR A 70 31.024 -1.055 7.771 1.00 11.39 O ATOM 1041 CB THR A 70 33.100 -0.809 5.896 1.00 12.32 C ATOM 1042 OG1 THR A 70 33.227 -2.200 5.580 1.00 19.36 O ATOM 1043 CG2 THR A 70 34.125 -0.038 5.104 1.00 19.18 C ATOM 1044 HA THR A 70 33.389 0.431 7.674 1.00 0.00 H ATOM 1045 HB THR A 70 32.102 -0.448 5.647 1.00 0.00 H ATOM 1046 HG1 THR A 70 34.140 -2.507 5.809 1.00 0.00 H ATOM 1047 HG23 THR A 70 34.038 1.023 5.336 1.00 0.00 H ATOM 1048 HG21 THR A 70 35.123 -0.388 5.366 1.00 0.00 H ATOM 1049 HG22 THR A 70 33.952 -0.194 4.039 1.00 0.00 H ATOM 1050 H THR A 70 34.920 -2.118 7.478 1.00 0.00 H ATOM 1051 N ASN A 71 32.504 -2.027 9.179 1.00 5.32 N ATOM 1052 CA ASN A 71 31.477 -2.750 9.930 1.00 7.31 C ATOM 1053 C ASN A 71 31.058 -2.067 11.234 1.00 7.73 C ATOM 1054 O ASN A 71 30.723 -2.735 12.205 1.00 6.80 O ATOM 1055 CB ASN A 71 31.905 -4.209 10.195 1.00 6.58 C ATOM 1056 CG ASN A 71 33.125 -4.319 11.097 1.00 9.36 C ATOM 1057 OD1 ASN A 71 34.158 -3.688 10.855 1.00 8.21 O ATOM 1058 ND2 ASN A 71 33.015 -5.136 12.147 1.00 8.37 N ATOM 1059 HA ASN A 71 30.594 -2.744 9.291 1.00 0.00 H ATOM 1060 HB2 ASN A 71 31.075 -4.734 10.668 1.00 0.00 H ATOM 1061 HB3 ASN A 71 32.135 -4.682 9.240 1.00 0.00 H ATOM 1062 HD22 ASN A 71 32.126 -5.650 12.315 1.00 0.00 H ATOM 1063 HD21 ASN A 71 33.818 -5.259 12.797 1.00 0.00 H ATOM 1064 H ASN A 71 33.500 -2.112 9.467 1.00 0.00 H ATOM 1065 N CYS A 72 31.070 -0.738 11.263 1.00 6.00 N ATOM 1066 CA CYS A 72 30.604 -0.046 12.467 1.00 5.37 C ATOM 1067 C CYS A 72 29.221 0.566 12.263 1.00 5.07 C ATOM 1068 O CYS A 72 28.811 0.842 11.131 1.00 7.58 O ATOM 1069 CB CYS A 72 31.620 0.992 12.939 1.00 6.92 C ATOM 1070 SG CYS A 72 33.076 0.263 13.720 1.00 7.23 S ATOM 1071 HA CYS A 72 30.510 -0.790 13.258 1.00 0.00 H ATOM 1072 HB2 CYS A 72 31.134 1.650 13.659 1.00 0.00 H ATOM 1073 HB3 CYS A 72 31.945 1.575 12.077 1.00 0.00 H ATOM 1074 H CYS A 72 31.406 -0.196 10.441 1.00 0.00 H ATOM 1075 N TYR A 73 28.497 0.734 13.365 1.00 4.62 N ATOM 1076 CA TYR A 73 27.102 1.166 13.332 1.00 5.54 C ATOM 1077 C TYR A 73 26.815 2.141 14.447 1.00 7.48 C ATOM 1078 O TYR A 73 27.182 1.904 15.607 1.00 5.66 O ATOM 1079 CB TYR A 73 26.178 -0.044 13.455 1.00 6.54 C ATOM 1080 CG TYR A 73 26.279 -0.941 12.246 1.00 10.20 C ATOM 1081 CD1 TYR A 73 27.258 -1.931 12.168 1.00 11.26 C ATOM 1082 CD2 TYR A 73 25.426 -0.776 11.165 1.00 11.49 C ATOM 1083 CE1 TYR A 73 27.374 -2.735 11.046 1.00 11.06 C ATOM 1084 CE2 TYR A 73 25.541 -1.579 10.043 1.00 13.05 C ATOM 1085 CZ TYR A 73 26.520 -2.554 9.996 1.00 14.32 C ATOM 1086 OH TYR A 73 26.642 -3.368 8.893 1.00 27.28 O ATOM 1087 HA TYR A 73 26.921 1.665 12.380 1.00 0.00 H ATOM 1088 HB3 TYR A 73 25.150 0.304 13.554 1.00 0.00 H ATOM 1089 HB2 TYR A 73 26.455 -0.613 14.343 1.00 0.00 H ATOM 1090 HD2 TYR A 73 24.656 -0.005 11.199 1.00 0.00 H ATOM 1091 HE2 TYR A 73 24.863 -1.443 9.201 1.00 0.00 H ATOM 1092 HE1 TYR A 73 28.142 -3.507 11.002 1.00 0.00 H ATOM 1093 HD1 TYR A 73 27.943 -2.075 13.004 1.00 0.00 H ATOM 1094 HH TYR A 73 27.390 -4.002 9.033 1.00 0.00 H ATOM 1095 H TYR A 73 28.941 0.551 14.287 1.00 0.00 H ATOM 1096 N GLN A 74 26.146 3.235 14.105 1.00 5.75 N ATOM 1097 CA GLN A 74 25.879 4.278 15.077 1.00 6.50 C ATOM 1098 C GLN A 74 24.407 4.234 15.479 1.00 6.28 C ATOM 1099 O GLN A 74 23.538 4.095 14.627 1.00 7.13 O ATOM 1100 CB GLN A 74 26.231 5.633 14.471 1.00 5.53 C ATOM 1101 CG GLN A 74 25.904 6.815 15.363 1.00 8.36 C ATOM 1102 CD GLN A 74 26.336 8.110 14.723 1.00 13.31 C ATOM 1103 OE1 GLN A 74 27.477 8.237 14.295 1.00 12.24 O ATOM 1104 NE2 GLN A 74 25.416 9.065 14.614 1.00 12.20 N ATOM 1105 HA GLN A 74 26.488 4.123 15.968 1.00 0.00 H ATOM 1106 HB2 GLN A 74 27.301 5.647 14.262 1.00 0.00 H ATOM 1107 HB3 GLN A 74 25.678 5.745 13.538 1.00 0.00 H ATOM 1108 HG2 GLN A 74 24.828 6.844 15.537 1.00 0.00 H ATOM 1109 HG3 GLN A 74 26.421 6.697 16.315 1.00 0.00 H ATOM 1110 HE22 GLN A 74 24.460 8.912 14.993 1.00 0.00 H ATOM 1111 HE21 GLN A 74 25.653 9.965 14.150 1.00 0.00 H ATOM 1112 H GLN A 74 25.809 3.346 13.127 1.00 0.00 H ATOM 1113 N SER A 75 24.118 4.333 16.773 1.00 6.91 N ATOM 1114 CA SER A 75 22.726 4.243 17.220 1.00 8.82 C ATOM 1115 C SER A 75 21.910 5.437 16.720 1.00 7.72 C ATOM 1116 O SER A 75 22.404 6.555 16.683 1.00 10.53 O ATOM 1117 CB SER A 75 22.642 4.149 18.753 1.00 8.63 C ATOM 1118 OG SER A 75 23.267 5.267 19.354 1.00 6.93 O ATOM 1119 HA SER A 75 22.303 3.333 16.795 1.00 0.00 H ATOM 1120 HB2 SER A 75 23.140 3.238 19.084 1.00 0.00 H ATOM 1121 HB3 SER A 75 21.595 4.119 19.054 1.00 0.00 H ATOM 1122 HG SER A 75 22.814 6.096 19.057 1.00 0.00 H ATOM 1123 H SER A 75 24.880 4.474 17.467 1.00 0.00 H ATOM 1124 N TYR A 76 20.661 5.195 16.319 1.00 10.45 N ATOM 1125 CA TYR A 76 19.799 6.282 15.863 1.00 10.36 C ATOM 1126 C TYR A 76 19.402 7.186 17.027 1.00 10.54 C ATOM 1127 O TYR A 76 19.173 8.388 16.858 1.00 15.62 O ATOM 1128 CB TYR A 76 18.548 5.727 15.164 1.00 12.39 C ATOM 1129 CG TYR A 76 18.826 5.135 13.801 1.00 11.53 C ATOM 1130 CD1 TYR A 76 19.503 5.862 12.827 1.00 9.46 C ATOM 1131 CD2 TYR A 76 18.419 3.845 13.490 1.00 12.32 C ATOM 1132 CE1 TYR A 76 19.767 5.316 11.580 1.00 10.01 C ATOM 1133 CE2 TYR A 76 18.673 3.298 12.255 1.00 10.78 C ATOM 1134 CZ TYR A 76 19.355 4.035 11.301 1.00 10.86 C ATOM 1135 OH TYR A 76 19.609 3.483 10.060 1.00 16.80 O ATOM 1136 HA TYR A 76 20.361 6.878 15.143 1.00 0.00 H ATOM 1137 HB3 TYR A 76 17.830 6.539 15.047 1.00 0.00 H ATOM 1138 HB2 TYR A 76 18.117 4.950 15.795 1.00 0.00 H ATOM 1139 HD2 TYR A 76 17.889 3.256 14.238 1.00 0.00 H ATOM 1140 HE2 TYR A 76 18.338 2.286 12.027 1.00 0.00 H ATOM 1141 HE1 TYR A 76 20.297 5.899 10.827 1.00 0.00 H ATOM 1142 HD1 TYR A 76 19.831 6.878 13.048 1.00 0.00 H ATOM 1143 HH TYR A 76 20.101 4.137 9.503 1.00 0.00 H ATOM 1144 H TYR A 76 20.297 4.221 16.331 1.00 0.00 H ATOM 1145 N SER A 77 19.315 6.600 18.213 1.00 13.41 N ATOM 1146 CA SER A 77 18.952 7.355 19.401 1.00 15.41 C ATOM 1147 C SER A 77 20.140 7.476 20.340 1.00 16.45 C ATOM 1148 O SER A 77 21.077 6.661 20.279 1.00 10.46 O ATOM 1149 CB SER A 77 17.771 6.687 20.107 1.00 14.34 C ATOM 1150 OG SER A 77 16.627 6.708 19.265 1.00 18.53 O ATOM 1151 HA SER A 77 18.654 8.360 19.100 1.00 0.00 H ATOM 1152 HB2 SER A 77 17.551 7.224 21.029 1.00 0.00 H ATOM 1153 HB3 SER A 77 18.028 5.654 20.342 1.00 0.00 H ATOM 1154 HG SER A 77 15.868 6.274 19.730 1.00 0.00 H ATOM 1155 H SER A 77 19.510 5.582 18.295 1.00 0.00 H ATOM 1156 N THR A 78 20.134 8.508 21.179 1.00 14.42 N ATOM 1157 CA THR A 78 21.174 8.614 22.201 1.00 12.25 C ATOM 1158 C THR A 78 20.954 7.480 23.193 1.00 11.83 C ATOM 1159 O THR A 78 19.846 6.966 23.321 1.00 12.25 O ATOM 1160 CB THR A 78 21.172 9.966 22.976 1.00 17.63 C ATOM 1161 OG1 THR A 78 19.957 10.099 23.734 1.00 17.25 O ATOM 1162 CG2 THR A 78 21.351 11.164 22.032 1.00 16.81 C ATOM 1163 HA THR A 78 22.138 8.557 21.695 1.00 0.00 H ATOM 1164 HB THR A 78 22.021 9.960 23.659 1.00 0.00 H ATOM 1165 HG1 THR A 78 19.890 9.353 24.381 1.00 0.00 H ATOM 1166 HG23 THR A 78 22.276 11.045 21.467 1.00 0.00 H ATOM 1167 HG21 THR A 78 20.507 11.212 21.344 1.00 0.00 H ATOM 1168 HG22 THR A 78 21.397 12.082 22.617 1.00 0.00 H ATOM 1169 H THR A 78 19.394 9.235 21.108 1.00 0.00 H ATOM 1170 N MET A 79 22.023 7.080 23.875 1.00 11.58 N ATOM 1171 CA MET A 79 21.936 6.032 24.880 1.00 10.94 C ATOM 1172 C MET A 79 22.616 6.487 26.145 1.00 10.42 C ATOM 1173 O MET A 79 23.552 7.283 26.094 1.00 10.46 O ATOM 1174 CB MET A 79 22.589 4.746 24.373 1.00 10.43 C ATOM 1175 CG MET A 79 21.808 4.081 23.258 1.00 9.37 C ATOM 1176 SD MET A 79 22.466 2.462 22.831 1.00 11.15 S ATOM 1177 CE MET A 79 21.086 1.779 21.909 1.00 9.92 C ATOM 1178 HA MET A 79 20.885 5.829 25.085 1.00 0.00 H ATOM 1179 HB2 MET A 79 23.586 4.986 24.003 1.00 0.00 H ATOM 1180 HB3 MET A 79 22.670 4.047 25.205 1.00 0.00 H ATOM 1181 HG2 MET A 79 21.846 4.719 22.375 1.00 0.00 H ATOM 1182 HG3 MET A 79 20.772 3.965 23.577 1.00 0.00 H ATOM 1183 HE1 MET A 79 20.206 1.740 22.551 1.00 0.00 H ATOM 1184 HE2 MET A 79 20.880 2.411 21.045 1.00 0.00 H ATOM 1185 HE3 MET A 79 21.337 0.773 21.573 1.00 0.00 H ATOM 1186 H MET A 79 22.943 7.527 23.685 1.00 0.00 H ATOM 1187 N SER A 80 22.136 5.991 27.286 1.00 11.67 N ATOM 1188 CA SER A 80 22.768 6.278 28.568 1.00 13.40 C ATOM 1189 C SER A 80 24.061 5.471 28.680 1.00 11.46 C ATOM 1190 O SER A 80 24.026 4.246 28.615 1.00 12.73 O ATOM 1191 CB SER A 80 21.833 5.906 29.724 1.00 17.75 C ATOM 1192 OG SER A 80 22.481 6.105 30.968 1.00 16.25 O ATOM 1193 HA SER A 80 22.986 7.345 28.625 1.00 0.00 H ATOM 1194 HB2 SER A 80 21.547 4.858 29.632 1.00 0.00 H ATOM 1195 HB3 SER A 80 20.941 6.531 29.680 1.00 0.00 H ATOM 1196 HG SER A 80 21.864 5.860 31.703 1.00 0.00 H ATOM 1197 H SER A 80 21.291 5.385 27.261 1.00 0.00 H ATOM 1198 N ILE A 81 25.186 6.159 28.839 1.00 10.15 N ATOM 1199 CA ILE A 81 26.488 5.500 28.965 1.00 10.80 C ATOM 1200 C ILE A 81 27.307 6.098 30.099 1.00 14.05 C ATOM 1201 O ILE A 81 27.031 7.203 30.584 1.00 13.03 O ATOM 1202 CB ILE A 81 27.326 5.618 27.670 1.00 9.75 C ATOM 1203 CG1 ILE A 81 27.817 7.058 27.475 1.00 14.58 C ATOM 1204 CG2 ILE A 81 26.517 5.126 26.465 1.00 13.37 C ATOM 1205 CD1 ILE A 81 28.541 7.302 26.173 1.00 15.52 C ATOM 1206 HA ILE A 81 26.270 4.451 29.168 1.00 0.00 H ATOM 1207 HB ILE A 81 28.207 4.982 27.760 1.00 0.00 H ATOM 1208 HG12 ILE A 81 26.953 7.721 27.514 1.00 0.00 H ATOM 1209 HG13 ILE A 81 28.496 7.300 28.293 1.00 0.00 H ATOM 1210 HD11 ILE A 81 29.418 6.657 26.120 1.00 0.00 H ATOM 1211 HD12 ILE A 81 27.874 7.078 25.340 1.00 0.00 H ATOM 1212 HD13 ILE A 81 28.852 8.346 26.121 1.00 0.00 H ATOM 1213 HG21 ILE A 81 26.240 4.083 26.616 1.00 0.00 H ATOM 1214 HG22 ILE A 81 25.616 5.731 26.362 1.00 0.00 H ATOM 1215 HG23 ILE A 81 27.121 5.216 25.562 1.00 0.00 H ATOM 1216 H ILE A 81 25.141 7.197 28.875 1.00 0.00 H ATOM 1217 N THR A 82 28.334 5.366 30.509 1.00 12.48 N ATOM 1218 CA THR A 82 29.306 5.889 31.445 1.00 10.31 C ATOM 1219 C THR A 82 30.686 5.639 30.878 1.00 12.71 C ATOM 1220 O THR A 82 31.037 4.497 30.582 1.00 12.66 O ATOM 1221 CB THR A 82 29.210 5.189 32.797 1.00 12.63 C ATOM 1222 OG1 THR A 82 27.903 5.384 33.352 1.00 20.01 O ATOM 1223 CG2 THR A 82 30.261 5.743 33.750 1.00 13.49 C ATOM 1224 HA THR A 82 29.114 6.952 31.591 1.00 0.00 H ATOM 1225 HB THR A 82 29.387 4.123 32.656 1.00 0.00 H ATOM 1226 HG1 THR A 82 27.225 5.006 32.738 1.00 0.00 H ATOM 1227 HG23 THR A 82 31.252 5.592 33.323 1.00 0.00 H ATOM 1228 HG21 THR A 82 30.087 6.808 33.901 1.00 0.00 H ATOM 1229 HG22 THR A 82 30.193 5.224 34.706 1.00 0.00 H ATOM 1230 H THR A 82 28.443 4.396 30.150 1.00 0.00 H ATOM 1231 N ASP A 83 31.447 6.708 30.676 1.00 12.39 N ATOM 1232 CA ASP A 83 32.843 6.574 30.269 1.00 15.90 C ATOM 1233 C ASP A 83 33.738 6.436 31.497 1.00 16.86 C ATOM 1234 O ASP A 83 33.556 7.152 32.490 1.00 12.95 O ATOM 1235 CB ASP A 83 33.287 7.785 29.451 1.00 19.43 C ATOM 1236 CG ASP A 83 32.584 7.869 28.116 1.00 25.61 C ATOM 1237 OD1 ASP A 83 32.568 6.852 27.394 1.00 17.89 O ATOM 1238 OD2 ASP A 83 32.040 8.946 27.782 1.00 25.75 O ATOM 1239 HA ASP A 83 32.932 5.680 29.652 1.00 0.00 H ATOM 1240 HB2 ASP A 83 33.070 8.690 30.019 1.00 0.00 H ATOM 1241 HB3 ASP A 83 34.361 7.716 29.277 1.00 0.00 H ATOM 1242 H ASP A 83 31.042 7.657 30.810 1.00 0.00 H ATOM 1243 N CYS A 84 34.702 5.517 31.419 1.00 12.47 N ATOM 1244 CA CYS A 84 35.707 5.350 32.465 1.00 16.18 C ATOM 1245 C CYS A 84 37.092 5.659 31.914 1.00 20.45 C ATOM 1246 O CYS A 84 37.552 5.016 30.970 1.00 17.09 O ATOM 1247 CB CYS A 84 35.693 3.927 33.023 1.00 11.11 C ATOM 1248 SG CYS A 84 34.096 3.404 33.662 1.00 13.50 S ATOM 1249 HA CYS A 84 35.467 6.043 33.271 1.00 0.00 H ATOM 1250 HB2 CYS A 84 36.421 3.869 33.832 1.00 0.00 H ATOM 1251 HB3 CYS A 84 35.983 3.243 32.225 1.00 0.00 H ATOM 1252 H CYS A 84 34.739 4.898 30.584 1.00 0.00 H ATOM 1253 N ARG A 85 37.757 6.641 32.511 1.00 14.80 N ATOM 1254 CA ARG A 85 39.060 7.061 32.032 1.00 16.02 C ATOM 1255 C ARG A 85 40.065 7.056 33.167 1.00 19.58 C ATOM 1256 O ARG A 85 39.863 7.717 34.186 1.00 20.99 O ATOM 1257 CB ARG A 85 38.993 8.457 31.413 1.00 27.26 C ATOM 1258 CG ARG A 85 40.347 9.145 31.369 1.00 33.65 C ATOM 1259 CD ARG A 85 40.315 10.409 30.541 1.00 38.73 C ATOM 1260 NE ARG A 85 40.046 10.117 29.135 1.00 56.90 N ATOM 1261 CZ ARG A 85 40.961 9.675 28.277 1.00 52.57 C ATOM 1262 NH1 ARG A 85 42.209 9.468 28.681 1.00 44.59 N ATOM 1263 NH2 ARG A 85 40.629 9.437 27.014 1.00 50.58 N ATOM 1264 HA ARG A 85 39.378 6.355 31.265 1.00 0.00 H ATOM 1265 HB2 ARG A 85 38.613 8.370 30.395 1.00 0.00 H ATOM 1266 HB3 ARG A 85 38.310 9.068 32.003 1.00 0.00 H ATOM 1267 HG2 ARG A 85 40.646 9.398 32.386 1.00 0.00 H ATOM 1268 HG3 ARG A 85 41.076 8.460 30.937 1.00 0.00 H ATOM 1269 HD2 ARG A 85 41.279 10.911 30.621 1.00 0.00 H ATOM 1270 HD3 ARG A 85 39.533 11.065 30.924 1.00 0.00 H ATOM 1271 HE ARG A 85 39.078 10.264 28.783 1.00 0.00 H ATOM 1272 HH12 ARG A 85 42.923 9.122 28.008 1.00 0.00 H ATOM 1273 HH11 ARG A 85 42.473 9.652 29.670 1.00 0.00 H ATOM 1274 HH22 ARG A 85 41.346 9.091 26.344 1.00 0.00 H ATOM 1275 HH21 ARG A 85 39.652 9.596 26.694 1.00 0.00 H ATOM 1276 H ARG A 85 37.337 7.116 33.335 1.00 0.00 H ATOM 1277 N GLU A 86 41.146 6.309 32.981 1.00 17.42 N ATOM 1278 CA GLU A 86 42.175 6.181 34.009 1.00 20.82 C ATOM 1279 C GLU A 86 42.715 7.548 34.445 1.00 21.88 C ATOM 1280 O GLU A 86 43.054 8.381 33.601 1.00 28.69 O ATOM 1281 CB GLU A 86 43.316 5.292 33.512 1.00 19.31 C ATOM 1282 CG GLU A 86 44.287 4.966 34.612 1.00 17.77 C ATOM 1283 CD GLU A 86 45.477 4.154 34.156 1.00 18.04 C ATOM 1284 OE1 GLU A 86 45.769 4.135 32.941 1.00 23.20 O ATOM 1285 OE2 GLU A 86 46.118 3.545 35.031 1.00 23.49 O ATOM 1286 HA GLU A 86 41.715 5.715 34.880 1.00 0.00 H ATOM 1287 HB2 GLU A 86 42.897 4.364 33.124 1.00 0.00 H ATOM 1288 HB3 GLU A 86 43.847 5.811 32.714 1.00 0.00 H ATOM 1289 HG2 GLU A 86 44.652 5.901 35.037 1.00 0.00 H ATOM 1290 HG3 GLU A 86 43.759 4.401 35.380 1.00 0.00 H ATOM 1291 H GLU A 86 41.263 5.802 32.080 1.00 0.00 H ATOM 1292 N THR A 87 42.772 7.779 35.759 1.00 18.25 N ATOM 1293 CA THR A 87 43.297 9.036 36.292 1.00 24.86 C ATOM 1294 C THR A 87 44.802 9.108 36.071 1.00 25.46 C ATOM 1295 O THR A 87 45.453 8.096 35.827 1.00 25.79 O ATOM 1296 CB THR A 87 43.023 9.192 37.802 1.00 24.26 C ATOM 1297 OG1 THR A 87 43.631 8.107 38.511 1.00 22.74 O ATOM 1298 CG2 THR A 87 41.523 9.210 38.093 1.00 25.45 C ATOM 1299 HA THR A 87 42.786 9.840 35.761 1.00 0.00 H ATOM 1300 HB THR A 87 43.448 10.141 38.130 1.00 0.00 H ATOM 1301 HG1 THR A 87 43.249 7.251 38.192 1.00 0.00 H ATOM 1302 HG23 THR A 87 41.059 10.036 37.553 1.00 0.00 H ATOM 1303 HG21 THR A 87 41.080 8.268 37.769 1.00 0.00 H ATOM 1304 HG22 THR A 87 41.363 9.339 39.164 1.00 0.00 H ATOM 1305 H THR A 87 42.435 7.049 36.418 1.00 0.00 H ATOM 1306 N GLY A 88 45.355 10.311 36.164 1.00 31.04 N ATOM 1307 CA GLY A 88 46.776 10.503 35.941 1.00 36.01 C ATOM 1308 C GLY A 88 47.634 9.927 37.053 1.00 30.11 C ATOM 1309 O GLY A 88 48.795 9.585 36.836 1.00 36.84 O ATOM 1310 HA3 GLY A 88 46.975 11.572 35.867 1.00 0.00 H ATOM 1311 HA2 GLY A 88 47.050 10.018 35.004 1.00 0.00 H ATOM 1312 H GLY A 88 44.760 11.130 36.401 1.00 0.00 H ATOM 1313 N SER A 89 47.048 9.813 38.242 1.00 30.56 N ATOM 1314 CA SER A 89 47.750 9.336 39.425 1.00 31.16 C ATOM 1315 C SER A 89 47.503 7.848 39.655 1.00 37.14 C ATOM 1316 O SER A 89 47.915 7.285 40.675 1.00 34.37 O ATOM 1317 CB SER A 89 47.286 10.126 40.646 1.00 34.96 C ATOM 1318 OG SER A 89 45.876 10.051 40.783 1.00 37.59 O ATOM 1319 HA SER A 89 48.819 9.483 39.269 1.00 0.00 H ATOM 1320 HB2 SER A 89 47.580 11.169 40.531 1.00 0.00 H ATOM 1321 HB3 SER A 89 47.755 9.714 41.539 1.00 0.00 H ATOM 1322 HG SER A 89 45.595 10.568 41.579 1.00 0.00 H ATOM 1323 H SER A 89 46.046 10.076 38.330 1.00 0.00 H ATOM 1324 N SER A 90 46.824 7.218 38.701 1.00 30.25 N ATOM 1325 CA SER A 90 46.484 5.803 38.792 1.00 24.96 C ATOM 1326 C SER A 90 47.711 4.928 38.594 1.00 20.20 C ATOM 1327 O SER A 90 48.466 5.107 37.641 1.00 31.96 O ATOM 1328 CB SER A 90 45.425 5.445 37.753 1.00 20.06 C ATOM 1329 OG SER A 90 45.277 4.044 37.632 1.00 18.55 O ATOM 1330 HA SER A 90 46.088 5.620 39.791 1.00 0.00 H ATOM 1331 HB2 SER A 90 45.721 5.856 36.788 1.00 0.00 H ATOM 1332 HB3 SER A 90 44.471 5.878 38.054 1.00 0.00 H ATOM 1333 HG SER A 90 46.139 3.645 37.354 1.00 0.00 H ATOM 1334 H SER A 90 46.525 7.753 37.861 1.00 0.00 H ATOM 1335 N LYS A 91 47.878 3.964 39.490 1.00 22.24 N ATOM 1336 CA LYS A 91 49.033 3.085 39.489 1.00 27.02 C ATOM 1337 C LYS A 91 48.610 1.629 39.677 1.00 25.04 C ATOM 1338 O LYS A 91 48.140 1.250 40.752 1.00 28.16 O ATOM 1339 CB LYS A 91 49.984 3.511 40.613 1.00 31.53 C ATOM 1340 CG LYS A 91 50.981 2.463 41.040 1.00 33.67 C ATOM 1341 CD LYS A 91 50.658 1.874 42.413 1.00 40.98 C ATOM 1342 CE LYS A 91 51.794 0.994 42.902 1.00 40.62 C ATOM 1343 NZ LYS A 91 53.066 1.770 42.945 1.00 29.49 N ATOM 1344 HA LYS A 91 49.540 3.163 38.527 1.00 0.00 H ATOM 1345 HB2 LYS A 91 50.538 4.386 40.273 1.00 0.00 H ATOM 1346 HB3 LYS A 91 49.382 3.778 41.482 1.00 0.00 H ATOM 1347 HG2 LYS A 91 50.979 1.658 40.305 1.00 0.00 H ATOM 1348 HG3 LYS A 91 51.971 2.917 41.078 1.00 0.00 H ATOM 1349 HD2 LYS A 91 50.503 2.686 43.123 1.00 0.00 H ATOM 1350 HD3 LYS A 91 49.749 1.277 42.341 1.00 0.00 H ATOM 1351 HE2 LYS A 91 51.911 0.148 42.225 1.00 0.00 H ATOM 1352 HE3 LYS A 91 51.561 0.628 43.902 1.00 0.00 H ATOM 1353 HZ1 LYS A 91 53.291 2.118 41.991 1.00 0.00 H ATOM 1354 HZ2 LYS A 91 52.957 2.576 43.593 1.00 0.00 H ATOM 1355 HZ3 LYS A 91 53.834 1.155 43.281 1.00 0.00 H ATOM 1356 H LYS A 91 47.152 3.833 40.223 1.00 0.00 H ATOM 1357 N TYR A 92 48.766 0.828 38.624 1.00 25.04 N ATOM 1358 CA TYR A 92 48.523 -0.614 38.697 1.00 28.53 C ATOM 1359 C TYR A 92 49.287 -1.204 39.880 1.00 29.13 C ATOM 1360 O TYR A 92 50.449 -0.863 40.090 1.00 26.41 O ATOM 1361 CB TYR A 92 48.969 -1.292 37.397 1.00 27.47 C ATOM 1362 CG TYR A 92 48.766 -2.797 37.366 1.00 30.14 C ATOM 1363 CD1 TYR A 92 49.717 -3.663 37.900 1.00 29.45 C ATOM 1364 CD2 TYR A 92 47.626 -3.350 36.800 1.00 30.01 C ATOM 1365 CE1 TYR A 92 49.534 -5.034 37.876 1.00 29.36 C ATOM 1366 CE2 TYR A 92 47.433 -4.722 36.766 1.00 29.86 C ATOM 1367 CZ TYR A 92 48.391 -5.561 37.303 1.00 34.83 C ATOM 1368 OH TYR A 92 48.206 -6.928 37.274 1.00 34.59 O ATOM 1369 HA TYR A 92 47.456 -0.788 38.834 1.00 0.00 H ATOM 1370 HB3 TYR A 92 50.030 -1.089 37.254 1.00 0.00 H ATOM 1371 HB2 TYR A 92 48.403 -0.855 36.574 1.00 0.00 H ATOM 1372 HD2 TYR A 92 46.868 -2.693 36.374 1.00 0.00 H ATOM 1373 HE2 TYR A 92 46.530 -5.137 36.318 1.00 0.00 H ATOM 1374 HE1 TYR A 92 50.286 -5.695 38.306 1.00 0.00 H ATOM 1375 HD1 TYR A 92 50.623 -3.253 38.346 1.00 0.00 H ATOM 1376 HH TYR A 92 48.123 -7.229 36.334 1.00 0.00 H ATOM 1377 H TYR A 92 49.071 1.241 37.719 1.00 0.00 H ATOM 1378 N PRO A 93 48.653 -2.110 40.644 1.00 28.66 N ATOM 1379 CA PRO A 93 47.332 -2.718 40.447 1.00 27.88 C ATOM 1380 C PRO A 93 46.158 -1.860 40.927 1.00 28.65 C ATOM 1381 O PRO A 93 45.012 -2.197 40.630 1.00 32.76 O ATOM 1382 CB PRO A 93 47.417 -3.974 41.309 1.00 29.51 C ATOM 1383 CG PRO A 93 48.279 -3.558 42.445 1.00 33.08 C ATOM 1384 CD PRO A 93 49.321 -2.649 41.843 1.00 33.74 C ATOM 1385 HA PRO A 93 47.134 -2.876 39.387 1.00 0.00 H ATOM 1386 HD3 PRO A 93 49.588 -1.849 42.534 1.00 0.00 H ATOM 1387 HD2 PRO A 93 50.217 -3.208 41.573 1.00 0.00 H ATOM 1388 HG3 PRO A 93 48.750 -4.427 42.905 1.00 0.00 H ATOM 1389 HG2 PRO A 93 47.693 -3.025 43.194 1.00 0.00 H ATOM 1390 HB2 PRO A 93 46.429 -4.274 41.659 1.00 0.00 H ATOM 1391 HB3 PRO A 93 47.871 -4.796 40.756 1.00 0.00 H ATOM 1392 N ASN A 94 46.431 -0.786 41.662 1.00 25.74 N ATOM 1393 CA ASN A 94 45.369 0.073 42.178 1.00 30.98 C ATOM 1394 C ASN A 94 44.853 1.020 41.109 1.00 22.99 C ATOM 1395 O ASN A 94 45.064 2.226 41.195 1.00 26.49 O ATOM 1396 CB ASN A 94 45.860 0.908 43.363 1.00 29.31 C ATOM 1397 CG ASN A 94 46.490 0.070 44.451 1.00 38.48 C ATOM 1398 OD1 ASN A 94 47.712 -0.086 44.501 1.00 42.85 O ATOM 1399 ND2 ASN A 94 45.661 -0.466 45.338 1.00 36.74 N ATOM 1400 HA ASN A 94 44.564 -0.587 42.500 1.00 0.00 H ATOM 1401 HB2 ASN A 94 46.599 1.623 43.002 1.00 0.00 H ATOM 1402 HB3 ASN A 94 45.011 1.446 43.785 1.00 0.00 H ATOM 1403 HD22 ASN A 94 44.637 -0.307 45.255 1.00 0.00 H ATOM 1404 HD21 ASN A 94 46.036 -1.045 46.116 1.00 0.00 H ATOM 1405 H ASN A 94 47.422 -0.553 41.874 1.00 0.00 H ATOM 1406 N CYS A 95 44.183 0.477 40.099 1.00 22.61 N ATOM 1407 CA CYS A 95 43.729 1.296 38.988 1.00 18.90 C ATOM 1408 C CYS A 95 42.651 2.277 39.444 1.00 20.13 C ATOM 1409 O CYS A 95 41.713 1.899 40.148 1.00 21.52 O ATOM 1410 CB CYS A 95 43.206 0.411 37.855 1.00 21.31 C ATOM 1411 SG CYS A 95 44.426 -0.789 37.248 1.00 21.63 S ATOM 1412 HA CYS A 95 44.576 1.872 38.616 1.00 0.00 H ATOM 1413 HB2 CYS A 95 42.910 1.052 37.025 1.00 0.00 H ATOM 1414 HB3 CYS A 95 42.336 -0.136 38.218 1.00 0.00 H ATOM 1415 H CYS A 95 43.982 -0.543 40.103 1.00 0.00 H ATOM 1416 N ALA A 96 42.793 3.536 39.041 1.00 20.40 N ATOM 1417 CA ALA A 96 41.834 4.570 39.425 1.00 19.49 C ATOM 1418 C ALA A 96 41.246 5.222 38.180 1.00 18.60 C ATOM 1419 O ALA A 96 41.943 5.396 37.182 1.00 19.60 O ATOM 1420 CB ALA A 96 42.496 5.609 40.317 1.00 26.95 C ATOM 1421 HA ALA A 96 41.025 4.107 39.991 1.00 0.00 H ATOM 1422 HB1 ALA A 96 42.874 5.125 41.218 1.00 0.00 H ATOM 1423 HB2 ALA A 96 43.322 6.075 39.779 1.00 0.00 H ATOM 1424 HB3 ALA A 96 41.765 6.369 40.591 1.00 0.00 H ATOM 1425 H ALA A 96 43.603 3.790 38.440 1.00 0.00 H ATOM 1426 N TYR A 97 39.970 5.586 38.253 1.00 18.97 N ATOM 1427 CA TYR A 97 39.221 6.048 37.092 1.00 16.12 C ATOM 1428 C TYR A 97 38.311 7.216 37.414 1.00 19.05 C ATOM 1429 O TYR A 97 37.752 7.300 38.511 1.00 19.00 O ATOM 1430 CB TYR A 97 38.367 4.907 36.530 1.00 13.72 C ATOM 1431 CG TYR A 97 39.180 3.803 35.926 1.00 16.03 C ATOM 1432 CD1 TYR A 97 39.571 2.710 36.686 1.00 15.31 C ATOM 1433 CD2 TYR A 97 39.570 3.854 34.590 1.00 18.83 C ATOM 1434 CE1 TYR A 97 40.324 1.701 36.141 1.00 11.01 C ATOM 1435 CE2 TYR A 97 40.329 2.848 34.035 1.00 16.37 C ATOM 1436 CZ TYR A 97 40.706 1.776 34.815 1.00 17.41 C ATOM 1437 OH TYR A 97 41.458 0.763 34.269 1.00 18.65 O ATOM 1438 HA TYR A 97 39.956 6.380 36.359 1.00 0.00 H ATOM 1439 HB3 TYR A 97 37.709 5.313 35.762 1.00 0.00 H ATOM 1440 HB2 TYR A 97 37.766 4.492 37.340 1.00 0.00 H ATOM 1441 HD2 TYR A 97 39.270 4.702 33.975 1.00 0.00 H ATOM 1442 HE2 TYR A 97 40.629 2.899 32.988 1.00 0.00 H ATOM 1443 HE1 TYR A 97 40.619 0.846 36.750 1.00 0.00 H ATOM 1444 HD1 TYR A 97 39.275 2.652 37.733 1.00 0.00 H ATOM 1445 HH TYR A 97 40.960 0.352 33.518 1.00 0.00 H ATOM 1446 H TYR A 97 39.488 5.539 39.173 1.00 0.00 H ATOM 1447 N LYS A 98 38.181 8.112 36.445 1.00 19.98 N ATOM 1448 CA LYS A 98 37.187 9.174 36.475 1.00 19.75 C ATOM 1449 C LYS A 98 35.916 8.632 35.834 1.00 20.98 C ATOM 1450 O LYS A 98 35.965 8.087 34.728 1.00 20.30 O ATOM 1451 CB LYS A 98 37.703 10.381 35.688 1.00 18.53 C ATOM 1452 CG LYS A 98 36.748 11.554 35.635 1.00 26.48 C ATOM 1453 CD LYS A 98 37.384 12.731 34.902 1.00 31.98 C ATOM 1454 CE LYS A 98 36.558 14.004 35.058 1.00 37.46 C ATOM 1455 NZ LYS A 98 37.156 15.156 34.312 1.00 30.79 N ATOM 1456 HA LYS A 98 36.988 9.492 37.498 1.00 0.00 H ATOM 1457 HB2 LYS A 98 38.630 10.718 36.151 1.00 0.00 H ATOM 1458 HB3 LYS A 98 37.905 10.060 34.666 1.00 0.00 H ATOM 1459 HG2 LYS A 98 35.840 11.254 35.112 1.00 0.00 H ATOM 1460 HG3 LYS A 98 36.497 11.858 36.651 1.00 0.00 H ATOM 1461 HD2 LYS A 98 38.381 12.904 35.308 1.00 0.00 H ATOM 1462 HD3 LYS A 98 37.462 12.488 33.842 1.00 0.00 H ATOM 1463 HE2 LYS A 98 36.502 14.260 36.116 1.00 0.00 H ATOM 1464 HE3 LYS A 98 35.553 13.821 34.677 1.00 0.00 H ATOM 1465 HZ1 LYS A 98 38.113 15.343 34.674 1.00 0.00 H ATOM 1466 HZ2 LYS A 98 37.207 14.923 33.300 1.00 0.00 H ATOM 1467 HZ3 LYS A 98 36.563 16.000 34.446 1.00 0.00 H ATOM 1468 H LYS A 98 38.819 8.053 35.626 1.00 0.00 H ATOM 1469 N THR A 99 34.793 8.769 36.535 1.00 16.08 N ATOM 1470 CA THR A 99 33.493 8.276 36.071 1.00 20.47 C ATOM 1471 C THR A 99 32.652 9.393 35.455 1.00 24.70 C ATOM 1472 O THR A 99 32.266 10.328 36.151 1.00 22.15 O ATOM 1473 CB THR A 99 32.699 7.664 37.248 1.00 20.80 C ATOM 1474 OG1 THR A 99 33.386 6.511 37.746 1.00 19.48 O ATOM 1475 CG2 THR A 99 31.283 7.269 36.826 1.00 18.61 C ATOM 1476 HA THR A 99 33.692 7.520 35.312 1.00 0.00 H ATOM 1477 HB THR A 99 32.622 8.421 38.029 1.00 0.00 H ATOM 1478 HG1 THR A 99 33.470 5.840 37.023 1.00 0.00 H ATOM 1479 HG23 THR A 99 30.760 8.147 36.447 1.00 0.00 H ATOM 1480 HG21 THR A 99 31.336 6.511 36.045 1.00 0.00 H ATOM 1481 HG22 THR A 99 30.747 6.869 37.687 1.00 0.00 H ATOM 1482 H THR A 99 34.840 9.249 37.456 1.00 0.00 H ATOM 1483 N THR A 100 32.364 9.307 34.156 1.00 14.70 N ATOM 1484 CA THR A 100 31.548 10.331 33.510 1.00 21.10 C ATOM 1485 C THR A 100 30.314 9.769 32.814 1.00 19.14 C ATOM 1486 O THR A 100 30.429 9.095 31.793 1.00 17.96 O ATOM 1487 CB THR A 100 32.333 11.132 32.456 1.00 22.48 C ATOM 1488 OG1 THR A 100 33.585 11.575 32.998 1.00 25.79 O ATOM 1489 CG2 THR A 100 31.518 12.340 32.014 1.00 23.28 C ATOM 1490 HA THR A 100 31.243 10.978 34.333 1.00 0.00 H ATOM 1491 HB THR A 100 32.524 10.486 31.599 1.00 0.00 H ATOM 1492 HG1 THR A 100 34.121 10.789 33.273 1.00 0.00 H ATOM 1493 HG23 THR A 100 30.567 12.004 31.602 1.00 0.00 H ATOM 1494 HG21 THR A 100 31.336 12.987 32.872 1.00 0.00 H ATOM 1495 HG22 THR A 100 32.071 12.891 31.253 1.00 0.00 H ATOM 1496 H THR A 100 32.723 8.505 33.599 1.00 0.00 H ATOM 1497 N GLN A 101 29.139 10.085 33.350 1.00 16.77 N ATOM 1498 CA GLN A 101 27.870 9.718 32.735 1.00 18.21 C ATOM 1499 C GLN A 101 27.524 10.663 31.581 1.00 20.92 C ATOM 1500 O GLN A 101 27.833 11.856 31.625 1.00 18.36 O ATOM 1501 CB GLN A 101 26.756 9.729 33.790 1.00 26.38 C ATOM 1502 CG GLN A 101 25.348 9.483 33.256 1.00 28.43 C ATOM 1503 CD GLN A 101 25.159 8.083 32.709 1.00 21.83 C ATOM 1504 OE1 GLN A 101 25.850 7.145 33.121 1.00 28.64 O ATOM 1505 NE2 GLN A 101 24.214 7.929 31.782 1.00 20.84 N ATOM 1506 HA GLN A 101 27.963 8.712 32.326 1.00 0.00 H ATOM 1507 HB2 GLN A 101 26.979 8.953 34.523 1.00 0.00 H ATOM 1508 HB3 GLN A 101 26.765 10.703 34.279 1.00 0.00 H ATOM 1509 HG2 GLN A 101 24.636 9.638 34.067 1.00 0.00 H ATOM 1510 HG3 GLN A 101 25.149 10.198 32.458 1.00 0.00 H ATOM 1511 HE22 GLN A 101 23.657 8.749 31.466 1.00 0.00 H ATOM 1512 HE21 GLN A 101 24.033 6.989 31.375 1.00 0.00 H ATOM 1513 H GLN A 101 29.125 10.616 34.244 1.00 0.00 H ATOM 1514 N ALA A 102 26.879 10.128 30.552 1.00 17.87 N ATOM 1515 CA ALA A 102 26.460 10.938 29.415 1.00 15.24 C ATOM 1516 C ALA A 102 25.315 10.277 28.668 1.00 11.41 C ATOM 1517 O ALA A 102 24.985 9.120 28.913 1.00 12.21 O ATOM 1518 CB ALA A 102 27.636 11.182 28.470 1.00 21.34 C ATOM 1519 HA ALA A 102 26.110 11.897 29.796 1.00 0.00 H ATOM 1520 HB1 ALA A 102 28.428 11.705 29.006 1.00 0.00 H ATOM 1521 HB2 ALA A 102 28.012 10.226 28.105 1.00 0.00 H ATOM 1522 HB3 ALA A 102 27.304 11.788 27.627 1.00 0.00 H ATOM 1523 H ALA A 102 26.668 9.110 30.557 1.00 0.00 H ATOM 1524 N ASN A 103 24.695 11.034 27.771 1.00 11.25 N ATOM 1525 CA ASN A 103 23.710 10.492 26.854 1.00 16.27 C ATOM 1526 C ASN A 103 24.127 10.831 25.436 1.00 14.26 C ATOM 1527 O ASN A 103 24.117 11.989 25.025 1.00 13.76 O ATOM 1528 CB ASN A 103 22.324 11.044 27.154 1.00 13.17 C ATOM 1529 CG ASN A 103 21.811 10.607 28.504 1.00 19.73 C ATOM 1530 OD1 ASN A 103 22.033 11.280 29.512 1.00 28.00 O ATOM 1531 ND2 ASN A 103 21.128 9.469 28.537 1.00 18.69 N ATOM 1532 HA ASN A 103 23.661 9.410 26.973 1.00 0.00 H ATOM 1533 HB2 ASN A 103 22.368 12.133 27.132 1.00 0.00 H ATOM 1534 HB3 ASN A 103 21.634 10.694 26.387 1.00 0.00 H ATOM 1535 HD22 ASN A 103 20.965 8.935 27.660 1.00 0.00 H ATOM 1536 HD21 ASN A 103 20.756 9.112 29.440 1.00 0.00 H ATOM 1537 H ASN A 103 24.923 12.048 27.724 1.00 0.00 H ATOM 1538 N LYS A 104 24.523 9.809 24.696 1.00 12.22 N ATOM 1539 CA LYS A 104 25.168 10.013 23.414 1.00 14.86 C ATOM 1540 C LYS A 104 24.872 8.831 22.517 1.00 11.35 C ATOM 1541 O LYS A 104 24.473 7.765 22.990 1.00 11.98 O ATOM 1542 CB LYS A 104 26.687 10.121 23.598 1.00 12.88 C ATOM 1543 CG LYS A 104 27.191 11.436 24.198 1.00 16.75 C ATOM 1544 CD LYS A 104 28.696 11.391 24.394 1.00 21.84 C ATOM 1545 CE LYS A 104 29.237 12.738 24.856 1.00 22.64 C ATOM 1546 NZ LYS A 104 30.716 12.693 24.979 1.00 22.14 N ATOM 1547 HA LYS A 104 24.790 10.933 22.969 1.00 0.00 H ATOM 1548 HB2 LYS A 104 27.004 9.310 24.254 1.00 0.00 H ATOM 1549 HB3 LYS A 104 27.153 9.999 22.620 1.00 0.00 H ATOM 1550 HG2 LYS A 104 26.941 12.256 23.525 1.00 0.00 H ATOM 1551 HG3 LYS A 104 26.709 11.599 25.162 1.00 0.00 H ATOM 1552 HD2 LYS A 104 28.934 10.637 25.144 1.00 0.00 H ATOM 1553 HD3 LYS A 104 29.169 11.124 23.449 1.00 0.00 H ATOM 1554 HE2 LYS A 104 28.804 12.985 25.825 1.00 0.00 H ATOM 1555 HE3 LYS A 104 28.961 13.503 24.131 1.00 0.00 H ATOM 1556 HZ1 LYS A 104 30.983 11.966 25.673 1.00 0.00 H ATOM 1557 HZ2 LYS A 104 31.133 12.461 24.055 1.00 0.00 H ATOM 1558 HZ3 LYS A 104 31.065 13.620 25.295 1.00 0.00 H ATOM 1559 H LYS A 104 24.369 8.840 25.041 1.00 0.00 H ATOM 1560 N HIS A 105 25.079 9.017 21.219 1.00 12.54 N ATOM 1561 CA HIS A 105 24.928 7.923 20.280 1.00 7.48 C ATOM 1562 C HIS A 105 26.147 7.021 20.398 1.00 8.00 C ATOM 1563 O HIS A 105 27.277 7.507 20.475 1.00 12.48 O ATOM 1564 CB HIS A 105 24.814 8.474 18.853 1.00 9.78 C ATOM 1565 CG HIS A 105 23.665 9.419 18.675 1.00 12.36 C ATOM 1566 ND1 HIS A 105 22.437 9.015 18.205 1.00 12.69 N ATOM 1567 CD2 HIS A 105 23.552 10.740 18.950 1.00 13.87 C ATOM 1568 CE1 HIS A 105 21.613 10.053 18.186 1.00 13.25 C ATOM 1569 NE2 HIS A 105 22.266 11.109 18.626 1.00 14.58 N ATOM 1570 HA HIS A 105 24.024 7.356 20.503 1.00 0.00 H ATOM 1571 HB2 HIS A 105 25.737 9.001 18.610 1.00 0.00 H ATOM 1572 HB3 HIS A 105 24.684 7.637 18.167 1.00 0.00 H ATOM 1573 HD2 HIS A 105 24.331 11.388 19.352 1.00 0.00 H ATOM 1574 HE1 HIS A 105 20.573 10.036 17.862 1.00 0.00 H ATOM 1575 H HIS A 105 25.353 9.958 20.872 1.00 0.00 H ATOM 1576 N ILE A 106 25.953 5.711 20.418 1.00 8.30 N ATOM 1577 CA ILE A 106 27.147 4.861 20.468 1.00 7.57 C ATOM 1578 C ILE A 106 27.496 4.376 19.075 1.00 8.88 C ATOM 1579 O ILE A 106 26.627 4.302 18.205 1.00 5.88 O ATOM 1580 CB ILE A 106 26.999 3.674 21.438 1.00 10.20 C ATOM 1581 CG1 ILE A 106 25.916 2.701 20.948 1.00 12.18 C ATOM 1582 CG2 ILE A 106 26.691 4.175 22.848 1.00 10.77 C ATOM 1583 CD1 ILE A 106 25.868 1.410 21.733 1.00 10.48 C ATOM 1584 HA ILE A 106 27.961 5.473 20.855 1.00 0.00 H ATOM 1585 HB ILE A 106 27.944 3.132 21.468 1.00 0.00 H ATOM 1586 HG12 ILE A 106 24.947 3.192 21.031 1.00 0.00 H ATOM 1587 HG13 ILE A 106 26.113 2.463 19.903 1.00 0.00 H ATOM 1588 HD11 ILE A 106 26.828 0.900 21.651 1.00 0.00 H ATOM 1589 HD12 ILE A 106 25.661 1.630 22.780 1.00 0.00 H ATOM 1590 HD13 ILE A 106 25.081 0.772 21.332 1.00 0.00 H ATOM 1591 HG21 ILE A 106 27.504 4.815 23.190 1.00 0.00 H ATOM 1592 HG22 ILE A 106 25.761 4.743 22.835 1.00 0.00 H ATOM 1593 HG23 ILE A 106 26.590 3.323 23.521 1.00 0.00 H ATOM 1594 H ILE A 106 24.996 5.303 20.399 1.00 0.00 H ATOM 1595 N ILE A 107 28.773 4.076 18.857 1.00 6.59 N ATOM 1596 CA ILE A 107 29.190 3.402 17.630 1.00 4.73 C ATOM 1597 C ILE A 107 29.866 2.076 18.006 1.00 8.18 C ATOM 1598 O ILE A 107 30.852 2.062 18.740 1.00 6.18 O ATOM 1599 CB ILE A 107 30.150 4.273 16.803 1.00 4.38 C ATOM 1600 CG1 ILE A 107 29.458 5.567 16.376 1.00 6.34 C ATOM 1601 CG2 ILE A 107 30.660 3.515 15.581 1.00 6.24 C ATOM 1602 CD1 ILE A 107 30.422 6.646 15.871 1.00 7.38 C ATOM 1603 HA ILE A 107 28.311 3.217 17.013 1.00 0.00 H ATOM 1604 HB ILE A 107 31.007 4.523 17.429 1.00 0.00 H ATOM 1605 HG12 ILE A 107 28.754 5.333 15.577 1.00 0.00 H ATOM 1606 HG13 ILE A 107 28.914 5.965 17.233 1.00 0.00 H ATOM 1607 HD11 ILE A 107 31.127 6.901 16.662 1.00 0.00 H ATOM 1608 HD12 ILE A 107 30.967 6.269 15.006 1.00 0.00 H ATOM 1609 HD13 ILE A 107 29.856 7.533 15.587 1.00 0.00 H ATOM 1610 HG21 ILE A 107 31.191 2.620 15.906 1.00 0.00 H ATOM 1611 HG22 ILE A 107 29.816 3.231 14.953 1.00 0.00 H ATOM 1612 HG23 ILE A 107 31.337 4.155 15.015 1.00 0.00 H ATOM 1613 H ILE A 107 29.486 4.325 19.572 1.00 0.00 H ATOM 1614 N VAL A 108 29.333 0.964 17.510 1.00 6.83 N ATOM 1615 CA VAL A 108 29.922 -0.350 17.789 1.00 4.54 C ATOM 1616 C VAL A 108 30.322 -1.046 16.484 1.00 7.51 C ATOM 1617 O VAL A 108 29.787 -0.729 15.425 1.00 8.03 O ATOM 1618 CB VAL A 108 28.931 -1.230 18.576 1.00 5.66 C ATOM 1619 CG1 VAL A 108 28.636 -0.583 19.949 1.00 5.15 C ATOM 1620 CG2 VAL A 108 27.622 -1.407 17.776 1.00 7.38 C ATOM 1621 HA VAL A 108 30.816 -0.202 18.395 1.00 0.00 H ATOM 1622 HB VAL A 108 29.375 -2.213 18.734 1.00 0.00 H ATOM 1623 HG11 VAL A 108 29.564 -0.491 20.513 1.00 0.00 H ATOM 1624 HG12 VAL A 108 28.201 0.405 19.798 1.00 0.00 H ATOM 1625 HG13 VAL A 108 27.935 -1.209 20.501 1.00 0.00 H ATOM 1626 HG21 VAL A 108 27.171 -0.431 17.600 1.00 0.00 H ATOM 1627 HG22 VAL A 108 27.843 -1.884 16.821 1.00 0.00 H ATOM 1628 HG23 VAL A 108 26.932 -2.031 18.344 1.00 0.00 H ATOM 1629 H VAL A 108 28.483 1.027 16.914 1.00 0.00 H ATOM 1630 N ALA A 109 31.294 -1.954 16.564 1.00 6.08 N ATOM 1631 CA ALA A 109 31.649 -2.820 15.443 1.00 5.32 C ATOM 1632 C ALA A 109 30.877 -4.110 15.636 1.00 6.16 C ATOM 1633 O ALA A 109 30.821 -4.635 16.747 1.00 7.70 O ATOM 1634 CB ALA A 109 33.150 -3.104 15.435 1.00 7.69 C ATOM 1635 HA ALA A 109 31.403 -2.346 14.493 1.00 0.00 H ATOM 1636 HB1 ALA A 109 33.696 -2.165 15.342 1.00 0.00 H ATOM 1637 HB2 ALA A 109 33.430 -3.598 16.365 1.00 0.00 H ATOM 1638 HB3 ALA A 109 33.392 -3.751 14.592 1.00 0.00 H ATOM 1639 H ALA A 109 31.819 -2.049 17.457 1.00 0.00 H ATOM 1640 N CYS A 110 30.283 -4.608 14.554 1.00 5.38 N ATOM 1641 CA CYS A 110 29.498 -5.834 14.605 1.00 4.40 C ATOM 1642 C CYS A 110 30.074 -6.904 13.689 1.00 6.38 C ATOM 1643 O CYS A 110 30.560 -6.607 12.591 1.00 6.42 O ATOM 1644 CB CYS A 110 28.057 -5.549 14.193 1.00 10.07 C ATOM 1645 SG CYS A 110 27.295 -4.260 15.160 1.00 7.16 S ATOM 1646 HA CYS A 110 29.529 -6.202 15.631 1.00 0.00 H ATOM 1647 HB2 CYS A 110 27.475 -6.463 14.312 1.00 0.00 H ATOM 1648 HB3 CYS A 110 28.048 -5.248 13.145 1.00 0.00 H ATOM 1649 H CYS A 110 30.382 -4.108 13.647 1.00 0.00 H ATOM 1650 N GLU A 111 29.978 -8.151 14.128 1.00 6.29 N ATOM 1651 CA GLU A 111 30.501 -9.284 13.375 1.00 4.32 C ATOM 1652 C GLU A 111 29.682 -10.522 13.663 1.00 6.41 C ATOM 1653 O GLU A 111 29.013 -10.600 14.698 1.00 7.78 O ATOM 1654 CB GLU A 111 31.931 -9.606 13.802 1.00 5.52 C ATOM 1655 CG GLU A 111 32.999 -8.633 13.291 1.00 7.68 C ATOM 1656 CD GLU A 111 34.398 -9.167 13.535 1.00 18.86 C ATOM 1657 OE1 GLU A 111 34.699 -9.567 14.676 1.00 22.81 O ATOM 1658 OE2 GLU A 111 35.185 -9.217 12.583 1.00 23.69 O ATOM 1659 HA GLU A 111 30.462 -9.014 12.320 1.00 0.00 H ATOM 1660 HB2 GLU A 111 31.966 -9.604 14.891 1.00 0.00 H ATOM 1661 HB3 GLU A 111 32.177 -10.602 13.433 1.00 0.00 H ATOM 1662 HG2 GLU A 111 32.859 -8.482 12.221 1.00 0.00 H ATOM 1663 HG3 GLU A 111 32.888 -7.680 13.809 1.00 0.00 H ATOM 1664 H GLU A 111 29.513 -8.327 15.042 1.00 0.00 H ATOM 1665 N GLY A 112 29.798 -11.510 12.776 1.00 4.95 N ATOM 1666 CA GLY A 112 29.265 -12.838 13.041 1.00 10.76 C ATOM 1667 C GLY A 112 27.874 -13.145 12.526 1.00 13.86 C ATOM 1668 O GLY A 112 27.216 -12.302 11.916 1.00 10.51 O ATOM 1669 HA3 GLY A 112 29.252 -12.976 14.122 1.00 0.00 H ATOM 1670 HA2 GLY A 112 29.947 -13.560 12.592 1.00 0.00 H ATOM 1671 H GLY A 112 30.281 -11.328 11.873 1.00 0.00 H ATOM 1672 N ASN A 113 27.454 -14.392 12.749 1.00 15.55 N ATOM 1673 CA ASN A 113 26.074 -14.824 12.558 1.00 17.83 C ATOM 1674 C ASN A 113 25.639 -15.566 13.831 1.00 18.48 C ATOM 1675 O ASN A 113 26.087 -16.687 14.072 1.00 17.83 O ATOM 1676 CB ASN A 113 25.964 -15.730 11.330 1.00 17.07 C ATOM 1677 CG ASN A 113 24.524 -16.024 10.939 1.00 19.19 C ATOM 1678 OD1 ASN A 113 23.583 -15.570 11.585 1.00 17.84 O ATOM 1679 ND2 ASN A 113 24.349 -16.765 9.849 1.00 33.38 N ATOM 1680 HA ASN A 113 25.423 -13.967 12.385 1.00 0.00 H ATOM 1681 HB2 ASN A 113 26.460 -15.241 10.491 1.00 0.00 H ATOM 1682 HB3 ASN A 113 26.465 -16.673 11.547 1.00 0.00 H ATOM 1683 HD22 ASN A 113 25.173 -17.130 9.331 1.00 0.00 H ATOM 1684 HD21 ASN A 113 23.388 -16.979 9.515 1.00 0.00 H ATOM 1685 H ASN A 113 28.148 -15.094 13.077 1.00 0.00 H ATOM 1686 N PRO A 114 24.777 -14.942 14.657 1.00 16.85 N ATOM 1687 CA PRO A 114 24.082 -13.680 14.400 1.00 13.86 C ATOM 1688 C PRO A 114 25.020 -12.472 14.473 1.00 12.54 C ATOM 1689 O PRO A 114 26.068 -12.536 15.118 1.00 11.06 O ATOM 1690 CB PRO A 114 23.055 -13.616 15.528 1.00 19.50 C ATOM 1691 CG PRO A 114 23.717 -14.317 16.647 1.00 20.09 C ATOM 1692 CD PRO A 114 24.492 -15.444 16.013 1.00 19.33 C ATOM 1693 HA PRO A 114 23.651 -13.647 13.400 1.00 0.00 H ATOM 1694 HD3 PRO A 114 25.415 -15.639 16.559 1.00 0.00 H ATOM 1695 HD2 PRO A 114 23.895 -16.355 15.974 1.00 0.00 H ATOM 1696 HG3 PRO A 114 22.976 -14.708 17.344 1.00 0.00 H ATOM 1697 HG2 PRO A 114 24.390 -13.642 17.176 1.00 0.00 H ATOM 1698 HB2 PRO A 114 22.833 -12.582 15.794 1.00 0.00 H ATOM 1699 HB3 PRO A 114 22.133 -14.122 15.243 1.00 0.00 H ATOM 1700 N TYR A 115 24.641 -11.413 13.768 1.00 14.06 N ATOM 1701 CA TYR A 115 25.439 -10.191 13.648 1.00 11.41 C ATOM 1702 C TYR A 115 25.224 -9.357 14.888 1.00 9.47 C ATOM 1703 O TYR A 115 24.144 -8.801 15.080 1.00 11.10 O ATOM 1704 CB TYR A 115 24.950 -9.407 12.448 1.00 10.84 C ATOM 1705 CG TYR A 115 25.936 -8.434 11.837 1.00 7.14 C ATOM 1706 CD1 TYR A 115 27.200 -8.846 11.436 1.00 9.00 C ATOM 1707 CD2 TYR A 115 25.578 -7.107 11.619 1.00 7.83 C ATOM 1708 CE1 TYR A 115 28.095 -7.945 10.840 1.00 9.02 C ATOM 1709 CE2 TYR A 115 26.462 -6.207 11.022 1.00 6.28 C ATOM 1710 CZ TYR A 115 27.717 -6.629 10.641 1.00 8.52 C ATOM 1711 OH TYR A 115 28.596 -5.743 10.020 1.00 8.44 O ATOM 1712 HA TYR A 115 26.494 -10.437 13.532 1.00 0.00 H ATOM 1713 HB3 TYR A 115 24.071 -8.841 12.756 1.00 0.00 H ATOM 1714 HB2 TYR A 115 24.667 -10.123 11.676 1.00 0.00 H ATOM 1715 HD2 TYR A 115 24.588 -6.764 11.920 1.00 0.00 H ATOM 1716 HE2 TYR A 115 26.160 -5.173 10.858 1.00 0.00 H ATOM 1717 HE1 TYR A 115 29.086 -8.281 10.534 1.00 0.00 H ATOM 1718 HD1 TYR A 115 27.501 -9.883 11.586 1.00 0.00 H ATOM 1719 HH TYR A 115 28.191 -5.412 9.180 1.00 0.00 H ATOM 1720 H TYR A 115 23.727 -11.453 13.274 1.00 0.00 H ATOM 1721 N VAL A 116 26.256 -9.265 15.720 1.00 7.83 N ATOM 1722 CA VAL A 116 26.139 -8.659 17.046 1.00 8.21 C ATOM 1723 C VAL A 116 27.363 -7.796 17.368 1.00 8.89 C ATOM 1724 O VAL A 116 28.397 -7.904 16.711 1.00 7.71 O ATOM 1725 CB VAL A 116 25.988 -9.754 18.133 1.00 8.42 C ATOM 1726 CG1 VAL A 116 24.628 -10.449 18.004 1.00 10.38 C ATOM 1727 CG2 VAL A 116 27.128 -10.758 18.029 1.00 8.54 C ATOM 1728 HA VAL A 116 25.251 -8.026 17.041 1.00 0.00 H ATOM 1729 HB VAL A 116 26.035 -9.286 19.116 1.00 0.00 H ATOM 1730 HG11 VAL A 116 23.833 -9.714 18.126 1.00 0.00 H ATOM 1731 HG12 VAL A 116 24.549 -10.911 17.020 1.00 0.00 H ATOM 1732 HG13 VAL A 116 24.538 -11.215 18.774 1.00 0.00 H ATOM 1733 HG21 VAL A 116 27.110 -11.226 17.045 1.00 0.00 H ATOM 1734 HG22 VAL A 116 28.078 -10.243 18.170 1.00 0.00 H ATOM 1735 HG23 VAL A 116 27.010 -11.521 18.798 1.00 0.00 H ATOM 1736 H VAL A 116 27.179 -9.637 15.418 1.00 0.00 H ATOM 1737 N PRO A 117 27.245 -6.919 18.374 1.00 8.24 N ATOM 1738 CA PRO A 117 28.403 -6.067 18.628 1.00 6.20 C ATOM 1739 C PRO A 117 29.588 -6.845 19.207 1.00 8.43 C ATOM 1740 O PRO A 117 29.416 -7.701 20.084 1.00 9.79 O ATOM 1741 CB PRO A 117 27.864 -5.019 19.618 1.00 9.40 C ATOM 1742 CG PRO A 117 26.363 -5.047 19.435 1.00 6.64 C ATOM 1743 CD PRO A 117 26.058 -6.494 19.142 1.00 8.58 C ATOM 1744 HA PRO A 117 28.801 -5.624 17.715 1.00 0.00 H ATOM 1745 HD3 PRO A 117 25.956 -7.070 20.062 1.00 0.00 H ATOM 1746 HD2 PRO A 117 25.148 -6.594 18.550 1.00 0.00 H ATOM 1747 HG3 PRO A 117 26.062 -4.411 18.603 1.00 0.00 H ATOM 1748 HG2 PRO A 117 25.856 -4.720 20.343 1.00 0.00 H ATOM 1749 HB2 PRO A 117 28.131 -5.284 20.641 1.00 0.00 H ATOM 1750 HB3 PRO A 117 28.261 -4.031 19.385 1.00 0.00 H ATOM 1751 N VAL A 118 30.780 -6.558 18.692 1.00 6.31 N ATOM 1752 CA VAL A 118 32.005 -7.150 19.217 1.00 6.98 C ATOM 1753 C VAL A 118 33.055 -6.118 19.657 1.00 9.06 C ATOM 1754 O VAL A 118 34.049 -6.486 20.270 1.00 9.16 O ATOM 1755 CB VAL A 118 32.650 -8.122 18.218 1.00 7.08 C ATOM 1756 CG1 VAL A 118 31.791 -9.357 18.045 1.00 7.09 C ATOM 1757 CG2 VAL A 118 32.874 -7.433 16.882 1.00 6.08 C ATOM 1758 HA VAL A 118 31.682 -7.695 20.104 1.00 0.00 H ATOM 1759 HB VAL A 118 33.617 -8.434 18.613 1.00 0.00 H ATOM 1760 HG11 VAL A 118 31.681 -9.859 19.006 1.00 0.00 H ATOM 1761 HG12 VAL A 118 30.809 -9.066 17.671 1.00 0.00 H ATOM 1762 HG13 VAL A 118 32.266 -10.032 17.333 1.00 0.00 H ATOM 1763 HG21 VAL A 118 31.917 -7.095 16.484 1.00 0.00 H ATOM 1764 HG22 VAL A 118 33.533 -6.576 17.022 1.00 0.00 H ATOM 1765 HG23 VAL A 118 33.332 -8.135 16.185 1.00 0.00 H ATOM 1766 H VAL A 118 30.840 -5.894 17.894 1.00 0.00 H ATOM 1767 N HIS A 119 32.869 -4.840 19.337 1.00 8.21 N ATOM 1768 CA HIS A 119 33.788 -3.829 19.874 1.00 12.08 C ATOM 1769 C HIS A 119 33.021 -2.540 20.101 1.00 10.92 C ATOM 1770 O HIS A 119 32.051 -2.267 19.398 1.00 8.09 O ATOM 1771 CB HIS A 119 34.969 -3.546 18.935 1.00 12.98 C ATOM 1772 CG HIS A 119 35.808 -4.746 18.612 1.00 19.35 C ATOM 1773 ND1 HIS A 119 36.638 -5.348 19.535 1.00 19.70 N ATOM 1774 CD2 HIS A 119 35.965 -5.439 17.459 1.00 17.06 C ATOM 1775 CE1 HIS A 119 37.254 -6.371 18.970 1.00 21.51 C ATOM 1776 NE2 HIS A 119 36.864 -6.449 17.711 1.00 21.71 N ATOM 1777 HA HIS A 119 34.196 -4.218 20.807 1.00 0.00 H ATOM 1778 HB2 HIS A 119 34.574 -3.145 18.002 1.00 0.00 H ATOM 1779 HB3 HIS A 119 35.609 -2.800 19.407 1.00 0.00 H ATOM 1780 HD2 HIS A 119 35.471 -5.235 16.509 1.00 0.00 H ATOM 1781 HE1 HIS A 119 37.964 -7.038 19.460 1.00 0.00 H ATOM 1782 H HIS A 119 32.083 -4.561 18.715 1.00 0.00 H ATOM 1783 N PHE A 120 33.460 -1.745 21.075 1.00 5.37 N ATOM 1784 CA PHE A 120 32.902 -0.412 21.263 1.00 5.45 C ATOM 1785 C PHE A 120 33.866 0.589 20.620 1.00 6.42 C ATOM 1786 O PHE A 120 35.007 0.710 21.048 1.00 8.38 O ATOM 1787 CB PHE A 120 32.704 -0.097 22.753 1.00 9.07 C ATOM 1788 CG PHE A 120 31.875 1.140 23.006 1.00 6.68 C ATOM 1789 CD1 PHE A 120 32.453 2.404 22.951 1.00 9.58 C ATOM 1790 CD2 PHE A 120 30.524 1.034 23.292 1.00 7.72 C ATOM 1791 CE1 PHE A 120 31.696 3.547 23.176 1.00 10.27 C ATOM 1792 CE2 PHE A 120 29.749 2.175 23.516 1.00 11.91 C ATOM 1793 CZ PHE A 120 30.334 3.428 23.462 1.00 9.83 C ATOM 1794 HA PHE A 120 31.920 -0.350 20.795 1.00 0.00 H ATOM 1795 HB2 PHE A 120 32.207 -0.947 23.222 1.00 0.00 H ATOM 1796 HB3 PHE A 120 33.684 0.046 23.208 1.00 0.00 H ATOM 1797 HD2 PHE A 120 30.060 0.049 23.343 1.00 0.00 H ATOM 1798 HE2 PHE A 120 28.685 2.078 23.733 1.00 0.00 H ATOM 1799 HZ PHE A 120 29.734 4.320 23.642 1.00 0.00 H ATOM 1800 HE1 PHE A 120 32.162 4.531 23.130 1.00 0.00 H ATOM 1801 HD1 PHE A 120 33.516 2.499 22.728 1.00 0.00 H ATOM 1802 H PHE A 120 34.212 -2.080 21.711 1.00 0.00 H ATOM 1803 N ASP A 121 33.417 1.295 19.587 1.00 5.31 N ATOM 1804 CA ASP A 121 34.331 2.112 18.798 1.00 7.78 C ATOM 1805 C ASP A 121 34.393 3.552 19.304 1.00 7.96 C ATOM 1806 O ASP A 121 35.479 4.122 19.429 1.00 10.22 O ATOM 1807 CB ASP A 121 33.942 2.101 17.322 1.00 7.96 C ATOM 1808 CG ASP A 121 35.112 2.414 16.414 1.00 12.38 C ATOM 1809 OD1 ASP A 121 36.189 1.788 16.596 1.00 8.85 O ATOM 1810 OD2 ASP A 121 34.943 3.270 15.513 1.00 9.45 O ATOM 1811 HA ASP A 121 35.321 1.670 18.909 1.00 0.00 H ATOM 1812 HB2 ASP A 121 33.557 1.113 17.069 1.00 0.00 H ATOM 1813 HB3 ASP A 121 33.163 2.846 17.159 1.00 0.00 H ATOM 1814 H ASP A 121 32.407 1.264 19.340 1.00 0.00 H ATOM 1815 N ALA A 122 33.231 4.121 19.618 1.00 5.56 N ATOM 1816 CA ALA A 122 33.155 5.529 20.004 1.00 8.24 C ATOM 1817 C ALA A 122 31.761 5.928 20.472 1.00 11.23 C ATOM 1818 O ALA A 122 30.790 5.206 20.281 1.00 7.53 O ATOM 1819 CB ALA A 122 33.562 6.408 18.829 1.00 7.43 C ATOM 1820 HA ALA A 122 33.839 5.671 20.841 1.00 0.00 H ATOM 1821 HB1 ALA A 122 34.584 6.169 18.535 1.00 0.00 H ATOM 1822 HB2 ALA A 122 32.889 6.226 17.991 1.00 0.00 H ATOM 1823 HB3 ALA A 122 33.503 7.456 19.123 1.00 0.00 H ATOM 1824 H ALA A 122 32.360 3.553 19.588 1.00 0.00 H ATOM 1825 N SER A 123 31.665 7.104 21.085 1.00 9.14 N ATOM 1826 CA SER A 123 30.370 7.709 21.335 1.00 11.35 C ATOM 1827 C SER A 123 30.407 9.109 20.748 1.00 13.69 C ATOM 1828 O SER A 123 31.435 9.776 20.807 1.00 16.12 O ATOM 1829 CB SER A 123 30.075 7.773 22.830 1.00 13.88 C ATOM 1830 OG SER A 123 31.002 8.618 23.475 1.00 19.38 O ATOM 1831 HA SER A 123 29.582 7.113 20.876 1.00 0.00 H ATOM 1832 HB2 SER A 123 30.145 6.771 23.254 1.00 0.00 H ATOM 1833 HB3 SER A 123 29.068 8.161 22.982 1.00 0.00 H ATOM 1834 HG SER A 123 31.917 8.266 23.340 1.00 0.00 H ATOM 1835 H SER A 123 32.529 7.596 21.389 1.00 0.00 H ATOM 1836 N VAL A 124 29.298 9.543 20.163 1.00 12.09 N ATOM 1837 CA VAL A 124 29.245 10.860 19.545 1.00 13.49 C ATOM 1838 C VAL A 124 28.038 11.672 20.011 1.00 14.91 C ATOM 1839 O VAL A 124 27.044 11.156 20.529 1.00 17.19 O ATOM 1840 CB VAL A 124 29.250 10.790 18.005 1.00 13.00 C ATOM 1841 CG1 VAL A 124 30.500 10.075 17.492 1.00 20.06 C ATOM 1842 CG2 VAL A 124 27.989 10.122 17.491 1.00 13.21 C ATOM 1843 HA VAL A 124 30.153 11.367 19.871 1.00 0.00 H ATOM 1844 OXT VAL A 124 28.035 12.888 19.853 1.00 16.17 O ATOM 1845 HB VAL A 124 29.270 11.810 17.621 1.00 0.00 H ATOM 1846 HG11 VAL A 124 31.387 10.616 17.820 1.00 0.00 H ATOM 1847 HG12 VAL A 124 30.525 9.060 17.888 1.00 0.00 H ATOM 1848 HG13 VAL A 124 30.476 10.041 16.403 1.00 0.00 H ATOM 1849 HG21 VAL A 124 27.928 9.109 17.889 1.00 0.00 H ATOM 1850 HG22 VAL A 124 27.119 10.694 17.814 1.00 0.00 H ATOM 1851 HG23 VAL A 124 28.017 10.085 16.402 1.00 0.00 H ATOM 1852 H VAL A 124 28.455 8.934 20.146 1.00 0.00 H TER 1853 VAL A 124 HETATM 1854 O HOH 1 47.261 1.848 32.134 1.00 23.77 O HETATM 1855 O HOH 2 35.574 5.711 39.542 1.00 15.61 O HETATM 1856 O HOH 3 24.286 -5.766 31.673 1.00 15.66 O HETATM 1857 O HOH 4 37.881 0.861 14.966 1.00 10.23 O HETATM 1858 O HOH 5 18.365 0.295 19.500 1.00 13.25 O HETATM 1859 O HOH 6 17.761 -6.557 19.133 1.00 16.33 O HETATM 1860 O HOH 7 29.329 9.895 13.545 1.00 11.13 O HETATM 1861 O HOH 8 25.606 -10.209 22.353 1.00 12.33 O HETATM 1862 O HOH 9 36.817 -1.703 14.884 1.00 10.92 O HETATM 1863 O HOH 10 34.494 8.189 21.766 1.00 16.09 O HETATM 1864 O HOH 11 39.221 -6.684 6.200 1.00 30.43 O HETATM 1865 O HOH 12 35.172 -5.634 14.089 1.00 9.53 O HETATM 1866 O HOH 13 27.613 -14.025 16.652 1.00 13.08 O HETATM 1867 O HOH 14 31.127 -13.758 19.077 1.00 14.30 O HETATM 1868 O HOH 15 34.638 -5.421 23.691 1.00 12.37 O HETATM 1869 O HOH 16 23.728 11.681 31.625 1.00 29.17 O HETATM 1870 O HOH 17 27.715 -8.717 22.071 1.00 9.96 O HETATM 1871 O HOH 18 29.914 -12.365 16.888 1.00 12.08 O HETATM 1872 O HOH 19 17.165 0.112 26.652 1.00 16.45 O HETATM 1873 O HOH 20 42.978 2.890 8.854 1.00 34.64 O HETATM 1874 O HOH 21 38.891 -3.394 16.005 1.00 27.01 O HETATM 1875 O HOH 22 24.751 -7.890 28.717 1.00 21.39 O HETATM 1876 O HOH 23 26.733 -14.417 19.176 1.00 16.95 O HETATM 1877 O HOH 24 20.549 5.256 8.224 1.00 10.45 O HETATM 1878 O HOH 25 40.850 -0.771 7.834 1.00 25.94 O HETATM 1879 O HOH 26 22.082 -11.697 12.442 1.00 21.17 O HETATM 1880 O HOH 27 34.309 -15.301 19.254 1.00 20.37 O HETATM 1881 O HOH 28 29.896 -11.962 29.021 1.00 15.48 O HETATM 1882 O HOH 29 20.774 -5.897 14.988 1.00 18.19 O HETATM 1883 O HOH 30 21.840 -8.391 13.835 1.00 22.30 O HETATM 1884 O HOH 31 21.950 0.093 7.905 1.00 26.78 O HETATM 1885 O HOH 32 34.750 -8.389 22.040 1.00 15.82 O HETATM 1886 O HOH 33 29.478 14.692 18.724 1.00 21.61 O HETATM 1887 O HOH 34 37.726 0.481 20.145 1.00 22.96 O HETATM 1888 O HOH 35 19.033 3.763 18.592 1.00 17.20 O HETATM 1889 O HOH 36 25.614 -0.259 4.805 1.00 16.57 O HETATM 1890 O HOH 37 41.296 1.317 26.417 1.00 22.24 O HETATM 1891 O HOH 38 35.428 9.880 32.573 1.00 19.23 O HETATM 1892 O HOH 39 38.430 -12.934 25.866 1.00 29.08 O HETATM 1893 O HOH 40 36.165 -3.283 12.931 1.00 14.62 O HETATM 1894 O HOH 41 36.608 -11.668 13.598 1.00 18.09 O HETATM 1895 O HOH 42 17.447 -7.321 26.341 1.00 21.90 O HETATM 1896 O HOH 43 32.023 -16.201 28.427 1.00 26.31 O HETATM 1897 O HOH 44 32.469 7.092 24.929 1.00 20.10 O HETATM 1898 O HOH 45 24.978 -16.652 19.530 1.00 28.82 O HETATM 1899 O HOH 46 25.495 8.600 36.928 1.00 26.08 O HETATM 1900 O HOH 47 28.378 14.389 30.866 1.00 32.62 O HETATM 1901 O HOH 48 40.096 1.099 16.419 1.00 22.33 O HETATM 1902 O HOH 49 18.502 6.582 27.179 1.00 26.81 O HETATM 1903 O HOH 50 34.911 9.647 39.218 1.00 26.74 O HETATM 1904 O HOH 51 30.271 -6.216 37.590 1.00 27.51 O HETATM 1905 O HOH 52 24.177 -1.477 6.714 1.00 17.93 O HETATM 1906 O HOH 53 22.071 12.495 9.923 1.00 28.10 O HETATM 1907 O HOH 54 22.466 -6.067 7.188 1.00 36.30 O HETATM 1908 O HOH 55 38.097 2.704 18.656 1.00 22.43 O HETATM 1909 O HOH 56 28.928 -1.091 40.989 1.00 31.75 O HETATM 1910 O HOH 57 37.031 9.998 40.548 1.00 26.02 O HETATM 1911 O HOH 58 17.255 8.216 23.599 1.00 22.06 O HETATM 1912 O HOH 59 23.602 -12.705 25.229 1.00 24.76 O HETATM 1913 O HOH 60 22.760 8.724 15.070 1.00 21.22 O HETATM 1914 O HOH 61 22.786 -7.710 16.991 1.00 19.37 O HETATM 1915 O HOH 62 41.212 6.846 13.557 1.00 23.69 O HETATM 1916 O HOH 63 34.384 -10.862 16.555 1.00 26.80 O HETATM 1917 O HOH 64 28.562 9.783 43.244 1.00 24.73 O HETATM 1918 O HOH 65 20.825 -9.739 17.328 1.00 29.97 O HETATM 1919 O HOH 66 29.411 -15.724 19.991 1.00 23.19 O HETATM 1920 O HOH 67 25.061 13.860 27.813 1.00 19.48 O HETATM 1921 O HOH 68 25.280 5.218 6.678 1.00 21.05 O HETATM 1922 O HOH 69 21.123 -12.424 18.599 1.00 22.71 O HETATM 1923 O HOH 70 29.780 -16.526 13.695 1.00 24.65 O HETATM 1924 O HOH 71 23.189 -4.687 9.478 1.00 20.94 O HETATM 1925 O HOH 72 28.892 -15.882 15.576 1.00 22.31 O HETATM 1926 O HOH 73 30.886 -3.342 40.663 1.00 34.37 O HETATM 1927 O HOH 74 29.347 -1.795 4.882 1.00 28.27 O HETATM 1928 O HOH 75 37.646 -7.735 15.339 1.00 33.23 O HETATM 1929 O HOH 76 36.656 -14.311 19.034 1.00 36.83 O HETATM 1930 O HOH 77 30.824 6.897 7.683 1.00 20.66 O HETATM 1931 O HOH 78 25.359 -12.636 20.979 1.00 15.43 O HETATM 1932 O HOH 79 40.311 0.570 21.827 1.00 25.42 O HETATM 1933 O HOH 80 17.735 2.775 20.850 1.00 15.61 O HETATM 1934 O HOH 81 30.727 -4.029 6.312 1.00 22.75 O HETATM 1935 O HOH 82 22.799 -13.406 20.167 1.00 20.05 O HETATM 1936 O HOH 83 35.791 -2.547 43.981 1.00 27.45 O HETATM 1937 O HOH 84 21.450 -12.744 26.985 1.00 27.12 O HETATM 1938 O HOH 85 34.437 3.381 4.705 1.00 14.77 O HETATM 1939 O HOH 86 30.511 2.191 3.702 1.00 37.45 O HETATM 1940 O HOH 87 34.201 9.825 16.890 1.00 18.02 O HETATM 1941 O HOH 88 53.145 -0.591 37.844 1.00 30.25 O HETATM 1942 O HOH 89 48.762 0.590 33.326 1.00 33.18 O HETATM 1943 O HOH 90 18.763 1.152 9.510 1.00 15.86 O HETATM 1944 O HOH 91 32.414 -16.204 12.960 1.00 17.94 O HETATM 1945 O HOH 92 33.123 -15.553 17.234 1.00 21.70 O HETATM 1946 O HOH 93 29.676 12.369 14.429 1.00 16.72 O HETATM 1947 O HOH 94 32.355 -13.449 29.611 1.00 25.96 O HETATM 1948 O HOH 95 38.117 10.217 15.478 1.00 17.23 O HETATM 1949 O HOH 96 22.350 9.923 8.634 1.00 17.32 O HETATM 1950 O HOH 97 40.562 1.237 4.780 1.00 22.12 O HETATM 1951 O HOH 98 19.900 8.492 26.325 1.00 24.42 O HETATM 1952 O HOH 99 26.535 -7.682 31.089 1.00 22.08 O HETATM 1953 O HOH 100 31.032 -17.237 25.711 1.00 17.90 O HETATM 1954 O HOH 101 43.679 6.619 10.328 1.00 23.25 O HETATM 1955 O HOH 102 42.467 -2.524 14.301 1.00 31.61 O HETATM 1956 O HOH 103 25.249 -1.065 37.615 1.00 30.32 O HETATM 1957 O HOH 104 40.745 10.916 34.040 1.00 31.97 O HETATM 1958 O HOH 105 36.026 -3.433 6.517 1.00 21.08 O HETATM 1959 O HOH 106 23.066 -1.589 38.550 1.00 35.91 O HETATM 1960 O HOH 107 35.795 -0.834 17.282 1.00 10.83 O HETATM 1961 O HOH 108 39.281 7.661 23.691 1.00 31.23 O HETATM 1962 O HOH 109 36.785 -9.469 20.968 1.00 31.37 O HETATM 1963 O HOH 110 39.798 -7.739 17.639 1.00 30.63 O HETATM 1964 O HOH 111 42.307 -7.618 20.913 1.00 31.08 O HETATM 1965 O HOH 112 30.197 -5.193 4.145 1.00 29.49 O HETATM 1966 O HOH 113 27.046 -13.132 24.868 1.00 29.00 O HETATM 1967 O HOH 114 23.188 -13.827 23.015 1.00 46.92 O HETATM 1968 O HOH 115 33.061 10.006 19.463 1.00 27.11 O HETATM 1969 O HOH 116 17.909 -2.447 14.461 1.00 19.72 O HETATM 1970 O HOH 117 21.721 -12.325 22.964 1.00 24.00 O HETATM 1971 O HOH 118 18.739 -9.211 19.739 1.00 26.49 O HETATM 1972 O HOH 119 28.331 -15.750 22.633 1.00 23.76 O HETATM 1973 O HOH 120 28.850 9.060 8.695 1.00 27.53 O HETATM 1974 O HOH 121 26.442 11.248 37.427 1.00 28.08 O HETATM 1975 O HOH 122 34.929 -3.980 42.321 1.00 24.81 O HETATM 1976 O HOH 123 26.275 -14.375 23.074 1.00 24.22 O HETATM 1977 O HOH 124 34.861 10.744 19.580 1.00 29.39 O HETATM 1978 C4 UNN A 125 35.404 4.591 23.835 1.00 0.15 C HETATM 1979 C5 UNN A 125 36.606 4.439 23.171 1.00 -0.04 C HETATM 1980 C6 UNN A 125 37.306 3.271 23.355 1.00 0.04 C HETATM 1981 N1 UNN A 125 36.791 2.276 24.157 1.00 -0.25 N HETATM 1982 C7 UNN A 125 37.616 1.103 24.339 1.00 0.07 C HETATM 1983 C8 UNN A 125 37.307 -0.369 23.945 1.00 0.06 C HETATM 1984 C9 UNN A 125 37.592 -1.006 22.720 1.00 0.07 C HETATM 1985 N7 UNN A 125 37.148 -2.337 22.880 1.00 -0.15 N HETATM 1986 N6 UNN A 125 36.712 -2.516 24.070 1.00 -0.10 N HETATM 1987 N5 UNN A 125 36.775 -1.377 24.743 1.00 -0.22 N HETATM 1988 C1' UNN A 125 37.292 -3.318 21.862 1.00 0.22 C HETATM 1989 O4' UNN A 125 37.170 -4.637 22.337 1.00 -0.33 O HETATM 1990 C4' UNN A 125 38.491 -5.143 22.721 1.00 0.11 C HETATM 1991 C5' UNN A 125 38.792 -6.421 21.978 1.00 0.07 C HETATM 1992 O5' UNN A 125 40.100 -6.391 21.418 1.00 -0.39 O HETATM 1993 H15 UNN A 125 40.264 -7.205 20.957 1.00 0.21 H HETATM 1994 H13 UNN A 125 38.057 -6.548 21.169 1.00 0.06 H HETATM 1995 H14 UNN A 125 38.719 -7.268 22.676 1.00 0.06 H HETATM 1996 C3' UNN A 125 39.453 -3.980 22.455 1.00 0.11 C HETATM 1997 O3' UNN A 125 39.771 -3.237 23.626 1.00 -0.39 O HETATM 1998 H17 UNN A 125 38.975 -2.873 23.995 1.00 0.21 H HETATM 1999 C2' UNN A 125 38.724 -3.165 21.391 1.00 0.14 C HETATM 2000 O2' UNN A 125 38.843 -3.774 20.112 1.00 -0.38 O HETATM 2001 H19 UNN A 125 38.465 -4.645 20.141 1.00 0.21 H HETATM 2002 H18 UNN A 125 39.058 -2.118 21.360 1.00 0.07 H HETATM 2003 H16 UNN A 125 40.396 -4.367 22.041 1.00 0.06 H HETATM 2004 H12 UNN A 125 38.504 -5.371 23.797 1.00 0.06 H HETATM 2005 H11 UNN A 125 36.571 -3.140 21.051 1.00 0.10 H HETATM 2006 H5 UNN A 125 38.056 -0.566 21.838 1.00 0.09 H HETATM 2007 H3 UNN A 125 38.552 1.339 23.811 1.00 0.06 H HETATM 2008 H4 UNN A 125 37.806 1.065 25.422 1.00 0.06 H HETATM 2009 C2 UNN A 125 35.649 2.467 24.802 1.00 0.29 C HETATM 2010 N3 UNN A 125 34.946 3.609 24.631 1.00 -0.21 N HETATM 2011 H6 UNN A 125 34.072 3.725 25.104 1.00 0.22 H HETATM 2012 O2 UNN A 125 35.196 1.615 25.516 1.00 -0.39 O HETATM 2013 H1 UNN A 125 38.281 3.549 23.782 1.00 0.06 H HETATM 2014 H2 UNN A 125 37.454 2.830 22.358 1.00 0.06 H HETATM 2015 C5A UNN A 125 37.110 5.517 22.294 1.00 -0.06 C HETATM 2016 H8 UNN A 125 36.395 6.353 22.293 1.00 0.03 H HETATM 2017 H9 UNN A 125 37.225 5.133 21.270 1.00 0.03 H HETATM 2018 H10 UNN A 125 38.084 5.867 22.666 1.00 0.03 H HETATM 2019 O4 UNN A 125 34.681 5.749 23.672 1.00 -0.33 O HETATM 2020 H7 UNN A 125 34.571 6.173 24.515 1.00 0.24 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 1978 1979 2010 2019 CONECT 1979 1978 1980 2015 CONECT 1980 1979 1981 2013 2014 CONECT 1981 1980 1982 2009 CONECT 1982 1981 1983 2007 2008 CONECT 1983 1982 1984 1987 CONECT 1984 1983 1985 2006 CONECT 1985 1984 1986 1988 CONECT 1986 1985 1987 CONECT 1987 1983 1986 CONECT 1988 1985 1989 1999 2005 CONECT 1989 1988 1990 CONECT 1990 1989 1991 1996 2004 CONECT 1991 1990 1992 1994 1995 CONECT 1992 1991 1993 CONECT 1993 1992 CONECT 1994 1991 CONECT 1995 1991 CONECT 1996 1990 1997 1999 2003 CONECT 1997 1996 1998 CONECT 1998 1997 CONECT 1999 1988 1996 2000 2002 CONECT 2000 1999 2001 CONECT 2001 2000 CONECT 2002 1999 CONECT 2003 1996 CONECT 2004 1990 CONECT 2005 1988 CONECT 2006 1984 CONECT 2007 1982 CONECT 2008 1982 CONECT 2009 1981 2010 2012 CONECT 2010 1978 2009 2011 CONECT 2011 2010 CONECT 2012 2009 CONECT 2013 1980 CONECT 2014 1980 CONECT 2015 1979 2016 2017 2018 CONECT 2016 2015 CONECT 2017 2015 CONECT 2018 2015 CONECT 2019 1978 2020 CONECT 2020 2019 MASTER 0 0 0 0 0 0 0 0 2019 1 55 10 END
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1o0n
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PDBbind
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1o0o
RCSB PDB
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1qhc
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1rnm
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124aa, >1RPF_1|Chain... at 99%
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124aa, >1W4P_1|Chains... at 99%
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124aa, >1Z6D_1|Chains... at 99%
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2g8r
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2w5g
RCSB PDB
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3d7b
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4g8y
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Ribonuclease pancreatic
Ligand Name
0FT
EC.Number
E.C.3.1.27.5
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Ki=25.8uM
Release Year
2012
Protein/NA Sequence
Check fasta file
Primary Reference
(2012) Bioorg.Med.Chem. Vol. 20: pp. 7184-7193
Ligand Properties
Formula
C
1
3
H
1
9
N
5
O
6
Molecular Weight
341.320
Exact Mass
341.134
No. of atoms
43
No. of bonds
45
Polar Surface Area
153.2
LOGP Value
-2.99 (
Computed with XLOGP3
)
-1.53 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 3
Canonical SMILES
OC[C@@H]1O[C@H]([C@@H]([C@H]1O)O)n1nnc(c1)CN1CC(=C(NC1=O)O)C
InChI String
InChI=1S/C13H19N5O6/c1-6-2-17(13(23)14-11(6)22)3-7-4-18(16-15-7)12-10(21)9(20)8(5-19)24-12/h4,8-10,12,19-22H,2-3,5H2,1H3,(H,14,23)/t8-,9-,10+,12+/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P61823
Entrez Gene ID
NCBI Entrez Gene ID:
282340
ASD
Information of known allosteric effects of PDB entries
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