Browse entries in the PDBbind-CN Database
HEADER 3W8O_COMPLEX COMPND 3W8O_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 184 MET SER ILE SER ILE SER TYR SER THR THR TYR SER GLY SEQRES 2 A 184 TRP THR VAL ALA ASP TYR LEU ALA ASP TRP SER ALA TYR SEQRES 3 A 184 PHE GLY ASP VAL ASN HIS ARG PRO GLY GLN VAL VAL ASP SEQRES 4 A 184 GLY SER ASN THR GLY GLY PHE ASN PRO GLY PRO PHE ASP SEQRES 5 A 184 GLY SER GLN TYR ALA LEU LYS SER THR ALA SER ASP ALA SEQRES 6 A 184 ALA PHE ILE ALA GLY GLY ASP LEU HIS TYR THR LEU PHE SEQRES 7 A 184 SER ASN PRO SER HIS THR LEU TRP GLY LYS LEU ASP SER SEQRES 8 A 184 ILE ALA LEU GLY ASP THR LEU THR GLY GLY ALA SER SER SEQRES 9 A 184 GLY GLY TYR ALA LEU ASP SER GLN GLU VAL SER PHE SER SEQRES 10 A 184 ASN LEU GLY LEU ASP SER PRO ILE ALA GLN GLY ARG ASP SEQRES 11 A 184 GLY THR VAL HIS LYS VAL VAL TYR GLY LEU MET SER GLY SEQRES 12 A 184 ASP SER SER ALA LEU GLN GLY GLN ILE ASP ALA LEU LEU SEQRES 13 A 184 LYS ALA VAL ASP PRO SER LEU SER ILE ASN SER THR PHE SEQRES 14 A 184 ASP GLN LEU ALA ALA ALA GLY VAL ALA HIS ALA THR PRO SEQRES 15 A 184 ALA ALA HET WPC A 359 59 ATOM 1 N MET A 1 46.450 -31.574 -7.833 1.00 54.70 N ATOM 2 CA MET A 1 46.536 -31.049 -6.437 1.00 56.43 C ATOM 3 C MET A 1 47.963 -31.175 -5.886 1.00 48.72 C ATOM 4 O MET A 1 48.782 -31.921 -6.424 1.00 47.70 O ATOM 5 CB MET A 1 45.548 -31.793 -5.520 1.00 62.02 C ATOM 6 CG MET A 1 44.172 -31.139 -5.442 1.00 69.90 C ATOM 7 SD MET A 1 44.195 -29.518 -4.616 1.00 79.96 S ATOM 8 CE MET A 1 43.674 -29.968 -2.957 1.00 79.48 C ATOM 9 HN3 MET A 1 46.723 -32.577 -7.842 1.00 0.00 H ATOM 10 HN2 MET A 1 47.093 -31.033 -8.446 1.00 0.00 H ATOM 11 HN1 MET A 1 45.474 -31.476 -8.179 1.00 0.00 H ATOM 12 N SER A 2 48.239 -30.451 -4.797 1.00 40.13 N ATOM 13 CA SER A 2 49.597 -30.345 -4.261 1.00 36.00 C ATOM 14 C SER A 2 49.891 -31.422 -3.219 1.00 27.48 C ATOM 15 O SER A 2 48.995 -32.131 -2.769 1.00 24.75 O ATOM 16 CB SER A 2 49.812 -28.966 -3.649 1.00 38.45 C ATOM 17 OG SER A 2 48.646 -28.521 -3.004 1.00 41.89 O ATOM 18 HG SER A 2 48.807 -27.625 -2.614 1.00 0.00 H ATOM 19 H SER A 2 47.466 -29.948 -4.316 1.00 0.00 H ATOM 20 N ILE A 3 51.152 -31.523 -2.836 1.00 24.32 N ATOM 21 CA ILE A 3 51.591 -32.531 -1.897 1.00 22.81 C ATOM 22 C ILE A 3 50.739 -32.515 -0.641 1.00 23.22 C ATOM 23 O ILE A 3 50.294 -31.451 -0.178 1.00 20.76 O ATOM 24 CB ILE A 3 53.078 -32.348 -1.529 1.00 23.87 C ATOM 25 CG1 ILE A 3 53.572 -33.534 -0.705 1.00 22.95 C ATOM 26 CG2 ILE A 3 53.286 -31.041 -0.767 1.00 24.85 C ATOM 27 CD1 ILE A 3 55.068 -33.602 -0.578 1.00 23.34 C ATOM 28 H ILE A 3 51.851 -30.856 -3.222 1.00 0.00 H ATOM 29 N SER A 4 50.442 -33.698 -0.136 1.00 21.69 N ATOM 30 CA SER A 4 49.650 -33.837 1.046 1.00 23.55 C ATOM 31 C SER A 4 50.315 -34.845 1.964 1.00 22.52 C ATOM 32 O SER A 4 50.740 -35.918 1.518 1.00 22.60 O ATOM 33 CB SER A 4 48.242 -34.292 0.683 1.00 23.58 C ATOM 34 OG SER A 4 47.509 -34.645 1.844 1.00 29.09 O ATOM 35 HG SER A 4 46.600 -34.937 1.583 1.00 0.00 H ATOM 36 H SER A 4 50.794 -34.553 -0.612 1.00 0.00 H ATOM 37 N ILE A 5 50.460 -34.475 3.236 1.00 20.61 N ATOM 38 CA ILE A 5 51.275 -35.223 4.167 1.00 19.93 C ATOM 39 C ILE A 5 50.464 -35.651 5.391 1.00 21.67 C ATOM 40 O ILE A 5 49.655 -34.869 5.936 1.00 19.99 O ATOM 41 CB ILE A 5 52.501 -34.392 4.637 1.00 20.83 C ATOM 42 CG1 ILE A 5 53.422 -34.101 3.446 1.00 21.57 C ATOM 43 CG2 ILE A 5 53.248 -35.120 5.732 1.00 20.01 C ATOM 44 CD1 ILE A 5 54.636 -33.251 3.769 1.00 22.97 C ATOM 45 H ILE A 5 49.971 -33.620 3.570 1.00 0.00 H ATOM 46 N SER A 6 50.697 -36.886 5.823 1.00 20.44 N ATOM 47 CA SER A 6 50.121 -37.416 7.054 1.00 20.89 C ATOM 48 C SER A 6 51.247 -37.714 8.003 1.00 20.91 C ATOM 49 O SER A 6 52.269 -38.257 7.601 1.00 22.17 O ATOM 50 CB SER A 6 49.324 -38.715 6.757 1.00 21.57 C ATOM 51 OG SER A 6 48.731 -39.230 7.931 1.00 22.96 O ATOM 52 HG SER A 6 48.110 -38.557 8.308 1.00 0.00 H ATOM 53 H SER A 6 51.317 -37.501 5.259 1.00 0.00 H ATOM 54 N TYR A 7 51.094 -37.314 9.266 1.00 22.83 N ATOM 55 CA TYR A 7 52.109 -37.621 10.296 1.00 23.22 C ATOM 56 C TYR A 7 51.480 -37.921 11.637 1.00 24.74 C ATOM 57 O TYR A 7 50.445 -37.335 12.013 1.00 23.91 O ATOM 58 CB TYR A 7 53.124 -36.466 10.443 1.00 25.88 C ATOM 59 CG TYR A 7 52.518 -35.175 10.966 1.00 24.54 C ATOM 60 CD1 TYR A 7 51.821 -34.346 10.137 1.00 24.97 C ATOM 61 CD2 TYR A 7 52.703 -34.776 12.294 1.00 24.78 C ATOM 62 CE1 TYR A 7 51.264 -33.179 10.595 1.00 25.78 C ATOM 63 CE2 TYR A 7 52.144 -33.612 12.768 1.00 24.00 C ATOM 64 CZ TYR A 7 51.427 -32.813 11.911 1.00 24.93 C ATOM 65 OH TYR A 7 50.872 -31.641 12.344 1.00 22.20 O ATOM 66 HH TYR A 7 51.587 -31.042 12.677 1.00 0.00 H ATOM 67 H TYR A 7 50.245 -36.776 9.531 1.00 0.00 H ATOM 68 N SER A 8 52.053 -38.894 12.318 1.00 25.41 N ATOM 69 CA SER A 8 51.678 -39.206 13.669 1.00 28.13 C ATOM 70 C SER A 8 52.066 -38.028 14.569 1.00 29.46 C ATOM 71 O SER A 8 53.124 -37.444 14.385 1.00 25.81 O ATOM 72 CB SER A 8 52.408 -40.468 14.120 1.00 28.25 C ATOM 73 OG SER A 8 52.620 -40.456 15.506 1.00 36.57 O ATOM 74 HG SER A 8 53.094 -41.283 15.773 1.00 0.00 H ATOM 75 H SER A 8 52.801 -39.454 11.862 1.00 0.00 H ATOM 76 N THR A 9 51.213 -37.714 15.561 1.00 31.14 N ATOM 77 CA THR A 9 51.470 -36.562 16.470 1.00 30.45 C ATOM 78 C THR A 9 52.840 -36.664 17.125 1.00 29.35 C ATOM 79 O THR A 9 53.413 -35.661 17.520 1.00 29.90 O ATOM 80 CB THR A 9 50.401 -36.444 17.578 1.00 31.01 C ATOM 81 OG1 THR A 9 50.338 -37.656 18.317 1.00 30.87 O ATOM 82 CG2 THR A 9 49.042 -36.144 16.991 1.00 33.09 C ATOM 83 HG1 THR A 9 49.651 -37.574 19.025 1.00 0.00 H ATOM 84 H THR A 9 50.356 -38.288 15.696 1.00 0.00 H ATOM 85 N THR A 10 53.367 -37.884 17.226 1.00 27.51 N ATOM 86 CA THR A 10 54.738 -38.091 17.672 1.00 26.10 C ATOM 87 C THR A 10 55.702 -37.103 17.013 1.00 28.48 C ATOM 88 O THR A 10 56.601 -36.579 17.656 1.00 27.38 O ATOM 89 CB THR A 10 55.220 -39.512 17.357 1.00 25.97 C ATOM 90 OG1 THR A 10 54.388 -40.454 18.021 1.00 28.54 O ATOM 91 CG2 THR A 10 56.669 -39.714 17.799 1.00 26.15 C ATOM 92 HG1 THR A 10 54.701 -41.371 17.816 1.00 0.00 H ATOM 93 H THR A 10 52.784 -38.710 16.980 1.00 0.00 H ATOM 94 N TYR A 11 55.531 -36.883 15.719 1.00 27.85 N ATOM 95 CA TYR A 11 56.524 -36.159 14.951 1.00 27.26 C ATOM 96 C TYR A 11 56.173 -34.672 14.808 1.00 27.55 C ATOM 97 O TYR A 11 56.775 -33.973 14.015 1.00 26.43 O ATOM 98 CB TYR A 11 56.687 -36.803 13.582 1.00 25.83 C ATOM 99 CG TYR A 11 57.047 -38.266 13.664 1.00 24.93 C ATOM 100 CD1 TYR A 11 58.326 -38.661 13.988 1.00 23.31 C ATOM 101 CD2 TYR A 11 56.080 -39.253 13.475 1.00 23.84 C ATOM 102 CE1 TYR A 11 58.663 -40.005 14.084 1.00 25.67 C ATOM 103 CE2 TYR A 11 56.395 -40.596 13.601 1.00 24.11 C ATOM 104 CZ TYR A 11 57.685 -40.970 13.875 1.00 24.43 C ATOM 105 OH TYR A 11 58.004 -42.316 13.985 1.00 24.15 O ATOM 106 HH TYR A 11 58.969 -42.410 14.184 1.00 0.00 H ATOM 107 H TYR A 11 54.673 -37.234 15.247 1.00 0.00 H ATOM 108 N SER A 12 55.201 -34.205 15.599 1.00 30.08 N ATOM 109 CA SER A 12 54.646 -32.850 15.437 1.00 32.09 C ATOM 110 C SER A 12 55.746 -31.811 15.369 1.00 33.85 C ATOM 111 O SER A 12 55.717 -30.917 14.528 1.00 35.02 O ATOM 112 CB SER A 12 53.697 -32.516 16.599 1.00 34.44 C ATOM 113 OG SER A 12 52.358 -32.836 16.272 1.00 37.00 O ATOM 114 HG SER A 12 52.080 -32.316 15.477 1.00 0.00 H ATOM 115 H SER A 12 54.826 -34.817 16.351 1.00 0.00 H ATOM 116 N GLY A 13 56.718 -31.935 16.255 1.00 34.25 N ATOM 117 CA GLY A 13 57.778 -30.950 16.372 1.00 32.98 C ATOM 118 C GLY A 13 59.041 -31.361 15.656 1.00 29.61 C ATOM 119 O GLY A 13 60.044 -30.674 15.722 1.00 31.40 O ATOM 120 H GLY A 13 56.724 -32.761 16.886 1.00 0.00 H ATOM 121 N TRP A 14 58.995 -32.496 14.972 1.00 27.73 N ATOM 122 CA TRP A 14 60.130 -32.958 14.174 1.00 25.32 C ATOM 123 C TRP A 14 60.144 -32.236 12.832 1.00 25.15 C ATOM 124 O TRP A 14 59.091 -31.862 12.322 1.00 25.31 O ATOM 125 CB TRP A 14 60.024 -34.464 13.928 1.00 26.61 C ATOM 126 CG TRP A 14 60.391 -35.291 15.115 1.00 24.35 C ATOM 127 CD1 TRP A 14 59.734 -35.349 16.312 1.00 25.93 C ATOM 128 CD2 TRP A 14 61.523 -36.120 15.238 1.00 23.62 C ATOM 129 NE1 TRP A 14 60.390 -36.199 17.169 1.00 25.49 N ATOM 130 CE2 TRP A 14 61.489 -36.692 16.530 1.00 23.14 C ATOM 131 CE3 TRP A 14 62.556 -36.475 14.372 1.00 22.22 C ATOM 132 CZ2 TRP A 14 62.453 -37.561 16.972 1.00 25.26 C ATOM 133 CZ3 TRP A 14 63.501 -37.352 14.808 1.00 24.15 C ATOM 134 CH2 TRP A 14 63.450 -37.891 16.099 1.00 23.79 C ATOM 135 HE1 TRP A 14 60.098 -36.428 18.141 1.00 0.00 H ATOM 136 H TRP A 14 58.130 -33.072 15.004 1.00 0.00 H ATOM 137 N THR A 15 61.324 -32.090 12.242 1.00 25.46 N ATOM 138 CA THR A 15 61.426 -31.662 10.827 1.00 24.81 C ATOM 139 C THR A 15 61.405 -32.863 9.908 1.00 24.32 C ATOM 140 O THR A 15 61.851 -33.949 10.282 1.00 23.08 O ATOM 141 CB THR A 15 62.722 -30.862 10.536 1.00 25.81 C ATOM 142 OG1 THR A 15 63.845 -31.745 10.500 1.00 25.88 O ATOM 143 CG2 THR A 15 62.946 -29.763 11.584 1.00 26.46 C ATOM 144 HG1 THR A 15 64.666 -31.225 10.314 1.00 0.00 H ATOM 145 H THR A 15 62.192 -32.279 12.782 1.00 0.00 H ATOM 146 N VAL A 16 60.938 -32.655 8.682 1.00 23.04 N ATOM 147 CA VAL A 16 60.861 -33.754 7.690 1.00 21.88 C ATOM 148 C VAL A 16 62.257 -34.308 7.411 1.00 23.04 C ATOM 149 O VAL A 16 62.446 -35.510 7.295 1.00 19.26 O ATOM 150 CB VAL A 16 60.220 -33.284 6.365 1.00 21.14 C ATOM 151 CG1 VAL A 16 59.884 -34.482 5.479 1.00 21.40 C ATOM 152 CG2 VAL A 16 58.965 -32.454 6.640 1.00 20.96 C ATOM 153 H VAL A 16 60.620 -31.702 8.413 1.00 0.00 H ATOM 154 N ALA A 17 63.243 -33.420 7.360 1.00 24.77 N ATOM 155 CA ALA A 17 64.634 -33.829 7.194 1.00 24.84 C ATOM 156 C ALA A 17 65.142 -34.752 8.341 1.00 25.71 C ATOM 157 O ALA A 17 65.761 -35.776 8.078 1.00 26.58 O ATOM 158 CB ALA A 17 65.522 -32.605 7.085 1.00 28.08 C ATOM 159 H ALA A 17 63.018 -32.408 7.440 1.00 0.00 H ATOM 160 N ASP A 18 64.935 -34.331 9.601 1.00 27.60 N ATOM 161 CA ASP A 18 65.330 -35.149 10.762 1.00 27.92 C ATOM 162 C ASP A 18 64.624 -36.509 10.669 1.00 26.76 C ATOM 163 O ASP A 18 65.268 -37.578 10.751 1.00 29.08 O ATOM 164 CB ASP A 18 64.924 -34.469 12.077 1.00 29.27 C ATOM 165 CG ASP A 18 65.860 -33.319 12.473 1.00 28.79 C ATOM 166 OD1 ASP A 18 66.955 -33.183 11.853 1.00 24.46 O ATOM 167 OD2 ASP A 18 65.481 -32.553 13.414 1.00 26.99 O ATOM 168 H ASP A 18 64.486 -33.407 9.760 1.00 0.00 H ATOM 169 N TYR A 19 63.313 -36.462 10.474 1.00 24.82 N ATOM 170 CA TYR A 19 62.510 -37.668 10.452 1.00 24.48 C ATOM 171 C TYR A 19 63.023 -38.659 9.418 1.00 22.84 C ATOM 172 O TYR A 19 63.207 -39.851 9.726 1.00 24.56 O ATOM 173 CB TYR A 19 61.049 -37.355 10.174 1.00 23.32 C ATOM 174 CG TYR A 19 60.273 -38.584 9.838 1.00 23.02 C ATOM 175 CD1 TYR A 19 59.996 -39.532 10.816 1.00 23.81 C ATOM 176 CD2 TYR A 19 59.932 -38.877 8.521 1.00 23.68 C ATOM 177 CE1 TYR A 19 59.337 -40.708 10.506 1.00 24.96 C ATOM 178 CE2 TYR A 19 59.266 -40.056 8.195 1.00 24.04 C ATOM 179 CZ TYR A 19 58.973 -40.967 9.187 1.00 24.57 C ATOM 180 OH TYR A 19 58.318 -42.146 8.876 1.00 25.69 O ATOM 181 HH TYR A 19 58.189 -42.678 9.701 1.00 0.00 H ATOM 182 H TYR A 19 62.852 -35.540 10.334 1.00 0.00 H ATOM 183 N LEU A 20 63.223 -38.190 8.182 1.00 22.94 N ATOM 184 CA LEU A 20 63.548 -39.096 7.063 1.00 22.24 C ATOM 185 C LEU A 20 64.942 -39.645 7.192 1.00 23.96 C ATOM 186 O LEU A 20 65.212 -40.764 6.770 1.00 22.95 O ATOM 187 CB LEU A 20 63.396 -38.387 5.704 1.00 22.75 C ATOM 188 CG LEU A 20 61.970 -38.243 5.178 1.00 22.96 C ATOM 189 CD1 LEU A 20 61.948 -37.445 3.874 1.00 23.45 C ATOM 190 CD2 LEU A 20 61.319 -39.602 4.975 1.00 22.36 C ATOM 191 H LEU A 20 63.148 -37.168 8.006 1.00 0.00 H ATOM 192 N ALA A 21 65.853 -38.827 7.726 1.00 24.26 N ATOM 193 CA ALA A 21 67.201 -39.273 8.049 1.00 25.01 C ATOM 194 C ALA A 21 67.149 -40.402 9.072 1.00 23.10 C ATOM 195 O ALA A 21 67.770 -41.433 8.891 1.00 27.20 O ATOM 196 CB ALA A 21 68.031 -38.095 8.601 1.00 24.78 C ATOM 197 H ALA A 21 65.591 -37.839 7.917 1.00 0.00 H ATOM 198 N ASP A 22 66.410 -40.178 10.160 1.00 25.04 N ATOM 199 CA ASP A 22 66.242 -41.201 11.183 1.00 23.78 C ATOM 200 C ASP A 22 65.560 -42.468 10.586 1.00 24.62 C ATOM 201 O ASP A 22 66.046 -43.576 10.769 1.00 23.17 O ATOM 202 CB ASP A 22 65.438 -40.657 12.391 1.00 24.54 C ATOM 203 CG ASP A 22 66.359 -40.167 13.559 1.00 25.85 C ATOM 204 OD1 ASP A 22 67.561 -39.935 13.317 1.00 26.73 O ATOM 205 OD2 ASP A 22 65.857 -40.003 14.694 1.00 26.50 O ATOM 206 H ASP A 22 65.945 -39.255 10.280 1.00 0.00 H ATOM 207 N TRP A 23 64.470 -42.279 9.841 1.00 25.12 N ATOM 208 CA TRP A 23 63.723 -43.434 9.296 1.00 25.09 C ATOM 209 C TRP A 23 64.590 -44.305 8.358 1.00 24.37 C ATOM 210 O TRP A 23 64.624 -45.526 8.491 1.00 21.70 O ATOM 211 CB TRP A 23 62.468 -42.992 8.571 1.00 26.44 C ATOM 212 CG TRP A 23 61.580 -44.158 8.229 1.00 27.74 C ATOM 213 CD1 TRP A 23 60.615 -44.712 9.022 1.00 28.14 C ATOM 214 CD2 TRP A 23 61.667 -44.977 7.070 1.00 26.59 C ATOM 215 NE1 TRP A 23 60.058 -45.810 8.397 1.00 29.99 N ATOM 216 CE2 TRP A 23 60.691 -45.998 7.201 1.00 28.26 C ATOM 217 CE3 TRP A 23 62.465 -44.949 5.921 1.00 25.96 C ATOM 218 CZ2 TRP A 23 60.481 -46.950 6.222 1.00 27.67 C ATOM 219 CZ3 TRP A 23 62.254 -45.897 4.950 1.00 27.27 C ATOM 220 CH2 TRP A 23 61.272 -46.894 5.108 1.00 26.48 C ATOM 221 HE1 TRP A 23 59.286 -46.396 8.774 1.00 0.00 H ATOM 222 H TRP A 23 64.143 -41.312 9.642 1.00 0.00 H ATOM 223 N SER A 24 65.298 -43.671 7.430 1.00 22.83 N ATOM 224 CA SER A 24 66.068 -44.413 6.432 1.00 23.07 C ATOM 225 C SER A 24 67.215 -45.214 7.054 1.00 23.34 C ATOM 226 O SER A 24 67.560 -46.300 6.568 1.00 22.71 O ATOM 227 CB SER A 24 66.608 -43.472 5.360 1.00 23.71 C ATOM 228 OG SER A 24 65.717 -43.394 4.276 1.00 23.53 O ATOM 229 HG SER A 24 66.084 -42.780 3.592 1.00 0.00 H ATOM 230 H SER A 24 65.305 -42.631 7.413 1.00 0.00 H ATOM 231 N ALA A 25 67.806 -44.687 8.123 1.00 23.24 N ATOM 232 CA ALA A 25 68.855 -45.407 8.821 1.00 23.01 C ATOM 233 C ALA A 25 68.240 -46.582 9.605 1.00 20.66 C ATOM 234 O ALA A 25 68.837 -47.608 9.730 1.00 20.45 O ATOM 235 CB ALA A 25 69.614 -44.471 9.759 1.00 24.23 C ATOM 236 H ALA A 25 67.513 -43.749 8.462 1.00 0.00 H ATOM 237 N TYR A 26 67.019 -46.378 10.093 1.00 21.23 N ATOM 238 CA TYR A 26 66.259 -47.415 10.820 1.00 21.32 C ATOM 239 C TYR A 26 65.819 -48.543 9.850 1.00 21.41 C ATOM 240 O TYR A 26 66.032 -49.718 10.123 1.00 22.67 O ATOM 241 CB TYR A 26 65.046 -46.756 11.509 1.00 20.83 C ATOM 242 CG TYR A 26 63.897 -47.666 11.858 1.00 20.48 C ATOM 243 CD1 TYR A 26 64.067 -48.750 12.736 1.00 21.31 C ATOM 244 CD2 TYR A 26 62.608 -47.367 11.433 1.00 21.10 C ATOM 245 CE1 TYR A 26 62.990 -49.551 13.098 1.00 21.21 C ATOM 246 CE2 TYR A 26 61.530 -48.164 11.785 1.00 22.34 C ATOM 247 CZ TYR A 26 61.725 -49.246 12.631 1.00 20.70 C ATOM 248 OH TYR A 26 60.649 -50.037 12.960 1.00 22.95 O ATOM 249 HH TYR A 26 60.266 -50.431 12.136 1.00 0.00 H ATOM 250 H TYR A 26 66.580 -45.445 9.956 1.00 0.00 H ATOM 251 N PHE A 27 65.281 -48.162 8.688 1.00 21.08 N ATOM 252 CA PHE A 27 64.951 -49.138 7.639 1.00 19.66 C ATOM 253 C PHE A 27 66.206 -49.839 7.139 1.00 20.85 C ATOM 254 O PHE A 27 66.201 -51.039 6.894 1.00 19.21 O ATOM 255 CB PHE A 27 64.223 -48.451 6.471 1.00 19.35 C ATOM 256 CG PHE A 27 63.850 -49.385 5.355 1.00 18.43 C ATOM 257 CD1 PHE A 27 64.762 -49.685 4.357 1.00 18.34 C ATOM 258 CD2 PHE A 27 62.586 -49.960 5.300 1.00 18.10 C ATOM 259 CE1 PHE A 27 64.439 -50.559 3.343 1.00 18.71 C ATOM 260 CE2 PHE A 27 62.253 -50.827 4.279 1.00 18.07 C ATOM 261 CZ PHE A 27 63.171 -51.109 3.288 1.00 18.72 C ATOM 262 H PHE A 27 65.091 -47.153 8.522 1.00 0.00 H ATOM 263 N GLY A 28 67.276 -49.077 6.975 1.00 19.90 N ATOM 264 CA GLY A 28 68.537 -49.620 6.529 1.00 21.17 C ATOM 265 C GLY A 28 68.563 -49.933 5.030 1.00 22.54 C ATOM 266 O GLY A 28 67.864 -49.310 4.234 1.00 26.82 O ATOM 267 H GLY A 28 67.206 -48.058 7.173 1.00 0.00 H ATOM 268 N ASP A 29 69.357 -50.911 4.674 1.00 22.55 N ATOM 269 CA ASP A 29 69.657 -51.223 3.292 1.00 21.05 C ATOM 270 C ASP A 29 69.373 -52.714 3.093 1.00 19.64 C ATOM 271 O ASP A 29 69.901 -53.527 3.812 1.00 18.65 O ATOM 272 CB ASP A 29 71.139 -50.934 3.032 1.00 22.34 C ATOM 273 CG ASP A 29 71.551 -51.157 1.574 1.00 23.05 C ATOM 274 OD1 ASP A 29 70.765 -51.718 0.785 1.00 24.01 O ATOM 275 OD2 ASP A 29 72.692 -50.798 1.237 1.00 24.61 O ATOM 276 H ASP A 29 69.793 -51.491 5.419 1.00 0.00 H ATOM 277 N VAL A 30 68.492 -53.060 2.138 1.00 19.54 N ATOM 278 CA VAL A 30 68.145 -54.496 1.904 1.00 17.94 C ATOM 279 C VAL A 30 69.127 -55.187 0.927 1.00 18.18 C ATOM 280 O VAL A 30 69.002 -56.381 0.654 1.00 16.08 O ATOM 281 CB VAL A 30 66.683 -54.681 1.378 1.00 18.22 C ATOM 282 CG1 VAL A 30 65.676 -54.094 2.361 1.00 17.81 C ATOM 283 CG2 VAL A 30 66.519 -54.071 -0.004 1.00 18.36 C ATOM 284 H VAL A 30 68.047 -52.322 1.556 1.00 0.00 H ATOM 285 N ASN A 31 70.125 -54.434 0.463 1.00 17.67 N ATOM 286 CA ASN A 31 71.133 -54.941 -0.456 1.00 18.18 C ATOM 287 C ASN A 31 70.534 -55.548 -1.713 1.00 16.51 C ATOM 288 O ASN A 31 70.797 -56.694 -2.062 1.00 16.34 O ATOM 289 CB ASN A 31 72.021 -55.933 0.209 1.00 20.21 C ATOM 290 CG ASN A 31 73.313 -56.114 -0.530 1.00 23.76 C ATOM 291 OD1 ASN A 31 73.758 -55.205 -1.281 1.00 25.79 O ATOM 292 ND2 ASN A 31 73.928 -57.257 -0.362 1.00 23.93 N ATOM 293 HD22 ASN A 31 73.522 -57.978 0.268 1.00 0.00 H ATOM 294 HD21 ASN A 31 74.822 -57.444 -0.859 1.00 0.00 H ATOM 295 H ASN A 31 70.185 -53.442 0.771 1.00 0.00 H ATOM 296 N HIS A 32 69.721 -54.775 -2.366 1.00 16.00 N ATOM 297 CA HIS A 32 69.099 -55.188 -3.607 1.00 17.37 C ATOM 298 C HIS A 32 69.970 -54.717 -4.778 1.00 16.43 C ATOM 299 O HIS A 32 69.812 -53.601 -5.289 1.00 18.51 O ATOM 300 CB HIS A 32 67.718 -54.590 -3.680 1.00 15.80 C ATOM 301 CG HIS A 32 66.892 -55.083 -4.831 1.00 16.73 C ATOM 302 ND1 HIS A 32 65.700 -55.748 -4.647 1.00 16.38 N ATOM 303 CD2 HIS A 32 67.003 -54.870 -6.160 1.00 15.76 C ATOM 304 CE1 HIS A 32 65.134 -55.964 -5.820 1.00 17.03 C ATOM 305 NE2 HIS A 32 65.899 -55.432 -6.756 1.00 15.73 N ATOM 306 H HIS A 32 69.510 -53.830 -1.986 1.00 0.00 H ATOM 307 N ARG A 33 70.860 -55.576 -5.197 1.00 19.37 N ATOM 308 CA ARG A 33 71.975 -55.192 -6.078 1.00 20.30 C ATOM 309 C ARG A 33 72.381 -56.372 -6.881 1.00 20.36 C ATOM 310 O ARG A 33 72.083 -57.516 -6.507 1.00 18.77 O ATOM 311 CB ARG A 33 73.172 -54.723 -5.241 1.00 23.05 C ATOM 312 CG ARG A 33 73.290 -53.230 -5.127 1.00 27.74 C ATOM 313 CD ARG A 33 74.511 -52.849 -4.300 1.00 29.58 C ATOM 314 NE ARG A 33 74.213 -52.945 -2.894 1.00 31.52 N ATOM 315 CZ ARG A 33 73.824 -51.920 -2.139 1.00 31.79 C ATOM 316 NH1 ARG A 33 73.772 -50.704 -2.643 1.00 32.65 N ATOM 317 NH2 ARG A 33 73.513 -52.115 -0.883 1.00 30.69 N ATOM 318 HE ARG A 33 74.308 -53.875 -2.439 1.00 0.00 H ATOM 319 HH12 ARG A 33 73.467 -49.907 -2.048 1.00 0.00 H ATOM 320 HH11 ARG A 33 74.036 -50.541 -3.636 1.00 0.00 H ATOM 321 HH22 ARG A 33 73.209 -51.315 -0.292 1.00 0.00 H ATOM 322 HH21 ARG A 33 73.570 -53.070 -0.475 1.00 0.00 H ATOM 323 H ARG A 33 70.778 -56.568 -4.897 1.00 0.00 H ATOM 324 N PRO A 34 73.143 -56.135 -7.965 1.00 20.83 N ATOM 325 CA PRO A 34 73.567 -57.238 -8.777 1.00 21.58 C ATOM 326 C PRO A 34 74.207 -58.328 -7.936 1.00 20.76 C ATOM 327 O PRO A 34 75.018 -58.037 -7.015 1.00 20.34 O ATOM 328 CB PRO A 34 74.577 -56.602 -9.740 1.00 22.70 C ATOM 329 CG PRO A 34 74.203 -55.149 -9.768 1.00 21.69 C ATOM 330 CD PRO A 34 73.744 -54.859 -8.393 1.00 22.15 C ATOM 331 N GLY A 35 73.776 -59.554 -8.153 1.00 20.19 N ATOM 332 CA GLY A 35 74.350 -60.709 -7.452 1.00 20.13 C ATOM 333 C GLY A 35 73.861 -60.892 -6.027 1.00 19.69 C ATOM 334 O GLY A 35 74.283 -61.831 -5.330 1.00 20.05 O ATOM 335 H GLY A 35 73.009 -59.707 -8.839 1.00 0.00 H ATOM 336 N GLN A 36 72.999 -59.992 -5.567 1.00 19.38 N ATOM 337 CA GLN A 36 72.541 -60.027 -4.170 1.00 19.44 C ATOM 338 C GLN A 36 71.003 -60.138 -4.065 1.00 18.27 C ATOM 339 O GLN A 36 70.452 -60.028 -2.989 1.00 17.05 O ATOM 340 CB GLN A 36 73.017 -58.782 -3.428 1.00 19.45 C ATOM 341 CG GLN A 36 74.524 -58.613 -3.418 1.00 21.97 C ATOM 342 CD GLN A 36 75.221 -59.714 -2.658 1.00 23.54 C ATOM 343 OE1 GLN A 36 74.612 -60.393 -1.810 1.00 27.67 O ATOM 344 NE2 GLN A 36 76.491 -59.893 -2.928 1.00 24.70 N ATOM 345 HE22 GLN A 36 76.959 -59.302 -3.645 1.00 0.00 H ATOM 346 HE21 GLN A 36 77.031 -60.626 -2.426 1.00 0.00 H ATOM 347 H GLN A 36 72.643 -59.252 -6.204 1.00 0.00 H ATOM 348 N VAL A 37 70.336 -60.315 -5.199 1.00 17.95 N ATOM 349 CA VAL A 37 68.928 -60.707 -5.207 1.00 18.37 C ATOM 350 C VAL A 37 68.872 -62.149 -5.654 1.00 19.15 C ATOM 351 O VAL A 37 68.849 -62.440 -6.861 1.00 18.07 O ATOM 352 CB VAL A 37 68.084 -59.802 -6.141 1.00 18.77 C ATOM 353 CG1 VAL A 37 66.583 -60.133 -6.007 1.00 19.28 C ATOM 354 CG2 VAL A 37 68.339 -58.336 -5.826 1.00 18.28 C ATOM 355 H VAL A 37 70.827 -60.171 -6.104 1.00 0.00 H ATOM 356 N VAL A 38 68.973 -63.062 -4.675 1.00 17.88 N ATOM 357 CA VAL A 38 69.181 -64.499 -4.955 1.00 18.35 C ATOM 358 C VAL A 38 68.046 -65.362 -4.396 1.00 19.03 C ATOM 359 O VAL A 38 68.061 -66.592 -4.526 1.00 16.88 O ATOM 360 CB VAL A 38 70.510 -64.995 -4.357 1.00 18.87 C ATOM 361 CG1 VAL A 38 71.665 -64.213 -4.945 1.00 19.86 C ATOM 362 CG2 VAL A 38 70.500 -64.868 -2.839 1.00 19.15 C ATOM 363 H VAL A 38 68.903 -62.748 -3.686 1.00 0.00 H ATOM 364 N ASP A 39 67.099 -64.712 -3.743 1.00 19.51 N ATOM 365 CA ASP A 39 65.897 -65.351 -3.282 1.00 19.93 C ATOM 366 C ASP A 39 64.847 -64.256 -3.030 1.00 19.56 C ATOM 367 O ASP A 39 65.017 -63.117 -3.476 1.00 17.42 O ATOM 368 CB ASP A 39 66.179 -66.171 -1.995 1.00 19.74 C ATOM 369 CG ASP A 39 66.555 -65.281 -0.778 1.00 20.75 C ATOM 370 OD1 ASP A 39 66.391 -64.038 -0.839 1.00 20.06 O ATOM 371 OD2 ASP A 39 66.955 -65.843 0.244 1.00 23.61 O ATOM 372 H ASP A 39 67.229 -63.697 -3.555 1.00 0.00 H ATOM 373 N GLY A 40 63.775 -64.596 -2.311 1.00 20.00 N ATOM 374 CA GLY A 40 62.625 -63.681 -2.164 1.00 18.46 C ATOM 375 C GLY A 40 62.746 -62.685 -0.993 1.00 18.18 C ATOM 376 O GLY A 40 61.853 -61.885 -0.769 1.00 16.57 O ATOM 377 H GLY A 40 63.749 -65.525 -1.844 1.00 0.00 H ATOM 378 N SER A 41 63.860 -62.734 -0.262 1.00 17.05 N ATOM 379 CA SER A 41 63.959 -62.029 1.007 1.00 17.38 C ATOM 380 C SER A 41 64.049 -60.521 0.833 1.00 17.33 C ATOM 381 O SER A 41 63.716 -59.793 1.736 1.00 17.46 O ATOM 382 CB SER A 41 65.163 -62.516 1.806 1.00 19.15 C ATOM 383 OG SER A 41 66.368 -62.302 1.088 1.00 19.23 O ATOM 384 HG SER A 41 66.333 -62.797 0.231 1.00 0.00 H ATOM 385 H SER A 41 64.672 -63.286 -0.605 1.00 0.00 H ATOM 386 N ASN A 42 64.533 -60.062 -0.330 1.00 16.71 N ATOM 387 CA ASN A 42 64.792 -58.629 -0.528 1.00 17.27 C ATOM 388 C ASN A 42 64.319 -58.098 -1.875 1.00 16.89 C ATOM 389 O ASN A 42 64.735 -57.030 -2.290 1.00 17.39 O ATOM 390 CB ASN A 42 66.301 -58.316 -0.324 1.00 17.80 C ATOM 391 CG ASN A 42 67.193 -58.995 -1.360 1.00 17.82 C ATOM 392 OD1 ASN A 42 66.788 -59.944 -2.027 1.00 17.78 O ATOM 393 ND2 ASN A 42 68.435 -58.493 -1.494 1.00 17.90 N ATOM 394 HD22 ASN A 42 68.737 -57.688 -0.908 1.00 0.00 H ATOM 395 HD21 ASN A 42 69.093 -58.910 -2.183 1.00 0.00 H ATOM 396 H ASN A 42 64.728 -60.730 -1.103 1.00 0.00 H ATOM 397 N THR A 43 63.361 -58.800 -2.508 1.00 16.13 N ATOM 398 CA THR A 43 62.792 -58.344 -3.793 1.00 15.78 C ATOM 399 C THR A 43 61.800 -57.207 -3.614 1.00 15.06 C ATOM 400 O THR A 43 61.643 -56.352 -4.500 1.00 15.80 O ATOM 401 CB THR A 43 62.061 -59.482 -4.514 1.00 15.90 C ATOM 402 OG1 THR A 43 61.100 -60.086 -3.617 1.00 13.64 O ATOM 403 CG2 THR A 43 63.049 -60.532 -4.994 1.00 15.84 C ATOM 404 HG1 THR A 43 60.630 -60.820 -4.085 1.00 0.00 H ATOM 405 H THR A 43 63.013 -59.683 -2.083 1.00 0.00 H ATOM 406 N GLY A 44 61.093 -57.214 -2.503 1.00 14.75 N ATOM 407 CA GLY A 44 59.829 -56.547 -2.425 1.00 14.31 C ATOM 408 C GLY A 44 58.795 -57.244 -3.305 1.00 14.98 C ATOM 409 O GLY A 44 58.999 -58.391 -3.749 1.00 14.73 O ATOM 410 H GLY A 44 61.460 -57.713 -1.667 1.00 0.00 H ATOM 411 N GLY A 45 57.695 -56.567 -3.560 1.00 14.03 N ATOM 412 CA GLY A 45 56.676 -57.101 -4.455 1.00 13.75 C ATOM 413 C GLY A 45 55.756 -56.045 -4.980 1.00 13.78 C ATOM 414 O GLY A 45 55.611 -54.975 -4.370 1.00 13.81 O ATOM 415 H GLY A 45 57.551 -55.637 -3.116 1.00 0.00 H ATOM 416 N PHE A 46 55.091 -56.364 -6.103 1.00 13.44 N ATOM 417 CA PHE A 46 54.129 -55.493 -6.732 1.00 13.85 C ATOM 418 C PHE A 46 52.693 -56.007 -6.537 1.00 14.94 C ATOM 419 O PHE A 46 52.439 -57.229 -6.521 1.00 14.05 O ATOM 420 CB PHE A 46 54.409 -55.389 -8.233 1.00 14.97 C ATOM 421 CG PHE A 46 55.596 -54.527 -8.575 1.00 14.48 C ATOM 422 CD1 PHE A 46 55.477 -53.143 -8.628 1.00 14.90 C ATOM 423 CD2 PHE A 46 56.828 -55.092 -8.817 1.00 14.29 C ATOM 424 CE1 PHE A 46 56.573 -52.350 -8.925 1.00 14.53 C ATOM 425 CE2 PHE A 46 57.916 -54.305 -9.128 1.00 14.94 C ATOM 426 CZ PHE A 46 57.792 -52.933 -9.159 1.00 14.87 C ATOM 427 H PHE A 46 55.280 -57.288 -6.542 1.00 0.00 H ATOM 428 N ASN A 47 51.770 -55.079 -6.431 1.00 14.81 N ATOM 429 CA ASN A 47 50.337 -55.387 -6.493 1.00 14.95 C ATOM 430 C ASN A 47 49.722 -54.674 -7.685 1.00 15.49 C ATOM 431 O ASN A 47 49.679 -53.446 -7.711 1.00 17.15 O ATOM 432 CB ASN A 47 49.646 -54.938 -5.205 1.00 15.23 C ATOM 433 CG ASN A 47 48.140 -55.003 -5.301 1.00 16.11 C ATOM 434 OD1 ASN A 47 47.432 -54.019 -5.030 1.00 19.45 O ATOM 435 ND2 ASN A 47 47.652 -56.104 -5.744 1.00 15.11 N ATOM 436 HD22 ASN A 47 48.282 -56.903 -5.958 1.00 0.00 H ATOM 437 HD21 ASN A 47 46.626 -56.197 -5.889 1.00 0.00 H ATOM 438 H ASN A 47 52.065 -54.091 -6.298 1.00 0.00 H ATOM 439 N PRO A 48 49.209 -55.439 -8.671 1.00 17.15 N ATOM 440 CA PRO A 48 49.020 -56.897 -8.643 1.00 17.69 C ATOM 441 C PRO A 48 50.233 -57.719 -9.064 1.00 17.19 C ATOM 442 O PRO A 48 50.246 -58.941 -8.870 1.00 17.83 O ATOM 443 CB PRO A 48 47.868 -57.115 -9.626 1.00 19.74 C ATOM 444 CG PRO A 48 47.957 -55.980 -10.560 1.00 20.23 C ATOM 445 CD PRO A 48 48.494 -54.820 -9.798 1.00 19.00 C ATOM 446 N GLY A 49 51.246 -57.074 -9.624 1.00 13.92 N ATOM 447 CA GLY A 49 52.400 -57.796 -10.137 1.00 13.97 C ATOM 448 C GLY A 49 52.085 -58.519 -11.439 1.00 13.78 C ATOM 449 O GLY A 49 51.000 -58.335 -12.021 1.00 13.29 O ATOM 450 H GLY A 49 51.216 -56.037 -9.698 1.00 0.00 H ATOM 451 N PRO A 50 53.033 -59.310 -11.932 1.00 14.45 N ATOM 452 CA PRO A 50 54.274 -59.668 -11.265 1.00 13.98 C ATOM 453 C PRO A 50 55.331 -58.539 -11.219 1.00 14.55 C ATOM 454 O PRO A 50 56.147 -58.509 -10.304 1.00 15.46 O ATOM 455 CB PRO A 50 54.786 -60.847 -12.100 1.00 14.46 C ATOM 456 CG PRO A 50 54.169 -60.669 -13.419 1.00 14.25 C ATOM 457 CD PRO A 50 52.841 -60.066 -13.174 1.00 14.60 C ATOM 458 N PHE A 51 55.322 -57.650 -12.213 1.00 14.47 N ATOM 459 CA PHE A 51 56.389 -56.601 -12.328 1.00 15.62 C ATOM 460 C PHE A 51 55.816 -55.220 -12.591 1.00 16.05 C ATOM 461 O PHE A 51 56.545 -54.288 -12.945 1.00 16.24 O ATOM 462 CB PHE A 51 57.381 -56.982 -13.421 1.00 15.25 C ATOM 463 CG PHE A 51 57.965 -58.352 -13.241 1.00 14.93 C ATOM 464 CD1 PHE A 51 58.649 -58.667 -12.099 1.00 15.16 C ATOM 465 CD2 PHE A 51 57.702 -59.355 -14.154 1.00 15.01 C ATOM 466 CE1 PHE A 51 59.130 -59.940 -11.891 1.00 14.07 C ATOM 467 CE2 PHE A 51 58.193 -60.625 -13.964 1.00 14.09 C ATOM 468 CZ PHE A 51 58.894 -60.920 -12.819 1.00 14.13 C ATOM 469 H PHE A 51 54.561 -57.684 -12.922 1.00 0.00 H ATOM 470 N ASP A 52 54.510 -55.092 -12.417 1.00 16.48 N ATOM 471 CA ASP A 52 53.822 -53.810 -12.555 1.00 16.26 C ATOM 472 C ASP A 52 52.761 -53.734 -11.501 1.00 15.57 C ATOM 473 O ASP A 52 52.234 -54.752 -11.084 1.00 16.66 O ATOM 474 CB ASP A 52 53.178 -53.690 -13.919 1.00 17.06 C ATOM 475 CG ASP A 52 54.170 -53.798 -15.038 1.00 17.93 C ATOM 476 OD1 ASP A 52 54.565 -54.932 -15.372 1.00 17.47 O ATOM 477 OD2 ASP A 52 54.583 -52.749 -15.569 1.00 17.41 O ATOM 478 H ASP A 52 53.953 -55.935 -12.173 1.00 0.00 H ATOM 479 N GLY A 53 52.405 -52.535 -11.079 1.00 15.97 N ATOM 480 CA GLY A 53 51.238 -52.396 -10.235 1.00 15.53 C ATOM 481 C GLY A 53 50.974 -51.041 -9.697 1.00 15.59 C ATOM 482 O GLY A 53 51.715 -50.080 -9.974 1.00 15.62 O ATOM 483 H GLY A 53 52.959 -51.698 -11.351 1.00 0.00 H ATOM 484 N SER A 54 49.880 -50.934 -8.959 1.00 14.57 N ATOM 485 CA SER A 54 49.547 -49.714 -8.270 1.00 14.77 C ATOM 486 C SER A 54 50.307 -49.572 -6.936 1.00 15.03 C ATOM 487 O SER A 54 50.342 -48.480 -6.352 1.00 14.89 O ATOM 488 CB SER A 54 48.057 -49.625 -8.055 1.00 15.89 C ATOM 489 OG SER A 54 47.573 -50.723 -7.304 1.00 17.30 O ATOM 490 HG SER A 54 46.595 -50.632 -7.182 1.00 0.00 H ATOM 491 H SER A 54 49.244 -51.753 -8.875 1.00 0.00 H ATOM 492 N GLN A 55 50.916 -50.668 -6.453 1.00 14.16 N ATOM 493 CA GLN A 55 51.828 -50.596 -5.279 1.00 14.18 C ATOM 494 C GLN A 55 53.102 -51.377 -5.506 1.00 15.27 C ATOM 495 O GLN A 55 53.091 -52.472 -6.099 1.00 14.73 O ATOM 496 CB GLN A 55 51.171 -51.160 -4.021 1.00 14.56 C ATOM 497 CG GLN A 55 49.803 -50.634 -3.678 1.00 14.57 C ATOM 498 CD GLN A 55 49.178 -51.431 -2.518 1.00 15.02 C ATOM 499 OE1 GLN A 55 48.922 -52.615 -2.652 1.00 15.53 O ATOM 500 NE2 GLN A 55 49.079 -50.808 -1.351 1.00 14.99 N ATOM 501 HE22 GLN A 55 49.307 -49.796 -1.281 1.00 0.00 H ATOM 502 HE21 GLN A 55 48.773 -51.332 -0.506 1.00 0.00 H ATOM 503 H GLN A 55 50.746 -51.587 -6.910 1.00 0.00 H ATOM 504 N TYR A 56 54.189 -50.861 -4.977 1.00 13.60 N ATOM 505 CA TYR A 56 55.355 -51.656 -4.691 1.00 14.69 C ATOM 506 C TYR A 56 55.671 -51.522 -3.226 1.00 14.73 C ATOM 507 O TYR A 56 55.636 -50.419 -2.684 1.00 16.37 O ATOM 508 CB TYR A 56 56.540 -51.177 -5.507 1.00 14.36 C ATOM 509 CG TYR A 56 57.816 -51.825 -5.115 1.00 14.33 C ATOM 510 CD1 TYR A 56 58.138 -53.085 -5.576 1.00 14.44 C ATOM 511 CD2 TYR A 56 58.680 -51.217 -4.211 1.00 13.35 C ATOM 512 CE1 TYR A 56 59.305 -53.710 -5.191 1.00 14.14 C ATOM 513 CE2 TYR A 56 59.851 -51.832 -3.822 1.00 13.24 C ATOM 514 CZ TYR A 56 60.150 -53.090 -4.308 1.00 13.46 C ATOM 515 OH TYR A 56 61.309 -53.729 -3.932 1.00 14.94 O ATOM 516 HH TYR A 56 61.356 -54.613 -4.375 1.00 0.00 H ATOM 517 H TYR A 56 54.208 -49.845 -4.758 1.00 0.00 H ATOM 518 N ALA A 57 55.971 -52.637 -2.575 1.00 15.60 N ATOM 519 CA ALA A 57 56.169 -52.650 -1.131 1.00 15.46 C ATOM 520 C ALA A 57 57.332 -53.476 -0.758 1.00 16.28 C ATOM 521 O ALA A 57 57.642 -54.487 -1.418 1.00 15.93 O ATOM 522 CB ALA A 57 54.913 -53.152 -0.421 1.00 16.75 C ATOM 523 H ALA A 57 56.068 -53.525 -3.108 1.00 0.00 H ATOM 524 N LEU A 58 58.017 -53.056 0.301 1.00 15.71 N ATOM 525 CA LEU A 58 59.208 -53.708 0.722 1.00 16.40 C ATOM 526 C LEU A 58 59.421 -53.553 2.219 1.00 16.60 C ATOM 527 O LEU A 58 59.286 -52.448 2.776 1.00 16.40 O ATOM 528 CB LEU A 58 60.411 -53.134 -0.041 1.00 17.47 C ATOM 529 CG LEU A 58 61.782 -53.597 0.408 1.00 17.97 C ATOM 530 CD1 LEU A 58 61.993 -55.057 0.093 1.00 18.30 C ATOM 531 CD2 LEU A 58 62.845 -52.746 -0.263 1.00 18.78 C ATOM 532 H LEU A 58 57.674 -52.231 0.834 1.00 0.00 H ATOM 533 N LYS A 59 59.787 -54.658 2.862 1.00 17.64 N ATOM 534 CA LYS A 59 60.082 -54.680 4.288 1.00 20.59 C ATOM 535 C LYS A 59 61.614 -54.598 4.519 1.00 19.96 C ATOM 536 O LYS A 59 62.399 -55.110 3.721 1.00 18.17 O ATOM 537 CB LYS A 59 59.517 -55.973 4.911 1.00 23.88 C ATOM 538 CG LYS A 59 60.153 -56.369 6.223 1.00 29.79 C ATOM 539 CD LYS A 59 59.442 -57.585 6.842 1.00 33.56 C ATOM 540 CE LYS A 59 59.935 -57.858 8.265 1.00 37.61 C ATOM 541 NZ LYS A 59 61.419 -58.017 8.320 1.00 38.21 N ATOM 542 HZ1 LYS A 59 61.703 -58.816 7.718 1.00 0.00 H ATOM 543 HZ2 LYS A 59 61.873 -57.145 7.979 1.00 0.00 H ATOM 544 HZ3 LYS A 59 61.711 -58.200 9.301 1.00 0.00 H ATOM 545 H LYS A 59 59.866 -55.544 2.324 1.00 0.00 H ATOM 546 N SER A 60 62.005 -53.947 5.608 1.00 20.40 N ATOM 547 CA SER A 60 63.396 -53.938 6.077 1.00 19.62 C ATOM 548 C SER A 60 63.911 -55.358 6.384 1.00 22.72 C ATOM 549 O SER A 60 63.146 -56.228 6.793 1.00 20.48 O ATOM 550 CB SER A 60 63.504 -53.085 7.344 1.00 20.64 C ATOM 551 OG SER A 60 64.816 -53.118 7.885 1.00 22.05 O ATOM 552 HG SER A 60 65.456 -52.768 7.216 1.00 0.00 H ATOM 553 H SER A 60 61.294 -53.420 6.153 1.00 0.00 H ATOM 554 N THR A 61 65.222 -55.550 6.225 1.00 23.31 N ATOM 555 CA THR A 61 65.887 -56.801 6.579 1.00 27.56 C ATOM 556 C THR A 61 65.848 -57.099 8.086 1.00 29.50 C ATOM 557 O THR A 61 65.539 -58.214 8.486 1.00 33.44 O ATOM 558 CB THR A 61 67.362 -56.785 6.145 1.00 28.80 C ATOM 559 OG1 THR A 61 67.440 -56.593 4.750 1.00 26.52 O ATOM 560 CG2 THR A 61 68.039 -58.081 6.504 1.00 31.00 C ATOM 561 HG1 THR A 61 66.968 -57.331 4.290 1.00 0.00 H ATOM 562 H THR A 61 65.795 -54.776 5.832 1.00 0.00 H ATOM 563 N ALA A 62 66.192 -56.112 8.911 1.00 31.97 N ATOM 564 CA ALA A 62 66.440 -56.375 10.347 1.00 33.34 C ATOM 565 C ALA A 62 65.592 -55.517 11.298 1.00 31.90 C ATOM 566 O ALA A 62 65.776 -55.578 12.527 1.00 28.20 O ATOM 567 CB ALA A 62 67.914 -56.206 10.664 1.00 35.05 C ATOM 568 H ALA A 62 66.288 -55.144 8.542 1.00 0.00 H ATOM 569 N SER A 63 64.653 -54.742 10.747 1.00 29.08 N ATOM 570 CA SER A 63 63.622 -54.119 11.569 1.00 26.77 C ATOM 571 C SER A 63 62.230 -54.423 11.037 1.00 26.94 C ATOM 572 O SER A 63 62.069 -55.157 10.029 1.00 25.37 O ATOM 573 CB SER A 63 63.852 -52.597 11.666 1.00 26.16 C ATOM 574 OG SER A 63 63.541 -51.946 10.461 1.00 24.90 O ATOM 575 HG SER A 63 64.114 -52.303 9.737 1.00 0.00 H ATOM 576 H SER A 63 64.658 -54.581 9.720 1.00 0.00 H ATOM 577 N ASP A 64 61.213 -53.905 11.727 1.00 27.25 N ATOM 578 CA ASP A 64 59.835 -54.082 11.296 1.00 29.04 C ATOM 579 C ASP A 64 59.442 -53.004 10.289 1.00 24.70 C ATOM 580 O ASP A 64 58.307 -52.953 9.838 1.00 24.85 O ATOM 581 CB ASP A 64 58.881 -54.049 12.507 1.00 34.71 C ATOM 582 CG ASP A 64 58.916 -55.363 13.335 1.00 40.01 C ATOM 583 OD1 ASP A 64 59.360 -56.412 12.792 1.00 43.58 O ATOM 584 OD2 ASP A 64 58.500 -55.333 14.519 1.00 43.25 O ATOM 585 H ASP A 64 61.409 -53.363 12.592 1.00 0.00 H ATOM 586 N ALA A 65 60.401 -52.158 9.926 1.00 22.56 N ATOM 587 CA ALA A 65 60.134 -51.041 9.057 1.00 20.51 C ATOM 588 C ALA A 65 59.742 -51.523 7.661 1.00 17.83 C ATOM 589 O ALA A 65 60.188 -52.576 7.206 1.00 17.08 O ATOM 590 CB ALA A 65 61.346 -50.130 8.982 1.00 21.06 C ATOM 591 H ALA A 65 61.368 -52.306 10.278 1.00 0.00 H ATOM 592 N ALA A 66 58.935 -50.724 6.985 1.00 17.74 N ATOM 593 CA ALA A 66 58.510 -51.016 5.633 1.00 16.68 C ATOM 594 C ALA A 66 58.011 -49.770 4.968 1.00 16.44 C ATOM 595 O ALA A 66 57.625 -48.801 5.642 1.00 18.31 O ATOM 596 CB ALA A 66 57.415 -52.079 5.638 1.00 16.29 C ATOM 597 H ALA A 66 58.593 -49.854 7.441 1.00 0.00 H ATOM 598 N PHE A 67 57.983 -49.786 3.644 1.00 16.12 N ATOM 599 CA PHE A 67 57.327 -48.732 2.896 1.00 15.88 C ATOM 600 C PHE A 67 56.448 -49.282 1.777 1.00 15.54 C ATOM 601 O PHE A 67 56.635 -50.419 1.317 1.00 13.53 O ATOM 602 CB PHE A 67 58.369 -47.734 2.344 1.00 16.29 C ATOM 603 CG PHE A 67 59.197 -48.270 1.220 1.00 15.94 C ATOM 604 CD1 PHE A 67 58.728 -48.234 -0.083 1.00 17.44 C ATOM 605 CD2 PHE A 67 60.486 -48.733 1.451 1.00 16.33 C ATOM 606 CE1 PHE A 67 59.503 -48.689 -1.125 1.00 16.43 C ATOM 607 CE2 PHE A 67 61.260 -49.189 0.411 1.00 16.19 C ATOM 608 CZ PHE A 67 60.757 -49.176 -0.880 1.00 16.58 C ATOM 609 H PHE A 67 58.439 -50.568 3.132 1.00 0.00 H ATOM 610 N ILE A 68 55.423 -48.524 1.446 1.00 15.45 N ATOM 611 CA ILE A 68 54.639 -48.762 0.266 1.00 15.52 C ATOM 612 C ILE A 68 54.741 -47.565 -0.667 1.00 15.48 C ATOM 613 O ILE A 68 54.440 -46.420 -0.276 1.00 15.26 O ATOM 614 CB ILE A 68 53.154 -49.009 0.605 1.00 15.01 C ATOM 615 CG1 ILE A 68 53.019 -50.171 1.614 1.00 15.44 C ATOM 616 CG2 ILE A 68 52.366 -49.321 -0.679 1.00 15.22 C ATOM 617 CD1 ILE A 68 51.631 -50.328 2.179 1.00 16.12 C ATOM 618 H ILE A 68 55.172 -47.724 2.061 1.00 0.00 H ATOM 619 N ALA A 69 55.207 -47.818 -1.889 1.00 14.96 N ATOM 620 CA ALA A 69 55.116 -46.839 -2.964 1.00 15.47 C ATOM 621 C ALA A 69 53.871 -47.078 -3.760 1.00 16.53 C ATOM 622 O ALA A 69 53.627 -48.207 -4.233 1.00 16.44 O ATOM 623 CB ALA A 69 56.330 -46.925 -3.858 1.00 15.52 C ATOM 624 H ALA A 69 55.648 -48.740 -2.081 1.00 0.00 H ATOM 625 N GLY A 70 53.074 -46.025 -3.928 1.00 17.03 N ATOM 626 CA GLY A 70 51.828 -46.109 -4.680 1.00 16.79 C ATOM 627 C GLY A 70 51.878 -45.257 -5.932 1.00 17.20 C ATOM 628 O GLY A 70 52.428 -44.163 -5.925 1.00 15.81 O ATOM 629 H GLY A 70 53.349 -45.114 -3.509 1.00 0.00 H ATOM 630 N GLY A 71 51.305 -45.770 -7.017 1.00 16.89 N ATOM 631 CA GLY A 71 51.122 -44.982 -8.226 1.00 18.34 C ATOM 632 C GLY A 71 50.688 -45.852 -9.382 1.00 19.30 C ATOM 633 O GLY A 71 49.776 -46.652 -9.241 1.00 18.51 O ATOM 634 H GLY A 71 50.980 -46.758 -7.001 1.00 0.00 H ATOM 635 N ASP A 72 51.333 -45.661 -10.529 1.00 17.51 N ATOM 636 CA ASP A 72 51.153 -46.524 -11.700 1.00 18.61 C ATOM 637 C ASP A 72 52.532 -46.962 -12.132 1.00 17.78 C ATOM 638 O ASP A 72 53.187 -46.284 -12.913 1.00 17.85 O ATOM 639 CB ASP A 72 50.450 -45.740 -12.832 1.00 19.97 C ATOM 640 CG ASP A 72 50.082 -46.624 -14.032 1.00 22.53 C ATOM 641 OD1 ASP A 72 50.409 -47.806 -14.020 1.00 21.41 O ATOM 642 OD2 ASP A 72 49.454 -46.112 -14.965 1.00 27.70 O ATOM 643 H ASP A 72 51.996 -44.863 -10.598 1.00 0.00 H ATOM 644 N LEU A 73 53.020 -48.033 -11.507 1.00 15.61 N ATOM 645 CA LEU A 73 54.445 -48.359 -11.499 1.00 16.23 C ATOM 646 C LEU A 73 54.762 -49.580 -12.365 1.00 15.63 C ATOM 647 O LEU A 73 53.923 -50.503 -12.526 1.00 15.47 O ATOM 648 CB LEU A 73 54.905 -48.618 -10.076 1.00 16.20 C ATOM 649 CG LEU A 73 54.830 -47.422 -9.133 1.00 17.45 C ATOM 650 CD1 LEU A 73 55.041 -47.893 -7.696 1.00 17.58 C ATOM 651 CD2 LEU A 73 55.868 -46.379 -9.520 1.00 17.28 C ATOM 652 H LEU A 73 52.361 -48.662 -11.005 1.00 0.00 H ATOM 653 N HIS A 74 55.969 -49.585 -12.899 1.00 15.53 N ATOM 654 CA HIS A 74 56.416 -50.582 -13.832 1.00 16.38 C ATOM 655 C HIS A 74 57.872 -50.894 -13.529 1.00 15.94 C ATOM 656 O HIS A 74 58.633 -50.015 -13.138 1.00 15.51 O ATOM 657 CB HIS A 74 56.316 -50.063 -15.271 1.00 15.91 C ATOM 658 CG HIS A 74 55.000 -49.465 -15.610 1.00 17.29 C ATOM 659 ND1 HIS A 74 53.877 -50.224 -15.847 1.00 18.83 N ATOM 660 CD2 HIS A 74 54.629 -48.176 -15.794 1.00 17.90 C ATOM 661 CE1 HIS A 74 52.860 -49.426 -16.130 1.00 18.88 C ATOM 662 NE2 HIS A 74 53.291 -48.180 -16.112 1.00 18.59 N ATOM 663 H HIS A 74 56.630 -48.829 -12.631 1.00 0.00 H ATOM 664 N TYR A 75 58.254 -52.136 -13.711 1.00 14.68 N ATOM 665 CA TYR A 75 59.621 -52.562 -13.455 1.00 14.86 C ATOM 666 C TYR A 75 60.116 -53.421 -14.597 1.00 15.26 C ATOM 667 O TYR A 75 59.454 -54.364 -14.994 1.00 15.56 O ATOM 668 CB TYR A 75 59.676 -53.358 -12.166 1.00 14.82 C ATOM 669 CG TYR A 75 61.058 -53.818 -11.790 1.00 14.71 C ATOM 670 CD1 TYR A 75 62.066 -52.896 -11.505 1.00 15.66 C ATOM 671 CD2 TYR A 75 61.347 -55.152 -11.665 1.00 14.37 C ATOM 672 CE1 TYR A 75 63.323 -53.310 -11.144 1.00 15.66 C ATOM 673 CE2 TYR A 75 62.598 -55.581 -11.304 1.00 14.67 C ATOM 674 CZ TYR A 75 63.586 -54.650 -11.041 1.00 15.67 C ATOM 675 OH TYR A 75 64.839 -55.073 -10.676 1.00 16.51 O ATOM 676 HH TYR A 75 64.777 -55.603 -9.842 1.00 0.00 H ATOM 677 H TYR A 75 57.561 -52.835 -14.047 1.00 0.00 H ATOM 678 N THR A 76 61.299 -53.123 -15.098 1.00 15.04 N ATOM 679 CA THR A 76 61.762 -53.720 -16.359 1.00 14.81 C ATOM 680 C THR A 76 62.410 -55.092 -16.153 1.00 15.88 C ATOM 681 O THR A 76 62.636 -55.817 -17.112 1.00 16.79 O ATOM 682 CB THR A 76 62.793 -52.828 -17.043 1.00 14.24 C ATOM 683 OG1 THR A 76 63.888 -52.621 -16.158 1.00 12.35 O ATOM 684 CG2 THR A 76 62.170 -51.489 -17.444 1.00 15.13 C ATOM 685 HG1 THR A 76 64.561 -52.042 -16.597 1.00 0.00 H ATOM 686 H THR A 76 61.915 -52.454 -14.592 1.00 0.00 H ATOM 687 N LEU A 77 62.716 -55.427 -14.897 1.00 16.65 N ATOM 688 CA LEU A 77 63.453 -56.646 -14.568 1.00 16.92 C ATOM 689 C LEU A 77 64.702 -56.780 -15.460 1.00 17.83 C ATOM 690 O LEU A 77 65.609 -55.980 -15.352 1.00 19.20 O ATOM 691 CB LEU A 77 62.536 -57.899 -14.654 1.00 17.98 C ATOM 692 CG LEU A 77 63.081 -59.187 -13.975 1.00 17.93 C ATOM 693 CD1 LEU A 77 63.283 -59.017 -12.479 1.00 19.68 C ATOM 694 CD2 LEU A 77 62.159 -60.381 -14.249 1.00 18.03 C ATOM 695 H LEU A 77 62.419 -54.797 -14.124 1.00 0.00 H ATOM 696 N PHE A 78 64.740 -57.791 -16.330 1.00 17.22 N ATOM 697 CA PHE A 78 65.950 -58.066 -17.116 1.00 18.67 C ATOM 698 C PHE A 78 65.937 -57.367 -18.483 1.00 17.55 C ATOM 699 O PHE A 78 66.916 -57.431 -19.222 1.00 18.42 O ATOM 700 CB PHE A 78 66.127 -59.563 -17.315 1.00 17.69 C ATOM 701 CG PHE A 78 66.119 -60.356 -16.032 1.00 17.87 C ATOM 702 CD1 PHE A 78 66.931 -59.997 -14.975 1.00 18.88 C ATOM 703 CD2 PHE A 78 65.269 -61.441 -15.877 1.00 18.80 C ATOM 704 CE1 PHE A 78 66.926 -60.726 -13.790 1.00 19.92 C ATOM 705 CE2 PHE A 78 65.260 -62.172 -14.692 1.00 19.93 C ATOM 706 CZ PHE A 78 66.081 -61.799 -13.647 1.00 19.59 C ATOM 707 H PHE A 78 63.901 -58.393 -16.453 1.00 0.00 H ATOM 708 N SER A 79 64.821 -56.748 -18.820 1.00 17.36 N ATOM 709 CA SER A 79 64.639 -56.127 -20.131 1.00 17.62 C ATOM 710 C SER A 79 65.248 -54.714 -20.122 1.00 17.69 C ATOM 711 O SER A 79 65.183 -54.008 -19.116 1.00 15.60 O ATOM 712 CB SER A 79 63.134 -56.054 -20.483 1.00 18.13 C ATOM 713 OG SER A 79 62.932 -55.589 -21.820 1.00 19.80 O ATOM 714 HG SER A 79 63.322 -54.684 -21.916 1.00 0.00 H ATOM 715 H SER A 79 64.045 -56.700 -18.129 1.00 0.00 H ATOM 716 N ASN A 80 65.881 -54.338 -21.229 1.00 17.81 N ATOM 717 CA ASN A 80 66.506 -53.033 -21.342 1.00 17.54 C ATOM 718 C ASN A 80 65.473 -51.911 -21.146 1.00 17.30 C ATOM 719 O ASN A 80 64.393 -51.963 -21.701 1.00 17.83 O ATOM 720 CB ASN A 80 67.178 -52.897 -22.717 1.00 17.55 C ATOM 721 CG ASN A 80 68.038 -51.659 -22.829 1.00 17.70 C ATOM 722 OD1 ASN A 80 68.917 -51.422 -22.003 1.00 17.87 O ATOM 723 ND2 ASN A 80 67.811 -50.874 -23.878 1.00 17.87 N ATOM 724 HD22 ASN A 80 67.056 -51.113 -24.552 1.00 0.00 H ATOM 725 HD21 ASN A 80 68.388 -50.021 -24.024 1.00 0.00 H ATOM 726 H ASN A 80 65.929 -54.995 -22.034 1.00 0.00 H ATOM 727 N PRO A 81 65.825 -50.886 -20.371 1.00 17.69 N ATOM 728 CA PRO A 81 66.984 -50.756 -19.527 1.00 17.38 C ATOM 729 C PRO A 81 66.768 -51.522 -18.230 1.00 17.53 C ATOM 730 O PRO A 81 65.781 -51.312 -17.566 1.00 17.45 O ATOM 731 CB PRO A 81 67.036 -49.271 -19.249 1.00 18.08 C ATOM 732 CG PRO A 81 65.629 -48.849 -19.262 1.00 19.31 C ATOM 733 CD PRO A 81 64.939 -49.719 -20.262 1.00 18.12 C ATOM 734 N SER A 82 67.682 -52.419 -17.903 1.00 17.75 N ATOM 735 CA SER A 82 67.420 -53.430 -16.886 1.00 17.14 C ATOM 736 C SER A 82 67.265 -52.818 -15.496 1.00 17.42 C ATOM 737 O SER A 82 67.985 -51.846 -15.113 1.00 15.88 O ATOM 738 CB SER A 82 68.525 -54.487 -16.877 1.00 17.72 C ATOM 739 OG SER A 82 69.717 -53.975 -16.304 1.00 17.53 O ATOM 740 HG SER A 82 69.539 -53.694 -15.371 1.00 0.00 H ATOM 741 H SER A 82 68.606 -52.403 -18.380 1.00 0.00 H ATOM 742 N HIS A 83 66.325 -53.379 -14.737 1.00 16.44 N ATOM 743 CA HIS A 83 66.131 -53.034 -13.354 1.00 16.09 C ATOM 744 C HIS A 83 65.880 -51.562 -13.193 1.00 15.58 C ATOM 745 O HIS A 83 66.563 -50.871 -12.429 1.00 16.22 O ATOM 746 CB HIS A 83 67.318 -53.517 -12.517 1.00 16.88 C ATOM 747 CG HIS A 83 67.576 -54.989 -12.648 1.00 17.59 C ATOM 748 ND1 HIS A 83 66.649 -55.941 -12.272 1.00 16.67 N ATOM 749 CD2 HIS A 83 68.598 -55.669 -13.226 1.00 17.19 C ATOM 750 CE1 HIS A 83 67.100 -57.142 -12.591 1.00 17.12 C ATOM 751 NE2 HIS A 83 68.273 -57.004 -13.183 1.00 17.37 N ATOM 752 H HIS A 83 65.705 -54.097 -15.163 1.00 0.00 H ATOM 753 N THR A 84 64.849 -51.094 -13.905 1.00 15.14 N ATOM 754 CA THR A 84 64.376 -49.774 -13.799 1.00 15.61 C ATOM 755 C THR A 84 62.947 -49.786 -13.302 1.00 15.83 C ATOM 756 O THR A 84 62.087 -50.423 -13.896 1.00 15.92 O ATOM 757 CB THR A 84 64.415 -49.084 -15.157 1.00 15.23 C ATOM 758 OG1 THR A 84 65.768 -49.027 -15.614 1.00 16.98 O ATOM 759 CG2 THR A 84 63.841 -47.698 -15.061 1.00 16.08 C ATOM 760 HG1 THR A 84 66.126 -49.946 -15.696 1.00 0.00 H ATOM 761 H THR A 84 64.374 -51.738 -14.569 1.00 0.00 H ATOM 762 N LEU A 85 62.720 -49.155 -12.170 1.00 15.76 N ATOM 763 CA LEU A 85 61.378 -48.762 -11.769 1.00 15.82 C ATOM 764 C LEU A 85 61.003 -47.469 -12.453 1.00 16.65 C ATOM 765 O LEU A 85 61.700 -46.465 -12.309 1.00 17.38 O ATOM 766 CB LEU A 85 61.302 -48.569 -10.248 1.00 15.57 C ATOM 767 CG LEU A 85 59.891 -48.217 -9.762 1.00 15.88 C ATOM 768 CD1 LEU A 85 59.049 -49.476 -9.650 1.00 16.90 C ATOM 769 CD2 LEU A 85 59.927 -47.473 -8.452 1.00 16.54 C ATOM 770 H LEU A 85 63.521 -48.931 -11.546 1.00 0.00 H ATOM 771 N TRP A 86 59.915 -47.488 -13.214 1.00 16.64 N ATOM 772 CA TRP A 86 59.439 -46.279 -13.874 1.00 15.80 C ATOM 773 C TRP A 86 57.928 -46.152 -13.762 1.00 15.65 C ATOM 774 O TRP A 86 57.270 -46.959 -13.087 1.00 17.02 O ATOM 775 CB TRP A 86 59.896 -46.250 -15.355 1.00 16.18 C ATOM 776 CG TRP A 86 59.345 -47.346 -16.177 1.00 17.44 C ATOM 777 CD1 TRP A 86 59.798 -48.635 -16.232 1.00 16.96 C ATOM 778 CD2 TRP A 86 58.259 -47.266 -17.105 1.00 17.94 C ATOM 779 NE1 TRP A 86 59.055 -49.359 -17.124 1.00 16.95 N ATOM 780 CE2 TRP A 86 58.101 -48.548 -17.673 1.00 17.56 C ATOM 781 CE3 TRP A 86 57.406 -46.240 -17.514 1.00 18.15 C ATOM 782 CZ2 TRP A 86 57.105 -48.836 -18.609 1.00 18.19 C ATOM 783 CZ3 TRP A 86 56.417 -46.527 -18.454 1.00 18.73 C ATOM 784 CH2 TRP A 86 56.269 -47.812 -18.978 1.00 19.64 C ATOM 785 HE1 TRP A 86 59.194 -50.365 -17.348 1.00 0.00 H ATOM 786 H TRP A 86 59.395 -48.379 -13.341 1.00 0.00 H ATOM 787 N GLY A 87 57.392 -45.082 -14.339 1.00 16.69 N ATOM 788 CA GLY A 87 55.979 -44.811 -14.300 1.00 17.31 C ATOM 789 C GLY A 87 55.651 -43.642 -13.391 1.00 18.37 C ATOM 790 O GLY A 87 56.492 -42.757 -13.168 1.00 19.33 O ATOM 791 H GLY A 87 58.016 -44.416 -14.837 1.00 0.00 H ATOM 792 N LYS A 88 54.443 -43.658 -12.846 1.00 18.92 N ATOM 793 CA LYS A 88 53.958 -42.592 -12.009 1.00 20.53 C ATOM 794 C LYS A 88 54.057 -42.966 -10.532 1.00 20.78 C ATOM 795 O LYS A 88 53.502 -43.998 -10.090 1.00 19.61 O ATOM 796 CB LYS A 88 52.509 -42.264 -12.364 1.00 22.59 C ATOM 797 CG LYS A 88 52.301 -41.852 -13.820 1.00 26.40 C ATOM 798 CD LYS A 88 50.831 -41.604 -14.119 1.00 30.57 C ATOM 799 CE LYS A 88 50.525 -41.715 -15.612 1.00 35.91 C ATOM 800 NZ LYS A 88 51.218 -40.671 -16.413 1.00 38.41 N ATOM 801 HZ1 LYS A 88 50.913 -39.730 -16.092 1.00 0.00 H ATOM 802 HZ2 LYS A 88 52.246 -40.765 -16.288 1.00 0.00 H ATOM 803 HZ3 LYS A 88 50.978 -40.790 -17.418 1.00 0.00 H ATOM 804 H LYS A 88 53.822 -44.472 -13.030 1.00 0.00 H ATOM 805 N LEU A 89 54.755 -42.133 -9.764 1.00 18.40 N ATOM 806 CA LEU A 89 54.784 -42.269 -8.323 1.00 17.47 C ATOM 807 C LEU A 89 53.931 -41.173 -7.663 1.00 18.59 C ATOM 808 O LEU A 89 54.269 -39.991 -7.737 1.00 17.88 O ATOM 809 CB LEU A 89 56.210 -42.189 -7.829 1.00 17.73 C ATOM 810 CG LEU A 89 56.409 -42.398 -6.329 1.00 17.97 C ATOM 811 CD1 LEU A 89 56.025 -43.820 -5.933 1.00 18.50 C ATOM 812 CD2 LEU A 89 57.864 -42.112 -5.962 1.00 18.03 C ATOM 813 H LEU A 89 55.294 -41.364 -10.211 1.00 0.00 H ATOM 814 N ASP A 90 52.827 -41.582 -7.022 1.00 18.16 N ATOM 815 CA ASP A 90 51.919 -40.640 -6.318 1.00 19.72 C ATOM 816 C ASP A 90 52.185 -40.590 -4.843 1.00 18.44 C ATOM 817 O ASP A 90 51.976 -39.559 -4.214 1.00 18.17 O ATOM 818 CB ASP A 90 50.437 -41.014 -6.523 1.00 21.01 C ATOM 819 CG ASP A 90 49.451 -40.108 -5.647 1.00 23.99 C ATOM 820 OD1 ASP A 90 49.147 -38.981 -6.078 1.00 28.01 O ATOM 821 OD2 ASP A 90 49.033 -40.533 -4.513 1.00 25.10 O ATOM 822 H ASP A 90 52.598 -42.596 -7.017 1.00 0.00 H ATOM 823 N SER A 91 52.563 -41.726 -4.247 1.00 18.08 N ATOM 824 CA SER A 91 52.637 -41.788 -2.777 1.00 17.70 C ATOM 825 C SER A 91 53.750 -42.634 -2.243 1.00 17.50 C ATOM 826 O SER A 91 54.170 -43.630 -2.866 1.00 16.26 O ATOM 827 CB SER A 91 51.284 -42.227 -2.186 1.00 19.16 C ATOM 828 OG SER A 91 51.038 -43.604 -2.436 1.00 22.96 O ATOM 829 HG SER A 91 51.755 -44.147 -2.022 1.00 0.00 H ATOM 830 H SER A 91 52.803 -42.561 -4.818 1.00 0.00 H ATOM 831 N ILE A 92 54.296 -42.194 -1.111 1.00 16.95 N ATOM 832 CA ILE A 92 55.216 -42.990 -0.320 1.00 16.99 C ATOM 833 C ILE A 92 54.716 -43.023 1.110 1.00 17.56 C ATOM 834 O ILE A 92 54.520 -41.957 1.746 1.00 17.64 O ATOM 835 CB ILE A 92 56.641 -42.366 -0.313 1.00 17.17 C ATOM 836 CG1 ILE A 92 57.302 -42.489 -1.692 1.00 17.71 C ATOM 837 CG2 ILE A 92 57.498 -43.010 0.755 1.00 17.52 C ATOM 838 CD1 ILE A 92 57.675 -43.898 -2.080 1.00 18.76 C ATOM 839 H ILE A 92 54.053 -41.239 -0.780 1.00 0.00 H ATOM 840 N ALA A 93 54.470 -44.222 1.622 1.00 16.63 N ATOM 841 CA ALA A 93 54.030 -44.377 2.981 1.00 17.24 C ATOM 842 C ALA A 93 55.082 -45.142 3.754 1.00 17.78 C ATOM 843 O ALA A 93 55.580 -46.158 3.279 1.00 18.15 O ATOM 844 CB ALA A 93 52.686 -45.116 3.028 1.00 17.27 C ATOM 845 H ALA A 93 54.598 -45.066 1.028 1.00 0.00 H ATOM 846 N LEU A 94 55.447 -44.613 4.934 1.00 17.69 N ATOM 847 CA LEU A 94 56.502 -45.186 5.774 1.00 17.46 C ATOM 848 C LEU A 94 55.928 -45.566 7.103 1.00 17.91 C ATOM 849 O LEU A 94 55.149 -44.807 7.694 1.00 17.83 O ATOM 850 CB LEU A 94 57.624 -44.165 6.008 1.00 18.46 C ATOM 851 CG LEU A 94 58.188 -43.466 4.784 1.00 18.33 C ATOM 852 CD1 LEU A 94 59.215 -42.428 5.203 1.00 18.42 C ATOM 853 CD2 LEU A 94 58.804 -44.473 3.832 1.00 18.84 C ATOM 854 H LEU A 94 54.958 -43.757 5.266 1.00 0.00 H ATOM 855 N GLY A 95 56.315 -46.730 7.608 1.00 18.01 N ATOM 856 CA GLY A 95 55.766 -47.213 8.850 1.00 18.38 C ATOM 857 C GLY A 95 56.288 -48.577 9.241 1.00 20.02 C ATOM 858 O GLY A 95 57.353 -49.022 8.764 1.00 18.59 O ATOM 859 H GLY A 95 57.022 -47.300 7.102 1.00 0.00 H ATOM 860 N ASP A 96 55.566 -49.234 10.136 1.00 20.85 N ATOM 861 CA ASP A 96 55.968 -50.546 10.612 1.00 21.72 C ATOM 862 C ASP A 96 54.964 -51.593 10.178 1.00 20.22 C ATOM 863 O ASP A 96 53.739 -51.315 10.071 1.00 20.89 O ATOM 864 CB ASP A 96 56.091 -50.562 12.160 1.00 22.73 C ATOM 865 CG ASP A 96 57.272 -49.713 12.682 1.00 24.88 C ATOM 866 OD1 ASP A 96 58.255 -49.473 11.923 1.00 26.73 O ATOM 867 OD2 ASP A 96 57.237 -49.349 13.884 1.00 28.08 O ATOM 868 H ASP A 96 54.695 -48.802 10.505 1.00 0.00 H ATOM 869 N THR A 97 55.472 -52.795 9.942 1.00 20.27 N ATOM 870 CA THR A 97 54.663 -54.007 9.840 1.00 20.27 C ATOM 871 C THR A 97 53.829 -54.050 8.557 1.00 18.95 C ATOM 872 O THR A 97 52.613 -53.794 8.565 1.00 19.66 O ATOM 873 CB THR A 97 53.785 -54.218 11.097 1.00 21.37 C ATOM 874 OG1 THR A 97 54.593 -54.049 12.273 1.00 20.79 O ATOM 875 CG2 THR A 97 53.183 -55.626 11.105 1.00 21.20 C ATOM 876 HG1 THR A 97 54.033 -54.184 13.079 1.00 0.00 H ATOM 877 H THR A 97 56.502 -52.879 9.823 1.00 0.00 H ATOM 878 N LEU A 98 54.493 -54.444 7.469 1.00 17.36 N ATOM 879 CA LEU A 98 53.859 -54.646 6.200 1.00 17.90 C ATOM 880 C LEU A 98 53.010 -55.923 6.201 1.00 18.75 C ATOM 881 O LEU A 98 53.452 -56.962 6.657 1.00 19.08 O ATOM 882 CB LEU A 98 54.922 -54.747 5.121 1.00 18.17 C ATOM 883 CG LEU A 98 54.420 -54.875 3.696 1.00 18.32 C ATOM 884 CD1 LEU A 98 53.826 -53.568 3.215 1.00 17.88 C ATOM 885 CD2 LEU A 98 55.537 -55.328 2.785 1.00 19.72 C ATOM 886 H LEU A 98 55.516 -54.612 7.545 1.00 0.00 H ATOM 887 N THR A 99 51.821 -55.842 5.610 1.00 20.64 N ATOM 888 CA THR A 99 50.948 -57.000 5.472 1.00 20.02 C ATOM 889 C THR A 99 50.389 -57.063 4.092 1.00 19.88 C ATOM 890 O THR A 99 50.395 -56.072 3.362 1.00 19.57 O ATOM 891 CB THR A 99 49.767 -56.930 6.450 1.00 20.81 C ATOM 892 OG1 THR A 99 48.911 -55.818 6.100 1.00 19.42 O ATOM 893 CG2 THR A 99 50.258 -56.774 7.863 1.00 21.89 C ATOM 894 HG1 THR A 99 48.151 -55.776 6.733 1.00 0.00 H ATOM 895 H THR A 99 51.505 -54.925 5.235 1.00 0.00 H ATOM 896 N GLY A 100 49.882 -58.227 3.727 1.00 19.13 N ATOM 897 CA GLY A 100 49.149 -58.381 2.502 1.00 19.41 C ATOM 898 C GLY A 100 50.059 -58.564 1.315 1.00 19.93 C ATOM 899 O GLY A 100 51.166 -59.051 1.445 1.00 19.69 O ATOM 900 H GLY A 100 50.017 -59.054 4.343 1.00 0.00 H ATOM 901 N GLY A 101 49.584 -58.156 0.164 1.00 20.47 N ATOM 902 CA GLY A 101 50.199 -58.512 -1.096 1.00 20.30 C ATOM 903 C GLY A 101 49.175 -58.672 -2.169 1.00 20.66 C ATOM 904 O GLY A 101 47.978 -58.429 -1.945 1.00 19.99 O ATOM 905 H GLY A 101 48.735 -57.555 0.156 1.00 0.00 H ATOM 906 N ALA A 102 49.626 -59.097 -3.345 1.00 19.76 N ATOM 907 CA ALA A 102 48.753 -59.236 -4.477 1.00 20.30 C ATOM 908 C ALA A 102 47.645 -60.247 -4.181 1.00 20.06 C ATOM 909 O ALA A 102 46.503 -60.051 -4.578 1.00 19.32 O ATOM 910 CB ALA A 102 49.535 -59.664 -5.686 1.00 21.23 C ATOM 911 H ALA A 102 50.633 -59.334 -3.448 1.00 0.00 H ATOM 912 N SER A 103 47.998 -61.309 -3.464 1.00 20.74 N ATOM 913 CA SER A 103 47.077 -62.438 -3.229 1.00 23.99 C ATOM 914 C SER A 103 45.899 -62.036 -2.339 1.00 25.00 C ATOM 915 O SER A 103 44.863 -62.676 -2.364 1.00 26.87 O ATOM 916 CB SER A 103 47.826 -63.618 -2.591 1.00 23.72 C ATOM 917 OG SER A 103 48.188 -63.334 -1.242 1.00 22.60 O ATOM 918 HG SER A 103 48.776 -62.538 -1.220 1.00 0.00 H ATOM 919 H SER A 103 48.954 -61.346 -3.056 1.00 0.00 H ATOM 920 N SER A 104 46.075 -60.987 -1.538 1.00 23.90 N ATOM 921 CA SER A 104 45.018 -60.550 -0.625 1.00 23.95 C ATOM 922 C SER A 104 44.413 -59.222 -1.034 1.00 21.66 C ATOM 923 O SER A 104 43.615 -58.650 -0.307 1.00 22.16 O ATOM 924 CB SER A 104 45.545 -60.481 0.817 1.00 26.19 C ATOM 925 OG SER A 104 46.592 -59.553 0.940 1.00 27.21 O ATOM 926 HG SER A 104 46.267 -58.654 0.682 1.00 0.00 H ATOM 927 H SER A 104 46.977 -60.470 -1.562 1.00 0.00 H ATOM 928 N GLY A 105 44.772 -58.743 -2.209 1.00 19.06 N ATOM 929 CA GLY A 105 44.106 -57.584 -2.790 1.00 18.98 C ATOM 930 C GLY A 105 44.773 -56.257 -2.465 1.00 18.73 C ATOM 931 O GLY A 105 44.227 -55.189 -2.766 1.00 20.41 O ATOM 932 H GLY A 105 45.546 -59.201 -2.731 1.00 0.00 H ATOM 933 N GLY A 106 45.977 -56.317 -1.886 1.00 19.53 N ATOM 934 CA GLY A 106 46.763 -55.087 -1.631 1.00 17.90 C ATOM 935 C GLY A 106 47.710 -55.208 -0.465 1.00 17.03 C ATOM 936 O GLY A 106 47.517 -56.045 0.443 1.00 15.79 O ATOM 937 H GLY A 106 46.367 -57.241 -1.611 1.00 0.00 H ATOM 938 N TYR A 107 48.752 -54.371 -0.480 1.00 16.14 N ATOM 939 CA TYR A 107 49.629 -54.204 0.670 1.00 15.45 C ATOM 940 C TYR A 107 49.095 -53.170 1.638 1.00 15.46 C ATOM 941 O TYR A 107 48.513 -52.179 1.235 1.00 17.16 O ATOM 942 CB TYR A 107 51.016 -53.757 0.214 1.00 15.23 C ATOM 943 CG TYR A 107 51.795 -54.806 -0.512 1.00 15.73 C ATOM 944 CD1 TYR A 107 52.435 -55.820 0.176 1.00 15.92 C ATOM 945 CD2 TYR A 107 51.953 -54.745 -1.886 1.00 16.59 C ATOM 946 CE1 TYR A 107 53.213 -56.773 -0.495 1.00 17.15 C ATOM 947 CE2 TYR A 107 52.718 -55.684 -2.566 1.00 17.71 C ATOM 948 CZ TYR A 107 53.353 -56.692 -1.859 1.00 17.26 C ATOM 949 OH TYR A 107 54.102 -57.637 -2.544 1.00 17.37 O ATOM 950 HH TYR A 107 54.487 -58.282 -1.899 1.00 0.00 H ATOM 951 H TYR A 107 48.943 -53.821 -1.342 1.00 0.00 H ATOM 952 N ALA A 108 49.415 -53.351 2.910 1.00 15.66 N ATOM 953 CA ALA A 108 49.064 -52.378 3.939 1.00 16.46 C ATOM 954 C ALA A 108 50.115 -52.344 5.006 1.00 16.30 C ATOM 955 O ALA A 108 50.851 -53.305 5.197 1.00 17.15 O ATOM 956 CB ALA A 108 47.705 -52.709 4.551 1.00 16.98 C ATOM 957 H ALA A 108 49.931 -54.211 3.183 1.00 0.00 H ATOM 958 N LEU A 109 50.197 -51.217 5.696 1.00 16.97 N ATOM 959 CA LEU A 109 50.967 -51.110 6.921 1.00 17.49 C ATOM 960 C LEU A 109 50.041 -51.181 8.117 1.00 18.84 C ATOM 961 O LEU A 109 49.015 -50.507 8.152 1.00 19.81 O ATOM 962 CB LEU A 109 51.725 -49.774 6.952 1.00 18.08 C ATOM 963 CG LEU A 109 52.703 -49.539 5.823 1.00 17.77 C ATOM 964 CD1 LEU A 109 53.212 -48.109 5.850 1.00 18.86 C ATOM 965 CD2 LEU A 109 53.842 -50.523 5.892 1.00 18.48 C ATOM 966 H LEU A 109 49.691 -50.378 5.347 1.00 0.00 H ATOM 967 N ASP A 110 50.418 -51.974 9.116 1.00 20.73 N ATOM 968 CA ASP A 110 49.705 -51.975 10.397 1.00 21.99 C ATOM 969 C ASP A 110 49.796 -50.594 11.042 1.00 24.32 C ATOM 970 O ASP A 110 48.802 -50.067 11.544 1.00 22.83 O ATOM 971 CB ASP A 110 50.312 -53.019 11.348 1.00 22.28 C ATOM 972 CG ASP A 110 49.683 -54.399 11.198 1.00 23.67 C ATOM 973 OD1 ASP A 110 48.851 -54.600 10.288 1.00 25.56 O ATOM 974 OD2 ASP A 110 49.999 -55.265 12.013 1.00 24.55 O ATOM 975 H ASP A 110 51.234 -52.605 8.986 1.00 0.00 H ATOM 976 N SER A 111 51.010 -50.030 11.037 1.00 24.18 N ATOM 977 CA SER A 111 51.322 -48.817 11.806 1.00 24.67 C ATOM 978 C SER A 111 52.067 -47.819 10.930 1.00 22.34 C ATOM 979 O SER A 111 53.294 -47.821 10.873 1.00 25.17 O ATOM 980 CB SER A 111 52.181 -49.161 13.020 1.00 24.66 C ATOM 981 OG SER A 111 51.606 -50.208 13.770 1.00 29.09 O ATOM 982 HG SER A 111 52.183 -50.410 14.549 1.00 0.00 H ATOM 983 H SER A 111 51.762 -50.467 10.467 1.00 0.00 H ATOM 984 N GLN A 112 51.327 -46.979 10.253 1.00 20.93 N ATOM 985 CA GLN A 112 51.921 -45.949 9.433 1.00 20.99 C ATOM 986 C GLN A 112 52.430 -44.809 10.324 1.00 21.97 C ATOM 987 O GLN A 112 51.716 -44.352 11.215 1.00 22.67 O ATOM 988 CB GLN A 112 50.898 -45.422 8.441 1.00 21.72 C ATOM 989 CG GLN A 112 51.423 -44.308 7.557 1.00 22.04 C ATOM 990 CD GLN A 112 50.403 -43.831 6.579 1.00 23.08 C ATOM 991 OE1 GLN A 112 50.127 -44.498 5.586 1.00 27.65 O ATOM 992 NE2 GLN A 112 49.822 -42.655 6.845 1.00 22.38 N ATOM 993 HE22 GLN A 112 50.088 -42.125 7.699 1.00 0.00 H ATOM 994 HE21 GLN A 112 49.104 -42.271 6.197 1.00 0.00 H ATOM 995 H GLN A 112 50.291 -47.054 10.306 1.00 0.00 H ATOM 996 N GLU A 113 53.676 -44.376 10.086 1.00 21.67 N ATOM 997 CA GLU A 113 54.229 -43.169 10.741 1.00 21.10 C ATOM 998 C GLU A 113 53.890 -41.913 9.925 1.00 21.00 C ATOM 999 O GLU A 113 53.184 -41.026 10.387 1.00 20.19 O ATOM 1000 CB GLU A 113 55.746 -43.288 10.868 1.00 21.77 C ATOM 1001 CG GLU A 113 56.218 -44.263 11.931 1.00 23.34 C ATOM 1002 CD GLU A 113 57.735 -44.464 11.916 1.00 25.06 C ATOM 1003 OE1 GLU A 113 58.432 -43.745 11.170 1.00 27.37 O ATOM 1004 OE2 GLU A 113 58.231 -45.328 12.668 1.00 26.40 O ATOM 1005 H GLU A 113 54.274 -44.905 9.419 1.00 0.00 H ATOM 1006 N VAL A 114 54.392 -41.873 8.699 1.00 18.74 N ATOM 1007 CA VAL A 114 54.301 -40.705 7.870 1.00 19.41 C ATOM 1008 C VAL A 114 53.988 -41.122 6.439 1.00 18.92 C ATOM 1009 O VAL A 114 54.508 -42.106 5.963 1.00 19.11 O ATOM 1010 CB VAL A 114 55.620 -39.939 7.877 1.00 18.92 C ATOM 1011 CG1 VAL A 114 55.586 -38.802 6.845 1.00 19.62 C ATOM 1012 CG2 VAL A 114 55.909 -39.409 9.275 1.00 20.04 C ATOM 1013 H VAL A 114 54.869 -42.718 8.324 1.00 0.00 H ATOM 1014 N SER A 115 53.199 -40.327 5.738 1.00 19.23 N ATOM 1015 CA SER A 115 53.022 -40.546 4.303 1.00 19.28 C ATOM 1016 C SER A 115 53.075 -39.255 3.500 1.00 18.11 C ATOM 1017 O SER A 115 52.665 -38.172 3.981 1.00 20.44 O ATOM 1018 CB SER A 115 51.725 -41.314 4.021 1.00 18.59 C ATOM 1019 OG SER A 115 50.596 -40.507 4.184 1.00 20.46 O ATOM 1020 HG SER A 115 50.646 -39.741 3.558 1.00 0.00 H ATOM 1021 H SER A 115 52.703 -39.543 6.208 1.00 0.00 H ATOM 1022 N PHE A 116 53.633 -39.356 2.309 1.00 16.72 N ATOM 1023 CA PHE A 116 53.616 -38.265 1.340 1.00 17.41 C ATOM 1024 C PHE A 116 52.855 -38.688 0.114 1.00 17.81 C ATOM 1025 O PHE A 116 53.199 -39.695 -0.514 1.00 16.35 O ATOM 1026 CB PHE A 116 55.039 -37.884 0.948 1.00 18.27 C ATOM 1027 CG PHE A 116 55.993 -37.799 2.121 1.00 18.75 C ATOM 1028 CD1 PHE A 116 56.663 -38.936 2.581 1.00 19.02 C ATOM 1029 CD2 PHE A 116 56.221 -36.583 2.764 1.00 19.72 C ATOM 1030 CE1 PHE A 116 57.540 -38.861 3.655 1.00 19.64 C ATOM 1031 CE2 PHE A 116 57.072 -36.509 3.856 1.00 18.65 C ATOM 1032 CZ PHE A 116 57.756 -37.642 4.286 1.00 20.74 C ATOM 1033 H PHE A 116 54.103 -40.247 2.051 1.00 0.00 H ATOM 1034 N SER A 117 51.846 -37.885 -0.260 1.00 17.69 N ATOM 1035 CA SER A 117 51.014 -38.192 -1.409 1.00 18.67 C ATOM 1036 C SER A 117 50.900 -36.993 -2.348 1.00 18.99 C ATOM 1037 O SER A 117 51.324 -35.847 -1.996 1.00 18.72 O ATOM 1038 CB SER A 117 49.620 -38.635 -0.953 1.00 19.40 C ATOM 1039 OG SER A 117 48.844 -37.526 -0.545 1.00 20.38 O ATOM 1040 HG SER A 117 49.295 -37.069 0.209 1.00 0.00 H ATOM 1041 H SER A 117 51.656 -37.021 0.287 1.00 0.00 H ATOM 1042 N ASN A 118 50.282 -37.228 -3.510 1.00 18.75 N ATOM 1043 CA ASN A 118 50.231 -36.260 -4.601 1.00 20.30 C ATOM 1044 C ASN A 118 51.596 -35.803 -4.998 1.00 20.90 C ATOM 1045 O ASN A 118 51.809 -34.630 -5.262 1.00 23.22 O ATOM 1046 CB ASN A 118 49.346 -35.061 -4.227 1.00 23.57 C ATOM 1047 CG ASN A 118 47.942 -35.475 -3.855 1.00 25.93 C ATOM 1048 OD1 ASN A 118 47.483 -36.550 -4.224 1.00 28.39 O ATOM 1049 ND2 ASN A 118 47.260 -34.634 -3.105 1.00 30.63 N ATOM 1050 HD22 ASN A 118 47.688 -33.732 -2.814 1.00 0.00 H ATOM 1051 HD21 ASN A 118 46.294 -34.872 -2.804 1.00 0.00 H ATOM 1052 H ASN A 118 49.814 -38.147 -3.643 1.00 0.00 H ATOM 1053 N LEU A 119 52.522 -36.745 -5.103 1.00 19.31 N ATOM 1054 CA LEU A 119 53.901 -36.418 -5.448 1.00 19.49 C ATOM 1055 C LEU A 119 54.032 -36.039 -6.916 1.00 19.38 C ATOM 1056 O LEU A 119 54.909 -35.267 -7.286 1.00 18.50 O ATOM 1057 CB LEU A 119 54.837 -37.584 -5.120 1.00 18.69 C ATOM 1058 CG LEU A 119 54.879 -38.002 -3.652 1.00 20.47 C ATOM 1059 CD1 LEU A 119 55.748 -39.229 -3.472 1.00 19.46 C ATOM 1060 CD2 LEU A 119 55.378 -36.854 -2.773 1.00 20.40 C ATOM 1061 H LEU A 119 52.260 -37.738 -4.936 1.00 0.00 H ATOM 1062 N GLY A 120 53.163 -36.590 -7.747 1.00 18.54 N ATOM 1063 CA GLY A 120 53.066 -36.169 -9.154 1.00 18.78 C ATOM 1064 C GLY A 120 54.316 -36.466 -9.965 1.00 19.20 C ATOM 1065 O GLY A 120 54.568 -35.820 -10.964 1.00 21.31 O ATOM 1066 H GLY A 120 52.532 -37.340 -7.397 1.00 0.00 H ATOM 1067 N LEU A 121 55.080 -37.469 -9.543 1.00 18.15 N ATOM 1068 CA LEU A 121 56.300 -37.847 -10.234 1.00 19.33 C ATOM 1069 C LEU A 121 55.970 -38.806 -11.357 1.00 21.07 C ATOM 1070 O LEU A 121 55.061 -39.613 -11.236 1.00 21.29 O ATOM 1071 CB LEU A 121 57.280 -38.494 -9.270 1.00 19.55 C ATOM 1072 CG LEU A 121 57.805 -37.599 -8.129 1.00 19.72 C ATOM 1073 CD1 LEU A 121 58.665 -38.412 -7.179 1.00 19.79 C ATOM 1074 CD2 LEU A 121 58.597 -36.431 -8.681 1.00 20.83 C ATOM 1075 H LEU A 121 54.796 -37.998 -8.694 1.00 0.00 H ATOM 1076 N ASP A 122 56.675 -38.679 -12.463 1.00 20.14 N ATOM 1077 CA ASP A 122 56.367 -39.458 -13.659 1.00 23.08 C ATOM 1078 C ASP A 122 57.594 -39.570 -14.525 1.00 22.26 C ATOM 1079 O ASP A 122 58.051 -38.576 -15.102 1.00 24.46 O ATOM 1080 CB ASP A 122 55.224 -38.804 -14.443 1.00 26.28 C ATOM 1081 CG ASP A 122 54.681 -39.705 -15.558 1.00 28.99 C ATOM 1082 OD1 ASP A 122 55.287 -40.760 -15.822 1.00 30.88 O ATOM 1083 OD2 ASP A 122 53.639 -39.359 -16.143 1.00 32.52 O ATOM 1084 H ASP A 122 57.469 -38.008 -12.485 1.00 0.00 H ATOM 1085 N SER A 123 58.186 -40.758 -14.545 1.00 18.93 N ATOM 1086 CA SER A 123 59.395 -40.994 -15.281 1.00 18.55 C ATOM 1087 C SER A 123 59.133 -42.028 -16.372 1.00 18.89 C ATOM 1088 O SER A 123 58.455 -43.043 -16.131 1.00 18.24 O ATOM 1089 CB SER A 123 60.511 -41.486 -14.347 1.00 18.46 C ATOM 1090 OG SER A 123 60.672 -40.614 -13.210 1.00 17.91 O ATOM 1091 HG SER A 123 60.904 -39.704 -13.524 1.00 0.00 H ATOM 1092 H SER A 123 57.760 -41.542 -14.011 1.00 0.00 H ATOM 1093 N PRO A 124 59.645 -41.771 -17.580 1.00 19.21 N ATOM 1094 CA PRO A 124 59.497 -42.697 -18.696 1.00 18.76 C ATOM 1095 C PRO A 124 60.494 -43.801 -18.636 1.00 18.06 C ATOM 1096 O PRO A 124 61.570 -43.639 -18.063 1.00 17.19 O ATOM 1097 CB PRO A 124 59.779 -41.813 -19.915 1.00 18.98 C ATOM 1098 CG PRO A 124 60.765 -40.824 -19.408 1.00 19.17 C ATOM 1099 CD PRO A 124 60.346 -40.537 -17.986 1.00 19.68 C ATOM 1100 N ILE A 125 60.183 -44.902 -19.294 1.00 18.53 N ATOM 1101 CA ILE A 125 61.054 -46.056 -19.292 1.00 18.10 C ATOM 1102 C ILE A 125 62.441 -45.752 -19.852 1.00 18.77 C ATOM 1103 O ILE A 125 63.422 -46.237 -19.346 1.00 18.13 O ATOM 1104 CB ILE A 125 60.422 -47.255 -20.064 1.00 17.89 C ATOM 1105 CG1 ILE A 125 61.256 -48.523 -19.848 1.00 17.38 C ATOM 1106 CG2 ILE A 125 60.308 -46.951 -21.554 1.00 18.92 C ATOM 1107 CD1 ILE A 125 60.544 -49.799 -20.285 1.00 17.22 C ATOM 1108 H ILE A 125 59.290 -44.940 -19.826 1.00 0.00 H ATOM 1109 N ALA A 126 62.515 -44.937 -20.906 1.00 20.49 N ATOM 1110 CA ALA A 126 63.781 -44.766 -21.630 1.00 20.41 C ATOM 1111 C ALA A 126 64.827 -43.992 -20.786 1.00 21.24 C ATOM 1112 O ALA A 126 65.999 -44.019 -21.089 1.00 25.33 O ATOM 1113 CB ALA A 126 63.544 -44.060 -22.975 1.00 20.62 C ATOM 1114 H ALA A 126 61.669 -44.419 -21.217 1.00 0.00 H ATOM 1115 N GLN A 127 64.383 -43.383 -19.689 1.00 22.25 N ATOM 1116 CA GLN A 127 65.292 -42.703 -18.772 1.00 21.91 C ATOM 1117 C GLN A 127 66.068 -43.733 -17.896 1.00 21.59 C ATOM 1118 O GLN A 127 67.101 -43.414 -17.313 1.00 22.42 O ATOM 1119 CB GLN A 127 64.504 -41.718 -17.889 1.00 23.80 C ATOM 1120 CG GLN A 127 65.258 -40.459 -17.529 1.00 26.73 C ATOM 1121 CD GLN A 127 64.343 -39.343 -17.040 1.00 27.15 C ATOM 1122 OE1 GLN A 127 63.216 -39.590 -16.570 1.00 27.43 O ATOM 1123 NE2 GLN A 127 64.814 -38.115 -17.147 1.00 27.45 N ATOM 1124 HE22 GLN A 127 65.761 -37.954 -17.546 1.00 0.00 H ATOM 1125 HE21 GLN A 127 64.238 -37.308 -16.833 1.00 0.00 H ATOM 1126 H GLN A 127 63.364 -43.392 -19.480 1.00 0.00 H ATOM 1127 N GLY A 128 65.596 -44.979 -17.871 1.00 19.66 N ATOM 1128 CA GLY A 128 66.284 -46.021 -17.133 1.00 18.47 C ATOM 1129 C GLY A 128 66.466 -45.634 -15.678 1.00 18.11 C ATOM 1130 O GLY A 128 65.635 -44.936 -15.114 1.00 17.47 O ATOM 1131 H GLY A 128 64.723 -45.207 -18.388 1.00 0.00 H ATOM 1132 N ARG A 129 67.595 -46.038 -15.094 1.00 17.82 N ATOM 1133 CA ARG A 129 67.844 -45.833 -13.673 1.00 19.45 C ATOM 1134 C ARG A 129 68.212 -44.375 -13.345 1.00 21.29 C ATOM 1135 O ARG A 129 68.377 -44.025 -12.183 1.00 19.92 O ATOM 1136 CB ARG A 129 68.948 -46.761 -13.184 1.00 19.47 C ATOM 1137 CG ARG A 129 68.611 -48.236 -13.315 1.00 19.31 C ATOM 1138 CD ARG A 129 69.722 -49.112 -12.779 1.00 19.37 C ATOM 1139 NE ARG A 129 69.713 -50.425 -13.400 1.00 21.15 N ATOM 1140 CZ ARG A 129 70.710 -51.300 -13.320 1.00 20.43 C ATOM 1141 NH1 ARG A 129 71.821 -50.980 -12.691 1.00 20.75 N ATOM 1142 NH2 ARG A 129 70.615 -52.477 -13.930 1.00 20.66 N ATOM 1143 HE ARG A 129 68.870 -50.699 -13.944 1.00 0.00 H ATOM 1144 HH12 ARG A 129 72.600 -51.666 -12.630 1.00 0.00 H ATOM 1145 HH11 ARG A 129 71.920 -50.041 -12.255 1.00 0.00 H ATOM 1146 HH22 ARG A 129 71.396 -53.160 -13.866 1.00 0.00 H ATOM 1147 HH21 ARG A 129 69.759 -52.715 -14.471 1.00 0.00 H ATOM 1148 H ARG A 129 68.319 -46.513 -15.670 1.00 0.00 H ATOM 1149 N ASP A 130 68.266 -43.524 -14.365 1.00 21.21 N ATOM 1150 CA ASP A 130 68.383 -42.053 -14.132 1.00 22.62 C ATOM 1151 C ASP A 130 67.037 -41.367 -13.917 1.00 21.21 C ATOM 1152 O ASP A 130 66.982 -40.162 -13.633 1.00 21.35 O ATOM 1153 CB ASP A 130 69.112 -41.399 -15.281 1.00 23.92 C ATOM 1154 CG ASP A 130 70.533 -41.845 -15.383 1.00 25.35 C ATOM 1155 OD1 ASP A 130 71.247 -41.803 -14.351 1.00 26.57 O ATOM 1156 OD2 ASP A 130 70.960 -42.226 -16.500 1.00 27.73 O ATOM 1157 H ASP A 130 68.226 -43.887 -15.339 1.00 0.00 H ATOM 1158 N GLY A 131 65.949 -42.116 -14.056 1.00 19.66 N ATOM 1159 CA GLY A 131 64.638 -41.589 -13.769 1.00 18.54 C ATOM 1160 C GLY A 131 64.468 -41.207 -12.298 1.00 17.31 C ATOM 1161 O GLY A 131 64.954 -41.893 -11.411 1.00 17.64 O ATOM 1162 H GLY A 131 66.044 -43.100 -14.378 1.00 0.00 H ATOM 1163 N THR A 132 63.772 -40.108 -12.057 1.00 17.78 N ATOM 1164 CA THR A 132 63.484 -39.656 -10.701 1.00 18.09 C ATOM 1165 C THR A 132 62.724 -40.709 -9.896 1.00 17.54 C ATOM 1166 O THR A 132 63.025 -40.939 -8.726 1.00 18.09 O ATOM 1167 CB THR A 132 62.668 -38.360 -10.722 1.00 19.02 C ATOM 1168 OG1 THR A 132 63.418 -37.339 -11.423 1.00 18.77 O ATOM 1169 CG2 THR A 132 62.362 -37.889 -9.304 1.00 18.41 C ATOM 1170 HG1 THR A 132 63.593 -37.638 -12.350 1.00 0.00 H ATOM 1171 H THR A 132 63.419 -39.549 -12.860 1.00 0.00 H ATOM 1172 N VAL A 133 61.729 -41.336 -10.523 1.00 16.77 N ATOM 1173 CA VAL A 133 60.927 -42.354 -9.842 1.00 16.66 C ATOM 1174 C VAL A 133 61.816 -43.489 -9.351 1.00 15.77 C ATOM 1175 O VAL A 133 61.747 -43.882 -8.162 1.00 16.71 O ATOM 1176 CB VAL A 133 59.809 -42.888 -10.753 1.00 16.86 C ATOM 1177 CG1 VAL A 133 59.223 -44.189 -10.188 1.00 18.00 C ATOM 1178 CG2 VAL A 133 58.727 -41.839 -10.905 1.00 16.75 C ATOM 1179 H VAL A 133 61.519 -41.098 -11.513 1.00 0.00 H ATOM 1180 N HIS A 134 62.704 -43.972 -10.221 1.00 15.17 N ATOM 1181 CA HIS A 134 63.624 -45.019 -9.837 1.00 15.57 C ATOM 1182 C HIS A 134 64.493 -44.599 -8.658 1.00 17.34 C ATOM 1183 O HIS A 134 64.641 -45.343 -7.686 1.00 15.53 O ATOM 1184 CB HIS A 134 64.499 -45.417 -10.977 1.00 15.22 C ATOM 1185 CG HIS A 134 65.459 -46.497 -10.634 1.00 15.34 C ATOM 1186 ND1 HIS A 134 65.131 -47.825 -10.701 1.00 15.62 N ATOM 1187 CD2 HIS A 134 66.726 -46.446 -10.158 1.00 16.42 C ATOM 1188 CE1 HIS A 134 66.151 -48.552 -10.285 1.00 16.71 C ATOM 1189 NE2 HIS A 134 67.132 -47.734 -9.949 1.00 17.73 N ATOM 1190 H HIS A 134 62.735 -43.591 -11.188 1.00 0.00 H ATOM 1191 N LYS A 135 65.107 -43.437 -8.770 1.00 17.65 N ATOM 1192 CA LYS A 135 66.067 -42.979 -7.762 1.00 18.39 C ATOM 1193 C LYS A 135 65.403 -42.751 -6.411 1.00 17.04 C ATOM 1194 O LYS A 135 65.996 -43.035 -5.358 1.00 15.77 O ATOM 1195 CB LYS A 135 66.749 -41.690 -8.240 1.00 21.57 C ATOM 1196 CG LYS A 135 67.888 -41.949 -9.220 1.00 23.93 C ATOM 1197 CD LYS A 135 67.891 -40.970 -10.384 1.00 29.49 C ATOM 1198 CE LYS A 135 68.398 -39.612 -9.993 1.00 31.60 C ATOM 1199 NZ LYS A 135 68.311 -38.645 -11.143 1.00 31.77 N ATOM 1200 HZ1 LYS A 135 68.885 -38.998 -11.935 1.00 0.00 H ATOM 1201 HZ2 LYS A 135 67.320 -38.555 -11.444 1.00 0.00 H ATOM 1202 HZ3 LYS A 135 68.669 -37.716 -10.841 1.00 0.00 H ATOM 1203 H LYS A 135 64.905 -42.832 -9.592 1.00 0.00 H ATOM 1204 N VAL A 136 64.179 -42.240 -6.429 1.00 16.22 N ATOM 1205 CA VAL A 136 63.462 -41.981 -5.190 1.00 17.34 C ATOM 1206 C VAL A 136 63.227 -43.301 -4.440 1.00 17.18 C ATOM 1207 O VAL A 136 63.534 -43.424 -3.246 1.00 15.76 O ATOM 1208 CB VAL A 136 62.123 -41.288 -5.450 1.00 17.37 C ATOM 1209 CG1 VAL A 136 61.240 -41.345 -4.212 1.00 18.83 C ATOM 1210 CG2 VAL A 136 62.346 -39.841 -5.869 1.00 18.56 C ATOM 1211 H VAL A 136 63.727 -42.022 -7.340 1.00 0.00 H ATOM 1212 N VAL A 137 62.686 -44.296 -5.142 1.00 16.71 N ATOM 1213 CA VAL A 137 62.299 -45.532 -4.475 1.00 15.60 C ATOM 1214 C VAL A 137 63.493 -46.428 -4.201 1.00 16.32 C ATOM 1215 O VAL A 137 63.640 -46.948 -3.082 1.00 16.12 O ATOM 1216 CB VAL A 137 61.216 -46.285 -5.248 1.00 15.31 C ATOM 1217 CG1 VAL A 137 60.835 -47.569 -4.499 1.00 14.35 C ATOM 1218 CG2 VAL A 137 60.005 -45.394 -5.434 1.00 14.91 C ATOM 1219 H VAL A 137 62.540 -44.190 -6.166 1.00 0.00 H ATOM 1220 N TYR A 138 64.395 -46.566 -5.173 1.00 16.80 N ATOM 1221 CA TYR A 138 65.586 -47.344 -4.945 1.00 17.86 C ATOM 1222 C TYR A 138 66.408 -46.788 -3.776 1.00 18.62 C ATOM 1223 O TYR A 138 67.029 -47.540 -3.038 1.00 17.73 O ATOM 1224 CB TYR A 138 66.456 -47.435 -6.186 1.00 17.45 C ATOM 1225 CG TYR A 138 67.563 -48.427 -6.021 1.00 18.59 C ATOM 1226 CD1 TYR A 138 67.293 -49.801 -5.988 1.00 18.28 C ATOM 1227 CD2 TYR A 138 68.874 -48.011 -5.788 1.00 19.63 C ATOM 1228 CE1 TYR A 138 68.292 -50.723 -5.786 1.00 19.11 C ATOM 1229 CE2 TYR A 138 69.902 -48.933 -5.610 1.00 21.16 C ATOM 1230 CZ TYR A 138 69.607 -50.284 -5.572 1.00 20.96 C ATOM 1231 OH TYR A 138 70.611 -51.207 -5.370 1.00 24.01 O ATOM 1232 HH TYR A 138 70.225 -52.119 -5.372 1.00 0.00 H ATOM 1233 H TYR A 138 64.239 -46.112 -6.096 1.00 0.00 H ATOM 1234 N GLY A 139 66.419 -45.466 -3.632 1.00 20.03 N ATOM 1235 CA GLY A 139 67.065 -44.832 -2.495 1.00 19.64 C ATOM 1236 C GLY A 139 66.515 -45.340 -1.147 1.00 19.91 C ATOM 1237 O GLY A 139 67.283 -45.674 -0.232 1.00 20.23 O ATOM 1238 H GLY A 139 65.955 -44.873 -4.349 1.00 0.00 H ATOM 1239 N LEU A 140 65.200 -45.435 -1.050 1.00 19.59 N ATOM 1240 CA LEU A 140 64.564 -45.966 0.154 1.00 20.28 C ATOM 1241 C LEU A 140 64.993 -47.400 0.406 1.00 21.01 C ATOM 1242 O LEU A 140 65.254 -47.780 1.555 1.00 22.45 O ATOM 1243 CB LEU A 140 63.041 -45.871 0.053 1.00 20.52 C ATOM 1244 CG LEU A 140 62.477 -44.454 0.034 1.00 22.00 C ATOM 1245 CD1 LEU A 140 60.973 -44.457 -0.205 1.00 23.54 C ATOM 1246 CD2 LEU A 140 62.805 -43.735 1.333 1.00 23.81 C ATOM 1247 H LEU A 140 64.606 -45.126 -1.846 1.00 0.00 H ATOM 1248 N MET A 141 65.101 -48.193 -0.663 1.00 19.18 N ATOM 1249 CA MET A 141 65.505 -49.591 -0.537 1.00 19.73 C ATOM 1250 C MET A 141 66.903 -49.720 0.019 1.00 22.00 C ATOM 1251 O MET A 141 67.231 -50.720 0.698 1.00 20.76 O ATOM 1252 CB MET A 141 65.432 -50.305 -1.896 1.00 19.21 C ATOM 1253 CG MET A 141 64.021 -50.386 -2.471 1.00 19.31 C ATOM 1254 SD MET A 141 63.950 -50.805 -4.240 1.00 18.78 S ATOM 1255 CE MET A 141 64.581 -52.457 -4.237 1.00 19.77 C ATOM 1256 H MET A 141 64.893 -47.807 -1.606 1.00 0.00 H ATOM 1257 N SER A 142 67.754 -48.752 -0.296 1.00 22.78 N ATOM 1258 CA SER A 142 69.179 -48.872 -0.002 1.00 26.04 C ATOM 1259 C SER A 142 69.631 -47.894 1.085 1.00 27.59 C ATOM 1260 O SER A 142 70.802 -47.588 1.195 1.00 31.43 O ATOM 1261 CB SER A 142 70.021 -48.690 -1.290 1.00 28.11 C ATOM 1262 OG SER A 142 69.498 -47.673 -2.129 1.00 28.20 O ATOM 1263 HG SER A 142 68.574 -47.909 -2.394 1.00 0.00 H ATOM 1264 H SER A 142 67.399 -47.892 -0.761 1.00 0.00 H ATOM 1265 N GLY A 143 68.692 -47.444 1.904 1.00 28.80 N ATOM 1266 CA GLY A 143 69.020 -46.664 3.109 1.00 29.54 C ATOM 1267 C GLY A 143 69.501 -45.246 2.817 1.00 32.11 C ATOM 1268 O GLY A 143 70.333 -44.697 3.554 1.00 33.72 O ATOM 1269 H GLY A 143 67.695 -47.647 1.690 1.00 0.00 H ATOM 1270 N ASP A 144 68.976 -44.650 1.751 1.00 30.93 N ATOM 1271 CA ASP A 144 69.285 -43.260 1.421 1.00 30.22 C ATOM 1272 C ASP A 144 68.030 -42.533 0.962 1.00 27.34 C ATOM 1273 O ASP A 144 67.569 -42.729 -0.160 1.00 28.23 O ATOM 1274 CB ASP A 144 70.351 -43.206 0.328 1.00 31.02 C ATOM 1275 CG ASP A 144 70.766 -41.772 -0.022 1.00 33.12 C ATOM 1276 OD1 ASP A 144 70.159 -40.826 0.513 1.00 32.44 O ATOM 1277 OD2 ASP A 144 71.678 -41.605 -0.850 1.00 35.79 O ATOM 1278 H ASP A 144 68.330 -45.186 1.137 1.00 0.00 H ATOM 1279 N SER A 145 67.499 -41.662 1.815 1.00 27.03 N ATOM 1280 CA SER A 145 66.275 -40.946 1.497 1.00 24.56 C ATOM 1281 C SER A 145 66.537 -39.617 0.765 1.00 25.16 C ATOM 1282 O SER A 145 65.643 -38.823 0.627 1.00 22.55 O ATOM 1283 CB SER A 145 65.437 -40.690 2.766 1.00 25.68 C ATOM 1284 OG SER A 145 66.115 -39.856 3.715 1.00 26.58 O ATOM 1285 HG SER A 145 66.960 -40.292 3.991 1.00 0.00 H ATOM 1286 H SER A 145 67.968 -41.490 2.727 1.00 0.00 H ATOM 1287 N SER A 146 67.764 -39.421 0.264 1.00 25.96 N ATOM 1288 CA SER A 146 68.174 -38.102 -0.348 1.00 26.12 C ATOM 1289 C SER A 146 67.274 -37.692 -1.483 1.00 26.50 C ATOM 1290 O SER A 146 66.800 -36.550 -1.537 1.00 23.34 O ATOM 1291 CB SER A 146 69.596 -38.183 -0.868 1.00 28.31 C ATOM 1292 OG SER A 146 70.502 -38.213 0.194 1.00 32.56 O ATOM 1293 HG SER A 146 70.319 -39.005 0.760 1.00 0.00 H ATOM 1294 H SER A 146 68.454 -40.199 0.297 1.00 0.00 H ATOM 1295 N ALA A 147 67.095 -38.601 -2.441 1.00 23.36 N ATOM 1296 CA ALA A 147 66.289 -38.318 -3.623 1.00 23.85 C ATOM 1297 C ALA A 147 64.872 -37.969 -3.234 1.00 22.10 C ATOM 1298 O ALA A 147 64.305 -36.996 -3.734 1.00 22.12 O ATOM 1299 CB ALA A 147 66.306 -39.500 -4.570 1.00 22.92 C ATOM 1300 H ALA A 147 67.541 -39.535 -2.343 1.00 0.00 H ATOM 1301 N LEU A 148 64.296 -38.742 -2.319 1.00 20.74 N ATOM 1302 CA LEU A 148 62.949 -38.453 -1.842 1.00 19.94 C ATOM 1303 C LEU A 148 62.912 -37.075 -1.168 1.00 19.89 C ATOM 1304 O LEU A 148 62.030 -36.279 -1.420 1.00 18.78 O ATOM 1305 CB LEU A 148 62.486 -39.529 -0.856 1.00 21.03 C ATOM 1306 CG LEU A 148 61.148 -39.259 -0.181 1.00 20.81 C ATOM 1307 CD1 LEU A 148 60.020 -39.240 -1.195 1.00 21.39 C ATOM 1308 CD2 LEU A 148 60.879 -40.296 0.913 1.00 22.06 C ATOM 1309 H LEU A 148 64.812 -39.562 -1.939 1.00 0.00 H ATOM 1310 N GLN A 149 63.888 -36.812 -0.315 1.00 21.48 N ATOM 1311 CA GLN A 149 63.968 -35.521 0.344 1.00 23.57 C ATOM 1312 C GLN A 149 63.945 -34.382 -0.663 1.00 20.53 C ATOM 1313 O GLN A 149 63.228 -33.410 -0.484 1.00 21.88 O ATOM 1314 CB GLN A 149 65.210 -35.440 1.216 1.00 24.57 C ATOM 1315 CG GLN A 149 65.104 -36.267 2.471 1.00 27.75 C ATOM 1316 CD GLN A 149 66.288 -36.090 3.375 1.00 32.39 C ATOM 1317 OE1 GLN A 149 67.012 -37.048 3.670 1.00 36.96 O ATOM 1318 NE2 GLN A 149 66.531 -34.854 3.786 1.00 31.08 N ATOM 1319 HE22 GLN A 149 65.893 -34.080 3.512 1.00 0.00 H ATOM 1320 HE21 GLN A 149 67.360 -34.658 4.383 1.00 0.00 H ATOM 1321 H GLN A 149 64.606 -37.538 -0.114 1.00 0.00 H ATOM 1322 N GLY A 150 64.712 -34.522 -1.730 1.00 22.42 N ATOM 1323 CA GLY A 150 64.834 -33.447 -2.735 1.00 22.22 C ATOM 1324 C GLY A 150 63.530 -33.158 -3.427 1.00 22.54 C ATOM 1325 O GLY A 150 63.197 -32.014 -3.689 1.00 22.51 O ATOM 1326 H GLY A 150 65.241 -35.407 -1.865 1.00 0.00 H ATOM 1327 N GLN A 151 62.784 -34.208 -3.729 1.00 20.93 N ATOM 1328 CA GLN A 151 61.533 -34.064 -4.408 1.00 20.46 C ATOM 1329 C GLN A 151 60.475 -33.477 -3.494 1.00 19.18 C ATOM 1330 O GLN A 151 59.647 -32.655 -3.920 1.00 21.02 O ATOM 1331 CB GLN A 151 61.080 -35.418 -4.957 1.00 20.48 C ATOM 1332 CG GLN A 151 61.972 -35.932 -6.058 1.00 20.93 C ATOM 1333 CD GLN A 151 62.112 -34.938 -7.180 1.00 20.99 C ATOM 1334 OE1 GLN A 151 61.115 -34.385 -7.670 1.00 19.93 O ATOM 1335 NE2 GLN A 151 63.340 -34.678 -7.582 1.00 23.34 N ATOM 1336 HE22 GLN A 151 64.146 -35.166 -7.142 1.00 0.00 H ATOM 1337 HE21 GLN A 151 63.503 -33.984 -8.340 1.00 0.00 H ATOM 1338 H GLN A 151 63.114 -35.159 -3.467 1.00 0.00 H ATOM 1339 N ILE A 152 60.490 -33.878 -2.242 1.00 18.84 N ATOM 1340 CA ILE A 152 59.574 -33.299 -1.285 1.00 19.33 C ATOM 1341 C ILE A 152 59.915 -31.814 -1.109 1.00 19.08 C ATOM 1342 O ILE A 152 59.043 -30.979 -1.129 1.00 18.94 O ATOM 1343 CB ILE A 152 59.623 -34.027 0.066 1.00 19.82 C ATOM 1344 CG1 ILE A 152 59.063 -35.459 -0.089 1.00 20.74 C ATOM 1345 CG2 ILE A 152 58.818 -33.265 1.118 1.00 19.92 C ATOM 1346 CD1 ILE A 152 59.407 -36.365 1.066 1.00 22.26 C ATOM 1347 H ILE A 152 61.161 -34.612 -1.940 1.00 0.00 H ATOM 1348 N ASP A 153 61.204 -31.504 -1.038 1.00 21.36 N ATOM 1349 CA ASP A 153 61.644 -30.097 -0.835 1.00 21.58 C ATOM 1350 C ASP A 153 61.061 -29.216 -1.942 1.00 22.41 C ATOM 1351 O ASP A 153 60.355 -28.213 -1.666 1.00 21.09 O ATOM 1352 CB ASP A 153 63.174 -30.022 -0.833 1.00 23.15 C ATOM 1353 CG ASP A 153 63.703 -28.665 -0.325 1.00 25.04 C ATOM 1354 OD1 ASP A 153 63.292 -28.218 0.768 1.00 22.99 O ATOM 1355 OD2 ASP A 153 64.547 -28.078 -1.014 1.00 29.24 O ATOM 1356 H ASP A 153 61.917 -32.256 -1.126 1.00 0.00 H ATOM 1357 N ALA A 154 61.231 -29.669 -3.183 1.00 22.85 N ATOM 1358 CA ALA A 154 60.719 -28.964 -4.369 1.00 24.42 C ATOM 1359 C ALA A 154 59.217 -28.758 -4.315 1.00 24.85 C ATOM 1360 O ALA A 154 58.721 -27.653 -4.532 1.00 23.82 O ATOM 1361 CB ALA A 154 61.096 -29.734 -5.635 1.00 23.81 C ATOM 1362 H ALA A 154 61.749 -30.561 -3.320 1.00 0.00 H ATOM 1363 N LEU A 155 58.484 -29.829 -4.052 1.00 26.01 N ATOM 1364 CA LEU A 155 57.038 -29.757 -3.989 1.00 24.58 C ATOM 1365 C LEU A 155 56.592 -28.798 -2.909 1.00 24.75 C ATOM 1366 O LEU A 155 55.591 -28.078 -3.070 1.00 23.65 O ATOM 1367 CB LEU A 155 56.452 -31.145 -3.715 1.00 26.69 C ATOM 1368 CG LEU A 155 56.398 -32.076 -4.936 1.00 26.63 C ATOM 1369 CD1 LEU A 155 56.328 -33.532 -4.492 1.00 26.47 C ATOM 1370 CD2 LEU A 155 55.209 -31.719 -5.825 1.00 28.89 C ATOM 1371 H LEU A 155 58.956 -30.741 -3.887 1.00 0.00 H ATOM 1372 N LEU A 156 57.294 -28.808 -1.788 1.00 23.63 N ATOM 1373 CA LEU A 156 56.925 -27.950 -0.684 1.00 24.64 C ATOM 1374 C LEU A 156 57.136 -26.490 -1.064 1.00 27.18 C ATOM 1375 O LEU A 156 56.283 -25.646 -0.802 1.00 27.33 O ATOM 1376 CB LEU A 156 57.719 -28.309 0.570 1.00 23.28 C ATOM 1377 CG LEU A 156 57.240 -29.589 1.282 1.00 22.02 C ATOM 1378 CD1 LEU A 156 58.162 -29.951 2.439 1.00 22.20 C ATOM 1379 CD2 LEU A 156 55.813 -29.431 1.750 1.00 22.10 C ATOM 1380 H LEU A 156 58.117 -29.437 -1.700 1.00 0.00 H ATOM 1381 N LYS A 157 58.253 -26.199 -1.708 1.00 30.28 N ATOM 1382 CA LYS A 157 58.572 -24.811 -2.081 1.00 33.68 C ATOM 1383 C LYS A 157 57.538 -24.275 -3.032 1.00 34.93 C ATOM 1384 O LYS A 157 57.101 -23.141 -2.903 1.00 37.07 O ATOM 1385 CB LYS A 157 59.937 -24.730 -2.710 1.00 35.32 C ATOM 1386 CG LYS A 157 61.060 -24.803 -1.722 1.00 36.35 C ATOM 1387 CD LYS A 157 62.383 -25.008 -2.431 1.00 39.74 C ATOM 1388 CE LYS A 157 63.540 -24.404 -1.653 1.00 40.94 C ATOM 1389 NZ LYS A 157 64.005 -25.299 -0.573 1.00 39.74 N ATOM 1390 HZ1 LYS A 157 63.223 -25.476 0.090 1.00 0.00 H ATOM 1391 HZ2 LYS A 157 64.323 -26.200 -0.984 1.00 0.00 H ATOM 1392 HZ3 LYS A 157 64.795 -24.849 -0.067 1.00 0.00 H ATOM 1393 H LYS A 157 58.916 -26.961 -1.955 1.00 0.00 H ATOM 1394 N ALA A 158 57.097 -25.125 -3.960 1.00 34.63 N ATOM 1395 CA ALA A 158 56.095 -24.734 -4.946 1.00 34.68 C ATOM 1396 C ALA A 158 54.758 -24.350 -4.291 1.00 31.33 C ATOM 1397 O ALA A 158 54.017 -23.544 -4.825 1.00 30.04 O ATOM 1398 CB ALA A 158 55.887 -25.847 -5.954 1.00 37.41 C ATOM 1399 H ALA A 158 57.477 -26.093 -3.982 1.00 0.00 H ATOM 1400 N VAL A 159 54.466 -24.919 -3.129 1.00 29.06 N ATOM 1401 CA VAL A 159 53.254 -24.539 -2.385 1.00 29.78 C ATOM 1402 C VAL A 159 53.413 -23.167 -1.753 1.00 30.99 C ATOM 1403 O VAL A 159 52.535 -22.327 -1.840 1.00 30.78 O ATOM 1404 CB VAL A 159 52.938 -25.534 -1.267 1.00 31.09 C ATOM 1405 CG1 VAL A 159 51.797 -25.004 -0.399 1.00 31.02 C ATOM 1406 CG2 VAL A 159 52.585 -26.893 -1.848 1.00 30.12 C ATOM 1407 H VAL A 159 55.102 -25.643 -2.738 1.00 0.00 H ATOM 1408 N ASP A 160 54.495 -22.997 -1.031 1.00 34.01 N ATOM 1409 CA ASP A 160 54.772 -21.760 -0.361 1.00 35.51 C ATOM 1410 C ASP A 160 56.242 -21.696 -0.085 1.00 33.63 C ATOM 1411 O ASP A 160 56.815 -22.634 0.475 1.00 28.64 O ATOM 1412 CB ASP A 160 53.982 -21.669 0.945 1.00 37.95 C ATOM 1413 CG ASP A 160 54.231 -20.365 1.691 1.00 42.19 C ATOM 1414 OD1 ASP A 160 55.392 -20.102 2.075 1.00 42.24 O ATOM 1415 OD2 ASP A 160 53.264 -19.600 1.884 1.00 47.32 O ATOM 1416 H ASP A 160 55.171 -23.782 -0.942 1.00 0.00 H ATOM 1417 N PRO A 161 56.880 -20.594 -0.486 1.00 33.34 N ATOM 1418 CA PRO A 161 58.336 -20.521 -0.477 1.00 31.60 C ATOM 1419 C PRO A 161 58.936 -20.556 0.939 1.00 28.55 C ATOM 1420 O PRO A 161 60.116 -20.795 1.086 1.00 31.15 O ATOM 1421 CB PRO A 161 58.630 -19.170 -1.173 1.00 35.03 C ATOM 1422 CG PRO A 161 57.366 -18.377 -1.028 1.00 33.88 C ATOM 1423 CD PRO A 161 56.253 -19.367 -1.024 1.00 34.66 C ATOM 1424 N SER A 162 58.107 -20.355 1.964 1.00 27.25 N ATOM 1425 CA SER A 162 58.573 -20.486 3.370 1.00 26.75 C ATOM 1426 C SER A 162 58.687 -21.960 3.824 1.00 24.49 C ATOM 1427 O SER A 162 59.189 -22.242 4.911 1.00 24.37 O ATOM 1428 CB SER A 162 57.651 -19.711 4.328 1.00 28.35 C ATOM 1429 OG SER A 162 56.352 -20.287 4.392 1.00 29.78 O ATOM 1430 HG SER A 162 55.943 -20.277 3.490 1.00 0.00 H ATOM 1431 H SER A 162 57.116 -20.102 1.777 1.00 0.00 H ATOM 1432 N LEU A 163 58.224 -22.884 2.990 1.00 23.33 N ATOM 1433 CA LEU A 163 58.226 -24.304 3.347 1.00 21.99 C ATOM 1434 C LEU A 163 59.414 -24.991 2.747 1.00 21.25 C ATOM 1435 O LEU A 163 59.905 -24.599 1.675 1.00 20.19 O ATOM 1436 CB LEU A 163 56.949 -24.986 2.873 1.00 22.85 C ATOM 1437 CG LEU A 163 55.649 -24.300 3.226 1.00 23.49 C ATOM 1438 CD1 LEU A 163 54.486 -25.048 2.609 1.00 25.21 C ATOM 1439 CD2 LEU A 163 55.482 -24.198 4.737 1.00 25.45 C ATOM 1440 H LEU A 163 57.852 -22.593 2.063 1.00 0.00 H ATOM 1441 N SER A 164 59.886 -26.035 3.425 1.00 18.51 N ATOM 1442 CA SER A 164 60.998 -26.788 2.950 1.00 17.27 C ATOM 1443 C SER A 164 61.055 -28.129 3.631 1.00 18.42 C ATOM 1444 O SER A 164 60.298 -28.391 4.582 1.00 19.31 O ATOM 1445 CB SER A 164 62.311 -26.025 3.220 1.00 16.12 C ATOM 1446 OG SER A 164 62.587 -25.977 4.600 1.00 14.39 O ATOM 1447 HG SER A 164 61.847 -25.515 5.068 1.00 0.00 H ATOM 1448 H SER A 164 59.433 -26.307 4.321 1.00 0.00 H ATOM 1449 N ILE A 165 62.024 -28.935 3.230 1.00 18.76 N ATOM 1450 CA ILE A 165 62.311 -30.189 3.919 1.00 21.24 C ATOM 1451 C ILE A 165 62.695 -29.953 5.415 1.00 22.00 C ATOM 1452 O ILE A 165 62.532 -30.836 6.252 1.00 19.78 O ATOM 1453 CB ILE A 165 63.433 -30.986 3.189 1.00 23.18 C ATOM 1454 CG1 ILE A 165 63.389 -32.472 3.588 1.00 23.04 C ATOM 1455 CG2 ILE A 165 64.803 -30.397 3.484 1.00 24.12 C ATOM 1456 CD1 ILE A 165 62.206 -33.223 2.994 1.00 23.40 C ATOM 1457 H ILE A 165 62.596 -28.668 2.403 1.00 0.00 H ATOM 1458 N ASN A 166 63.114 -28.725 5.752 1.00 20.93 N ATOM 1459 CA ASN A 166 63.522 -28.436 7.115 1.00 21.82 C ATOM 1460 C ASN A 166 62.412 -27.828 7.970 1.00 23.37 C ATOM 1461 O ASN A 166 62.624 -27.512 9.143 1.00 23.97 O ATOM 1462 CB ASN A 166 64.742 -27.552 7.112 1.00 22.71 C ATOM 1463 CG ASN A 166 65.883 -28.164 6.345 1.00 23.92 C ATOM 1464 OD1 ASN A 166 66.359 -29.252 6.684 1.00 24.32 O ATOM 1465 ND2 ASN A 166 66.284 -27.517 5.268 1.00 22.04 N ATOM 1466 HD22 ASN A 166 65.855 -26.603 5.021 1.00 0.00 H ATOM 1467 HD21 ASN A 166 67.030 -27.921 4.666 1.00 0.00 H ATOM 1468 H ASN A 166 63.147 -27.975 5.033 1.00 0.00 H ATOM 1469 N SER A 167 61.209 -27.729 7.405 1.00 21.23 N ATOM 1470 CA SER A 167 60.042 -27.314 8.175 1.00 21.78 C ATOM 1471 C SER A 167 59.672 -28.423 9.172 1.00 22.26 C ATOM 1472 O SER A 167 59.995 -29.585 8.949 1.00 23.10 O ATOM 1473 CB SER A 167 58.872 -27.038 7.244 1.00 20.97 C ATOM 1474 OG SER A 167 59.218 -26.093 6.236 1.00 20.81 O ATOM 1475 HG SER A 167 59.970 -26.446 5.698 1.00 0.00 H ATOM 1476 H SER A 167 61.100 -27.952 6.395 1.00 0.00 H ATOM 1477 N THR A 168 58.996 -28.057 10.265 1.00 22.41 N ATOM 1478 CA THR A 168 58.373 -29.070 11.150 1.00 23.78 C ATOM 1479 C THR A 168 57.063 -29.564 10.547 1.00 21.32 C ATOM 1480 O THR A 168 56.406 -28.856 9.799 1.00 20.71 O ATOM 1481 CB THR A 168 58.102 -28.520 12.568 1.00 22.85 C ATOM 1482 OG1 THR A 168 57.163 -27.442 12.503 1.00 24.42 O ATOM 1483 CG2 THR A 168 59.376 -28.052 13.206 1.00 25.82 C ATOM 1484 HG1 THR A 168 56.996 -27.096 13.415 1.00 0.00 H ATOM 1485 H THR A 168 58.906 -27.047 10.498 1.00 0.00 H ATOM 1486 N PHE A 169 56.659 -30.769 10.903 1.00 23.75 N ATOM 1487 CA PHE A 169 55.375 -31.254 10.464 1.00 21.10 C ATOM 1488 C PHE A 169 54.253 -30.301 10.904 1.00 22.74 C ATOM 1489 O PHE A 169 53.338 -30.005 10.131 1.00 22.77 O ATOM 1490 CB PHE A 169 55.136 -32.693 10.969 1.00 21.53 C ATOM 1491 CG PHE A 169 55.941 -33.727 10.237 1.00 20.12 C ATOM 1492 CD1 PHE A 169 55.463 -34.296 9.049 1.00 20.46 C ATOM 1493 CD2 PHE A 169 57.176 -34.114 10.700 1.00 20.82 C ATOM 1494 CE1 PHE A 169 56.208 -35.237 8.368 1.00 18.84 C ATOM 1495 CE2 PHE A 169 57.929 -35.051 10.016 1.00 19.65 C ATOM 1496 CZ PHE A 169 57.438 -35.611 8.840 1.00 19.89 C ATOM 1497 H PHE A 169 57.266 -31.367 11.499 1.00 0.00 H ATOM 1498 N ASP A 170 54.369 -29.750 12.113 1.00 24.84 N ATOM 1499 CA ASP A 170 53.349 -28.826 12.612 1.00 26.96 C ATOM 1500 C ASP A 170 53.263 -27.565 11.750 1.00 23.98 C ATOM 1501 O ASP A 170 52.178 -27.059 11.484 1.00 24.37 O ATOM 1502 CB ASP A 170 53.617 -28.462 14.073 1.00 31.37 C ATOM 1503 CG ASP A 170 52.920 -29.414 15.050 1.00 35.32 C ATOM 1504 OD1 ASP A 170 52.166 -30.343 14.577 1.00 37.25 O ATOM 1505 OD2 ASP A 170 53.135 -29.266 16.267 1.00 34.54 O ATOM 1506 H ASP A 170 55.192 -29.979 12.707 1.00 0.00 H ATOM 1507 N GLN A 171 54.406 -27.098 11.276 1.00 25.68 N ATOM 1508 CA GLN A 171 54.434 -25.961 10.370 1.00 24.89 C ATOM 1509 C GLN A 171 53.717 -26.281 9.073 1.00 24.71 C ATOM 1510 O GLN A 171 52.998 -25.440 8.526 1.00 26.03 O ATOM 1511 CB GLN A 171 55.871 -25.546 10.066 1.00 24.69 C ATOM 1512 CG GLN A 171 55.961 -24.255 9.282 1.00 24.05 C ATOM 1513 CD GLN A 171 57.383 -23.767 9.112 1.00 24.38 C ATOM 1514 OE1 GLN A 171 58.331 -24.385 9.610 1.00 24.83 O ATOM 1515 NE2 GLN A 171 57.545 -22.661 8.392 1.00 22.73 N ATOM 1516 HE22 GLN A 171 56.717 -22.175 7.993 1.00 0.00 H ATOM 1517 HE21 GLN A 171 58.500 -22.282 8.228 1.00 0.00 H ATOM 1518 H GLN A 171 55.299 -27.551 11.556 1.00 0.00 H ATOM 1519 N LEU A 172 53.946 -27.477 8.557 1.00 24.58 N ATOM 1520 CA LEU A 172 53.323 -27.897 7.321 1.00 22.83 C ATOM 1521 C LEU A 172 51.837 -28.016 7.499 1.00 22.02 C ATOM 1522 O LEU A 172 51.065 -27.676 6.605 1.00 22.08 O ATOM 1523 CB LEU A 172 53.934 -29.227 6.844 1.00 23.03 C ATOM 1524 CG LEU A 172 55.445 -29.161 6.558 1.00 22.88 C ATOM 1525 CD1 LEU A 172 55.983 -30.516 6.134 1.00 25.78 C ATOM 1526 CD2 LEU A 172 55.768 -28.108 5.496 1.00 23.96 C ATOM 1527 H LEU A 172 54.588 -28.130 9.051 1.00 0.00 H ATOM 1528 N ALA A 173 51.419 -28.444 8.680 1.00 23.33 N ATOM 1529 CA ALA A 173 50.015 -28.494 9.004 1.00 24.34 C ATOM 1530 C ALA A 173 49.417 -27.080 9.009 1.00 24.69 C ATOM 1531 O ALA A 173 48.375 -26.834 8.392 1.00 24.84 O ATOM 1532 CB ALA A 173 49.809 -29.169 10.357 1.00 25.18 C ATOM 1533 H ALA A 173 52.117 -28.750 9.388 1.00 0.00 H ATOM 1534 N ALA A 174 50.125 -26.141 9.652 1.00 27.49 N ATOM 1535 CA ALA A 174 49.683 -24.735 9.701 1.00 26.18 C ATOM 1536 C ALA A 174 49.568 -24.159 8.304 1.00 26.95 C ATOM 1537 O ALA A 174 48.733 -23.300 8.048 1.00 28.36 O ATOM 1538 CB ALA A 174 50.662 -23.897 10.538 1.00 27.21 C ATOM 1539 H ALA A 174 51.009 -26.411 10.129 1.00 0.00 H ATOM 1540 N ALA A 175 50.417 -24.644 7.389 1.00 27.70 N ATOM 1541 CA ALA A 175 50.433 -24.155 6.019 1.00 26.10 C ATOM 1542 C ALA A 175 49.465 -24.916 5.111 1.00 27.37 C ATOM 1543 O ALA A 175 49.398 -24.648 3.915 1.00 26.87 O ATOM 1544 CB ALA A 175 51.845 -24.227 5.455 1.00 26.56 C ATOM 1545 H ALA A 175 51.084 -25.392 7.666 1.00 0.00 H ATOM 1546 N GLY A 176 48.712 -25.859 5.685 1.00 27.17 N ATOM 1547 CA GLY A 176 47.621 -26.541 4.956 1.00 26.71 C ATOM 1548 C GLY A 176 48.076 -27.816 4.225 1.00 28.06 C ATOM 1549 O GLY A 176 47.272 -28.489 3.572 1.00 30.45 O ATOM 1550 H GLY A 176 48.899 -26.121 6.674 1.00 0.00 H ATOM 1551 N VAL A 177 49.351 -28.157 4.368 1.00 27.72 N ATOM 1552 CA VAL A 177 49.978 -29.211 3.545 1.00 29.06 C ATOM 1553 C VAL A 177 49.992 -30.570 4.273 1.00 27.36 C ATOM 1554 O VAL A 177 50.061 -31.623 3.636 1.00 26.98 O ATOM 1555 CB VAL A 177 51.421 -28.806 3.151 1.00 29.98 C ATOM 1556 CG1 VAL A 177 52.275 -30.020 2.855 1.00 32.27 C ATOM 1557 CG2 VAL A 177 51.385 -27.861 1.960 1.00 32.81 C ATOM 1558 H VAL A 177 49.926 -27.667 5.082 1.00 0.00 H ATOM 1559 N ALA A 178 49.913 -30.542 5.596 1.00 27.30 N ATOM 1560 CA ALA A 178 50.023 -31.768 6.384 1.00 24.02 C ATOM 1561 C ALA A 178 48.919 -31.878 7.406 1.00 26.86 C ATOM 1562 O ALA A 178 48.224 -30.898 7.705 1.00 25.66 O ATOM 1563 CB ALA A 178 51.363 -31.840 7.048 1.00 24.89 C ATOM 1564 H ALA A 178 49.770 -29.633 6.081 1.00 0.00 H ATOM 1565 N HIS A 179 48.728 -33.087 7.916 1.00 28.78 N ATOM 1566 CA HIS A 179 47.645 -33.378 8.841 1.00 30.91 C ATOM 1567 C HIS A 179 48.120 -34.391 9.879 1.00 30.18 C ATOM 1568 O HIS A 179 48.655 -35.465 9.533 1.00 25.74 O ATOM 1569 CB HIS A 179 46.425 -33.926 8.084 1.00 35.97 C ATOM 1570 CG HIS A 179 46.085 -33.149 6.841 1.00 40.74 C ATOM 1571 ND1 HIS A 179 44.965 -32.352 6.743 1.00 44.26 N ATOM 1572 CD2 HIS A 179 46.735 -33.032 5.655 1.00 41.24 C ATOM 1573 CE1 HIS A 179 44.933 -31.786 5.547 1.00 45.17 C ATOM 1574 NE2 HIS A 179 46.003 -32.174 4.874 1.00 44.22 N ATOM 1575 H HIS A 179 49.376 -33.854 7.645 1.00 0.00 H ATOM 1576 N ALA A 180 47.979 -34.035 11.151 1.00 29.99 N ATOM 1577 CA ALA A 180 48.360 -34.931 12.232 1.00 30.78 C ATOM 1578 C ALA A 180 47.283 -35.988 12.422 1.00 31.89 C ATOM 1579 O ALA A 180 46.103 -35.707 12.270 1.00 32.34 O ATOM 1580 CB ALA A 180 48.560 -34.154 13.520 1.00 30.51 C ATOM 1581 H ALA A 180 47.589 -33.098 11.378 1.00 0.00 H ATOM 1582 N THR A 181 47.704 -37.199 12.760 1.00 37.63 N ATOM 1583 CA THR A 181 46.776 -38.249 13.173 1.00 43.79 C ATOM 1584 C THR A 181 46.037 -37.814 14.427 1.00 51.54 C ATOM 1585 O THR A 181 46.665 -37.484 15.428 1.00 49.30 O ATOM 1586 CB THR A 181 47.517 -39.547 13.499 1.00 44.29 C ATOM 1587 OG1 THR A 181 48.368 -39.339 14.645 1.00 43.55 O ATOM 1588 CG2 THR A 181 48.355 -40.008 12.304 1.00 42.97 C ATOM 1589 HG1 THR A 181 47.815 -39.070 15.421 1.00 0.00 H ATOM 1590 H THR A 181 48.723 -37.407 12.730 1.00 0.00 H ATOM 1591 N PRO A 182 44.693 -37.830 14.386 1.00 60.20 N ATOM 1592 CA PRO A 182 43.927 -37.641 15.624 1.00 66.45 C ATOM 1593 C PRO A 182 44.367 -38.620 16.723 1.00 69.65 C ATOM 1594 O PRO A 182 44.445 -38.244 17.887 1.00 62.94 O ATOM 1595 CB PRO A 182 42.480 -37.923 15.191 1.00 65.76 C ATOM 1596 CG PRO A 182 42.457 -37.643 13.728 1.00 63.66 C ATOM 1597 CD PRO A 182 43.818 -37.994 13.206 1.00 61.68 C ATOM 1598 N ALA A 183 44.693 -39.856 16.324 1.00 81.78 N ATOM 1599 CA ALA A 183 45.129 -40.899 17.268 1.00 91.01 C ATOM 1600 C ALA A 183 46.464 -40.520 17.939 1.00 99.45 C ATOM 1601 O ALA A 183 47.308 -39.861 17.324 1.00101.24 O ATOM 1602 CB ALA A 183 45.266 -42.238 16.546 1.00 87.39 C ATOM 1603 H ALA A 183 44.636 -40.088 15.312 1.00 0.00 H ATOM 1604 N ALA A 184 46.657 -40.949 19.198 1.00106.07 N ATOM 1605 CA ALA A 184 45.637 -41.712 19.951 1.00102.33 C ATOM 1606 C ALA A 184 44.746 -40.761 20.770 1.00 97.72 C ATOM 1607 O ALA A 184 44.054 -39.902 20.219 1.00 91.98 O ATOM 1608 CB ALA A 184 46.312 -42.730 20.867 1.00101.21 C ATOM 1609 OXT ALA A 184 44.700 -40.828 22.000 1.00 92.17 O ATOM 1610 H ALA A 184 47.562 -40.735 19.663 1.00 0.00 H TER 1611 ALA A 184 HETATM 1612 O HOH 1 56.986 -61.267 -9.410 1.00 11.57 O HETATM 1613 O HOH 2 55.780 -58.747 -7.422 1.00 13.62 O HETATM 1614 O HOH 3 48.515 -49.094 4.676 1.00 14.96 O HETATM 1615 O HOH 4 54.632 -62.703 -9.126 1.00 16.34 O HETATM 1616 O HOH 5 68.150 -62.202 -1.977 1.00 16.86 O HETATM 1617 O HOH 6 53.766 -57.338 -14.706 1.00 17.94 O HETATM 1618 O HOH 7 62.866 -67.092 -1.080 1.00 17.99 O HETATM 1619 O HOH 8 62.159 -43.943 -12.989 1.00 18.01 O HETATM 1620 O HOH 9 69.672 -50.117 -16.665 1.00 18.05 O HETATM 1621 O HOH 10 51.271 -50.121 -13.369 1.00 18.79 O HETATM 1622 O HOH 11 47.878 -49.652 2.018 1.00 18.89 O HETATM 1623 O HOH 12 45.860 -57.543 2.213 1.00 19.05 O HETATM 1624 O HOH 13 61.065 -58.843 -0.079 1.00 19.52 O HETATM 1625 O HOH 14 63.128 -43.933 -15.677 1.00 19.70 O HETATM 1626 O HOH 15 50.292 -47.054 4.246 1.00 19.71 O HETATM 1627 O HOH 16 69.906 -47.572 -9.374 1.00 19.77 O HETATM 1628 O HOH 17 58.686 -52.156 -17.854 1.00 19.87 O HETATM 1629 O HOH 18 70.953 -56.488 -11.131 1.00 19.97 O HETATM 1630 O HOH 19 67.153 -53.475 5.676 1.00 20.38 O HETATM 1631 O HOH 20 62.686 -59.165 -18.072 1.00 20.45 O HETATM 1632 O HOH 21 57.046 -57.018 -0.054 1.00 20.84 O HETATM 1633 O HOH 22 57.675 -44.466 15.976 1.00 20.85 O HETATM 1634 O HOH 23 44.444 -54.276 -5.215 1.00 21.12 O HETATM 1635 O HOH 24 47.922 -47.540 10.429 1.00 21.41 O HETATM 1636 O HOH 25 51.700 -45.635 -0.556 1.00 21.80 O HETATM 1637 O HOH 26 50.689 -37.872 -7.823 1.00 21.85 O HETATM 1638 O HOH 27 50.609 -41.009 9.217 1.00 21.96 O HETATM 1639 O HOH 28 69.823 -51.878 -1.872 1.00 22.29 O HETATM 1640 O HOH 29 50.026 -46.377 1.583 1.00 22.31 O HETATM 1641 O HOH 30 49.981 -38.704 2.533 1.00 22.35 O HETATM 1642 O HOH 31 56.626 -46.665 14.326 1.00 22.58 O HETATM 1643 O HOH 32 69.573 -47.404 -16.667 1.00 22.73 O HETATM 1644 O HOH 33 47.899 -41.180 3.617 1.00 22.82 O HETATM 1645 O HOH 34 65.032 -41.638 -1.773 1.00 22.83 O HETATM 1646 O HOH 35 45.782 -57.681 -5.970 1.00 22.95 O HETATM 1647 O HOH 36 48.216 -47.897 7.675 1.00 23.17 O HETATM 1648 O HOH 37 62.505 -38.615 -14.207 1.00 23.25 O HETATM 1649 O HOH 38 71.205 -61.008 -8.086 1.00 23.27 O HETATM 1650 O HOH 39 75.784 -58.057 2.158 1.00 23.42 O HETATM 1651 O HOH 40 56.427 -33.714 -8.780 1.00 23.44 O HETATM 1652 O HOH 41 65.433 -35.829 -5.768 1.00 23.60 O HETATM 1653 O HOH 42 76.621 -57.329 -0.846 1.00 23.63 O HETATM 1654 O HOH 43 52.285 -59.201 -3.977 1.00 24.83 O HETATM 1655 O HOH 44 59.273 -57.223 1.534 1.00 24.99 O HETATM 1656 O HOH 45 66.140 -37.671 -7.454 1.00 25.01 O HETATM 1657 O HOH 46 65.823 -26.906 1.416 1.00 25.13 O HETATM 1658 O HOH 47 60.200 -25.994 -6.173 1.00 25.17 O HETATM 1659 O HOH 48 62.040 -53.010 -21.966 1.00 25.48 O HETATM 1660 O HOH 49 69.917 -59.038 -13.892 1.00 25.51 O HETATM 1661 O HOH 50 59.799 -62.347 -3.995 1.00 25.96 O HETATM 1662 O HOH 51 53.208 -58.354 3.280 1.00 26.01 O HETATM 1663 O HOH 52 71.979 -54.663 -13.135 1.00 26.06 O HETATM 1664 O HOH 53 46.116 -52.057 -9.493 1.00 26.18 O HETATM 1665 O HOH 54 60.675 -33.885 -10.306 1.00 26.19 O HETATM 1666 O HOH 55 57.381 -55.125 7.933 1.00 26.30 O HETATM 1667 O HOH 56 69.769 -53.008 -19.737 1.00 26.55 O HETATM 1668 O HOH 57 47.160 -37.818 9.292 1.00 26.65 O HETATM 1669 O HOH 58 73.179 -59.113 1.813 1.00 26.70 O HETATM 1670 O HOH 59 68.925 -38.332 -6.860 1.00 26.77 O HETATM 1671 O HOH 60 71.301 -58.052 3.586 1.00 26.80 O HETATM 1672 O HOH 61 69.662 -46.348 -19.292 1.00 26.82 O HETATM 1673 O HOH 62 69.951 -40.857 -6.349 1.00 26.82 O HETATM 1674 O HOH 63 65.541 -29.737 9.638 1.00 26.90 O HETATM 1675 O HOH 64 67.671 -44.082 12.833 1.00 26.90 O HETATM 1676 O HOH 65 59.267 -64.442 -2.367 1.00 26.91 O HETATM 1677 O HOH 66 47.808 -47.430 -11.031 1.00 27.18 O HETATM 1678 O HOH 67 67.287 -38.292 -18.048 1.00 27.20 O HETATM 1679 O HOH 68 45.963 -49.416 -5.599 1.00 27.45 O HETATM 1680 O HOH 69 70.123 -57.531 -16.160 1.00 27.59 O HETATM 1681 O HOH 70 68.268 -41.350 -2.419 1.00 27.77 O HETATM 1682 O HOH 71 68.432 -42.738 -4.863 1.00 27.89 O HETATM 1683 O HOH 72 59.517 -28.134 17.345 1.00 28.12 O HETATM 1684 O HOH 73 69.329 -39.723 11.668 1.00 28.12 O HETATM 1685 O HOH 74 69.453 -58.838 -18.611 1.00 28.19 O HETATM 1686 O HOH 75 57.076 -54.151 -16.436 1.00 28.40 O HETATM 1687 O HOH 76 59.004 -32.838 -6.857 1.00 28.40 O HETATM 1688 O HOH 77 55.646 -52.422 -18.148 1.00 28.68 O HETATM 1689 O HOH 78 70.022 -62.136 -0.159 1.00 28.91 O HETATM 1690 O HOH 79 57.638 -51.737 15.464 1.00 28.98 O HETATM 1691 O HOH 80 63.957 -59.829 -20.307 1.00 29.10 O HETATM 1692 O HOH 81 73.637 -47.736 -3.997 1.00 29.18 O HETATM 1693 O HOH 82 57.428 -60.754 -3.753 1.00 29.43 O HETATM 1694 O HOH 83 60.340 -43.455 13.664 1.00 29.47 O HETATM 1695 O HOH 84 67.543 -60.379 2.321 1.00 29.48 O HETATM 1696 O HOH 85 68.026 -28.334 3.583 1.00 29.53 O HETATM 1697 O HOH 86 67.992 -34.173 -0.902 1.00 29.93 O HETATM 1698 O HOH 87 67.789 -53.991 8.453 1.00 30.18 O HETATM 1699 O HOH 88 46.787 -56.960 4.677 1.00 30.21 O HETATM 1700 O HOH 89 50.161 -26.792 13.201 1.00 30.32 O HETATM 1701 O HOH 90 76.473 -61.677 0.179 1.00 30.34 O HETATM 1702 O HOH 91 69.572 -37.015 -4.469 1.00 30.52 O HETATM 1703 O HOH 92 58.057 -34.031 -11.148 1.00 30.67 O HETATM 1704 O HOH 93 69.140 -58.310 2.190 1.00 30.78 O HETATM 1705 O HOH 94 47.478 -52.073 -11.715 1.00 30.89 O HETATM 1706 O HOH 95 58.135 -36.290 -12.637 1.00 30.95 O HETATM 1707 O HOH 96 71.845 -37.843 8.696 1.00 30.95 O HETATM 1708 O HOH 97 68.677 -40.733 4.302 1.00 31.00 O HETATM 1709 O HOH 98 69.708 -68.279 -2.890 1.00 31.00 O HETATM 1710 O HOH 99 49.567 -47.450 -1.693 1.00 31.12 O HETATM 1711 O HOH 100 44.951 -34.639 0.640 1.00 31.13 O HETATM 1712 O HOH 101 53.161 -59.914 -6.697 1.00 31.23 O HETATM 1713 O HOH 102 58.791 -36.774 19.835 1.00 31.31 O HETATM 1714 O HOH 103 60.732 -57.174 -18.548 1.00 31.39 O HETATM 1715 O HOH 104 63.879 -27.614 -3.801 1.00 31.52 O HETATM 1716 O HOH 105 42.991 -55.211 -7.571 1.00 31.62 O HETATM 1717 O HOH 106 50.317 -51.867 -15.214 1.00 31.75 O HETATM 1718 O HOH 107 51.361 -20.122 10.322 1.00 31.89 O HETATM 1719 O HOH 108 52.244 -32.706 -6.753 1.00 32.09 O HETATM 1720 O HOH 109 50.604 -61.827 -2.085 1.00 32.10 O HETATM 1721 O HOH 110 71.061 -37.456 11.202 1.00 32.13 O HETATM 1722 O HOH 111 61.111 -23.824 5.719 1.00 33.15 O HETATM 1723 O HOH 112 53.607 -22.594 8.060 1.00 33.15 O HETATM 1724 O HOH 113 72.369 -49.914 -15.925 1.00 33.34 O HETATM 1725 O HOH 114 53.420 -52.365 14.049 1.00 33.53 O HETATM 1726 O HOH 115 71.692 -53.816 6.268 1.00 33.64 O HETATM 1727 O HOH 116 48.401 -49.736 -12.173 1.00 33.78 O HETATM 1728 O HOH 117 63.789 -32.662 -9.655 1.00 33.78 O HETATM 1729 O HOH 118 49.856 -60.504 5.687 1.00 33.84 O HETATM 1730 O HOH 119 53.746 -21.479 10.501 1.00 33.99 O HETATM 1731 O HOH 120 55.506 -43.111 16.996 1.00 34.05 O HETATM 1732 O HOH 121 60.115 -53.685 16.831 1.00 34.16 O HETATM 1733 O HOH 122 54.963 -50.197 15.206 1.00 34.36 O HETATM 1734 O HOH 123 71.728 -60.081 -0.761 1.00 34.38 O HETATM 1735 O HOH 124 47.905 -54.071 7.705 1.00 34.41 O HETATM 1736 O HOH 125 55.568 -59.233 -1.045 1.00 34.44 O HETATM 1737 O HOH 126 51.406 -54.593 14.250 1.00 34.56 O HETATM 1738 O HOH 127 62.468 -59.128 5.878 1.00 34.72 O HETATM 1739 O HOH 128 52.508 -39.070 -10.769 1.00 35.07 O HETATM 1740 O HOH 129 44.665 -47.882 -7.792 1.00 35.12 O HETATM 1741 O HOH 130 71.598 -47.938 8.509 1.00 35.20 O HETATM 1742 O HOH 131 52.881 -29.717 -4.087 1.00 35.25 O HETATM 1743 O HOH 132 46.732 -31.533 11.617 1.00 35.26 O HETATM 1744 O HOH 133 56.644 -25.281 14.362 1.00 35.40 O HETATM 1745 O HOH 134 70.357 -34.620 -8.583 1.00 35.60 O HETATM 1746 O HOH 135 46.819 -31.286 2.733 1.00 35.92 O HETATM 1747 O HOH 136 69.624 -41.737 6.986 1.00 36.25 O HETATM 1748 O HOH 137 55.119 -58.440 -16.877 1.00 36.57 O HETATM 1749 O HOH 138 66.992 -30.099 -2.035 1.00 36.60 O HETATM 1750 O HOH 139 70.518 -44.197 6.339 1.00 36.74 O HETATM 1751 O HOH 140 56.380 -59.336 5.928 1.00 37.16 O HETATM 1752 O HOH 141 47.896 -30.628 0.523 1.00 37.65 O HETATM 1753 O HOH 142 67.073 -61.256 5.241 1.00 37.86 O HETATM 1754 O HOH 143 50.981 -22.022 13.639 1.00 37.87 O HETATM 1755 O HOH 144 62.667 -26.078 -5.656 1.00 38.13 O HETATM 1756 O HOH 145 60.710 -22.386 10.311 1.00 38.17 O HETATM 1757 O HOH 146 52.453 -61.011 0.022 1.00 38.25 O HETATM 1758 O HOH 147 69.992 -50.975 9.266 1.00 38.28 O HETATM 1759 O HOH 148 48.903 -61.436 0.367 1.00 38.32 O HETATM 1760 O HOH 149 63.960 -23.274 2.202 1.00 38.53 O HETATM 1761 O HOH 150 58.844 -29.309 19.383 1.00 38.84 O HETATM 1762 O HOH 151 49.532 -53.697 -13.238 1.00 38.99 O HETATM 1763 O HOH 152 51.410 -45.853 13.445 1.00 39.21 O HETATM 1764 O HOH 153 53.464 -33.324 -11.480 1.00 39.24 O HETATM 1765 O HOH 154 57.213 -26.757 16.653 1.00 39.58 O HETATM 1766 O HOH 155 46.410 -31.421 -1.722 1.00 39.87 O HETATM 1767 O HOH 156 53.868 -59.713 5.703 1.00 39.91 O HETATM 1768 O HOH 157 69.745 -36.850 -9.765 1.00 40.71 O HETATM 1769 O HOH 158 44.206 -61.209 -5.288 1.00 40.98 O HETATM 1770 O HOH 159 71.041 -51.671 6.567 1.00 41.16 O HETATM 1771 O HOH 160 48.907 -42.357 15.348 1.00 41.90 O HETATM 1772 O HOH 161 62.874 -30.314 15.422 1.00 42.16 O HETATM 1773 O HOH 162 55.962 -57.143 -19.668 1.00 42.56 O HETATM 1774 O HOH 163 67.362 -46.376 -21.119 1.00 43.14 O HETATM 1775 O HOH 164 67.307 -33.157 -5.962 1.00 43.15 O HETATM 1776 O HOH 165 53.488 -23.127 12.664 1.00 43.45 O HETATM 1777 O HOH 166 42.191 -60.797 -2.765 1.00 43.55 O HETATM 1778 O HOH 167 52.415 -45.447 -16.011 1.00 43.70 O HETATM 1779 O HOH 168 71.973 -46.503 -15.503 1.00 43.73 O HETATM 1780 O HOH 169 71.458 -46.122 -3.459 1.00 43.84 O HETATM 1781 O HOH 170 46.939 -22.168 9.643 1.00 44.36 O HETATM 1782 O HOH 171 67.475 -51.864 10.338 1.00 45.10 O HETATM 1783 O HOH 172 65.984 -57.988 3.507 1.00 45.53 O HETATM 1784 O HOH 173 66.615 -32.072 -0.002 1.00 47.34 O HETATM 1785 O HOH 174 71.964 -44.799 -18.972 1.00 47.62 O HETATM 1786 C24 WPC A 175 69.129 -51.307 -9.124 1.00 -0.06 C HETATM 1787 C23 WPC A 175 70.512 -51.271 -9.377 1.00 -0.06 C HETATM 1788 C22 WPC A 175 71.209 -52.457 -9.656 1.00 -0.06 C HETATM 1789 C21 WPC A 175 70.533 -53.687 -9.678 1.00 -0.06 C HETATM 1790 C5 WPC A 175 69.176 -53.681 -9.423 1.00 0.00 C HETATM 1791 C6 WPC A 175 68.503 -52.533 -9.160 1.00 0.00 C HETATM 1792 C7 WPC A 175 67.110 -52.951 -8.966 1.00 0.18 C HETATM 1793 N3 WPC A 175 66.138 -52.055 -8.671 1.00 -0.26 N HETATM 1794 C4 WPC A 175 64.876 -52.450 -8.291 1.00 0.18 C HETATM 1795 C1 WPC A 175 63.874 -51.472 -7.873 1.00 0.00 C HETATM 1796 C25 WPC A 175 63.903 -50.109 -7.739 1.00 -0.06 C HETATM 1797 C26 WPC A 175 62.749 -49.469 -7.285 1.00 -0.06 C HETATM 1798 C27 WPC A 175 61.600 -50.224 -6.982 1.00 -0.06 C HETATM 1799 C28 WPC A 175 61.610 -51.618 -7.140 1.00 -0.06 C HETATM 1800 C2 WPC A 175 62.777 -52.208 -7.572 1.00 0.00 C HETATM 1801 C3 WPC A 175 63.138 -53.582 -7.881 1.00 0.18 C HETATM 1802 N1 WPC A 175 64.430 -53.752 -8.277 1.00 -0.11 N HETATM 1803 FE WPC A 175 65.323 -55.301 -8.704 1.00 0.00 FE HETATM 1804 N2 WPC A 175 66.907 -54.280 -9.091 1.00 -0.11 N HETATM 1805 C8 WPC A 175 68.166 -54.748 -9.292 1.00 0.18 C HETATM 1806 N5 WPC A 175 68.465 -56.051 -9.549 1.00 -0.26 N HETATM 1807 C11 WPC A 175 67.539 -57.057 -9.397 1.00 0.18 C HETATM 1808 N4 WPC A 175 66.202 -56.845 -9.114 1.00 -0.11 N HETATM 1809 C12 WPC A 175 65.722 -58.112 -9.220 1.00 0.18 C HETATM 1810 C9 WPC A 175 66.715 -59.115 -9.574 1.00 0.00 C HETATM 1811 C10 WPC A 175 67.853 -58.438 -9.780 1.00 0.00 C HETATM 1812 C20 WPC A 175 69.014 -59.080 -10.160 1.00 -0.06 C HETATM 1813 C19 WPC A 175 68.959 -60.455 -10.384 1.00 -0.06 C HETATM 1814 C18 WPC A 175 67.754 -61.145 -10.191 1.00 -0.06 C HETATM 1815 C17 WPC A 175 66.613 -60.450 -9.782 1.00 -0.06 C HETATM 1816 H12 WPC A 175 65.671 -60.965 -9.635 1.00 0.06 H HETATM 1817 H11 WPC A 175 67.708 -62.215 -10.359 1.00 0.06 H HETATM 1818 H10 WPC A 175 69.846 -60.989 -10.707 1.00 0.06 H HETATM 1819 H9 WPC A 175 69.941 -58.532 -10.281 1.00 0.06 H HETATM 1820 N8 WPC A 175 64.445 -58.500 -8.890 1.00 -0.26 N HETATM 1821 C15 WPC A 175 63.458 -57.596 -8.627 1.00 0.18 C HETATM 1822 N6 WPC A 175 63.694 -56.334 -8.283 1.00 -0.11 N HETATM 1823 C16 WPC A 175 62.479 -55.857 -8.081 1.00 0.18 C HETATM 1824 N7 WPC A 175 62.256 -54.612 -7.663 1.00 -0.26 N HETATM 1825 C13 WPC A 175 61.464 -56.917 -7.924 1.00 0.00 C HETATM 1826 C14 WPC A 175 62.113 -58.048 -8.261 1.00 0.00 C HETATM 1827 C32 WPC A 175 61.469 -59.252 -8.403 1.00 -0.06 C HETATM 1828 C31 WPC A 175 60.105 -59.305 -8.106 1.00 -0.06 C HETATM 1829 C30 WPC A 175 59.415 -58.128 -7.737 1.00 -0.06 C HETATM 1830 C29 WPC A 175 60.103 -56.906 -7.669 1.00 -0.06 C HETATM 1831 H14 WPC A 175 59.586 -55.985 -7.425 1.00 0.06 H HETATM 1832 H15 WPC A 175 58.356 -58.169 -7.507 1.00 0.06 H HETATM 1833 H16 WPC A 175 59.575 -60.249 -8.159 1.00 0.06 H HETATM 1834 H13 WPC A 175 62.003 -60.135 -8.736 1.00 0.06 H HETATM 1835 H17 WPC A 175 65.870 -55.464 -6.942 1.00 0.00 H HETATM 1836 H18 WPC A 175 64.776 -55.138 -10.466 1.00 0.00 H HETATM 1837 H8 WPC A 175 60.728 -52.211 -6.929 1.00 0.06 H HETATM 1838 H7 WPC A 175 60.705 -49.727 -6.626 1.00 0.06 H HETATM 1839 H6 WPC A 175 62.737 -48.392 -7.166 1.00 0.06 H HETATM 1840 H5 WPC A 175 64.796 -49.544 -7.979 1.00 0.06 H HETATM 1841 H4 WPC A 175 71.059 -54.611 -9.888 1.00 0.06 H HETATM 1842 H3 WPC A 175 72.274 -52.423 -9.855 1.00 0.06 H HETATM 1843 H2 WPC A 175 71.041 -50.325 -9.357 1.00 0.06 H HETATM 1844 H1 WPC A 175 68.575 -50.401 -8.908 1.00 0.06 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1786 1787 1791 1844 CONECT 1787 1786 1788 1843 CONECT 1788 1787 1789 1842 CONECT 1789 1788 1790 1841 CONECT 1790 1789 1791 1805 CONECT 1791 1786 1790 1792 CONECT 1792 1791 1793 1804 CONECT 1793 1792 1794 CONECT 1794 1793 1795 1802 CONECT 1795 1794 1796 1800 CONECT 1796 1795 1797 1840 CONECT 1797 1796 1798 1839 CONECT 1798 1797 1799 1838 CONECT 1799 1798 1800 1837 CONECT 1800 1795 1799 1801 CONECT 1801 1800 1802 1824 CONECT 1802 1794 1801 1803 CONECT 1803 1804 1808 1822 1835 CONECT 1803 1802 1836 CONECT 1804 1792 1803 1805 CONECT 1805 1790 1804 1806 CONECT 1806 1805 1807 CONECT 1807 1806 1808 1811 CONECT 1808 1803 1807 1809 CONECT 1809 1808 1810 1820 CONECT 1810 1809 1811 1815 CONECT 1811 1807 1810 1812 CONECT 1812 1811 1813 1819 CONECT 1813 1812 1814 1818 CONECT 1814 1813 1815 1817 CONECT 1815 1810 1814 1816 CONECT 1816 1815 CONECT 1817 1814 CONECT 1818 1813 CONECT 1819 1812 CONECT 1820 1809 1821 CONECT 1821 1820 1822 1826 CONECT 1822 1803 1821 1823 CONECT 1823 1822 1824 1825 CONECT 1824 1801 1823 CONECT 1825 1823 1826 1830 CONECT 1826 1821 1825 1827 CONECT 1827 1826 1828 1834 CONECT 1828 1827 1829 1833 CONECT 1829 1828 1830 1832 CONECT 1830 1825 1829 1831 CONECT 1831 1830 CONECT 1832 1829 CONECT 1833 1828 CONECT 1834 1827 CONECT 1835 1803 CONECT 1836 1803 CONECT 1837 1799 CONECT 1838 1798 CONECT 1839 1797 CONECT 1840 1796 CONECT 1841 1789 CONECT 1842 1788 CONECT 1843 1787 CONECT 1844 1786 MASTER 0 0 0 0 0 0 0 0 1843 1 64 15 END
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Related entries of code: 3w8o
Entries with 90% protein sequence similarity cutoff in PDBbind
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Complexes with the same small molecule ligand
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Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
3w8o
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Heme acquisition protein HasAp
Ligand Name
WPC
EC.Number
E.C.-.-.-.-
Resolution
1.85(Å)
Affinity (Kd/Ki/IC50)
IC50=24nM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Angew.Chem.Int.Ed.Engl. Vol. 53: pp. 2862-2866
Ligand Properties
Formula
C
3
2
H
2
2
FeN
8
Molecular Weight
574.416
Exact Mass
574.132
No. of atoms
63
No. of bonds
74
Polar Surface Area
67.84
LOGP Value
8.95 (
Computed with XLOGP3
)
8.82 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 12
Canonical SMILES
c1ccc2c(c1)c1Nc3n4[FeH2]56n1c2Nc1n5c(c2c1cccc2)Nc1n6c(Nc4c2c3cccc2)c2c1cccc2
InChI String
InChI=1S/C32H20N8.Fe.2H/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;;;/h1-16,37-40H;;;/q-4;+4;;
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):
G3XD33
Entrez Gene ID
NCBI Entrez Gene ID:
879854
ASD
Information of known allosteric effects of PDB entries
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