Browse entries in the PDBbind-CN Database
HEADER 6DH5_COMPLEX COMPND 6DH5_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 99 PRO GLN ILE THR LEU TRP LYS ARG PRO LEU VAL THR ILE SEQRES 2 A 99 LYS ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASP THR SEQRES 3 A 99 GLY ALA ASP ASP THR VAL LEU GLU GLU MET ASN LEU PRO SEQRES 4 A 99 GLY ARG TRP LYS PRO LYS MET ILE GLY GLY ILE GLY GLY SEQRES 5 A 99 PHE ILE LYS VAL ARG GLN TYR ASP GLN ILE LEU ILE GLU SEQRES 6 A 99 ILE CYS GLY HIS LYS ALA ILE GLY THR VAL LEU VAL GLY SEQRES 7 A 99 PRO THR PRO ILE ASN ILE ILE GLY ARG ASN LEU LEU THR SEQRES 8 A 99 GLN ILE GLY CYS THR LEU ASN PHE SEQRES 1 B 99 PRO GLN ILE THR LEU TRP LYS ARG PRO LEU VAL THR ILE SEQRES 2 B 99 LYS ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASP THR SEQRES 3 B 99 GLY ALA ASP ASP THR VAL LEU GLU GLU MET ASN LEU PRO SEQRES 4 B 99 GLY ARG TRP LYS PRO LYS MET ILE GLY GLY ILE GLY GLY SEQRES 5 B 99 PHE ILE LYS VAL ARG GLN TYR ASP GLN ILE LEU ILE GLU SEQRES 6 B 99 ILE CYS GLY HIS LYS ALA ILE GLY THR VAL LEU VAL GLY SEQRES 7 B 99 PRO THR PRO ILE ASN ILE ILE GLY ARG ASN LEU LEU THR SEQRES 8 B 99 GLN ILE GLY CYS THR LEU ASN PHE HET A A 60 94 ATOM 1 N PRO A 1 80.164 65.419 -2.967 1.00 38.04 N ATOM 2 CA PRO A 1 79.236 64.589 -3.742 1.00 33.89 C ATOM 3 C PRO A 1 77.805 64.654 -3.222 1.00 34.55 C ATOM 4 O PRO A 1 77.577 65.141 -2.115 1.00 30.09 O ATOM 5 CB PRO A 1 79.807 63.180 -3.569 1.00 43.72 C ATOM 6 CG PRO A 1 80.477 63.221 -2.242 1.00 36.39 C ATOM 7 CD PRO A 1 81.058 64.602 -2.127 1.00 33.12 C ATOM 8 HN2 PRO A 1 79.615 66.056 -2.355 1.00 0.00 H ATOM 9 HN1 PRO A 1 80.741 65.983 -3.624 1.00 0.00 H ATOM 10 N GLN A 2 76.858 64.172 -4.022 1.00 27.46 N ATOM 11 CA GLN A 2 75.470 64.022 -3.604 1.00 25.74 C ATOM 12 C GLN A 2 75.214 62.545 -3.330 1.00 31.44 C ATOM 13 O GLN A 2 75.441 61.700 -4.203 1.00 30.54 O ATOM 14 CB GLN A 2 74.515 64.556 -4.672 1.00 32.48 C ATOM 15 CG GLN A 2 73.042 64.395 -4.327 1.00 27.72 C ATOM 16 CD GLN A 2 72.146 65.273 -5.180 1.00 34.84 C ATOM 17 OE1 GLN A 2 71.853 66.414 -4.822 1.00 35.90 O ATOM 18 NE2 GLN A 2 71.706 64.744 -6.315 1.00 37.82 N ATOM 19 HE22 GLN A 2 71.979 63.776 -6.578 1.00 0.00 H ATOM 20 HE21 GLN A 2 71.088 65.298 -6.942 1.00 0.00 H ATOM 21 H GLN A 2 77.120 63.890 -4.988 1.00 0.00 H ATOM 22 N ILE A 3 74.757 62.235 -2.120 1.00 27.25 N ATOM 23 CA ILE A 3 74.597 60.858 -1.665 1.00 23.95 C ATOM 24 C ILE A 3 73.117 60.610 -1.409 1.00 24.28 C ATOM 25 O ILE A 3 72.499 61.298 -0.587 1.00 21.57 O ATOM 26 CB ILE A 3 75.430 60.579 -0.403 1.00 25.91 C ATOM 27 CG1 ILE A 3 76.918 60.808 -0.692 1.00 23.74 C ATOM 28 CG2 ILE A 3 75.202 59.149 0.094 1.00 25.78 C ATOM 29 CD1 ILE A 3 77.807 60.767 0.535 1.00 25.06 C ATOM 30 H ILE A 3 74.503 63.007 -1.471 1.00 0.00 H ATOM 31 N THR A 4 72.551 59.637 -2.119 1.00 18.75 N ATOM 32 CA THR A 4 71.195 59.196 -1.848 1.00 21.64 C ATOM 33 C THR A 4 71.192 58.230 -0.665 1.00 17.05 C ATOM 34 O THR A 4 72.239 57.775 -0.195 1.00 21.55 O ATOM 35 CB THR A 4 70.583 58.533 -3.083 1.00 25.44 C ATOM 36 OG1 THR A 4 71.422 57.456 -3.519 1.00 23.98 O ATOM 37 CG2 THR A 4 70.427 59.547 -4.211 1.00 30.91 C ATOM 38 HG1 THR A 4 71.503 56.788 -2.793 1.00 0.00 H ATOM 39 H THR A 4 73.091 59.184 -2.883 1.00 0.00 H ATOM 40 N LEU A 5 69.991 57.913 -0.181 1.00 18.70 N ATOM 41 CA LEU A 5 69.836 57.197 1.080 1.00 23.67 C ATOM 42 C LEU A 5 69.132 55.856 0.911 1.00 23.35 C ATOM 43 O LEU A 5 68.619 55.302 1.888 1.00 18.75 O ATOM 44 CB LEU A 5 69.091 58.079 2.082 1.00 16.56 C ATOM 45 CG LEU A 5 69.823 59.393 2.377 1.00 16.87 C ATOM 46 CD1 LEU A 5 68.961 60.329 3.205 1.00 18.30 C ATOM 47 CD2 LEU A 5 71.151 59.136 3.081 1.00 19.32 C ATOM 48 H LEU A 5 69.142 58.184 -0.717 1.00 0.00 H ATOM 49 N TRP A 6 69.110 55.314 -0.309 1.00 25.12 N ATOM 50 CA TRP A 6 68.574 53.973 -0.509 1.00 22.40 C ATOM 51 C TRP A 6 69.431 52.928 0.191 1.00 22.07 C ATOM 52 O TRP A 6 68.922 51.875 0.590 1.00 22.15 O ATOM 53 CB TRP A 6 68.471 53.671 -2.003 1.00 27.56 C ATOM 54 CG TRP A 6 67.606 54.644 -2.731 1.00 25.57 C ATOM 55 CD1 TRP A 6 68.016 55.670 -3.531 1.00 29.63 C ATOM 56 CD2 TRP A 6 66.177 54.693 -2.715 1.00 28.50 C ATOM 57 NE1 TRP A 6 66.928 56.353 -4.019 1.00 36.87 N ATOM 58 CE2 TRP A 6 65.786 55.771 -3.532 1.00 25.71 C ATOM 59 CE3 TRP A 6 65.188 53.927 -2.090 1.00 33.49 C ATOM 60 CZ2 TRP A 6 64.451 56.102 -3.740 1.00 34.79 C ATOM 61 CZ3 TRP A 6 63.864 54.257 -2.299 1.00 32.29 C ATOM 62 CH2 TRP A 6 63.507 55.334 -3.117 1.00 33.76 C ATOM 63 HE1 TRP A 6 66.965 57.176 -4.654 1.00 0.00 H ATOM 64 H TRP A 6 69.477 55.851 -1.121 1.00 0.00 H ATOM 65 N LYS A 7 70.723 53.198 0.345 1.00 20.68 N ATOM 66 CA LYS A 7 71.630 52.374 1.127 1.00 21.54 C ATOM 67 C LYS A 7 72.207 53.211 2.260 1.00 19.41 C ATOM 68 O LYS A 7 72.065 54.435 2.291 1.00 20.44 O ATOM 69 CB LYS A 7 72.755 51.806 0.251 1.00 24.96 C ATOM 70 H LYS A 7 71.106 54.046 -0.120 1.00 0.00 H ATOM 71 N ARG A 8 72.861 52.542 3.203 1.00 17.30 N ATOM 72 CA ARG A 8 73.507 53.259 4.292 1.00 16.89 C ATOM 73 C ARG A 8 74.590 54.174 3.724 1.00 21.02 C ATOM 74 O ARG A 8 75.384 53.735 2.880 1.00 15.27 O ATOM 75 CB ARG A 8 74.117 52.286 5.302 1.00 20.67 C ATOM 76 CG ARG A 8 73.107 51.664 6.258 1.00 20.12 C ATOM 77 CD ARG A 8 73.801 51.022 7.455 1.00 21.15 C ATOM 78 NE ARG A 8 72.852 50.576 8.473 1.00 28.24 N ATOM 79 CZ ARG A 8 73.196 50.019 9.630 1.00 24.28 C ATOM 80 NH1 ARG A 8 74.474 49.829 9.933 1.00 24.39 N ATOM 81 NH2 ARG A 8 72.259 49.647 10.490 1.00 28.99 N ATOM 82 HE ARG A 8 71.838 50.703 8.279 1.00 0.00 H ATOM 83 HH12 ARG A 8 74.734 49.392 10.840 1.00 0.00 H ATOM 84 HH11 ARG A 8 75.216 50.117 9.263 1.00 0.00 H ATOM 85 HH22 ARG A 8 72.528 49.211 11.395 1.00 0.00 H ATOM 86 HH21 ARG A 8 71.255 49.791 10.260 1.00 0.00 H ATOM 87 H ARG A 8 72.911 51.504 3.163 1.00 0.00 H ATOM 88 N PRO A 9 74.655 55.443 4.144 1.00 19.02 N ATOM 89 CA PRO A 9 75.719 56.331 3.623 1.00 17.65 C ATOM 90 C PRO A 9 77.079 56.047 4.252 1.00 18.06 C ATOM 91 O PRO A 9 77.612 56.809 5.068 1.00 16.46 O ATOM 92 CB PRO A 9 75.182 57.724 3.966 1.00 12.88 C ATOM 93 CG PRO A 9 74.330 57.523 5.160 1.00 13.53 C ATOM 94 CD PRO A 9 73.699 56.171 4.998 1.00 18.64 C ATOM 95 N LEU A 10 77.667 54.920 3.858 1.00 15.60 N ATOM 96 CA LEU A 10 78.980 54.516 4.341 1.00 14.00 C ATOM 97 C LEU A 10 80.069 55.108 3.455 1.00 23.03 C ATOM 98 O LEU A 10 79.966 55.084 2.225 1.00 22.89 O ATOM 99 CB LEU A 10 79.099 52.990 4.359 1.00 23.23 C ATOM 100 CG LEU A 10 78.099 52.244 5.243 1.00 19.53 C ATOM 101 CD1 LEU A 10 78.185 50.748 4.987 1.00 29.01 C ATOM 102 CD2 LEU A 10 78.349 52.552 6.709 1.00 21.62 C ATOM 103 H LEU A 10 77.171 54.306 3.181 1.00 0.00 H ATOM 104 N VAL A 11 81.117 55.640 4.088 1.00 20.87 N ATOM 105 CA VAL A 11 82.243 56.227 3.374 1.00 17.60 C ATOM 106 C VAL A 11 83.536 55.790 4.046 1.00 19.34 C ATOM 107 O VAL A 11 83.554 55.365 5.203 1.00 19.04 O ATOM 108 CB VAL A 11 82.173 57.771 3.319 1.00 19.21 C ATOM 109 CG1 VAL A 11 80.903 58.219 2.621 1.00 17.68 C ATOM 110 CG2 VAL A 11 82.259 58.370 4.719 1.00 25.03 C ATOM 111 H VAL A 11 81.130 55.635 5.128 1.00 0.00 H ATOM 112 N THR A 12 84.629 55.908 3.300 1.00 20.21 N ATOM 113 CA THR A 12 85.954 55.607 3.817 1.00 21.46 C ATOM 114 C THR A 12 86.518 56.838 4.512 1.00 21.23 C ATOM 115 O THR A 12 86.459 57.947 3.971 1.00 24.13 O ATOM 116 CB THR A 12 86.888 55.160 2.691 1.00 28.03 C ATOM 117 OG1 THR A 12 86.296 54.063 1.988 1.00 24.06 O ATOM 118 CG2 THR A 12 88.237 54.727 3.248 1.00 27.10 C ATOM 119 HG1 THR A 12 86.901 53.774 1.260 1.00 0.00 H ATOM 120 H THR A 12 84.534 56.226 2.314 1.00 0.00 H ATOM 121 N ILE A 13 87.054 56.639 5.713 1.00 18.02 N ATOM 122 CA ILE A 13 87.680 57.702 6.482 1.00 22.23 C ATOM 123 C ILE A 13 89.130 57.313 6.732 1.00 23.64 C ATOM 124 O ILE A 13 89.519 56.151 6.599 1.00 20.73 O ATOM 125 CB ILE A 13 86.946 57.968 7.814 1.00 16.54 C ATOM 126 CG1 ILE A 13 86.969 56.721 8.703 1.00 14.59 C ATOM 127 CG2 ILE A 13 85.507 58.387 7.541 1.00 22.34 C ATOM 128 CD1 ILE A 13 86.591 56.982 10.140 1.00 20.04 C ATOM 129 H ILE A 13 87.024 55.682 6.119 1.00 0.00 H ATOM 130 N LYS A 14 89.934 58.308 7.101 1.00 30.31 N ATOM 131 CA LYS A 14 91.325 58.088 7.479 1.00 24.17 C ATOM 132 C LYS A 14 91.585 58.794 8.799 1.00 25.49 C ATOM 133 O LYS A 14 91.450 60.019 8.889 1.00 26.35 O ATOM 134 CB LYS A 14 92.284 58.590 6.396 1.00 30.46 C ATOM 135 CG LYS A 14 93.751 58.484 6.778 1.00 31.18 C ATOM 136 CD LYS A 14 94.649 58.602 5.558 1.00 40.43 C ATOM 137 CE LYS A 14 96.091 58.878 5.948 1.00 53.55 C ATOM 138 NZ LYS A 14 96.541 60.218 5.482 1.00 55.72 N ATOM 139 HZ1 LYS A 14 96.467 60.266 4.446 1.00 0.00 H ATOM 140 HZ2 LYS A 14 95.940 60.952 5.908 1.00 0.00 H ATOM 141 HZ3 LYS A 14 97.530 60.369 5.767 1.00 0.00 H ATOM 142 H LYS A 14 89.556 59.277 7.120 1.00 0.00 H ATOM 143 N ILE A 15 91.944 58.021 9.820 1.00 24.01 N ATOM 144 CA ILE A 15 92.199 58.546 11.156 1.00 22.78 C ATOM 145 C ILE A 15 93.390 57.796 11.735 1.00 31.48 C ATOM 146 O ILE A 15 93.465 56.567 11.632 1.00 34.31 O ATOM 147 CB ILE A 15 90.964 58.410 12.071 1.00 29.14 C ATOM 148 CG1 ILE A 15 91.258 59.010 13.450 1.00 23.49 C ATOM 149 CG2 ILE A 15 90.525 56.947 12.165 1.00 28.90 C ATOM 150 CD1 ILE A 15 90.092 58.964 14.417 1.00 30.61 C ATOM 151 H ILE A 15 92.047 56.999 9.659 1.00 0.00 H ATOM 152 N GLY A 16 94.319 58.531 12.337 1.00 34.75 N ATOM 153 CA GLY A 16 95.522 57.912 12.872 1.00 33.76 C ATOM 154 C GLY A 16 96.290 57.116 11.841 1.00 38.17 C ATOM 155 O GLY A 16 96.867 56.071 12.167 1.00 43.14 O ATOM 156 H GLY A 16 94.185 59.558 12.427 1.00 0.00 H ATOM 157 N GLY A 17 96.307 57.586 10.594 1.00 32.62 N ATOM 158 CA GLY A 17 96.997 56.887 9.529 1.00 31.18 C ATOM 159 C GLY A 17 96.361 55.587 9.101 1.00 37.06 C ATOM 160 O GLY A 17 97.006 54.802 8.401 1.00 38.43 O ATOM 161 H GLY A 17 95.813 58.476 10.380 1.00 0.00 H ATOM 162 N GLN A 18 95.114 55.336 9.492 1.00 39.34 N ATOM 163 CA GLN A 18 94.434 54.081 9.213 1.00 34.12 C ATOM 164 C GLN A 18 93.128 54.355 8.482 1.00 31.42 C ATOM 165 O GLN A 18 92.397 55.290 8.825 1.00 31.56 O ATOM 166 CB GLN A 18 94.159 53.316 10.511 1.00 36.41 C ATOM 167 CG GLN A 18 93.551 51.938 10.316 1.00 44.10 C ATOM 168 CD GLN A 18 93.512 51.138 11.604 1.00 44.17 C ATOM 169 OE1 GLN A 18 92.945 51.577 12.605 1.00 48.59 O ATOM 170 NE2 GLN A 18 94.127 49.962 11.588 1.00 54.13 N ATOM 171 HE22 GLN A 18 94.593 49.631 10.719 1.00 0.00 H ATOM 172 HE21 GLN A 18 94.143 49.372 12.444 1.00 0.00 H ATOM 173 H GLN A 18 94.602 56.071 10.021 1.00 0.00 H ATOM 174 N LEU A 19 92.841 53.539 7.471 1.00 22.60 N ATOM 175 CA LEU A 19 91.592 53.644 6.731 1.00 27.08 C ATOM 176 C LEU A 19 90.507 52.823 7.417 1.00 33.12 C ATOM 177 O LEU A 19 90.765 51.731 7.932 1.00 35.12 O ATOM 178 CB LEU A 19 91.766 53.167 5.287 1.00 31.34 C ATOM 179 CG LEU A 19 92.748 53.923 4.386 1.00 30.16 C ATOM 180 CD1 LEU A 19 92.581 53.461 2.945 1.00 25.62 C ATOM 181 CD2 LEU A 19 92.569 55.432 4.488 1.00 30.27 C ATOM 182 H LEU A 19 93.528 52.806 7.202 1.00 0.00 H ATOM 183 N LYS A 20 89.290 53.362 7.419 1.00 27.02 N ATOM 184 CA LYS A 20 88.145 52.700 8.025 1.00 25.45 C ATOM 185 C LYS A 20 86.891 53.091 7.259 1.00 20.95 C ATOM 186 O LYS A 20 86.876 54.074 6.513 1.00 23.19 O ATOM 187 CB LYS A 20 87.979 53.073 9.503 1.00 24.03 C ATOM 188 CG LYS A 20 89.033 52.513 10.436 1.00 31.45 C ATOM 189 CD LYS A 20 88.907 53.153 11.809 1.00 30.22 C ATOM 190 CE LYS A 20 89.900 52.580 12.797 1.00 36.12 C ATOM 191 NZ LYS A 20 89.457 51.276 13.362 1.00 28.06 N ATOM 192 HZ1 LYS A 20 88.551 51.404 13.856 1.00 0.00 H ATOM 193 HZ2 LYS A 20 89.339 50.588 12.591 1.00 0.00 H ATOM 194 HZ3 LYS A 20 90.173 50.929 14.032 1.00 0.00 H ATOM 195 H LYS A 20 89.153 54.290 6.971 1.00 0.00 H ATOM 196 N GLU A 21 85.834 52.313 7.460 1.00 21.28 N ATOM 197 CA GLU A 21 84.516 52.634 6.934 1.00 22.31 C ATOM 198 C GLU A 21 83.654 53.187 8.061 1.00 21.45 C ATOM 199 O GLU A 21 83.680 52.674 9.184 1.00 19.07 O ATOM 200 CB GLU A 21 83.855 51.401 6.316 1.00 23.70 C ATOM 201 CG GLU A 21 82.591 51.715 5.538 1.00 27.30 C ATOM 202 CD GLU A 21 82.156 50.572 4.645 1.00 27.54 C ATOM 203 OE1 GLU A 21 81.800 49.500 5.177 1.00 35.83 O ATOM 204 OE2 GLU A 21 82.179 50.745 3.408 1.00 28.44 O ATOM 205 H GLU A 21 85.953 51.441 8.014 1.00 0.00 H ATOM 206 N ALA A 22 82.899 54.242 7.761 1.00 19.59 N ATOM 207 CA ALA A 22 82.101 54.917 8.772 1.00 17.98 C ATOM 208 C ALA A 22 80.781 55.374 8.172 1.00 17.93 C ATOM 209 O ALA A 22 80.677 55.629 6.969 1.00 17.82 O ATOM 210 CB ALA A 22 82.843 56.119 9.368 1.00 16.32 C ATOM 211 H ALA A 22 82.880 54.591 6.782 1.00 0.00 H ATOM 212 N LEU A 23 79.777 55.482 9.036 1.00 19.38 N ATOM 213 CA LEU A 23 78.426 55.865 8.652 1.00 16.90 C ATOM 214 C LEU A 23 78.223 57.353 8.904 1.00 14.76 C ATOM 215 O LEU A 23 78.461 57.835 10.017 1.00 15.52 O ATOM 216 CB LEU A 23 77.402 55.052 9.446 1.00 18.31 C ATOM 217 CG LEU A 23 75.917 55.320 9.196 1.00 14.77 C ATOM 218 CD1 LEU A 23 75.517 54.907 7.797 1.00 16.69 C ATOM 219 CD2 LEU A 23 75.070 54.583 10.225 1.00 19.64 C ATOM 220 H LEU A 23 79.966 55.282 10.039 1.00 0.00 H ATOM 221 N LEU A 24 77.783 58.073 7.873 1.00 12.02 N ATOM 222 CA LEU A 24 77.422 59.481 8.013 1.00 15.89 C ATOM 223 C LEU A 24 76.073 59.546 8.715 1.00 15.29 C ATOM 224 O LEU A 24 75.057 59.100 8.169 1.00 17.25 O ATOM 225 CB LEU A 24 77.381 60.167 6.651 1.00 20.52 C ATOM 226 CG LEU A 24 78.675 60.125 5.833 1.00 15.45 C ATOM 227 CD1 LEU A 24 78.512 60.932 4.553 1.00 21.48 C ATOM 228 CD2 LEU A 24 79.868 60.635 6.636 1.00 17.91 C ATOM 229 H LEU A 24 77.694 57.619 6.942 1.00 0.00 H ATOM 230 N ASP A 25 76.061 60.103 9.922 1.00 12.79 N ATOM 231 CA ASP A 25 74.943 59.976 10.854 1.00 14.59 C ATOM 232 C ASP A 25 74.497 61.372 11.281 1.00 11.26 C ATOM 233 O ASP A 25 75.023 61.934 12.244 1.00 11.51 O ATOM 234 CB ASP A 25 75.370 59.124 12.052 1.00 15.86 C ATOM 235 CG ASP A 25 74.208 58.727 12.936 1.00 12.38 C ATOM 236 OD1 ASP A 25 73.084 59.222 12.714 1.00 12.60 O ATOM 237 OD2 ASP A 25 74.429 57.911 13.852 1.00 11.55 O ATOM 238 H ASP A 25 76.890 60.657 10.218 1.00 0.00 H ATOM 239 N THR A 26 73.516 61.933 10.566 1.00 15.31 N ATOM 240 CA THR A 26 73.034 63.270 10.899 1.00 14.59 C ATOM 241 C THR A 26 72.282 63.300 12.223 1.00 15.56 C ATOM 242 O THR A 26 72.074 64.384 12.779 1.00 13.21 O ATOM 243 CB THR A 26 72.135 63.811 9.784 1.00 12.35 C ATOM 244 OG1 THR A 26 71.039 62.916 9.556 1.00 13.37 O ATOM 245 CG2 THR A 26 72.932 63.992 8.495 1.00 14.29 C ATOM 246 HG1 THR A 26 70.509 62.827 10.387 1.00 0.00 H ATOM 247 H THR A 26 73.095 61.414 9.769 1.00 0.00 H ATOM 248 N GLY A 27 71.874 62.145 12.740 1.00 12.45 N ATOM 249 CA GLY A 27 71.226 62.075 14.030 1.00 12.56 C ATOM 250 C GLY A 27 72.167 61.952 15.204 1.00 14.47 C ATOM 251 O GLY A 27 71.712 61.815 16.343 1.00 15.01 O ATOM 252 H GLY A 27 72.025 61.268 12.202 1.00 0.00 H ATOM 253 N ALA A 28 73.474 61.983 14.959 1.00 10.46 N ATOM 254 CA ALA A 28 74.481 61.935 16.009 1.00 14.81 C ATOM 255 C ALA A 28 75.071 63.327 16.192 1.00 11.29 C ATOM 256 O ALA A 28 75.565 63.923 15.229 1.00 12.56 O ATOM 257 CB ALA A 28 75.584 60.940 15.658 1.00 12.62 C ATOM 258 H ALA A 28 73.791 62.044 13.971 1.00 0.00 H ATOM 259 N ASP A 29 75.015 63.844 17.423 1.00 16.37 N ATOM 260 CA ASP A 29 75.731 65.078 17.730 1.00 17.22 C ATOM 261 C ASP A 29 77.233 64.872 17.609 1.00 16.17 C ATOM 262 O ASP A 29 77.957 65.754 17.131 1.00 14.97 O ATOM 263 CB ASP A 29 75.390 65.561 19.140 1.00 15.84 C ATOM 264 CG ASP A 29 73.904 65.728 19.360 1.00 21.06 C ATOM 265 OD1 ASP A 29 73.164 65.892 18.369 1.00 19.63 O ATOM 266 OD2 ASP A 29 73.478 65.705 20.534 1.00 18.06 O ATOM 267 H ASP A 29 74.461 63.367 18.163 1.00 0.00 H ATOM 268 N ASP A 30 77.714 63.706 18.028 1.00 12.94 N ATOM 269 CA ASP A 30 79.133 63.447 18.178 1.00 15.23 C ATOM 270 C ASP A 30 79.562 62.305 17.269 1.00 16.11 C ATOM 271 O ASP A 30 78.744 61.508 16.802 1.00 12.88 O ATOM 272 CB ASP A 30 79.471 63.106 19.633 1.00 21.56 C ATOM 273 CG ASP A 30 78.953 64.145 20.607 1.00 22.03 C ATOM 274 OD1 ASP A 30 79.241 65.342 20.404 1.00 21.68 O ATOM 275 OD2 ASP A 30 78.248 63.765 21.566 1.00 35.56 O ATOM 276 H ASP A 30 77.043 62.946 18.259 1.00 0.00 H ATOM 277 N THR A 31 80.868 62.245 17.030 1.00 15.55 N ATOM 278 CA THR A 31 81.481 61.187 16.242 1.00 16.32 C ATOM 279 C THR A 31 81.974 60.088 17.175 1.00 17.76 C ATOM 280 O THR A 31 82.725 60.357 18.119 1.00 15.56 O ATOM 281 CB THR A 31 82.640 61.751 15.417 1.00 16.85 C ATOM 282 OG1 THR A 31 82.131 62.671 14.444 1.00 13.88 O ATOM 283 CG2 THR A 31 83.422 60.645 14.711 1.00 19.93 C ATOM 284 HG1 THR A 31 81.663 63.411 14.905 1.00 0.00 H ATOM 285 H THR A 31 81.479 62.988 17.424 1.00 0.00 H ATOM 286 N VAL A 32 81.553 58.854 16.908 1.00 18.12 N ATOM 287 CA VAL A 32 81.890 57.711 17.749 1.00 17.11 C ATOM 288 C VAL A 32 82.459 56.615 16.860 1.00 15.01 C ATOM 289 O VAL A 32 81.820 56.208 15.883 1.00 15.22 O ATOM 290 CB VAL A 32 80.669 57.190 18.533 1.00 15.52 C ATOM 291 CG1 VAL A 32 81.114 56.209 19.611 1.00 13.19 C ATOM 292 CG2 VAL A 32 79.883 58.344 19.146 1.00 18.98 C ATOM 293 H VAL A 32 80.961 58.699 16.067 1.00 0.00 H ATOM 294 N LEU A 33 83.656 56.142 17.199 1.00 12.83 N ATOM 295 CA LEU A 33 84.334 55.093 16.455 1.00 15.57 C ATOM 296 C LEU A 33 84.534 53.870 17.337 1.00 20.27 C ATOM 297 O LEU A 33 84.672 53.978 18.560 1.00 14.91 O ATOM 298 CB LEU A 33 85.695 55.566 15.936 1.00 17.85 C ATOM 299 CG LEU A 33 85.695 56.804 15.043 1.00 16.90 C ATOM 300 CD1 LEU A 33 87.113 57.105 14.583 1.00 30.33 C ATOM 301 CD2 LEU A 33 84.770 56.622 13.852 1.00 21.61 C ATOM 302 H LEU A 33 84.128 56.541 18.035 1.00 0.00 H ATOM 303 N GLU A 34 84.556 52.704 16.699 1.00 22.25 N ATOM 304 CA GLU A 34 84.794 51.460 17.408 1.00 22.00 C ATOM 305 C GLU A 34 86.174 51.480 18.060 1.00 23.48 C ATOM 306 O GLU A 34 87.011 52.348 17.795 1.00 19.85 O ATOM 307 CB GLU A 34 84.674 50.273 16.454 1.00 18.01 C ATOM 308 CG GLU A 34 83.308 50.150 15.802 1.00 20.99 C ATOM 309 CD GLU A 34 83.163 48.888 14.975 1.00 28.23 C ATOM 310 OE1 GLU A 34 83.735 48.834 13.866 1.00 31.71 O ATOM 311 OE2 GLU A 34 82.483 47.948 15.440 1.00 33.21 O ATOM 312 H GLU A 34 84.400 52.683 15.671 1.00 0.00 H ATOM 313 N GLU A 35 86.406 50.493 18.921 1.00 23.07 N ATOM 314 CA GLU A 35 87.643 50.433 19.687 1.00 27.47 C ATOM 315 C GLU A 35 88.854 50.498 18.766 1.00 23.03 C ATOM 316 O GLU A 35 88.908 49.818 17.738 1.00 19.38 O ATOM 317 CB GLU A 35 87.681 49.149 20.518 1.00 30.01 C ATOM 318 CG GLU A 35 88.651 49.203 21.683 1.00 39.01 C ATOM 319 CD GLU A 35 88.291 50.281 22.687 1.00 48.10 C ATOM 320 OE1 GLU A 35 87.102 50.384 23.056 1.00 39.93 O ATOM 321 OE2 GLU A 35 89.199 51.033 23.095 1.00 53.78 O ATOM 322 H GLU A 35 85.690 49.750 19.050 1.00 0.00 H ATOM 323 N MET A 36 89.820 51.331 19.140 1.00 28.56 N ATOM 324 CA MET A 36 91.045 51.499 18.371 1.00 34.10 C ATOM 325 C MET A 36 92.066 52.203 19.252 1.00 36.12 C ATOM 326 O MET A 36 91.722 52.783 20.286 1.00 34.10 O ATOM 327 CB MET A 36 90.804 52.302 17.086 1.00 30.49 C ATOM 328 CG MET A 36 90.496 53.782 17.321 1.00 32.19 C ATOM 329 SD MET A 36 90.266 54.726 15.802 1.00 34.18 S ATOM 330 CE MET A 36 91.845 54.471 14.992 1.00 40.08 C ATOM 331 H MET A 36 89.696 51.882 20.013 1.00 0.00 H ATOM 332 N ASN A 37 93.323 52.152 18.824 1.00 41.42 N ATOM 333 CA ASN A 37 94.409 52.849 19.501 1.00 44.09 C ATOM 334 C ASN A 37 94.632 54.190 18.813 1.00 48.32 C ATOM 335 O ASN A 37 94.967 54.234 17.624 1.00 42.68 O ATOM 336 CB ASN A 37 95.693 52.017 19.488 1.00 49.95 C ATOM 337 CG ASN A 37 95.601 50.789 20.371 1.00 50.49 C ATOM 338 OD1 ASN A 37 95.515 50.897 21.594 1.00 55.59 O ATOM 339 ND2 ASN A 37 95.631 49.613 19.756 1.00 57.49 N ATOM 340 HD22 ASN A 37 95.704 49.570 18.719 1.00 0.00 H ATOM 341 HD21 ASN A 37 95.581 48.735 20.311 1.00 0.00 H ATOM 342 H ASN A 37 93.540 51.594 17.974 1.00 0.00 H ATOM 343 N LEU A 38 94.439 55.279 19.559 1.00 45.28 N ATOM 344 CA LEU A 38 94.685 56.614 19.047 1.00 46.66 C ATOM 345 C LEU A 38 95.789 57.288 19.852 1.00 40.86 C ATOM 346 O LEU A 38 95.794 57.200 21.084 1.00 44.04 O ATOM 347 CB LEU A 38 93.415 57.481 19.104 1.00 45.98 C ATOM 348 CG LEU A 38 92.515 57.529 17.866 1.00 42.01 C ATOM 349 CD1 LEU A 38 91.351 58.474 18.118 1.00 40.52 C ATOM 350 CD2 LEU A 38 93.279 57.964 16.620 1.00 42.44 C ATOM 351 H LEU A 38 94.102 55.168 20.537 1.00 0.00 H ATOM 352 N PRO A 39 96.737 57.956 19.199 1.00 50.87 N ATOM 353 CA PRO A 39 97.796 58.643 19.943 1.00 49.44 C ATOM 354 C PRO A 39 97.302 59.934 20.576 1.00 46.83 C ATOM 355 O PRO A 39 96.383 60.591 20.080 1.00 48.20 O ATOM 356 CB PRO A 39 98.854 58.923 18.869 1.00 54.62 C ATOM 357 CG PRO A 39 98.075 59.038 17.607 1.00 56.51 C ATOM 358 CD PRO A 39 96.914 58.090 17.740 1.00 50.83 C ATOM 359 N GLY A 40 97.932 60.292 21.692 1.00 55.28 N ATOM 360 CA GLY A 40 97.619 61.520 22.399 1.00 63.71 C ATOM 361 C GLY A 40 96.798 61.270 23.649 1.00 52.40 C ATOM 362 O GLY A 40 96.381 60.149 23.959 1.00 54.04 O ATOM 363 H GLY A 40 98.675 59.670 22.071 1.00 0.00 H ATOM 364 N ARG A 41 96.565 62.357 24.380 1.00 48.97 N ATOM 365 CA ARG A 41 95.803 62.284 25.616 1.00 47.00 C ATOM 366 C ARG A 41 94.322 62.053 25.326 1.00 49.71 C ATOM 367 O ARG A 41 93.824 62.309 24.225 1.00 48.16 O ATOM 368 CB ARG A 41 95.981 63.565 26.430 1.00 42.75 C ATOM 369 H ARG A 41 96.935 63.275 24.061 1.00 0.00 H ATOM 370 N TRP A 42 93.617 61.561 26.342 1.00 51.35 N ATOM 371 CA TRP A 42 92.191 61.289 26.238 1.00 44.97 C ATOM 372 C TRP A 42 91.599 61.297 27.638 1.00 48.10 C ATOM 373 O TRP A 42 92.302 61.048 28.621 1.00 48.42 O ATOM 374 CB TRP A 42 91.923 59.944 25.551 1.00 44.40 C ATOM 375 CG TRP A 42 92.441 58.767 26.324 1.00 43.49 C ATOM 376 CD1 TRP A 42 93.621 58.112 26.129 1.00 41.06 C ATOM 377 CD2 TRP A 42 91.795 58.110 27.422 1.00 38.81 C ATOM 378 NE1 TRP A 42 93.750 57.087 27.035 1.00 43.18 N ATOM 379 CE2 TRP A 42 92.643 57.066 27.841 1.00 46.87 C ATOM 380 CE3 TRP A 42 90.582 58.304 28.090 1.00 41.49 C ATOM 381 CZ2 TRP A 42 92.315 56.217 28.897 1.00 42.98 C ATOM 382 CZ3 TRP A 42 90.259 57.461 29.138 1.00 43.86 C ATOM 383 CH2 TRP A 42 91.122 56.431 29.531 1.00 41.04 C ATOM 384 HE1 TRP A 42 94.557 56.434 27.098 1.00 0.00 H ATOM 385 H TRP A 42 94.102 61.364 27.241 1.00 0.00 H ATOM 386 N LYS A 43 90.303 61.585 27.718 1.00 38.54 N ATOM 387 CA LYS A 43 89.584 61.557 28.980 1.00 36.47 C ATOM 388 C LYS A 43 88.344 60.687 28.854 1.00 34.51 C ATOM 389 O LYS A 43 87.748 60.595 27.776 1.00 26.52 O ATOM 390 CB LYS A 43 89.179 62.970 29.433 1.00 39.66 C ATOM 391 CG LYS A 43 88.694 63.886 28.321 1.00 44.49 C ATOM 392 CD LYS A 43 88.126 65.179 28.893 1.00 45.76 C ATOM 393 CE LYS A 43 88.236 66.330 27.905 1.00 43.46 C ATOM 394 NZ LYS A 43 87.355 67.473 28.278 1.00 49.15 N ATOM 395 HZ1 LYS A 43 86.365 67.154 28.297 1.00 0.00 H ATOM 396 HZ2 LYS A 43 87.625 67.825 29.219 1.00 0.00 H ATOM 397 HZ3 LYS A 43 87.462 68.234 27.578 1.00 0.00 H ATOM 398 H LYS A 43 89.788 61.838 26.850 1.00 0.00 H ATOM 399 N PRO A 44 87.935 60.034 29.940 1.00 34.31 N ATOM 400 CA PRO A 44 86.742 59.183 29.882 1.00 36.42 C ATOM 401 C PRO A 44 85.469 60.010 29.932 1.00 32.61 C ATOM 402 O PRO A 44 85.366 60.985 30.680 1.00 32.29 O ATOM 403 CB PRO A 44 86.882 58.302 31.129 1.00 38.11 C ATOM 404 CG PRO A 44 87.613 59.171 32.095 1.00 38.79 C ATOM 405 CD PRO A 44 88.556 60.015 31.277 1.00 33.51 C ATOM 406 N LYS A 45 84.491 59.610 29.120 1.00 28.61 N ATOM 407 CA LYS A 45 83.221 60.314 29.040 1.00 28.56 C ATOM 408 C LYS A 45 82.097 59.302 28.869 1.00 27.33 C ATOM 409 O LYS A 45 82.328 58.119 28.604 1.00 26.38 O ATOM 410 CB LYS A 45 83.209 61.326 27.886 1.00 26.53 C ATOM 411 H LYS A 45 84.640 58.770 28.526 1.00 0.00 H ATOM 412 N MET A 46 80.869 59.787 29.027 1.00 24.06 N ATOM 413 CA MET A 46 79.666 58.984 28.870 1.00 26.73 C ATOM 414 C MET A 46 78.817 59.570 27.751 1.00 25.94 C ATOM 415 O MET A 46 78.650 60.791 27.664 1.00 23.57 O ATOM 416 CB MET A 46 78.857 58.950 30.170 1.00 28.27 C ATOM 417 CG MET A 46 79.586 58.318 31.349 1.00 38.51 C ATOM 418 SD MET A 46 79.827 56.540 31.176 1.00 41.57 S ATOM 419 CE MET A 46 78.131 55.959 31.131 1.00 33.48 C ATOM 420 H MET A 46 80.763 60.791 29.275 1.00 0.00 H ATOM 421 N ILE A 47 78.282 58.701 26.894 1.00 19.38 N ATOM 422 CA ILE A 47 77.406 59.125 25.809 1.00 22.98 C ATOM 423 C ILE A 47 76.230 58.162 25.728 1.00 20.32 C ATOM 424 O ILE A 47 76.369 56.960 25.968 1.00 22.53 O ATOM 425 CB ILE A 47 78.159 59.205 24.460 1.00 25.03 C ATOM 426 CG1 ILE A 47 77.303 59.919 23.412 1.00 28.24 C ATOM 427 CG2 ILE A 47 78.556 57.818 23.970 1.00 26.26 C ATOM 428 CD1 ILE A 47 78.110 60.774 22.461 1.00 37.73 C ATOM 429 H ILE A 47 78.496 57.689 27.003 1.00 0.00 H ATOM 430 N GLY A 48 75.068 58.699 25.386 1.00 15.40 N ATOM 431 CA GLY A 48 73.833 57.930 25.363 1.00 24.54 C ATOM 432 C GLY A 48 73.238 57.851 23.971 1.00 28.08 C ATOM 433 O GLY A 48 73.234 58.838 23.232 1.00 27.03 O ATOM 434 H GLY A 48 75.038 59.705 25.125 1.00 0.00 H ATOM 435 N GLY A 49 72.735 56.669 23.625 1.00 19.66 N ATOM 436 CA GLY A 49 72.041 56.461 22.371 1.00 20.88 C ATOM 437 C GLY A 49 70.634 55.946 22.589 1.00 22.85 C ATOM 438 O GLY A 49 70.045 56.159 23.652 1.00 18.14 O ATOM 439 H GLY A 49 72.844 55.867 24.278 1.00 0.00 H ATOM 440 N ILE A 50 70.085 55.251 21.592 1.00 16.50 N ATOM 441 CA ILE A 50 68.699 54.806 21.689 1.00 18.96 C ATOM 442 C ILE A 50 68.530 53.774 22.796 1.00 18.03 C ATOM 443 O ILE A 50 67.435 53.632 23.355 1.00 22.77 O ATOM 444 CB ILE A 50 68.220 54.262 20.329 1.00 20.90 C ATOM 445 CG1 ILE A 50 66.689 54.244 20.269 1.00 21.76 C ATOM 446 CG2 ILE A 50 68.785 52.866 20.068 1.00 19.98 C ATOM 447 CD1 ILE A 50 66.132 54.069 18.867 1.00 22.85 C ATOM 448 H ILE A 50 70.645 55.026 20.745 1.00 0.00 H ATOM 449 N GLY A 51 69.595 53.053 23.144 1.00 23.42 N ATOM 450 CA GLY A 51 69.471 51.930 24.053 1.00 22.47 C ATOM 451 C GLY A 51 70.122 52.128 25.405 1.00 21.92 C ATOM 452 O GLY A 51 70.147 51.201 26.218 1.00 25.56 O ATOM 453 H GLY A 51 70.529 53.299 22.758 1.00 0.00 H ATOM 454 N GLY A 52 70.650 53.326 25.665 1.00 20.66 N ATOM 455 CA GLY A 52 71.258 53.618 26.941 1.00 25.06 C ATOM 456 C GLY A 52 72.570 54.344 26.764 1.00 20.73 C ATOM 457 O GLY A 52 72.820 54.974 25.730 1.00 17.94 O ATOM 458 H GLY A 52 70.623 54.064 24.933 1.00 0.00 H ATOM 459 N PHE A 53 73.419 54.243 27.785 1.00 22.66 N ATOM 460 CA PHE A 53 74.673 54.979 27.854 1.00 21.83 C ATOM 461 C PHE A 53 75.850 54.017 27.848 1.00 19.07 C ATOM 462 O PHE A 53 75.797 52.950 28.468 1.00 20.25 O ATOM 463 CB PHE A 53 74.728 55.851 29.113 1.00 21.81 C ATOM 464 CG PHE A 53 73.813 57.035 29.065 1.00 26.78 C ATOM 465 CD1 PHE A 53 72.444 56.873 29.183 1.00 22.71 C ATOM 466 CD2 PHE A 53 74.321 58.313 28.907 1.00 29.12 C ATOM 467 CE1 PHE A 53 71.597 57.961 29.140 1.00 30.65 C ATOM 468 CE2 PHE A 53 73.478 59.407 28.864 1.00 28.41 C ATOM 469 CZ PHE A 53 72.114 59.230 28.981 1.00 27.39 C ATOM 470 H PHE A 53 73.174 53.608 28.571 1.00 0.00 H ATOM 471 N ILE A 54 76.915 54.407 27.146 1.00 20.93 N ATOM 472 CA ILE A 54 78.155 53.645 27.099 1.00 22.74 C ATOM 473 C ILE A 54 79.291 54.534 27.588 1.00 25.80 C ATOM 474 O ILE A 54 79.169 55.759 27.668 1.00 23.03 O ATOM 475 CB ILE A 54 78.465 53.106 25.685 1.00 22.63 C ATOM 476 CG1 ILE A 54 78.585 54.257 24.677 1.00 19.76 C ATOM 477 CG2 ILE A 54 77.394 52.117 25.252 1.00 21.76 C ATOM 478 CD1 ILE A 54 79.127 53.836 23.321 1.00 24.94 C ATOM 479 H ILE A 54 76.857 55.295 26.608 1.00 0.00 H ATOM 480 N LYS A 55 80.410 53.894 27.912 1.00 20.72 N ATOM 481 CA LYS A 55 81.631 54.586 28.303 1.00 25.97 C ATOM 482 C LYS A 55 82.545 54.686 27.090 1.00 23.69 C ATOM 483 O LYS A 55 82.712 53.709 26.352 1.00 28.71 O ATOM 484 CB LYS A 55 82.338 53.850 29.443 1.00 22.33 C ATOM 485 H LYS A 55 80.414 52.854 27.885 1.00 0.00 H ATOM 486 N VAL A 56 83.129 55.866 26.882 1.00 23.04 N ATOM 487 CA VAL A 56 83.989 56.121 25.734 1.00 23.80 C ATOM 488 C VAL A 56 85.216 56.894 26.199 1.00 29.07 C ATOM 489 O VAL A 56 85.261 57.435 27.305 1.00 27.09 O ATOM 490 CB VAL A 56 83.259 56.898 24.616 1.00 23.61 C ATOM 491 CG1 VAL A 56 82.035 56.126 24.139 1.00 20.85 C ATOM 492 CG2 VAL A 56 82.862 58.290 25.092 1.00 24.62 C ATOM 493 H VAL A 56 82.965 56.633 27.565 1.00 0.00 H ATOM 494 N ARG A 57 86.220 56.935 25.329 1.00 24.33 N ATOM 495 CA ARG A 57 87.413 57.746 25.527 1.00 29.35 C ATOM 496 C ARG A 57 87.351 58.910 24.549 1.00 23.17 C ATOM 497 O ARG A 57 87.221 58.700 23.339 1.00 23.57 O ATOM 498 CB ARG A 57 88.681 56.919 25.315 1.00 28.38 C ATOM 499 CG ARG A 57 88.744 55.670 26.179 1.00 36.40 C ATOM 500 CD ARG A 57 90.138 55.073 26.195 1.00 40.39 C ATOM 501 NE ARG A 57 90.728 55.003 24.861 1.00 43.10 N ATOM 502 CZ ARG A 57 90.559 53.996 24.010 1.00 47.94 C ATOM 503 NH1 ARG A 57 91.140 54.030 22.819 1.00 50.18 N ATOM 504 NH2 ARG A 57 89.810 52.954 24.342 1.00 46.59 N ATOM 505 HE ARG A 57 91.324 55.799 24.555 1.00 0.00 H ATOM 506 HH12 ARG A 57 91.008 53.242 22.153 1.00 0.00 H ATOM 507 HH11 ARG A 57 91.728 54.845 22.550 1.00 0.00 H ATOM 508 HH22 ARG A 57 89.683 52.170 23.671 1.00 0.00 H ATOM 509 HH21 ARG A 57 89.350 52.920 25.274 1.00 0.00 H ATOM 510 H ARG A 57 86.150 56.360 24.465 1.00 0.00 H ATOM 511 N GLN A 58 87.427 60.128 25.074 1.00 24.11 N ATOM 512 CA GLN A 58 87.295 61.330 24.261 1.00 20.79 C ATOM 513 C GLN A 58 88.675 61.798 23.814 1.00 29.37 C ATOM 514 O GLN A 58 89.553 62.043 24.647 1.00 26.72 O ATOM 515 CB GLN A 58 86.580 62.431 25.043 1.00 19.79 C ATOM 516 CG GLN A 58 86.532 63.767 24.320 1.00 20.82 C ATOM 517 CD GLN A 58 85.680 64.792 25.041 1.00 27.06 C ATOM 518 OE1 GLN A 58 84.802 64.443 25.828 1.00 27.87 O ATOM 519 NE2 GLN A 58 85.936 66.067 24.775 1.00 25.06 N ATOM 520 HE22 GLN A 58 86.688 66.317 24.102 1.00 0.00 H ATOM 521 HE21 GLN A 58 85.384 66.816 25.240 1.00 0.00 H ATOM 522 H GLN A 58 87.586 60.227 26.097 1.00 0.00 H ATOM 523 N TYR A 59 88.856 61.921 22.501 1.00 21.68 N ATOM 524 CA TYR A 59 90.075 62.455 21.904 1.00 24.56 C ATOM 525 C TYR A 59 89.737 63.781 21.236 1.00 26.36 C ATOM 526 O TYR A 59 88.860 63.834 20.368 1.00 23.02 O ATOM 527 CB TYR A 59 90.664 61.480 20.884 1.00 27.93 C ATOM 528 CG TYR A 59 91.157 60.179 21.471 1.00 31.97 C ATOM 529 CD1 TYR A 59 90.275 59.150 21.776 1.00 32.47 C ATOM 530 CD2 TYR A 59 92.509 59.975 21.706 1.00 35.94 C ATOM 531 CE1 TYR A 59 90.727 57.960 22.307 1.00 31.78 C ATOM 532 CE2 TYR A 59 92.970 58.787 22.236 1.00 37.11 C ATOM 533 CZ TYR A 59 92.075 57.783 22.535 1.00 39.44 C ATOM 534 OH TYR A 59 92.528 56.597 23.062 1.00 35.15 O ATOM 535 HH TYR A 59 91.760 55.991 23.216 1.00 0.00 H ATOM 536 H TYR A 59 88.088 61.621 21.868 1.00 0.00 H ATOM 537 N ASP A 60 90.429 64.842 21.637 1.00 27.06 N ATOM 538 CA ASP A 60 90.172 66.179 21.123 1.00 25.73 C ATOM 539 C ASP A 60 91.163 66.541 20.023 1.00 26.72 C ATOM 540 O ASP A 60 92.303 66.070 20.006 1.00 30.19 O ATOM 541 CB ASP A 60 90.251 67.215 22.247 1.00 25.83 C ATOM 542 CG ASP A 60 89.091 67.113 23.219 1.00 31.66 C ATOM 543 OD1 ASP A 60 87.960 66.833 22.770 1.00 25.40 O ATOM 544 OD2 ASP A 60 89.310 67.315 24.432 1.00 40.53 O ATOM 545 H ASP A 60 91.181 64.712 22.343 1.00 0.00 H ATOM 546 N GLN A 61 90.708 67.392 19.103 1.00 26.29 N ATOM 547 CA GLN A 61 91.546 67.941 18.037 1.00 22.45 C ATOM 548 C GLN A 61 92.279 66.836 17.276 1.00 31.26 C ATOM 549 O GLN A 61 93.482 66.913 17.015 1.00 22.69 O ATOM 550 CB GLN A 61 92.528 68.971 18.601 1.00 26.76 C ATOM 551 CG GLN A 61 92.104 70.411 18.366 1.00 30.70 C ATOM 552 CD GLN A 61 93.088 71.409 18.944 1.00 34.92 C ATOM 553 OE1 GLN A 61 92.880 71.941 20.033 1.00 39.69 O ATOM 554 NE2 GLN A 61 94.166 71.672 18.213 1.00 33.07 N ATOM 555 HE22 GLN A 61 94.301 71.198 17.297 1.00 0.00 H ATOM 556 HE21 GLN A 61 94.874 72.351 18.557 1.00 0.00 H ATOM 557 H GLN A 61 89.709 67.679 19.145 1.00 0.00 H ATOM 558 N ILE A 62 91.531 65.801 16.903 1.00 22.46 N ATOM 559 CA ILE A 62 92.071 64.689 16.129 1.00 24.23 C ATOM 560 C ILE A 62 91.854 64.976 14.652 1.00 19.98 C ATOM 561 O ILE A 62 90.756 65.369 14.239 1.00 22.69 O ATOM 562 CB ILE A 62 91.411 63.359 16.532 1.00 21.06 C ATOM 563 CG1 ILE A 62 91.717 63.022 17.995 1.00 25.47 C ATOM 564 CG2 ILE A 62 91.864 62.216 15.609 1.00 27.39 C ATOM 565 CD1 ILE A 62 93.179 62.710 18.288 1.00 35.11 C ATOM 566 H ILE A 62 90.527 65.784 17.173 1.00 0.00 H ATOM 567 N LEU A 63 92.899 64.777 13.855 1.00 19.33 N ATOM 568 CA LEU A 63 92.786 64.902 12.409 1.00 20.39 C ATOM 569 C LEU A 63 92.090 63.671 11.844 1.00 24.81 C ATOM 570 O LEU A 63 92.419 62.538 12.207 1.00 25.33 O ATOM 571 CB LEU A 63 94.167 65.069 11.776 1.00 31.15 C ATOM 572 H LEU A 63 93.817 64.527 14.274 1.00 0.00 H ATOM 573 N ILE A 64 91.123 63.895 10.959 1.00 23.09 N ATOM 574 CA ILE A 64 90.345 62.812 10.366 1.00 24.98 C ATOM 575 C ILE A 64 89.850 63.275 9.004 1.00 23.95 C ATOM 576 O ILE A 64 89.248 64.346 8.882 1.00 27.26 O ATOM 577 CB ILE A 64 89.171 62.391 11.276 1.00 27.66 C ATOM 578 CG1 ILE A 64 88.281 61.360 10.577 1.00 23.62 C ATOM 579 CG2 ILE A 64 88.360 63.614 11.702 1.00 30.08 C ATOM 580 CD1 ILE A 64 87.261 60.710 11.502 1.00 26.82 C ATOM 581 H ILE A 64 90.914 64.875 10.680 1.00 0.00 H ATOM 582 N GLU A 65 90.111 62.469 7.980 1.00 22.40 N ATOM 583 CA GLU A 65 89.731 62.782 6.608 1.00 23.60 C ATOM 584 C GLU A 65 88.529 61.926 6.233 1.00 25.59 C ATOM 585 O GLU A 65 88.588 60.695 6.320 1.00 26.50 O ATOM 586 CB GLU A 65 90.898 62.537 5.651 1.00 29.32 C ATOM 587 CG GLU A 65 90.653 63.032 4.236 1.00 31.33 C ATOM 588 CD GLU A 65 91.913 63.035 3.392 1.00 40.17 C ATOM 589 OE1 GLU A 65 92.962 62.568 3.884 1.00 31.79 O ATOM 590 OE2 GLU A 65 91.855 63.506 2.236 1.00 40.65 O ATOM 591 H GLU A 65 90.609 61.575 8.166 1.00 0.00 H ATOM 592 N ILE A 66 87.446 62.578 5.822 1.00 24.95 N ATOM 593 CA ILE A 66 86.180 61.914 5.532 1.00 22.36 C ATOM 594 C ILE A 66 85.910 62.063 4.043 1.00 22.30 C ATOM 595 O ILE A 66 85.581 63.158 3.568 1.00 24.34 O ATOM 596 CB ILE A 66 85.030 62.499 6.364 1.00 22.79 C ATOM 597 CG1 ILE A 66 85.311 62.321 7.857 1.00 23.10 C ATOM 598 CG2 ILE A 66 83.706 61.833 6.000 1.00 21.01 C ATOM 599 CD1 ILE A 66 84.641 63.354 8.724 1.00 24.65 C ATOM 600 H ILE A 66 87.504 63.609 5.702 1.00 0.00 H ATOM 601 N CYS A 67 86.040 60.963 3.304 1.00 24.80 N ATOM 602 CA CYS A 67 85.737 60.951 1.876 1.00 28.36 C ATOM 603 C CYS A 67 86.479 62.073 1.153 1.00 27.58 C ATOM 604 O CYS A 67 85.925 62.765 0.297 1.00 31.72 O ATOM 605 CB CYS A 67 84.227 61.054 1.647 1.00 25.78 C ATOM 606 SG CYS A 67 83.684 60.607 -0.012 1.00 40.96 S ATOM 607 H CYS A 67 86.367 60.086 3.758 1.00 0.00 H ATOM 608 N GLY A 68 87.747 62.262 1.514 1.00 26.68 N ATOM 609 CA GLY A 68 88.586 63.258 0.882 1.00 33.83 C ATOM 610 C GLY A 68 88.523 64.643 1.488 1.00 29.87 C ATOM 611 O GLY A 68 89.230 65.539 1.009 1.00 31.56 O ATOM 612 H GLY A 68 88.147 61.675 2.274 1.00 0.00 H ATOM 613 N HIS A 69 87.709 64.853 2.520 1.00 30.74 N ATOM 614 CA HIS A 69 87.573 66.151 3.168 1.00 21.15 C ATOM 615 C HIS A 69 88.176 66.089 4.564 1.00 27.74 C ATOM 616 O HIS A 69 87.814 65.221 5.366 1.00 24.76 O ATOM 617 CB HIS A 69 86.105 66.578 3.245 1.00 25.53 C ATOM 618 CG HIS A 69 85.528 66.993 1.927 1.00 30.53 C ATOM 619 ND1 HIS A 69 85.280 66.099 0.907 1.00 35.90 N ATOM 620 CD2 HIS A 69 85.156 68.208 1.461 1.00 30.22 C ATOM 621 CE1 HIS A 69 84.778 66.747 -0.130 1.00 31.93 C ATOM 622 NE2 HIS A 69 84.692 68.028 0.181 1.00 33.51 N ATOM 623 H HIS A 69 87.146 64.056 2.879 1.00 0.00 H ATOM 624 N LYS A 70 89.087 67.014 4.851 1.00 27.21 N ATOM 625 CA LYS A 70 89.782 67.027 6.129 1.00 30.69 C ATOM 626 C LYS A 70 88.930 67.682 7.208 1.00 25.61 C ATOM 627 O LYS A 70 88.201 68.645 6.952 1.00 24.50 O ATOM 628 CB LYS A 70 91.113 67.770 6.005 1.00 32.21 C ATOM 629 CG LYS A 70 92.219 66.963 5.348 1.00 39.26 C ATOM 630 CD LYS A 70 93.456 67.815 5.102 1.00 43.15 C ATOM 631 CE LYS A 70 94.657 66.962 4.721 1.00 42.11 C ATOM 632 NZ LYS A 70 94.392 66.106 3.531 1.00 62.87 N ATOM 633 HZ1 LYS A 70 93.596 65.468 3.735 1.00 0.00 H ATOM 634 HZ2 LYS A 70 94.155 66.709 2.718 1.00 0.00 H ATOM 635 HZ3 LYS A 70 95.240 65.545 3.313 1.00 0.00 H ATOM 636 H LYS A 70 89.308 67.745 4.145 1.00 0.00 H ATOM 637 N ALA A 71 89.031 67.149 8.422 1.00 18.69 N ATOM 638 CA ALA A 71 88.394 67.731 9.590 1.00 16.94 C ATOM 639 C ALA A 71 89.292 67.508 10.796 1.00 19.74 C ATOM 640 O ALA A 71 90.068 66.550 10.842 1.00 23.23 O ATOM 641 CB ALA A 71 87.007 67.126 9.845 1.00 21.00 C ATOM 642 H ALA A 71 89.589 66.279 8.540 1.00 0.00 H ATOM 643 N ILE A 72 89.188 68.409 11.769 1.00 14.57 N ATOM 644 CA ILE A 72 89.942 68.320 13.014 1.00 16.61 C ATOM 645 C ILE A 72 88.964 68.592 14.146 1.00 20.32 C ATOM 646 O ILE A 72 88.474 69.719 14.290 1.00 22.53 O ATOM 647 CB ILE A 72 91.118 69.306 13.064 1.00 20.16 C ATOM 648 CG1 ILE A 72 92.027 69.125 11.845 1.00 20.36 C ATOM 649 CG2 ILE A 72 91.910 69.111 14.355 1.00 23.22 C ATOM 650 CD1 ILE A 72 93.121 70.174 11.728 1.00 26.34 C ATOM 651 H ILE A 72 88.541 69.212 11.636 1.00 0.00 H ATOM 652 N GLY A 73 88.686 67.578 14.950 1.00 16.65 N ATOM 653 CA GLY A 73 87.708 67.737 16.000 1.00 22.45 C ATOM 654 C GLY A 73 87.755 66.606 16.997 1.00 25.86 C ATOM 655 O GLY A 73 88.724 65.848 17.062 1.00 22.62 O ATOM 656 H GLY A 73 89.172 66.667 14.825 1.00 0.00 H ATOM 657 N THR A 74 86.678 66.501 17.769 1.00 23.50 N ATOM 658 CA THR A 74 86.581 65.529 18.847 1.00 21.10 C ATOM 659 C THR A 74 86.115 64.187 18.297 1.00 24.80 C ATOM 660 O THR A 74 85.169 64.126 17.504 1.00 18.73 O ATOM 661 CB THR A 74 85.618 66.030 19.925 1.00 24.95 C ATOM 662 OG1 THR A 74 86.129 67.242 20.494 1.00 24.40 O ATOM 663 CG2 THR A 74 85.442 64.997 21.029 1.00 21.99 C ATOM 664 HG1 THR A 74 87.016 67.067 20.898 1.00 0.00 H ATOM 665 H THR A 74 85.874 67.138 17.596 1.00 0.00 H ATOM 666 N VAL A 75 86.787 63.118 18.719 1.00 24.24 N ATOM 667 CA VAL A 75 86.456 61.756 18.316 1.00 20.87 C ATOM 668 C VAL A 75 86.300 60.925 19.580 1.00 24.12 C ATOM 669 O VAL A 75 87.225 60.855 20.399 1.00 23.08 O ATOM 670 CB VAL A 75 87.529 61.147 17.395 1.00 23.61 C ATOM 671 CG1 VAL A 75 87.215 59.685 17.080 1.00 23.67 C ATOM 672 CG2 VAL A 75 87.642 61.951 16.109 1.00 20.28 C ATOM 673 H VAL A 75 87.587 63.261 19.368 1.00 0.00 H ATOM 674 N LEU A 76 85.136 60.307 19.741 1.00 15.02 N ATOM 675 CA LEU A 76 84.868 59.413 20.856 1.00 20.80 C ATOM 676 C LEU A 76 85.112 57.977 20.412 1.00 20.92 C ATOM 677 O LEU A 76 84.738 57.589 19.301 1.00 20.50 O ATOM 678 CB LEU A 76 83.431 59.577 21.354 1.00 21.22 C ATOM 679 CG LEU A 76 82.986 61.021 21.598 1.00 19.55 C ATOM 680 CD1 LEU A 76 81.540 61.067 22.067 1.00 23.62 C ATOM 681 CD2 LEU A 76 83.896 61.712 22.602 1.00 22.29 C ATOM 682 H LEU A 76 84.385 60.469 19.040 1.00 0.00 H ATOM 683 N VAL A 77 85.751 57.196 21.279 1.00 19.14 N ATOM 684 CA VAL A 77 86.127 55.819 20.975 1.00 21.70 C ATOM 685 C VAL A 77 85.519 54.921 22.043 1.00 22.53 C ATOM 686 O VAL A 77 85.756 55.124 23.241 1.00 21.11 O ATOM 687 CB VAL A 77 87.653 55.645 20.911 1.00 23.10 C ATOM 688 CG1 VAL A 77 88.020 54.200 20.590 1.00 23.04 C ATOM 689 CG2 VAL A 77 88.250 56.588 19.875 1.00 27.41 C ATOM 690 H VAL A 77 85.993 57.583 22.213 1.00 0.00 H ATOM 691 N GLY A 78 84.743 53.932 21.611 1.00 23.84 N ATOM 692 CA GLY A 78 84.077 53.037 22.524 1.00 23.88 C ATOM 693 C GLY A 78 83.231 52.002 21.811 1.00 21.52 C ATOM 694 O GLY A 78 83.295 51.848 20.587 1.00 20.71 O ATOM 695 H GLY A 78 84.613 53.800 20.588 1.00 0.00 H ATOM 696 N PRO A 79 82.416 51.267 22.575 1.00 25.07 N ATOM 697 CA PRO A 79 81.626 50.152 22.016 1.00 23.68 C ATOM 698 C PRO A 79 80.374 50.613 21.273 1.00 22.96 C ATOM 699 O PRO A 79 79.241 50.259 21.617 1.00 20.38 O ATOM 700 CB PRO A 79 81.296 49.329 23.269 1.00 24.54 C ATOM 701 CG PRO A 79 81.234 50.340 24.366 1.00 27.80 C ATOM 702 CD PRO A 79 82.293 51.352 24.041 1.00 23.29 C ATOM 703 N THR A 80 80.574 51.415 20.235 1.00 23.31 N ATOM 704 CA THR A 80 79.470 51.759 19.358 1.00 16.28 C ATOM 705 C THR A 80 79.207 50.622 18.372 1.00 14.86 C ATOM 706 O THR A 80 80.141 49.945 17.932 1.00 19.14 O ATOM 707 CB THR A 80 79.765 53.043 18.588 1.00 20.76 C ATOM 708 OG1 THR A 80 78.698 53.294 17.666 1.00 19.51 O ATOM 709 CG2 THR A 80 81.083 52.939 17.808 1.00 19.39 C ATOM 710 HG1 THR A 80 78.625 52.536 17.034 1.00 0.00 H ATOM 711 H THR A 80 81.523 51.798 20.050 1.00 0.00 H ATOM 712 N PRO A 81 77.943 50.389 18.009 1.00 17.18 N ATOM 713 CA PRO A 81 77.651 49.316 17.044 1.00 15.55 C ATOM 714 C PRO A 81 78.316 49.509 15.693 1.00 17.03 C ATOM 715 O PRO A 81 78.502 48.521 14.970 1.00 15.19 O ATOM 716 CB PRO A 81 76.119 49.351 16.926 1.00 21.74 C ATOM 717 CG PRO A 81 75.715 50.690 17.430 1.00 23.15 C ATOM 718 CD PRO A 81 76.713 51.052 18.477 1.00 16.49 C ATOM 719 N ILE A 82 78.684 50.737 15.329 1.00 16.13 N ATOM 720 CA ILE A 82 79.306 51.004 14.038 1.00 16.31 C ATOM 721 C ILE A 82 79.963 52.373 14.106 1.00 19.74 C ATOM 722 O ILE A 82 79.494 53.268 14.815 1.00 17.16 O ATOM 723 CB ILE A 82 78.266 50.927 12.891 1.00 15.06 C ATOM 724 CG1 ILE A 82 78.948 51.128 11.535 1.00 21.74 C ATOM 725 CG2 ILE A 82 77.168 51.964 13.099 1.00 20.02 C ATOM 726 CD1 ILE A 82 78.056 50.824 10.342 1.00 25.34 C ATOM 727 H ILE A 82 78.523 51.528 15.985 1.00 0.00 H ATOM 728 N ASN A 83 81.057 52.536 13.363 1.00 19.12 N ATOM 729 CA ASN A 83 81.678 53.847 13.237 1.00 18.54 C ATOM 730 C ASN A 83 80.669 54.836 12.671 1.00 14.54 C ATOM 731 O ASN A 83 80.080 54.600 11.611 1.00 14.38 O ATOM 732 CB ASN A 83 82.901 53.779 12.320 1.00 16.01 C ATOM 733 CG ASN A 83 84.016 52.918 12.880 1.00 17.95 C ATOM 734 OD1 ASN A 83 84.244 52.872 14.089 1.00 16.94 O ATOM 735 ND2 ASN A 83 84.730 52.238 11.992 1.00 20.37 N ATOM 736 HD22 ASN A 83 84.502 52.306 10.980 1.00 0.00 H ATOM 737 HD21 ASN A 83 85.517 51.637 12.308 1.00 0.00 H ATOM 738 H ASN A 83 81.471 51.720 12.869 1.00 0.00 H ATOM 739 N ILE A 84 80.467 55.948 13.373 1.00 14.74 N ATOM 740 CA ILE A 84 79.542 56.983 12.929 1.00 11.65 C ATOM 741 C ILE A 84 80.260 58.322 12.898 1.00 16.74 C ATOM 742 O ILE A 84 81.019 58.655 13.815 1.00 15.25 O ATOM 743 CB ILE A 84 78.292 57.063 13.830 1.00 15.06 C ATOM 744 CG1 ILE A 84 78.694 57.219 15.298 1.00 20.20 C ATOM 745 CG2 ILE A 84 77.426 55.832 13.628 1.00 16.89 C ATOM 746 CD1 ILE A 84 77.548 57.600 16.204 1.00 15.99 C ATOM 747 H ILE A 84 80.985 56.083 14.265 1.00 0.00 H ATOM 748 N ILE A 85 80.021 59.083 11.834 1.00 17.88 N ATOM 749 CA ILE A 85 80.467 60.467 11.730 1.00 15.24 C ATOM 750 C ILE A 85 79.279 61.351 12.082 1.00 16.53 C ATOM 751 O ILE A 85 78.247 61.317 11.400 1.00 14.29 O ATOM 752 CB ILE A 85 80.999 60.786 10.324 1.00 14.85 C ATOM 753 CG1 ILE A 85 82.103 59.798 9.924 1.00 14.81 C ATOM 754 CG2 ILE A 85 81.506 62.223 10.253 1.00 16.50 C ATOM 755 CD1 ILE A 85 83.303 59.780 10.857 1.00 16.85 C ATOM 756 H ILE A 85 79.491 58.672 11.039 1.00 0.00 H ATOM 757 N GLY A 86 79.419 62.137 13.150 1.00 11.74 N ATOM 758 CA GLY A 86 78.346 62.968 13.646 1.00 13.80 C ATOM 759 C GLY A 86 78.489 64.425 13.226 1.00 11.29 C ATOM 760 O GLY A 86 79.422 64.825 12.535 1.00 13.48 O ATOM 761 H GLY A 86 80.334 62.153 13.644 1.00 0.00 H ATOM 762 N ARG A 87 77.530 65.231 13.688 1.00 13.63 N ATOM 763 CA ARG A 87 77.414 66.603 13.205 1.00 13.67 C ATOM 764 C ARG A 87 78.649 67.436 13.526 1.00 15.47 C ATOM 765 O ARG A 87 78.968 68.373 12.785 1.00 16.70 O ATOM 766 CB ARG A 87 76.160 67.259 13.786 1.00 12.07 C ATOM 767 CG ARG A 87 74.871 66.684 13.224 1.00 11.56 C ATOM 768 CD ARG A 87 73.643 67.481 13.641 1.00 10.92 C ATOM 769 NE ARG A 87 73.459 67.481 15.091 1.00 13.55 N ATOM 770 CZ ARG A 87 73.813 68.471 15.909 1.00 16.76 C ATOM 771 NH1 ARG A 87 74.371 69.580 15.440 1.00 14.72 N ATOM 772 NH2 ARG A 87 73.602 68.351 17.211 1.00 15.35 N ATOM 773 HE ARG A 87 73.017 66.642 15.518 1.00 0.00 H ATOM 774 HH12 ARG A 87 74.641 70.343 16.093 1.00 0.00 H ATOM 775 HH11 ARG A 87 74.538 69.686 14.419 1.00 0.00 H ATOM 776 HH22 ARG A 87 73.876 69.120 17.855 1.00 0.00 H ATOM 777 HH21 ARG A 87 73.162 67.488 17.589 1.00 0.00 H ATOM 778 H ARG A 87 76.859 64.877 14.399 1.00 0.00 H ATOM 779 N ASN A 88 79.360 67.123 14.612 1.00 15.85 N ATOM 780 CA ASN A 88 80.530 67.925 14.960 1.00 20.09 C ATOM 781 C ASN A 88 81.561 67.921 13.840 1.00 17.79 C ATOM 782 O ASN A 88 82.322 68.885 13.695 1.00 19.68 O ATOM 783 CB ASN A 88 81.158 67.427 16.264 1.00 17.14 C ATOM 784 CG ASN A 88 81.818 66.066 16.117 1.00 17.98 C ATOM 785 OD1 ASN A 88 81.227 65.130 15.583 1.00 14.20 O ATOM 786 ND2 ASN A 88 83.053 65.954 16.594 1.00 16.20 N ATOM 787 HD22 ASN A 88 83.515 66.773 17.038 1.00 0.00 H ATOM 788 HD21 ASN A 88 83.558 65.047 16.523 1.00 0.00 H ATOM 789 H ASN A 88 79.083 66.315 15.205 1.00 0.00 H ATOM 790 N LEU A 89 81.599 66.859 13.036 1.00 17.88 N ATOM 791 CA LEU A 89 82.502 66.787 11.894 1.00 21.58 C ATOM 792 C LEU A 89 81.797 66.992 10.562 1.00 16.52 C ATOM 793 O LEU A 89 82.399 67.548 9.636 1.00 14.29 O ATOM 794 CB LEU A 89 83.225 65.435 11.872 1.00 16.84 C ATOM 795 CG LEU A 89 84.127 65.119 13.068 1.00 21.37 C ATOM 796 CD1 LEU A 89 84.845 63.793 12.849 1.00 18.38 C ATOM 797 CD2 LEU A 89 85.136 66.235 13.318 1.00 16.57 C ATOM 798 H LEU A 89 80.965 66.057 13.229 1.00 0.00 H ATOM 799 N LEU A 90 80.540 66.557 10.438 1.00 19.13 N ATOM 800 CA LEU A 90 79.795 66.810 9.209 1.00 16.26 C ATOM 801 C LEU A 90 79.764 68.299 8.890 1.00 19.80 C ATOM 802 O LEU A 90 79.856 68.696 7.722 1.00 15.67 O ATOM 803 CB LEU A 90 78.374 66.261 9.328 1.00 12.22 C ATOM 804 CG LEU A 90 78.220 64.751 9.517 1.00 17.55 C ATOM 805 CD1 LEU A 90 76.767 64.415 9.791 1.00 15.29 C ATOM 806 CD2 LEU A 90 78.726 63.986 8.302 1.00 22.62 C ATOM 807 H LEU A 90 80.091 66.037 11.219 1.00 0.00 H ATOM 808 N THR A 91 79.629 69.141 9.919 1.00 19.36 N ATOM 809 CA THR A 91 79.677 70.583 9.703 1.00 14.79 C ATOM 810 C THR A 91 81.024 71.007 9.132 1.00 18.06 C ATOM 811 O THR A 91 81.092 71.909 8.290 1.00 17.25 O ATOM 812 CB THR A 91 79.399 71.326 11.012 1.00 18.07 C ATOM 813 OG1 THR A 91 80.239 70.810 12.052 1.00 18.71 O ATOM 814 CG2 THR A 91 77.939 71.184 11.421 1.00 18.87 C ATOM 815 HG1 THR A 91 80.053 69.846 12.177 1.00 0.00 H ATOM 816 H THR A 91 79.489 68.766 10.879 1.00 0.00 H ATOM 817 N GLN A 92 82.108 70.364 9.572 1.00 18.42 N ATOM 818 CA GLN A 92 83.438 70.775 9.133 1.00 18.18 C ATOM 819 C GLN A 92 83.671 70.482 7.656 1.00 21.95 C ATOM 820 O GLN A 92 84.400 71.226 6.992 1.00 22.02 O ATOM 821 CB GLN A 92 84.511 70.089 9.979 1.00 17.84 C ATOM 822 CG GLN A 92 84.646 70.651 11.382 1.00 14.13 C ATOM 823 CD GLN A 92 85.973 70.298 12.024 1.00 15.95 C ATOM 824 OE1 GLN A 92 86.952 70.014 11.334 1.00 19.35 O ATOM 825 NE2 GLN A 92 86.013 70.312 13.350 1.00 17.85 N ATOM 826 HE22 GLN A 92 85.161 70.558 13.893 1.00 0.00 H ATOM 827 HE21 GLN A 92 86.896 70.077 13.846 1.00 0.00 H ATOM 828 H GLN A 92 82.004 69.566 10.231 1.00 0.00 H ATOM 829 N ILE A 93 83.070 69.420 7.119 1.00 18.63 N ATOM 830 CA ILE A 93 83.283 69.065 5.719 1.00 18.67 C ATOM 831 C ILE A 93 82.206 69.706 4.853 1.00 22.27 C ATOM 832 O ILE A 93 82.127 69.443 3.648 1.00 16.99 O ATOM 833 CB ILE A 93 83.320 67.537 5.526 1.00 23.41 C ATOM 834 CG1 ILE A 93 82.002 66.892 5.966 1.00 20.18 C ATOM 835 CG2 ILE A 93 84.494 66.945 6.299 1.00 18.91 C ATOM 836 CD1 ILE A 93 81.891 65.423 5.604 1.00 21.98 C ATOM 837 H ILE A 93 82.440 68.836 7.706 1.00 0.00 H ATOM 838 N GLY A 94 81.380 70.560 5.455 1.00 22.29 N ATOM 839 CA GLY A 94 80.366 71.278 4.706 1.00 23.72 C ATOM 840 C GLY A 94 79.161 70.450 4.324 1.00 24.95 C ATOM 841 O GLY A 94 78.544 70.709 3.285 1.00 17.71 O ATOM 842 H GLY A 94 81.463 70.715 6.480 1.00 0.00 H ATOM 843 N CYS A 95 78.795 69.470 5.144 1.00 15.94 N ATOM 844 CA CYS A 95 77.734 68.531 4.812 1.00 20.23 C ATOM 845 C CYS A 95 76.374 69.103 5.192 1.00 22.70 C ATOM 846 O CYS A 95 76.189 69.602 6.308 1.00 22.42 O ATOM 847 CB CYS A 95 77.972 67.199 5.524 1.00 23.86 C ATOM 848 SG CYS A 95 76.851 65.889 5.029 1.00 21.56 S ATOM 849 H CYS A 95 79.285 69.371 6.056 1.00 0.00 H ATOM 850 N THR A 96 75.427 69.028 4.258 1.00 16.47 N ATOM 851 CA THR A 96 74.067 69.497 4.471 1.00 16.74 C ATOM 852 C THR A 96 73.080 68.433 4.010 1.00 21.23 C ATOM 853 O THR A 96 73.406 67.557 3.206 1.00 19.42 O ATOM 854 CB THR A 96 73.788 70.803 3.711 1.00 21.43 C ATOM 855 OG1 THR A 96 73.890 70.569 2.300 1.00 18.68 O ATOM 856 CG2 THR A 96 74.777 71.893 4.117 1.00 24.83 C ATOM 857 HG1 THR A 96 74.802 70.251 2.085 1.00 0.00 H ATOM 858 H THR A 96 75.671 68.616 3.335 1.00 0.00 H ATOM 859 N LEU A 97 71.864 68.520 4.541 1.00 21.36 N ATOM 860 CA LEU A 97 70.742 67.735 4.044 1.00 18.18 C ATOM 861 C LEU A 97 69.969 68.560 3.026 1.00 25.23 C ATOM 862 O LEU A 97 69.765 69.763 3.211 1.00 18.23 O ATOM 863 CB LEU A 97 69.819 67.317 5.190 1.00 18.81 C ATOM 864 CG LEU A 97 70.349 66.257 6.157 1.00 11.15 C ATOM 865 CD1 LEU A 97 69.484 66.199 7.405 1.00 17.58 C ATOM 866 CD2 LEU A 97 70.401 64.893 5.487 1.00 19.47 C ATOM 867 H LEU A 97 71.709 69.170 5.338 1.00 0.00 H ATOM 868 N ASN A 98 69.544 67.908 1.945 1.00 20.89 N ATOM 869 CA ASN A 98 68.887 68.599 0.843 1.00 27.24 C ATOM 870 C ASN A 98 67.741 67.754 0.311 1.00 25.29 C ATOM 871 O ASN A 98 67.926 66.571 0.011 1.00 28.48 O ATOM 872 CB ASN A 98 69.883 68.901 -0.284 1.00 23.52 C ATOM 873 CG ASN A 98 71.039 69.765 0.178 1.00 29.52 C ATOM 874 OD1 ASN A 98 70.952 70.994 0.167 1.00 26.61 O ATOM 875 ND2 ASN A 98 72.131 69.127 0.586 1.00 22.70 N ATOM 876 HD22 ASN A 98 72.159 68.087 0.578 1.00 0.00 H ATOM 877 HD21 ASN A 98 72.957 69.667 0.913 1.00 0.00 H ATOM 878 H ASN A 98 69.685 66.879 1.886 1.00 0.00 H ATOM 879 N PHE A 99 66.564 68.364 0.199 1.00 25.01 N ATOM 880 CA PHE A 99 65.421 67.730 -0.452 1.00 26.11 C ATOM 881 C PHE A 99 64.505 68.790 -1.053 1.00 35.06 C ATOM 882 O PHE A 99 63.483 68.477 -1.664 1.00 36.86 O ATOM 883 CB PHE A 99 64.643 66.846 0.529 1.00 26.90 C ATOM 884 CG PHE A 99 64.120 67.574 1.734 1.00 27.61 C ATOM 885 CD1 PHE A 99 64.867 67.632 2.897 1.00 30.36 C ATOM 886 CD2 PHE A 99 62.874 68.178 1.712 1.00 34.79 C ATOM 887 CE1 PHE A 99 64.389 68.292 4.010 1.00 34.61 C ATOM 888 CE2 PHE A 99 62.392 68.841 2.821 1.00 36.65 C ATOM 889 CZ PHE A 99 63.151 68.898 3.972 1.00 35.98 C ATOM 890 OXT PHE A 99 64.767 69.988 -0.946 1.00 34.18 O ATOM 891 H PHE A 99 66.455 69.323 0.587 1.00 0.00 H TER 892 PHE A 99 ATOM 893 N PRO B 1 64.393 72.424 0.217 1.00 45.31 N ATOM 894 CA PRO B 1 65.229 73.279 1.064 1.00 40.62 C ATOM 895 C PRO B 1 66.562 72.631 1.419 1.00 40.54 C ATOM 896 O PRO B 1 66.759 71.444 1.157 1.00 33.24 O ATOM 897 CB PRO B 1 64.369 73.472 2.315 1.00 35.91 C ATOM 898 CG PRO B 1 63.568 72.223 2.401 1.00 35.08 C ATOM 899 CD PRO B 1 63.290 71.809 0.978 1.00 45.75 C ATOM 900 HN2 PRO B 1 64.984 71.670 -0.188 1.00 0.00 H ATOM 901 HN1 PRO B 1 63.992 72.999 -0.551 1.00 0.00 H ATOM 902 N GLN B 2 67.465 73.409 2.010 1.00 32.34 N ATOM 903 CA GLN B 2 68.745 72.908 2.486 1.00 30.03 C ATOM 904 C GLN B 2 68.826 73.099 3.992 1.00 31.38 C ATOM 905 O GLN B 2 68.458 74.155 4.516 1.00 22.27 O ATOM 906 CB GLN B 2 69.916 73.620 1.805 1.00 27.50 C ATOM 907 CG GLN B 2 71.280 73.201 2.335 1.00 27.58 C ATOM 908 CD GLN B 2 72.423 73.803 1.546 1.00 30.67 C ATOM 909 OE1 GLN B 2 73.175 74.633 2.057 1.00 41.38 O ATOM 910 NE2 GLN B 2 72.561 73.385 0.294 1.00 31.25 N ATOM 911 HE22 GLN B 2 71.901 72.682 -0.095 1.00 0.00 H ATOM 912 HE21 GLN B 2 73.329 73.761 -0.298 1.00 0.00 H ATOM 913 H GLN B 2 67.247 74.418 2.137 1.00 0.00 H ATOM 914 N ILE B 3 69.314 72.074 4.683 1.00 23.98 N ATOM 915 CA ILE B 3 69.410 72.076 6.137 1.00 22.50 C ATOM 916 C ILE B 3 70.873 71.888 6.508 1.00 25.57 C ATOM 917 O ILE B 3 71.485 70.873 6.152 1.00 18.01 O ATOM 918 CB ILE B 3 68.535 70.981 6.767 1.00 25.70 C ATOM 919 CG1 ILE B 3 67.066 71.216 6.401 1.00 26.75 C ATOM 920 CG2 ILE B 3 68.714 70.957 8.284 1.00 25.66 C ATOM 921 CD1 ILE B 3 66.125 70.111 6.844 1.00 27.14 C ATOM 922 H ILE B 3 69.641 71.234 4.164 1.00 0.00 H ATOM 923 N THR B 4 71.432 72.869 7.210 1.00 16.76 N ATOM 924 CA THR B 4 72.769 72.732 7.759 1.00 15.17 C ATOM 925 C THR B 4 72.711 71.945 9.066 1.00 14.97 C ATOM 926 O THR B 4 71.642 71.712 9.636 1.00 18.27 O ATOM 927 CB THR B 4 73.404 74.103 7.982 1.00 21.66 C ATOM 928 OG1 THR B 4 72.631 74.845 8.935 1.00 25.33 O ATOM 929 CG2 THR B 4 73.468 74.880 6.675 1.00 21.37 C ATOM 930 HG1 THR B 4 73.047 75.732 9.076 1.00 0.00 H ATOM 931 H THR B 4 70.902 73.750 7.369 1.00 0.00 H ATOM 932 N LEU B 5 73.884 71.525 9.542 1.00 14.12 N ATOM 933 CA LEU B 5 73.967 70.619 10.681 1.00 14.44 C ATOM 934 C LEU B 5 74.629 71.263 11.895 1.00 15.65 C ATOM 935 O LEU B 5 75.166 70.553 12.751 1.00 15.00 O ATOM 936 CB LEU B 5 74.703 69.342 10.275 1.00 15.37 C ATOM 937 CG LEU B 5 74.048 68.616 9.092 1.00 18.43 C ATOM 938 CD1 LEU B 5 74.908 67.459 8.614 1.00 16.01 C ATOM 939 CD2 LEU B 5 72.649 68.122 9.456 1.00 19.85 C ATOM 940 H LEU B 5 74.761 71.852 9.089 1.00 0.00 H ATOM 941 N TRP B 6 74.594 72.595 11.995 1.00 15.99 N ATOM 942 CA TRP B 6 75.036 73.251 13.221 1.00 15.55 C ATOM 943 C TRP B 6 74.226 72.767 14.416 1.00 19.52 C ATOM 944 O TRP B 6 74.769 72.583 15.512 1.00 22.19 O ATOM 945 CB TRP B 6 74.919 74.769 13.083 1.00 20.15 C ATOM 946 CG TRP B 6 75.800 75.366 12.028 1.00 20.84 C ATOM 947 CD1 TRP B 6 75.401 75.981 10.875 1.00 24.50 C ATOM 948 CD2 TRP B 6 77.231 75.418 12.034 1.00 18.60 C ATOM 949 NE1 TRP B 6 76.495 76.410 10.165 1.00 18.65 N ATOM 950 CE2 TRP B 6 77.631 76.077 10.854 1.00 20.20 C ATOM 951 CE3 TRP B 6 78.214 74.971 12.923 1.00 21.51 C ATOM 952 CZ2 TRP B 6 78.970 76.297 10.540 1.00 19.87 C ATOM 953 CZ3 TRP B 6 79.543 75.191 12.609 1.00 22.18 C ATOM 954 CH2 TRP B 6 79.909 75.848 11.428 1.00 23.70 C ATOM 955 HE1 TRP B 6 76.466 76.907 9.252 1.00 0.00 H ATOM 956 H TRP B 6 74.251 73.166 11.196 1.00 0.00 H ATOM 957 N LYS B 7 72.926 72.562 14.224 1.00 16.84 N ATOM 958 CA LYS B 7 72.038 72.050 15.257 1.00 15.57 C ATOM 959 C LYS B 7 71.328 70.803 14.742 1.00 16.05 C ATOM 960 O LYS B 7 71.421 70.446 13.565 1.00 15.57 O ATOM 961 CB LYS B 7 71.022 73.119 15.686 1.00 20.09 C ATOM 962 CG LYS B 7 69.958 73.449 14.649 1.00 22.09 C ATOM 963 CD LYS B 7 69.174 74.686 15.065 1.00 24.69 C ATOM 964 CE LYS B 7 67.821 74.771 14.377 1.00 24.75 C ATOM 965 NZ LYS B 7 67.012 75.904 14.911 1.00 42.69 N ATOM 966 HZ1 LYS B 7 66.858 75.768 15.930 1.00 0.00 H ATOM 967 HZ2 LYS B 7 67.521 76.797 14.752 1.00 0.00 H ATOM 968 HZ3 LYS B 7 66.095 75.935 14.421 1.00 0.00 H ATOM 969 H LYS B 7 72.524 72.778 13.289 1.00 0.00 H ATOM 970 N ARG B 8 70.618 70.135 15.643 1.00 14.73 N ATOM 971 CA ARG B 8 69.933 68.903 15.283 1.00 15.79 C ATOM 972 C ARG B 8 68.922 69.178 14.171 1.00 15.02 C ATOM 973 O ARG B 8 68.142 70.134 14.275 1.00 15.99 O ATOM 974 CB ARG B 8 69.232 68.310 16.502 1.00 15.01 C ATOM 975 CG ARG B 8 70.187 67.841 17.585 1.00 19.82 C ATOM 976 CD ARG B 8 69.458 67.113 18.697 1.00 18.01 C ATOM 977 NE ARG B 8 70.383 66.368 19.546 1.00 17.69 N ATOM 978 CZ ARG B 8 70.016 65.627 20.587 1.00 23.69 C ATOM 979 NH1 ARG B 8 68.736 65.527 20.922 1.00 21.78 N ATOM 980 NH2 ARG B 8 70.933 64.987 21.296 1.00 20.99 N ATOM 981 HE ARG B 8 71.397 66.420 19.321 1.00 0.00 H ATOM 982 HH12 ARG B 8 68.456 64.946 21.738 1.00 0.00 H ATOM 983 HH11 ARG B 8 68.013 66.030 20.369 1.00 0.00 H ATOM 984 HH22 ARG B 8 70.649 64.407 22.111 1.00 0.00 H ATOM 985 HH21 ARG B 8 71.938 65.065 21.038 1.00 0.00 H ATOM 986 H ARG B 8 70.551 70.496 16.616 1.00 0.00 H ATOM 987 N PRO B 9 68.903 68.378 13.091 1.00 14.83 N ATOM 988 CA PRO B 9 67.936 68.625 11.995 1.00 17.98 C ATOM 989 C PRO B 9 66.523 68.180 12.355 1.00 14.36 C ATOM 990 O PRO B 9 66.002 67.161 11.885 1.00 14.96 O ATOM 991 CB PRO B 9 68.539 67.819 10.841 1.00 16.63 C ATOM 992 CG PRO B 9 69.237 66.699 11.504 1.00 15.96 C ATOM 993 CD PRO B 9 69.815 67.264 12.768 1.00 13.47 C ATOM 994 N LEU B 10 65.887 68.973 13.215 1.00 14.84 N ATOM 995 CA LEU B 10 64.510 68.744 13.627 1.00 16.73 C ATOM 996 C LEU B 10 63.554 69.444 12.673 1.00 18.96 C ATOM 997 O LEU B 10 63.773 70.595 12.282 1.00 15.89 O ATOM 998 CB LEU B 10 64.274 69.247 15.053 1.00 18.75 C ATOM 999 CG LEU B 10 65.063 68.520 16.142 1.00 16.77 C ATOM 1000 CD1 LEU B 10 64.963 69.260 17.466 1.00 19.08 C ATOM 1001 CD2 LEU B 10 64.573 67.086 16.291 1.00 17.32 C ATOM 1002 H LEU B 10 66.396 69.790 13.609 1.00 0.00 H ATOM 1003 N VAL B 11 62.488 68.735 12.303 1.00 17.61 N ATOM 1004 CA VAL B 11 61.452 69.266 11.430 1.00 21.12 C ATOM 1005 C VAL B 11 60.098 68.791 11.938 1.00 22.73 C ATOM 1006 O VAL B 11 59.996 67.835 12.710 1.00 20.08 O ATOM 1007 CB VAL B 11 61.649 68.834 9.959 1.00 20.08 C ATOM 1008 CG1 VAL B 11 62.991 69.326 9.430 1.00 20.73 C ATOM 1009 CG2 VAL B 11 61.542 67.316 9.817 1.00 19.43 C ATOM 1010 H VAL B 11 62.392 67.760 12.653 1.00 0.00 H ATOM 1011 N THR B 12 59.050 69.472 11.488 1.00 19.85 N ATOM 1012 CA THR B 12 57.693 69.089 11.849 1.00 18.19 C ATOM 1013 C THR B 12 57.197 67.994 10.916 1.00 17.54 C ATOM 1014 O THR B 12 57.401 68.053 9.700 1.00 19.62 O ATOM 1015 CB THR B 12 56.751 70.293 11.781 1.00 21.37 C ATOM 1016 OG1 THR B 12 57.281 71.362 12.571 1.00 20.01 O ATOM 1017 CG2 THR B 12 55.366 69.925 12.306 1.00 19.82 C ATOM 1018 HG1 THR B 12 57.368 71.064 13.511 1.00 0.00 H ATOM 1019 H THR B 12 59.202 70.293 10.867 1.00 0.00 H ATOM 1020 N ILE B 13 56.552 66.986 11.496 1.00 17.88 N ATOM 1021 CA ILE B 13 55.953 65.904 10.732 1.00 18.27 C ATOM 1022 C ILE B 13 54.481 65.813 11.107 1.00 23.43 C ATOM 1023 O ILE B 13 54.034 66.362 12.117 1.00 21.22 O ATOM 1024 CB ILE B 13 56.665 64.552 10.964 1.00 16.31 C ATOM 1025 CG1 ILE B 13 56.428 64.048 12.394 1.00 20.18 C ATOM 1026 CG2 ILE B 13 58.157 64.692 10.673 1.00 22.90 C ATOM 1027 CD1 ILE B 13 56.958 62.655 12.655 1.00 21.23 C ATOM 1028 H ILE B 13 56.473 66.971 12.533 1.00 0.00 H ATOM 1029 N LYS B 14 53.726 65.104 10.271 1.00 18.23 N ATOM 1030 CA LYS B 14 52.306 64.870 10.503 1.00 25.16 C ATOM 1031 C LYS B 14 52.028 63.384 10.339 1.00 26.93 C ATOM 1032 O LYS B 14 52.209 62.834 9.248 1.00 27.05 O ATOM 1033 CB LYS B 14 51.448 65.696 9.541 1.00 30.19 C ATOM 1034 CG LYS B 14 49.954 65.453 9.666 1.00 38.34 C ATOM 1035 CD LYS B 14 49.167 66.576 9.007 1.00 42.66 C ATOM 1036 CE LYS B 14 48.190 66.053 7.970 1.00 52.10 C ATOM 1037 NZ LYS B 14 47.704 67.146 7.082 1.00 60.39 N ATOM 1038 HZ1 LYS B 14 47.223 67.868 7.655 1.00 0.00 H ATOM 1039 HZ2 LYS B 14 48.512 67.575 6.588 1.00 0.00 H ATOM 1040 HZ3 LYS B 14 47.038 66.755 6.385 1.00 0.00 H ATOM 1041 H LYS B 14 54.166 64.701 9.419 1.00 0.00 H ATOM 1042 N ILE B 15 51.601 62.739 11.423 1.00 29.26 N ATOM 1043 CA ILE B 15 51.301 61.312 11.430 1.00 29.00 C ATOM 1044 C ILE B 15 49.995 61.099 12.180 1.00 43.70 C ATOM 1045 O ILE B 15 49.744 61.742 13.205 1.00 36.84 O ATOM 1046 CB ILE B 15 52.437 60.488 12.076 1.00 33.68 C ATOM 1047 CG1 ILE B 15 52.073 58.996 12.078 1.00 35.11 C ATOM 1048 CG2 ILE B 15 52.721 60.993 13.490 1.00 29.32 C ATOM 1049 CD1 ILE B 15 53.147 58.087 12.636 1.00 33.37 C ATOM 1050 H ILE B 15 51.476 63.277 12.304 1.00 0.00 H ATOM 1051 N GLY B 16 49.168 60.186 11.671 1.00 49.94 N ATOM 1052 CA GLY B 16 47.898 59.867 12.294 1.00 44.97 C ATOM 1053 C GLY B 16 47.139 61.092 12.758 1.00 39.94 C ATOM 1054 O GLY B 16 46.523 61.082 13.828 1.00 56.07 O ATOM 1055 H GLY B 16 49.442 59.687 10.800 1.00 0.00 H ATOM 1056 N GLY B 17 47.182 62.156 11.963 1.00 38.15 N ATOM 1057 CA GLY B 17 46.524 63.398 12.338 1.00 39.82 C ATOM 1058 C GLY B 17 47.127 64.069 13.553 1.00 43.41 C ATOM 1059 O GLY B 17 46.395 64.655 14.361 1.00 41.85 O ATOM 1060 H GLY B 17 47.694 62.100 11.059 1.00 0.00 H ATOM 1061 N GLN B 18 48.449 63.999 13.704 1.00 37.60 N ATOM 1062 CA GLN B 18 49.143 64.648 14.809 1.00 30.95 C ATOM 1063 C GLN B 18 50.430 65.279 14.305 1.00 28.61 C ATOM 1064 O GLN B 18 51.130 64.696 13.473 1.00 23.72 O ATOM 1065 CB GLN B 18 49.470 63.658 15.933 1.00 38.89 C ATOM 1066 CG GLN B 18 48.298 63.325 16.833 1.00 46.76 C ATOM 1067 CD GLN B 18 48.736 62.689 18.136 1.00 45.98 C ATOM 1068 OE1 GLN B 18 49.440 61.678 18.142 1.00 44.89 O ATOM 1069 NE2 GLN B 18 48.332 63.288 19.251 1.00 49.10 N ATOM 1070 HE22 GLN B 18 47.738 64.140 19.198 1.00 0.00 H ATOM 1071 HE21 GLN B 18 48.610 62.905 20.177 1.00 0.00 H ATOM 1072 H GLN B 18 49.005 63.462 13.009 1.00 0.00 H ATOM 1073 N LEU B 19 50.742 66.465 14.823 1.00 25.75 N ATOM 1074 CA LEU B 19 51.965 67.176 14.478 1.00 26.87 C ATOM 1075 C LEU B 19 53.020 66.922 15.546 1.00 29.91 C ATOM 1076 O LEU B 19 52.746 67.056 16.744 1.00 24.43 O ATOM 1077 CB LEU B 19 51.712 68.678 14.335 1.00 30.11 C ATOM 1078 CG LEU B 19 50.748 69.124 13.231 1.00 27.44 C ATOM 1079 CD1 LEU B 19 50.741 70.640 13.131 1.00 24.92 C ATOM 1080 CD2 LEU B 19 51.105 68.504 11.885 1.00 30.25 C ATOM 1081 H LEU B 19 50.086 66.901 15.502 1.00 0.00 H ATOM 1082 N LYS B 20 54.223 66.561 15.106 1.00 19.09 N ATOM 1083 CA LYS B 20 55.324 66.241 15.999 1.00 21.56 C ATOM 1084 C LYS B 20 56.613 66.787 15.406 1.00 17.51 C ATOM 1085 O LYS B 20 56.682 67.125 14.222 1.00 19.13 O ATOM 1086 CB LYS B 20 55.451 64.725 16.219 1.00 22.31 C ATOM 1087 CG LYS B 20 54.220 64.064 16.825 1.00 29.30 C ATOM 1088 CD LYS B 20 54.271 62.556 16.644 1.00 24.31 C ATOM 1089 CE LYS B 20 53.198 61.851 17.452 1.00 38.69 C ATOM 1090 NZ LYS B 20 53.461 61.920 18.916 1.00 30.24 N ATOM 1091 HZ1 LYS B 20 54.374 61.467 19.125 1.00 0.00 H ATOM 1092 HZ2 LYS B 20 53.490 62.916 19.215 1.00 0.00 H ATOM 1093 HZ3 LYS B 20 52.702 61.425 19.427 1.00 0.00 H ATOM 1094 H LYS B 20 54.382 66.506 14.080 1.00 0.00 H ATOM 1095 N GLU B 21 57.637 66.878 16.249 1.00 17.37 N ATOM 1096 CA GLU B 21 58.982 67.230 15.817 1.00 21.89 C ATOM 1097 C GLU B 21 59.810 65.957 15.728 1.00 22.39 C ATOM 1098 O GLU B 21 59.771 65.124 16.640 1.00 15.74 O ATOM 1099 CB GLU B 21 59.638 68.217 16.783 1.00 19.50 C ATOM 1100 CG GLU B 21 58.930 69.558 16.898 1.00 24.91 C ATOM 1101 CD GLU B 21 58.955 70.347 15.604 1.00 28.17 C ATOM 1102 OE1 GLU B 21 57.912 70.399 14.919 1.00 33.33 O ATOM 1103 OE2 GLU B 21 60.020 70.908 15.267 1.00 31.67 O ATOM 1104 H GLU B 21 57.470 66.690 17.258 1.00 0.00 H ATOM 1105 N ALA B 22 60.550 65.804 14.632 1.00 17.55 N ATOM 1106 CA ALA B 22 61.309 64.586 14.400 1.00 14.58 C ATOM 1107 C ALA B 22 62.660 64.919 13.786 1.00 14.72 C ATOM 1108 O ALA B 22 62.841 65.948 13.130 1.00 15.09 O ATOM 1109 CB ALA B 22 60.549 63.610 13.492 1.00 15.89 C ATOM 1110 H ALA B 22 60.586 66.570 13.929 1.00 0.00 H ATOM 1111 N LEU B 23 63.602 64.008 14.004 1.00 13.51 N ATOM 1112 CA LEU B 23 64.983 64.159 13.571 1.00 14.00 C ATOM 1113 C LEU B 23 65.176 63.492 12.215 1.00 16.48 C ATOM 1114 O LEU B 23 64.852 62.311 12.048 1.00 15.06 O ATOM 1115 CB LEU B 23 65.905 63.525 14.615 1.00 12.91 C ATOM 1116 CG LEU B 23 67.412 63.744 14.588 1.00 15.58 C ATOM 1117 CD1 LEU B 23 67.756 65.177 14.939 1.00 16.78 C ATOM 1118 CD2 LEU B 23 68.060 62.781 15.573 1.00 19.38 C ATOM 1119 H LEU B 23 63.338 63.140 14.512 1.00 0.00 H ATOM 1120 N LEU B 24 65.698 64.248 11.249 1.00 14.91 N ATOM 1121 CA LEU B 24 66.086 63.686 9.957 1.00 11.36 C ATOM 1122 C LEU B 24 67.420 62.972 10.136 1.00 14.60 C ATOM 1123 O LEU B 24 68.467 63.619 10.242 1.00 14.73 O ATOM 1124 CB LEU B 24 66.185 64.781 8.897 1.00 17.72 C ATOM 1125 CG LEU B 24 64.957 65.672 8.704 1.00 20.98 C ATOM 1126 CD1 LEU B 24 65.261 66.762 7.689 1.00 25.05 C ATOM 1127 CD2 LEU B 24 63.757 64.850 8.270 1.00 21.13 C ATOM 1128 H LEU B 24 65.833 65.265 11.419 1.00 0.00 H ATOM 1129 N ASP B 25 67.392 61.641 10.161 1.00 14.29 N ATOM 1130 CA ASP B 25 68.513 60.836 10.646 1.00 10.07 C ATOM 1131 C ASP B 25 68.987 59.887 9.548 1.00 19.22 C ATOM 1132 O ASP B 25 68.388 58.829 9.329 1.00 12.49 O ATOM 1133 CB ASP B 25 68.100 60.069 11.897 1.00 12.49 C ATOM 1134 CG ASP B 25 69.272 59.439 12.609 1.00 14.11 C ATOM 1135 OD1 ASP B 25 70.401 59.507 12.077 1.00 16.43 O ATOM 1136 OD2 ASP B 25 69.061 58.885 13.708 1.00 14.06 O ATOM 1137 H ASP B 25 66.538 61.154 9.822 1.00 0.00 H ATOM 1138 N THR B 26 70.081 60.256 8.876 1.00 13.71 N ATOM 1139 CA THR B 26 70.666 59.391 7.857 1.00 12.59 C ATOM 1140 C THR B 26 71.290 58.134 8.449 1.00 14.98 C ATOM 1141 O THR B 26 71.564 57.185 7.706 1.00 16.88 O ATOM 1142 CB THR B 26 71.726 60.151 7.059 1.00 14.68 C ATOM 1143 OG1 THR B 26 72.769 60.589 7.939 1.00 16.97 O ATOM 1144 CG2 THR B 26 71.117 61.358 6.359 1.00 15.36 C ATOM 1145 HG1 THR B 26 73.185 59.802 8.373 1.00 0.00 H ATOM 1146 H THR B 26 70.523 61.175 9.082 1.00 0.00 H ATOM 1147 N GLY B 27 71.530 58.107 9.760 1.00 12.12 N ATOM 1148 CA GLY B 27 72.071 56.934 10.413 1.00 12.49 C ATOM 1149 C GLY B 27 71.049 55.916 10.849 1.00 12.97 C ATOM 1150 O GLY B 27 71.425 54.826 11.288 1.00 13.49 O ATOM 1151 H GLY B 27 71.323 58.952 10.329 1.00 0.00 H ATOM 1152 N ALA B 28 69.765 56.244 10.740 1.00 15.05 N ATOM 1153 CA ALA B 28 68.683 55.360 11.149 1.00 14.08 C ATOM 1154 C ALA B 28 68.122 54.657 9.919 1.00 14.03 C ATOM 1155 O ALA B 28 67.631 55.313 8.996 1.00 13.84 O ATOM 1156 CB ALA B 28 67.587 56.149 11.865 1.00 13.01 C ATOM 1157 H ALA B 28 69.523 57.175 10.344 1.00 0.00 H ATOM 1158 N ASP B 29 68.205 53.325 9.903 1.00 17.47 N ATOM 1159 CA ASP B 29 67.650 52.564 8.787 1.00 17.05 C ATOM 1160 C ASP B 29 66.154 52.813 8.644 1.00 18.09 C ATOM 1161 O ASP B 29 65.651 53.033 7.535 1.00 15.68 O ATOM 1162 CB ASP B 29 67.921 51.071 8.975 1.00 22.88 C ATOM 1163 CG ASP B 29 69.393 50.728 8.891 1.00 22.11 C ATOM 1164 OD1 ASP B 29 70.153 51.498 8.268 1.00 21.17 O ATOM 1165 OD2 ASP B 29 69.788 49.680 9.442 1.00 22.29 O ATOM 1166 H ASP B 29 68.668 52.826 10.690 1.00 0.00 H ATOM 1167 N ASP B 30 65.425 52.786 9.760 1.00 14.24 N ATOM 1168 CA ASP B 30 63.972 52.861 9.742 1.00 15.00 C ATOM 1169 C ASP B 30 63.481 53.914 10.724 1.00 13.97 C ATOM 1170 O ASP B 30 64.098 54.160 11.764 1.00 18.38 O ATOM 1171 CB ASP B 30 63.345 51.501 10.079 1.00 17.72 C ATOM 1172 CG ASP B 30 63.481 50.503 8.947 1.00 24.05 C ATOM 1173 OD1 ASP B 30 63.001 50.800 7.832 1.00 19.52 O ATOM 1174 OD2 ASP B 30 64.076 49.429 9.170 1.00 22.73 O ATOM 1175 H ASP B 30 65.912 52.709 10.676 1.00 0.00 H ATOM 1176 N THR B 31 62.354 54.528 10.373 1.00 12.36 N ATOM 1177 CA THR B 31 61.733 55.550 11.205 1.00 13.52 C ATOM 1178 C THR B 31 61.255 54.945 12.521 1.00 15.36 C ATOM 1179 O THR B 31 60.619 53.885 12.536 1.00 17.36 O ATOM 1180 CB THR B 31 60.560 56.181 10.447 1.00 12.62 C ATOM 1181 OG1 THR B 31 61.047 56.833 9.268 1.00 15.43 O ATOM 1182 CG2 THR B 31 59.798 57.192 11.301 1.00 14.09 C ATOM 1183 HG1 THR B 31 61.497 56.169 8.687 1.00 0.00 H ATOM 1184 H THR B 31 61.901 54.269 9.473 1.00 0.00 H ATOM 1185 N VAL B 32 61.564 55.616 13.630 1.00 15.60 N ATOM 1186 CA VAL B 32 61.085 55.219 14.949 1.00 13.04 C ATOM 1187 C VAL B 32 60.552 56.457 15.655 1.00 18.44 C ATOM 1188 O VAL B 32 61.242 57.480 15.733 1.00 14.91 O ATOM 1189 CB VAL B 32 62.185 54.534 15.787 1.00 16.39 C ATOM 1190 CG1 VAL B 32 63.393 55.449 15.989 1.00 21.53 C ATOM 1191 CG2 VAL B 32 61.624 54.063 17.129 1.00 16.43 C ATOM 1192 H VAL B 32 62.171 56.457 13.552 1.00 0.00 H ATOM 1193 N LEU B 33 59.324 56.369 16.159 1.00 17.75 N ATOM 1194 CA LEU B 33 58.666 57.487 16.817 1.00 15.12 C ATOM 1195 C LEU B 33 58.425 57.174 18.288 1.00 19.20 C ATOM 1196 O LEU B 33 58.283 56.013 18.682 1.00 16.33 O ATOM 1197 CB LEU B 33 57.334 57.816 16.138 1.00 18.03 C ATOM 1198 CG LEU B 33 57.382 58.179 14.651 1.00 19.81 C ATOM 1199 CD1 LEU B 33 55.988 58.532 14.156 1.00 26.92 C ATOM 1200 CD2 LEU B 33 58.345 59.327 14.386 1.00 17.43 C ATOM 1201 H LEU B 33 58.815 55.466 16.079 1.00 0.00 H ATOM 1202 N GLU B 34 58.379 58.230 19.098 1.00 18.23 N ATOM 1203 CA GLU B 34 58.065 58.085 20.510 1.00 18.54 C ATOM 1204 C GLU B 34 56.725 57.374 20.683 1.00 23.56 C ATOM 1205 O GLU B 34 55.885 57.339 19.778 1.00 19.86 O ATOM 1206 CB GLU B 34 58.036 59.453 21.192 1.00 24.58 C ATOM 1207 CG GLU B 34 59.414 60.048 21.428 1.00 29.02 C ATOM 1208 CD GLU B 34 59.359 61.527 21.758 1.00 35.38 C ATOM 1209 OE1 GLU B 34 60.058 62.319 21.088 1.00 34.25 O ATOM 1210 OE2 GLU B 34 58.603 61.900 22.680 1.00 42.30 O ATOM 1211 H GLU B 34 58.571 59.177 18.713 1.00 0.00 H ATOM 1212 N GLU B 35 56.535 56.797 21.868 1.00 21.92 N ATOM 1213 CA GLU B 35 55.339 56.012 22.145 1.00 27.66 C ATOM 1214 C GLU B 35 54.080 56.784 21.775 1.00 24.13 C ATOM 1215 O GLU B 35 53.907 57.943 22.162 1.00 28.78 O ATOM 1216 CB GLU B 35 55.303 55.622 23.625 1.00 29.34 C ATOM 1217 CG GLU B 35 54.043 54.879 24.046 1.00 32.74 C ATOM 1218 CD GLU B 35 53.780 53.649 23.200 1.00 32.65 C ATOM 1219 OE1 GLU B 35 54.727 52.862 22.985 1.00 28.63 O ATOM 1220 OE2 GLU B 35 52.630 53.471 22.745 1.00 36.09 O ATOM 1221 H GLU B 35 57.255 56.909 22.611 1.00 0.00 H ATOM 1222 N MET B 36 53.205 56.132 21.013 1.00 19.45 N ATOM 1223 CA MET B 36 51.934 56.719 20.614 1.00 33.96 C ATOM 1224 C MET B 36 50.974 55.586 20.285 1.00 29.72 C ATOM 1225 O MET B 36 51.396 54.491 19.903 1.00 26.12 O ATOM 1226 CB MET B 36 52.095 57.663 19.415 1.00 27.80 C ATOM 1227 CG MET B 36 52.355 56.962 18.092 1.00 34.74 C ATOM 1228 SD MET B 36 52.720 58.115 16.752 1.00 31.26 S ATOM 1229 CE MET B 36 51.218 59.096 16.718 1.00 37.34 C ATOM 1230 H MET B 36 53.437 55.171 20.692 1.00 0.00 H ATOM 1231 N ASN B 37 49.679 55.864 20.430 1.00 35.79 N ATOM 1232 CA ASN B 37 48.644 54.837 20.313 1.00 40.97 C ATOM 1233 C ASN B 37 48.096 54.831 18.888 1.00 38.04 C ATOM 1234 O ASN B 37 47.000 55.316 18.608 1.00 47.38 O ATOM 1235 CB ASN B 37 47.541 55.078 21.341 1.00 35.90 C ATOM 1236 H ASN B 37 49.395 56.844 20.633 1.00 0.00 H ATOM 1237 N LEU B 38 48.879 54.256 17.973 1.00 34.49 N ATOM 1238 CA LEU B 38 48.399 54.062 16.610 1.00 32.22 C ATOM 1239 C LEU B 38 47.437 52.874 16.559 1.00 44.99 C ATOM 1240 O LEU B 38 47.632 51.889 17.275 1.00 37.64 O ATOM 1241 CB LEU B 38 49.564 53.811 15.653 1.00 33.68 C ATOM 1242 CG LEU B 38 50.343 55.006 15.100 1.00 40.69 C ATOM 1243 CD1 LEU B 38 51.514 54.507 14.267 1.00 35.82 C ATOM 1244 CD2 LEU B 38 49.449 55.912 14.266 1.00 40.28 C ATOM 1245 H LEU B 38 49.837 53.945 18.233 1.00 0.00 H ATOM 1246 N PRO B 39 46.396 52.935 15.733 1.00 40.79 N ATOM 1247 CA PRO B 39 45.539 51.764 15.532 1.00 43.02 C ATOM 1248 C PRO B 39 46.125 50.829 14.481 1.00 33.73 C ATOM 1249 O PRO B 39 47.085 51.151 13.781 1.00 37.54 O ATOM 1250 CB PRO B 39 44.216 52.371 15.059 1.00 47.67 C ATOM 1251 CG PRO B 39 44.631 53.604 14.328 1.00 47.50 C ATOM 1252 CD PRO B 39 45.872 54.120 15.027 1.00 48.53 C ATOM 1253 N GLY B 40 45.522 49.651 14.383 1.00 41.43 N ATOM 1254 CA GLY B 40 45.914 48.663 13.401 1.00 39.44 C ATOM 1255 C GLY B 40 46.872 47.631 13.971 1.00 33.69 C ATOM 1256 O GLY B 40 47.323 47.705 15.116 1.00 38.17 O ATOM 1257 H GLY B 40 44.741 49.430 15.034 1.00 0.00 H ATOM 1258 N ARG B 41 47.184 46.649 13.133 1.00 28.77 N ATOM 1259 CA ARG B 41 48.049 45.557 13.541 1.00 31.99 C ATOM 1260 C ARG B 41 49.514 45.980 13.490 1.00 31.53 C ATOM 1261 O ARG B 41 49.884 46.979 12.866 1.00 30.46 O ATOM 1262 CB ARG B 41 47.824 44.336 12.651 1.00 30.02 C ATOM 1263 CG ARG B 41 46.424 43.742 12.763 1.00 37.37 C ATOM 1264 CD ARG B 41 46.333 42.389 12.080 1.00 44.57 C ATOM 1265 NE ARG B 41 47.393 41.491 12.527 1.00 48.58 N ATOM 1266 CZ ARG B 41 47.707 40.344 11.935 1.00 41.40 C ATOM 1267 NH1 ARG B 41 48.692 39.604 12.421 1.00 40.99 N ATOM 1268 NH2 ARG B 41 47.046 39.938 10.858 1.00 47.17 N ATOM 1269 HE ARG B 41 47.940 41.768 13.367 1.00 0.00 H ATOM 1270 HH12 ARG B 41 48.942 38.705 11.962 1.00 0.00 H ATOM 1271 HH11 ARG B 41 49.215 39.922 13.262 1.00 0.00 H ATOM 1272 HH22 ARG B 41 47.299 39.039 10.401 1.00 0.00 H ATOM 1273 HH21 ARG B 41 46.275 40.519 10.471 1.00 0.00 H ATOM 1274 H ARG B 41 46.801 46.663 12.166 1.00 0.00 H ATOM 1275 N TRP B 42 50.354 45.195 14.160 1.00 26.59 N ATOM 1276 CA TRP B 42 51.778 45.485 14.224 1.00 27.33 C ATOM 1277 C TRP B 42 52.531 44.200 14.522 1.00 28.78 C ATOM 1278 O TRP B 42 51.949 43.201 14.955 1.00 22.14 O ATOM 1279 CB TRP B 42 52.086 46.546 15.285 1.00 20.71 C ATOM 1280 CG TRP B 42 51.533 46.218 16.642 1.00 27.76 C ATOM 1281 CD1 TRP B 42 50.270 46.465 17.093 1.00 25.80 C ATOM 1282 CD2 TRP B 42 52.229 45.587 17.725 1.00 28.85 C ATOM 1283 NE1 TRP B 42 50.134 46.027 18.388 1.00 28.66 N ATOM 1284 CE2 TRP B 42 51.322 45.482 18.799 1.00 30.10 C ATOM 1285 CE3 TRP B 42 53.529 45.100 17.891 1.00 29.31 C ATOM 1286 CZ2 TRP B 42 51.674 44.915 20.022 1.00 27.41 C ATOM 1287 CZ3 TRP B 42 53.876 44.534 19.106 1.00 27.35 C ATOM 1288 CH2 TRP B 42 52.952 44.447 20.155 1.00 29.30 C ATOM 1289 HE1 TRP B 42 49.270 46.098 18.963 1.00 0.00 H ATOM 1290 H TRP B 42 49.984 44.355 14.649 1.00 0.00 H ATOM 1291 N LYS B 43 53.840 44.241 14.276 1.00 26.58 N ATOM 1292 CA LYS B 43 54.731 43.136 14.571 1.00 25.81 C ATOM 1293 C LYS B 43 55.852 43.608 15.490 1.00 28.89 C ATOM 1294 O LYS B 43 56.406 44.692 15.274 1.00 21.44 O ATOM 1295 CB LYS B 43 55.335 42.555 13.283 1.00 30.38 C ATOM 1296 H LYS B 43 54.240 45.103 13.854 1.00 0.00 H ATOM 1297 N PRO B 44 56.205 42.839 16.519 1.00 25.83 N ATOM 1298 CA PRO B 44 57.284 43.273 17.412 1.00 24.04 C ATOM 1299 C PRO B 44 58.633 43.257 16.713 1.00 22.50 C ATOM 1300 O PRO B 44 58.873 42.493 15.775 1.00 16.92 O ATOM 1301 CB PRO B 44 57.236 42.257 18.559 1.00 26.40 C ATOM 1302 CG PRO B 44 56.571 41.062 17.985 1.00 27.68 C ATOM 1303 CD PRO B 44 55.599 41.572 16.966 1.00 22.57 C ATOM 1304 N LYS B 45 59.522 44.124 17.190 1.00 22.13 N ATOM 1305 CA LYS B 45 60.850 44.266 16.617 1.00 21.14 C ATOM 1306 C LYS B 45 61.774 44.827 17.686 1.00 17.94 C ATOM 1307 O LYS B 45 61.331 45.475 18.638 1.00 20.33 O ATOM 1308 CB LYS B 45 60.827 45.178 15.381 1.00 21.31 C ATOM 1309 CG LYS B 45 62.117 45.215 14.572 1.00 22.73 C ATOM 1310 CD LYS B 45 61.894 45.946 13.251 1.00 30.15 C ATOM 1311 CE LYS B 45 63.187 46.465 12.644 1.00 31.86 C ATOM 1312 NZ LYS B 45 64.054 45.383 12.110 1.00 40.15 N ATOM 1313 HZ1 LYS B 45 64.306 44.730 12.880 1.00 0.00 H ATOM 1314 HZ2 LYS B 45 63.542 44.865 11.368 1.00 0.00 H ATOM 1315 HZ3 LYS B 45 64.919 45.799 11.710 1.00 0.00 H ATOM 1316 H LYS B 45 59.258 44.720 18.000 1.00 0.00 H ATOM 1317 N MET B 46 63.066 44.555 17.527 1.00 17.75 N ATOM 1318 CA MET B 46 64.097 45.128 18.380 1.00 19.62 C ATOM 1319 C MET B 46 65.148 45.773 17.490 1.00 26.11 C ATOM 1320 O MET B 46 65.630 45.152 16.537 1.00 23.19 O ATOM 1321 CB MET B 46 64.723 44.068 19.295 1.00 21.29 C ATOM 1322 CG MET B 46 64.042 43.974 20.656 1.00 22.10 C ATOM 1323 SD MET B 46 64.500 42.521 21.617 1.00 47.02 S ATOM 1324 CE MET B 46 65.898 43.141 22.553 1.00 24.31 C ATOM 1325 H MET B 46 63.351 43.908 16.764 1.00 0.00 H ATOM 1326 N ILE B 47 65.477 47.027 17.788 1.00 19.77 N ATOM 1327 CA ILE B 47 66.432 47.807 17.014 1.00 21.32 C ATOM 1328 C ILE B 47 67.573 48.208 17.935 1.00 18.25 C ATOM 1329 O ILE B 47 67.358 48.470 19.124 1.00 15.96 O ATOM 1330 CB ILE B 47 65.767 49.046 16.377 1.00 23.12 C ATOM 1331 CG1 ILE B 47 65.149 49.945 17.455 1.00 20.05 C ATOM 1332 CG2 ILE B 47 64.707 48.606 15.376 1.00 21.83 C ATOM 1333 CD1 ILE B 47 64.668 51.288 16.936 1.00 19.74 C ATOM 1334 H ILE B 47 65.030 47.472 18.615 1.00 0.00 H ATOM 1335 N GLY B 48 68.784 48.248 17.389 1.00 20.77 N ATOM 1336 CA GLY B 48 69.980 48.439 18.182 1.00 19.74 C ATOM 1337 C GLY B 48 70.701 49.725 17.827 1.00 17.17 C ATOM 1338 O GLY B 48 70.674 50.179 16.682 1.00 15.00 O ATOM 1339 H GLY B 48 68.875 48.139 16.359 1.00 0.00 H ATOM 1340 N GLY B 49 71.340 50.307 18.826 1.00 15.52 N ATOM 1341 CA GLY B 49 72.174 51.468 18.641 1.00 16.17 C ATOM 1342 C GLY B 49 73.156 51.567 19.784 1.00 15.61 C ATOM 1343 O GLY B 49 73.463 50.577 20.449 1.00 13.15 O ATOM 1344 H GLY B 49 71.237 49.912 19.783 1.00 0.00 H ATOM 1345 N ILE B 50 73.652 52.782 20.021 1.00 16.62 N ATOM 1346 CA ILE B 50 74.524 53.004 21.167 1.00 17.36 C ATOM 1347 C ILE B 50 73.743 52.725 22.443 1.00 18.10 C ATOM 1348 O ILE B 50 72.652 53.269 22.657 1.00 17.92 O ATOM 1349 CB ILE B 50 75.098 54.430 21.137 1.00 16.05 C ATOM 1350 CG1 ILE B 50 76.189 54.524 20.065 1.00 16.44 C ATOM 1351 CG2 ILE B 50 75.664 54.826 22.505 1.00 15.07 C ATOM 1352 CD1 ILE B 50 76.682 55.931 19.787 1.00 15.40 C ATOM 1353 H ILE B 50 73.416 53.572 19.387 1.00 0.00 H ATOM 1354 N GLY B 51 74.298 51.863 23.295 1.00 18.25 N ATOM 1355 CA GLY B 51 73.682 51.491 24.549 1.00 17.28 C ATOM 1356 C GLY B 51 72.960 50.159 24.530 1.00 25.91 C ATOM 1357 O GLY B 51 72.706 49.594 25.602 1.00 22.76 O ATOM 1358 H GLY B 51 75.215 51.439 23.047 1.00 0.00 H ATOM 1359 N GLY B 52 72.625 49.643 23.349 1.00 19.88 N ATOM 1360 CA GLY B 52 71.917 48.382 23.241 1.00 19.60 C ATOM 1361 C GLY B 52 70.657 48.489 22.407 1.00 20.44 C ATOM 1362 O GLY B 52 70.567 49.332 21.508 1.00 19.70 O ATOM 1363 H GLY B 52 72.878 50.158 22.481 1.00 0.00 H ATOM 1364 N PHE B 53 69.673 47.645 22.707 1.00 21.95 N ATOM 1365 CA PHE B 53 68.453 47.532 21.923 1.00 18.61 C ATOM 1366 C PHE B 53 67.248 48.005 22.726 1.00 22.74 C ATOM 1367 O PHE B 53 67.255 47.988 23.960 1.00 14.18 O ATOM 1368 CB PHE B 53 68.223 46.083 21.478 1.00 23.11 C ATOM 1369 CG PHE B 53 69.198 45.604 20.443 1.00 21.87 C ATOM 1370 CD1 PHE B 53 70.526 45.391 20.768 1.00 24.09 C ATOM 1371 CD2 PHE B 53 68.783 45.357 19.145 1.00 23.52 C ATOM 1372 CE1 PHE B 53 71.424 44.948 19.816 1.00 19.36 C ATOM 1373 CE2 PHE B 53 69.676 44.913 18.189 1.00 22.34 C ATOM 1374 CZ PHE B 53 70.998 44.708 18.526 1.00 17.82 C ATOM 1375 H PHE B 53 69.782 47.036 23.543 1.00 0.00 H ATOM 1376 N ILE B 54 66.215 48.440 22.005 1.00 18.24 N ATOM 1377 CA ILE B 54 64.901 48.699 22.578 1.00 20.94 C ATOM 1378 C ILE B 54 63.872 47.905 21.785 1.00 24.50 C ATOM 1379 O ILE B 54 64.072 47.594 20.607 1.00 16.32 O ATOM 1380 CB ILE B 54 64.533 50.203 22.581 1.00 15.97 C ATOM 1381 CG1 ILE B 54 64.547 50.779 21.159 1.00 15.86 C ATOM 1382 CG2 ILE B 54 65.473 50.978 23.496 1.00 19.01 C ATOM 1383 CD1 ILE B 54 63.858 52.129 21.046 1.00 20.34 C ATOM 1384 H ILE B 54 66.353 48.602 20.987 1.00 0.00 H ATOM 1385 N LYS B 55 62.762 47.581 22.443 1.00 20.64 N ATOM 1386 CA LYS B 55 61.657 46.879 21.805 1.00 19.01 C ATOM 1387 C LYS B 55 60.683 47.898 21.230 1.00 17.06 C ATOM 1388 O LYS B 55 60.326 48.871 21.902 1.00 16.17 O ATOM 1389 CB LYS B 55 60.951 45.967 22.811 1.00 20.03 C ATOM 1390 CG LYS B 55 61.870 44.935 23.446 1.00 34.06 C ATOM 1391 CD LYS B 55 61.230 44.290 24.664 1.00 45.90 C ATOM 1392 CE LYS B 55 62.231 43.437 25.424 1.00 42.39 C ATOM 1393 NZ LYS B 55 61.672 42.921 26.703 1.00 44.07 N ATOM 1394 HZ1 LYS B 55 61.402 43.721 27.310 1.00 0.00 H ATOM 1395 HZ2 LYS B 55 60.835 42.337 26.504 1.00 0.00 H ATOM 1396 HZ3 LYS B 55 62.390 42.345 27.186 1.00 0.00 H ATOM 1397 H LYS B 55 62.681 47.838 23.447 1.00 0.00 H ATOM 1398 N VAL B 56 60.260 47.679 19.982 1.00 19.20 N ATOM 1399 CA VAL B 56 59.375 48.604 19.288 1.00 15.84 C ATOM 1400 C VAL B 56 58.285 47.820 18.570 1.00 15.84 C ATOM 1401 O VAL B 56 58.391 46.610 18.356 1.00 16.52 O ATOM 1402 CB VAL B 56 60.134 49.500 18.278 1.00 18.96 C ATOM 1403 CG1 VAL B 56 61.211 50.310 18.986 1.00 16.19 C ATOM 1404 CG2 VAL B 56 60.746 48.664 17.162 1.00 16.65 C ATOM 1405 H VAL B 56 60.573 46.818 19.489 1.00 0.00 H ATOM 1406 N ARG B 57 57.227 48.532 18.199 1.00 16.34 N ATOM 1407 CA ARG B 57 56.131 47.967 17.426 1.00 17.99 C ATOM 1408 C ARG B 57 56.255 48.434 15.983 1.00 18.11 C ATOM 1409 O ARG B 57 56.363 49.637 15.724 1.00 15.78 O ATOM 1410 CB ARG B 57 54.781 48.383 18.012 1.00 16.82 C ATOM 1411 CG ARG B 57 54.664 48.110 19.501 1.00 24.18 C ATOM 1412 CD ARG B 57 53.234 48.244 20.001 1.00 28.46 C ATOM 1413 NE ARG B 57 52.698 49.593 19.845 1.00 33.52 N ATOM 1414 CZ ARG B 57 52.990 50.614 20.646 1.00 31.91 C ATOM 1415 NH1 ARG B 57 52.446 51.802 20.427 1.00 30.24 N ATOM 1416 NH2 ARG B 57 53.832 50.452 21.660 1.00 29.19 N ATOM 1417 HE ARG B 57 52.044 49.767 19.055 1.00 0.00 H ATOM 1418 HH12 ARG B 57 52.673 52.601 21.052 1.00 0.00 H ATOM 1419 HH11 ARG B 57 51.792 51.935 19.630 1.00 0.00 H ATOM 1420 HH22 ARG B 57 54.056 51.254 22.283 1.00 0.00 H ATOM 1421 HH21 ARG B 57 54.267 49.523 21.831 1.00 0.00 H ATOM 1422 H ARG B 57 57.180 49.534 18.472 1.00 0.00 H ATOM 1423 N GLN B 58 56.257 47.486 15.051 1.00 19.91 N ATOM 1424 CA GLN B 58 56.416 47.800 13.637 1.00 20.08 C ATOM 1425 C GLN B 58 55.045 47.922 12.984 1.00 26.40 C ATOM 1426 O GLN B 58 54.290 46.945 12.920 1.00 25.19 O ATOM 1427 CB GLN B 58 57.249 46.735 12.927 1.00 18.62 C ATOM 1428 CG GLN B 58 57.434 47.006 11.440 1.00 22.30 C ATOM 1429 CD GLN B 58 58.280 45.958 10.750 1.00 30.85 C ATOM 1430 OE1 GLN B 58 59.121 45.310 11.373 1.00 30.92 O ATOM 1431 NE2 GLN B 58 58.057 45.782 9.452 1.00 31.90 N ATOM 1432 HE22 GLN B 58 57.336 46.353 8.966 1.00 0.00 H ATOM 1433 HE21 GLN B 58 58.604 45.074 8.922 1.00 0.00 H ATOM 1434 H GLN B 58 56.142 46.493 15.339 1.00 0.00 H ATOM 1435 N TYR B 59 54.729 49.122 12.505 1.00 21.95 N ATOM 1436 CA TYR B 59 53.550 49.372 11.690 1.00 24.84 C ATOM 1437 C TYR B 59 53.984 49.578 10.246 1.00 29.79 C ATOM 1438 O TYR B 59 55.023 50.191 9.984 1.00 22.95 O ATOM 1439 CB TYR B 59 52.782 50.602 12.184 1.00 26.11 C ATOM 1440 CG TYR B 59 52.244 50.478 13.591 1.00 25.16 C ATOM 1441 CD1 TYR B 59 53.018 50.837 14.685 1.00 25.05 C ATOM 1442 CD2 TYR B 59 50.957 50.011 13.826 1.00 33.09 C ATOM 1443 CE1 TYR B 59 52.531 50.729 15.973 1.00 20.29 C ATOM 1444 CE2 TYR B 59 50.460 49.900 15.111 1.00 25.86 C ATOM 1445 CZ TYR B 59 51.251 50.260 16.180 1.00 27.49 C ATOM 1446 OH TYR B 59 50.763 50.153 17.462 1.00 30.96 O ATOM 1447 HH TYR B 59 51.456 50.451 18.103 1.00 0.00 H ATOM 1448 H TYR B 59 55.356 49.922 12.724 1.00 0.00 H ATOM 1449 N ASP B 60 53.190 49.066 9.311 1.00 25.93 N ATOM 1450 CA ASP B 60 53.521 49.121 7.896 1.00 27.63 C ATOM 1451 C ASP B 60 52.531 50.007 7.152 1.00 25.37 C ATOM 1452 O ASP B 60 51.366 50.134 7.541 1.00 26.30 O ATOM 1453 CB ASP B 60 53.529 47.718 7.283 1.00 33.45 C ATOM 1454 CG ASP B 60 54.566 46.810 7.919 1.00 37.45 C ATOM 1455 OD1 ASP B 60 55.701 47.277 8.154 1.00 36.43 O ATOM 1456 OD2 ASP B 60 54.246 45.634 8.191 1.00 37.99 O ATOM 1457 H ASP B 60 52.301 48.610 9.601 1.00 0.00 H ATOM 1458 N GLN B 61 53.015 50.626 6.076 1.00 26.74 N ATOM 1459 CA GLN B 61 52.193 51.484 5.222 1.00 28.35 C ATOM 1460 C GLN B 61 51.527 52.593 6.034 1.00 26.91 C ATOM 1461 O GLN B 61 50.330 52.860 5.906 1.00 30.82 O ATOM 1462 CB GLN B 61 51.155 50.656 4.461 1.00 34.47 C ATOM 1463 CG GLN B 61 51.762 49.560 3.598 1.00 31.28 C ATOM 1464 CD GLN B 61 52.870 50.074 2.698 1.00 44.87 C ATOM 1465 OE1 GLN B 61 54.013 49.626 2.785 1.00 49.15 O ATOM 1466 NE2 GLN B 61 52.535 51.021 1.829 1.00 37.86 N ATOM 1467 HE22 GLN B 61 51.556 51.369 1.791 1.00 0.00 H ATOM 1468 HE21 GLN B 61 53.252 51.414 1.186 1.00 0.00 H ATOM 1469 H GLN B 61 54.018 50.494 5.833 1.00 0.00 H ATOM 1470 N ILE B 62 52.320 53.244 6.878 1.00 24.75 N ATOM 1471 CA ILE B 62 51.862 54.397 7.644 1.00 26.59 C ATOM 1472 C ILE B 62 52.205 55.655 6.863 1.00 23.99 C ATOM 1473 O ILE B 62 53.344 55.827 6.411 1.00 30.50 O ATOM 1474 CB ILE B 62 52.506 54.424 9.041 1.00 28.07 C ATOM 1475 CG1 ILE B 62 52.172 53.145 9.816 1.00 23.72 C ATOM 1476 CG2 ILE B 62 52.058 55.663 9.819 1.00 25.47 C ATOM 1477 CD1 ILE B 62 50.686 52.931 10.081 1.00 30.51 C ATOM 1478 H ILE B 62 53.301 52.920 6.996 1.00 0.00 H ATOM 1479 N LEU B 63 51.225 56.537 6.708 1.00 24.08 N ATOM 1480 CA LEU B 63 51.417 57.785 5.984 1.00 32.96 C ATOM 1481 C LEU B 63 51.982 58.844 6.923 1.00 26.12 C ATOM 1482 O LEU B 63 51.431 59.086 8.002 1.00 27.54 O ATOM 1483 CB LEU B 63 50.097 58.263 5.380 1.00 34.42 C ATOM 1484 H LEU B 63 50.291 56.330 7.116 1.00 0.00 H ATOM 1485 N ILE B 64 53.087 59.464 6.513 1.00 25.67 N ATOM 1486 CA ILE B 64 53.694 60.568 7.247 1.00 24.03 C ATOM 1487 C ILE B 64 53.966 61.698 6.268 1.00 29.35 C ATOM 1488 O ILE B 64 54.376 61.461 5.126 1.00 32.82 O ATOM 1489 CB ILE B 64 55.001 60.154 7.960 1.00 28.29 C ATOM 1490 CG1 ILE B 64 54.705 59.136 9.066 1.00 34.06 C ATOM 1491 CG2 ILE B 64 55.711 61.389 8.533 1.00 27.70 C ATOM 1492 CD1 ILE B 64 55.922 58.724 9.896 1.00 29.39 C ATOM 1493 H ILE B 64 53.537 59.147 5.631 1.00 0.00 H ATOM 1494 N GLU B 65 53.753 62.928 6.723 1.00 22.07 N ATOM 1495 CA GLU B 65 54.074 64.123 5.957 1.00 23.11 C ATOM 1496 C GLU B 65 55.255 64.813 6.626 1.00 26.29 C ATOM 1497 O GLU B 65 55.161 65.215 7.790 1.00 27.46 O ATOM 1498 CB GLU B 65 52.870 65.060 5.877 1.00 26.76 C ATOM 1499 CG GLU B 65 53.031 66.197 4.888 1.00 27.46 C ATOM 1500 CD GLU B 65 51.747 66.982 4.695 1.00 30.82 C ATOM 1501 OE1 GLU B 65 50.758 66.396 4.207 1.00 29.47 O ATOM 1502 OE2 GLU B 65 51.726 68.182 5.042 1.00 28.47 O ATOM 1503 H GLU B 65 53.338 63.042 7.670 1.00 0.00 H ATOM 1504 N ILE B 66 56.358 64.938 5.894 1.00 23.09 N ATOM 1505 CA ILE B 66 57.591 65.535 6.399 1.00 29.20 C ATOM 1506 C ILE B 66 57.830 66.814 5.608 1.00 32.35 C ATOM 1507 O ILE B 66 58.118 66.763 4.405 1.00 27.79 O ATOM 1508 CB ILE B 66 58.782 64.573 6.274 1.00 29.35 C ATOM 1509 CG1 ILE B 66 58.508 63.271 7.028 1.00 27.46 C ATOM 1510 CG2 ILE B 66 60.058 65.211 6.813 1.00 30.07 C ATOM 1511 CD1 ILE B 66 59.034 62.035 6.320 1.00 25.23 C ATOM 1512 H ILE B 66 56.342 64.593 4.913 1.00 0.00 H ATOM 1513 N CYS B 67 57.712 67.962 6.277 1.00 37.63 N ATOM 1514 CA CYS B 67 57.935 69.260 5.638 1.00 28.60 C ATOM 1515 C CYS B 67 57.092 69.400 4.375 1.00 33.71 C ATOM 1516 O CYS B 67 57.557 69.883 3.341 1.00 34.86 O ATOM 1517 CB CYS B 67 59.416 69.466 5.315 1.00 39.50 C ATOM 1518 SG CYS B 67 60.479 69.657 6.751 1.00 46.31 S ATOM 1519 H CYS B 67 57.454 67.934 7.284 1.00 0.00 H ATOM 1520 N GLY B 68 55.836 68.967 4.457 1.00 36.31 N ATOM 1521 CA GLY B 68 54.945 69.018 3.318 1.00 35.56 C ATOM 1522 C GLY B 68 55.191 67.961 2.264 1.00 33.32 C ATOM 1523 O GLY B 68 54.466 67.933 1.261 1.00 32.39 O ATOM 1524 H GLY B 68 55.488 68.584 5.359 1.00 0.00 H ATOM 1525 N HIS B 69 56.187 67.099 2.449 1.00 28.73 N ATOM 1526 CA HIS B 69 56.451 65.995 1.536 1.00 28.32 C ATOM 1527 C HIS B 69 55.787 64.740 2.087 1.00 30.39 C ATOM 1528 O HIS B 69 56.111 64.295 3.195 1.00 28.88 O ATOM 1529 CB HIS B 69 57.953 65.772 1.359 1.00 28.73 C ATOM 1530 CG HIS B 69 58.639 66.853 0.584 1.00 26.44 C ATOM 1531 ND1 HIS B 69 58.854 68.115 1.095 1.00 30.00 N ATOM 1532 CD2 HIS B 69 59.161 66.859 -0.665 1.00 26.56 C ATOM 1533 CE1 HIS B 69 59.479 68.851 0.193 1.00 30.06 C ATOM 1534 NE2 HIS B 69 59.677 68.113 -0.883 1.00 30.27 N ATOM 1535 H HIS B 69 56.802 67.218 3.279 1.00 0.00 H ATOM 1536 N LYS B 70 54.863 64.173 1.318 1.00 25.66 N ATOM 1537 CA LYS B 70 54.145 62.987 1.757 1.00 22.92 C ATOM 1538 C LYS B 70 54.987 61.740 1.542 1.00 22.69 C ATOM 1539 O LYS B 70 55.689 61.607 0.535 1.00 27.09 O ATOM 1540 CB LYS B 70 52.819 62.852 1.011 1.00 21.89 C ATOM 1541 CG LYS B 70 51.804 63.921 1.374 1.00 32.01 C ATOM 1542 CD LYS B 70 50.418 63.581 0.843 1.00 31.90 C ATOM 1543 CE LYS B 70 49.416 64.682 1.152 1.00 29.16 C ATOM 1544 NZ LYS B 70 49.815 65.981 0.544 1.00 38.46 N ATOM 1545 HZ1 LYS B 70 50.742 66.268 0.919 1.00 0.00 H ATOM 1546 HZ2 LYS B 70 49.876 65.875 -0.489 1.00 0.00 H ATOM 1547 HZ3 LYS B 70 49.106 66.704 0.778 1.00 0.00 H ATOM 1548 H LYS B 70 54.650 64.584 0.387 1.00 0.00 H ATOM 1549 N ALA B 71 54.910 60.822 2.501 1.00 27.30 N ATOM 1550 CA ALA B 71 55.589 59.541 2.414 1.00 25.22 C ATOM 1551 C ALA B 71 54.698 58.481 3.041 1.00 30.95 C ATOM 1552 O ALA B 71 53.739 58.790 3.754 1.00 30.64 O ATOM 1553 CB ALA B 71 56.955 59.576 3.111 1.00 24.19 C ATOM 1554 H ALA B 71 54.341 61.029 3.347 1.00 0.00 H ATOM 1555 N ILE B 72 55.014 57.222 2.758 1.00 25.12 N ATOM 1556 CA ILE B 72 54.254 56.108 3.315 1.00 25.66 C ATOM 1557 C ILE B 72 55.164 54.890 3.384 1.00 20.06 C ATOM 1558 O ILE B 72 55.777 54.500 2.386 1.00 20.96 O ATOM 1559 CB ILE B 72 52.980 55.820 2.492 1.00 30.22 C ATOM 1560 CG1 ILE B 72 52.228 54.620 3.071 1.00 37.44 C ATOM 1561 CG2 ILE B 72 53.320 55.586 1.026 1.00 36.49 C ATOM 1562 CD1 ILE B 72 50.741 54.627 2.766 1.00 33.73 C ATOM 1563 H ILE B 72 55.818 57.027 2.128 1.00 0.00 H ATOM 1564 N GLY B 73 55.261 54.300 4.566 1.00 23.81 N ATOM 1565 CA GLY B 73 56.120 53.148 4.739 1.00 23.70 C ATOM 1566 C GLY B 73 56.117 52.682 6.175 1.00 18.62 C ATOM 1567 O GLY B 73 55.184 52.954 6.932 1.00 20.63 O ATOM 1568 H GLY B 73 54.717 54.666 5.373 1.00 0.00 H ATOM 1569 N THR B 74 57.183 51.978 6.542 1.00 18.13 N ATOM 1570 CA THR B 74 57.275 51.398 7.874 1.00 25.14 C ATOM 1571 C THR B 74 57.531 52.486 8.909 1.00 20.77 C ATOM 1572 O THR B 74 58.368 53.371 8.704 1.00 19.75 O ATOM 1573 CB THR B 74 58.390 50.352 7.919 1.00 26.53 C ATOM 1574 OG1 THR B 74 58.099 49.301 6.989 1.00 29.79 O ATOM 1575 CG2 THR B 74 58.522 49.757 9.315 1.00 28.16 C ATOM 1576 HG1 THR B 74 58.822 48.625 7.020 1.00 0.00 H ATOM 1577 H THR B 74 57.963 51.840 5.868 1.00 0.00 H ATOM 1578 N VAL B 75 56.800 52.421 10.019 1.00 20.60 N ATOM 1579 CA VAL B 75 57.006 53.308 11.158 1.00 17.68 C ATOM 1580 C VAL B 75 57.085 52.448 12.410 1.00 18.28 C ATOM 1581 O VAL B 75 56.142 51.711 12.722 1.00 19.85 O ATOM 1582 CB VAL B 75 55.885 54.355 11.285 1.00 26.90 C ATOM 1583 CG1 VAL B 75 55.954 55.080 12.632 1.00 23.52 C ATOM 1584 CG2 VAL B 75 55.976 55.352 10.147 1.00 27.02 C ATOM 1585 H VAL B 75 56.048 51.705 10.077 1.00 0.00 H ATOM 1586 N LEU B 76 58.207 52.534 13.118 1.00 15.19 N ATOM 1587 CA LEU B 76 58.377 51.846 14.386 1.00 17.55 C ATOM 1588 C LEU B 76 57.959 52.764 15.527 1.00 21.10 C ATOM 1589 O LEU B 76 58.126 53.985 15.459 1.00 21.92 O ATOM 1590 CB LEU B 76 59.831 51.406 14.572 1.00 17.40 C ATOM 1591 CG LEU B 76 60.480 50.676 13.391 1.00 16.65 C ATOM 1592 CD1 LEU B 76 61.956 50.424 13.670 1.00 17.35 C ATOM 1593 CD2 LEU B 76 59.762 49.372 13.089 1.00 17.70 C ATOM 1594 H LEU B 76 58.989 53.113 12.752 1.00 0.00 H ATOM 1595 N VAL B 77 57.402 52.166 16.578 1.00 14.60 N ATOM 1596 CA VAL B 77 56.925 52.905 17.741 1.00 13.96 C ATOM 1597 C VAL B 77 57.441 52.214 18.994 1.00 18.84 C ATOM 1598 O VAL B 77 57.293 50.995 19.142 1.00 14.65 O ATOM 1599 CB VAL B 77 55.386 53.002 17.767 1.00 17.59 C ATOM 1600 CG1 VAL B 77 54.908 53.760 19.004 1.00 26.74 C ATOM 1601 CG2 VAL B 77 54.882 53.683 16.506 1.00 15.78 C ATOM 1602 H VAL B 77 57.303 51.131 16.569 1.00 0.00 H ATOM 1603 N GLY B 78 58.040 52.990 19.893 1.00 16.52 N ATOM 1604 CA GLY B 78 58.591 52.448 21.111 1.00 18.89 C ATOM 1605 C GLY B 78 59.237 53.509 21.978 1.00 21.52 C ATOM 1606 O GLY B 78 59.135 54.710 21.712 1.00 22.25 O ATOM 1607 H GLY B 78 58.113 54.012 19.714 1.00 0.00 H ATOM 1608 N PRO B 79 59.917 53.079 23.043 1.00 20.08 N ATOM 1609 CA PRO B 79 60.525 54.024 23.997 1.00 24.74 C ATOM 1610 C PRO B 79 61.810 54.655 23.468 1.00 24.28 C ATOM 1611 O PRO B 79 62.895 54.508 24.039 1.00 21.48 O ATOM 1612 CB PRO B 79 60.765 53.135 25.225 1.00 23.06 C ATOM 1613 CG PRO B 79 60.998 51.778 24.659 1.00 20.17 C ATOM 1614 CD PRO B 79 60.095 51.677 23.461 1.00 21.32 C ATOM 1615 N THR B 80 61.690 55.372 22.352 1.00 24.17 N ATOM 1616 CA THR B 80 62.834 56.133 21.866 1.00 19.84 C ATOM 1617 C THR B 80 62.874 57.501 22.542 1.00 17.52 C ATOM 1618 O THR B 80 61.825 58.110 22.769 1.00 21.00 O ATOM 1619 CB THR B 80 62.772 56.319 20.350 1.00 22.65 C ATOM 1620 OG1 THR B 80 63.885 57.116 19.925 1.00 16.15 O ATOM 1621 CG2 THR B 80 61.476 57.008 19.927 1.00 18.63 C ATOM 1622 HG1 THR B 80 63.846 58.000 20.370 1.00 0.00 H ATOM 1623 H THR B 80 60.789 55.389 21.833 1.00 0.00 H ATOM 1624 N PRO B 81 64.058 58.016 22.887 1.00 17.51 N ATOM 1625 CA PRO B 81 64.128 59.349 23.504 1.00 23.99 C ATOM 1626 C PRO B 81 63.808 60.491 22.554 1.00 24.35 C ATOM 1627 O PRO B 81 63.786 61.647 22.993 1.00 22.72 O ATOM 1628 CB PRO B 81 65.584 59.431 23.991 1.00 26.42 C ATOM 1629 CG PRO B 81 66.330 58.509 23.098 1.00 25.12 C ATOM 1630 CD PRO B 81 65.386 57.384 22.786 1.00 19.26 C ATOM 1631 N ILE B 82 63.549 60.216 21.275 1.00 16.26 N ATOM 1632 CA ILE B 82 63.361 61.273 20.289 1.00 18.13 C ATOM 1633 C ILE B 82 62.728 60.662 19.049 1.00 15.12 C ATOM 1634 O ILE B 82 62.991 59.507 18.703 1.00 13.07 O ATOM 1635 CB ILE B 82 64.711 61.964 19.966 1.00 17.46 C ATOM 1636 CG1 ILE B 82 64.496 63.168 19.047 1.00 23.77 C ATOM 1637 CG2 ILE B 82 65.681 60.971 19.335 1.00 20.34 C ATOM 1638 CD1 ILE B 82 65.706 64.085 18.956 1.00 25.34 C ATOM 1639 H ILE B 82 63.479 59.223 20.974 1.00 0.00 H ATOM 1640 N ASN B 83 61.888 61.447 18.377 1.00 13.57 N ATOM 1641 CA ASN B 83 61.302 61.017 17.114 1.00 17.29 C ATOM 1642 C ASN B 83 62.365 61.052 16.024 1.00 16.86 C ATOM 1643 O ASN B 83 63.098 62.038 15.892 1.00 14.33 O ATOM 1644 CB ASN B 83 60.125 61.917 16.738 1.00 15.36 C ATOM 1645 CG ASN B 83 58.962 61.805 17.712 1.00 19.68 C ATOM 1646 OD1 ASN B 83 58.588 60.710 18.133 1.00 19.65 O ATOM 1647 ND2 ASN B 83 58.384 62.945 18.071 1.00 19.90 N ATOM 1648 HD22 ASN B 83 58.733 63.848 17.690 1.00 0.00 H ATOM 1649 HD21 ASN B 83 57.582 62.935 18.733 1.00 0.00 H ATOM 1650 H ASN B 83 61.646 62.383 18.760 1.00 0.00 H ATOM 1651 N ILE B 84 62.445 59.978 15.239 1.00 12.07 N ATOM 1652 CA ILE B 84 63.514 59.787 14.265 1.00 12.22 C ATOM 1653 C ILE B 84 62.897 59.421 12.923 1.00 17.46 C ATOM 1654 O ILE B 84 62.180 58.418 12.821 1.00 12.22 O ATOM 1655 CB ILE B 84 64.501 58.698 14.723 1.00 13.51 C ATOM 1656 CG1 ILE B 84 65.299 59.192 15.930 1.00 14.60 C ATOM 1657 CG2 ILE B 84 65.446 58.286 13.589 1.00 17.17 C ATOM 1658 CD1 ILE B 84 66.053 58.100 16.655 1.00 16.39 C ATOM 1659 H ILE B 84 61.713 59.244 15.325 1.00 0.00 H ATOM 1660 N ILE B 85 63.178 60.224 11.898 1.00 13.88 N ATOM 1661 CA ILE B 85 62.858 59.866 10.520 1.00 16.52 C ATOM 1662 C ILE B 85 64.075 59.165 9.930 1.00 12.46 C ATOM 1663 O ILE B 85 65.169 59.740 9.879 1.00 15.13 O ATOM 1664 CB ILE B 85 62.475 61.098 9.686 1.00 12.23 C ATOM 1665 CG1 ILE B 85 61.345 61.886 10.358 1.00 13.55 C ATOM 1666 CG2 ILE B 85 62.068 60.682 8.271 1.00 13.94 C ATOM 1667 CD1 ILE B 85 60.052 61.098 10.559 1.00 22.00 C ATOM 1668 H ILE B 85 63.641 61.136 12.086 1.00 0.00 H ATOM 1669 N GLY B 86 63.890 57.918 9.492 1.00 13.35 N ATOM 1670 CA GLY B 86 64.969 57.115 8.965 1.00 16.45 C ATOM 1671 C GLY B 86 64.992 57.087 7.443 1.00 16.15 C ATOM 1672 O GLY B 86 64.147 57.660 6.759 1.00 15.66 O ATOM 1673 H GLY B 86 62.934 57.510 9.532 1.00 0.00 H ATOM 1674 N ARG B 87 65.997 56.381 6.916 1.00 15.66 N ATOM 1675 CA ARG B 87 66.209 56.351 5.472 1.00 14.85 C ATOM 1676 C ARG B 87 65.002 55.797 4.725 1.00 18.21 C ATOM 1677 O ARG B 87 64.769 56.170 3.570 1.00 21.39 O ATOM 1678 CB ARG B 87 67.452 55.526 5.136 1.00 15.30 C ATOM 1679 CG ARG B 87 68.745 56.125 5.657 1.00 14.80 C ATOM 1680 CD ARG B 87 69.963 55.397 5.110 1.00 16.81 C ATOM 1681 NE ARG B 87 70.060 54.025 5.605 1.00 18.85 N ATOM 1682 CZ ARG B 87 69.660 52.940 4.945 1.00 24.58 C ATOM 1683 NH1 ARG B 87 69.124 53.030 3.733 1.00 20.12 N ATOM 1684 NH2 ARG B 87 69.802 51.748 5.504 1.00 20.26 N ATOM 1685 HE ARG B 87 70.475 53.885 6.548 1.00 0.00 H ATOM 1686 HH12 ARG B 87 68.818 52.170 3.235 1.00 0.00 H ATOM 1687 HH11 ARG B 87 69.010 53.960 3.282 1.00 0.00 H ATOM 1688 HH22 ARG B 87 69.492 50.895 4.996 1.00 0.00 H ATOM 1689 HH21 ARG B 87 70.223 51.665 6.451 1.00 0.00 H ATOM 1690 H ARG B 87 66.634 55.848 7.541 1.00 0.00 H ATOM 1691 N ASN B 88 64.225 54.912 5.356 1.00 16.31 N ATOM 1692 CA ASN B 88 63.091 54.314 4.658 1.00 16.73 C ATOM 1693 C ASN B 88 62.094 55.372 4.200 1.00 17.72 C ATOM 1694 O ASN B 88 61.395 55.171 3.202 1.00 23.46 O ATOM 1695 CB ASN B 88 62.403 53.280 5.551 1.00 14.64 C ATOM 1696 CG ASN B 88 61.603 53.911 6.670 1.00 18.59 C ATOM 1697 OD1 ASN B 88 62.104 54.757 7.409 1.00 15.48 O ATOM 1698 ND2 ASN B 88 60.344 53.504 6.797 1.00 18.63 N ATOM 1699 HD22 ASN B 88 59.962 52.786 6.149 1.00 0.00 H ATOM 1700 HD21 ASN B 88 59.741 53.904 7.544 1.00 0.00 H ATOM 1701 H ASN B 88 64.428 54.650 6.342 1.00 0.00 H ATOM 1702 N LEU B 89 62.012 56.499 4.910 1.00 18.31 N ATOM 1703 CA LEU B 89 61.172 57.618 4.498 1.00 15.79 C ATOM 1704 C LEU B 89 61.952 58.793 3.927 1.00 19.32 C ATOM 1705 O LEU B 89 61.393 59.555 3.136 1.00 16.25 O ATOM 1706 CB LEU B 89 60.330 58.118 5.679 1.00 16.97 C ATOM 1707 CG LEU B 89 59.394 57.105 6.345 1.00 19.80 C ATOM 1708 CD1 LEU B 89 58.593 57.785 7.446 1.00 25.30 C ATOM 1709 CD2 LEU B 89 58.462 56.450 5.336 1.00 17.01 C ATOM 1710 H LEU B 89 62.566 56.582 5.786 1.00 0.00 H ATOM 1711 N LEU B 90 63.221 58.967 4.306 1.00 16.36 N ATOM 1712 CA LEU B 90 64.008 60.061 3.744 1.00 17.08 C ATOM 1713 C LEU B 90 64.139 59.920 2.233 1.00 17.55 C ATOM 1714 O LEU B 90 64.076 60.914 1.501 1.00 19.92 O ATOM 1715 CB LEU B 90 65.388 60.113 4.399 1.00 14.25 C ATOM 1716 CG LEU B 90 65.439 60.525 5.872 1.00 12.62 C ATOM 1717 CD1 LEU B 90 66.842 60.333 6.428 1.00 15.11 C ATOM 1718 CD2 LEU B 90 64.992 61.967 6.051 1.00 14.79 C ATOM 1719 H LEU B 90 63.649 58.323 5.002 1.00 0.00 H ATOM 1720 N THR B 91 64.320 58.689 1.747 1.00 16.07 N ATOM 1721 CA THR B 91 64.370 58.465 0.305 1.00 20.74 C ATOM 1722 C THR B 91 63.085 58.933 -0.366 1.00 26.98 C ATOM 1723 O THR B 91 63.120 59.512 -1.458 1.00 26.83 O ATOM 1724 CB THR B 91 64.607 56.984 0.007 1.00 26.43 C ATOM 1725 OG1 THR B 91 63.589 56.197 0.641 1.00 25.63 O ATOM 1726 CG2 THR B 91 65.976 56.539 0.503 1.00 22.39 C ATOM 1727 HG1 THR B 91 63.745 55.239 0.446 1.00 0.00 H ATOM 1728 H THR B 91 64.426 57.886 2.399 1.00 0.00 H ATOM 1729 N GLN B 92 61.940 58.701 0.279 1.00 25.19 N ATOM 1730 CA GLN B 92 60.655 58.995 -0.341 1.00 23.65 C ATOM 1731 C GLN B 92 60.405 60.490 -0.492 1.00 27.47 C ATOM 1732 O GLN B 92 59.566 60.880 -1.311 1.00 23.62 O ATOM 1733 CB GLN B 92 59.527 58.359 0.472 1.00 24.83 C ATOM 1734 CG GLN B 92 59.582 56.838 0.514 1.00 25.58 C ATOM 1735 CD GLN B 92 58.339 56.231 1.131 1.00 25.03 C ATOM 1736 OE1 GLN B 92 57.247 56.791 1.033 1.00 26.92 O ATOM 1737 NE2 GLN B 92 58.498 55.081 1.776 1.00 27.42 N ATOM 1738 HE22 GLN B 92 59.440 54.643 1.834 1.00 0.00 H ATOM 1739 HE21 GLN B 92 57.681 54.618 2.223 1.00 0.00 H ATOM 1740 H GLN B 92 61.965 58.304 1.240 1.00 0.00 H ATOM 1741 N ILE B 93 61.099 61.333 0.272 1.00 22.82 N ATOM 1742 CA ILE B 93 60.948 62.778 0.153 1.00 23.09 C ATOM 1743 C ILE B 93 62.097 63.406 -0.631 1.00 21.49 C ATOM 1744 O ILE B 93 62.199 64.634 -0.696 1.00 30.63 O ATOM 1745 CB ILE B 93 60.798 63.439 1.535 1.00 27.53 C ATOM 1746 CG1 ILE B 93 62.085 63.323 2.358 1.00 24.46 C ATOM 1747 CG2 ILE B 93 59.633 62.805 2.295 1.00 25.47 C ATOM 1748 CD1 ILE B 93 62.110 64.238 3.561 1.00 23.03 C ATOM 1749 H ILE B 93 61.766 60.950 0.972 1.00 0.00 H ATOM 1750 N GLY B 94 62.962 62.591 -1.231 1.00 23.61 N ATOM 1751 CA GLY B 94 64.035 63.108 -2.060 1.00 30.35 C ATOM 1752 C GLY B 94 65.207 63.679 -1.297 1.00 31.98 C ATOM 1753 O GLY B 94 65.886 64.578 -1.803 1.00 31.11 O ATOM 1754 H GLY B 94 62.867 61.563 -1.103 1.00 0.00 H ATOM 1755 N CYS B 95 65.473 63.174 -0.095 1.00 26.48 N ATOM 1756 CA CYS B 95 66.519 63.729 0.752 1.00 23.79 C ATOM 1757 C CYS B 95 67.871 63.118 0.409 1.00 21.71 C ATOM 1758 O CYS B 95 68.006 61.894 0.302 1.00 23.21 O ATOM 1759 CB CYS B 95 66.186 63.492 2.224 1.00 24.86 C ATOM 1760 SG CYS B 95 67.322 64.291 3.379 1.00 22.46 S ATOM 1761 H CYS B 95 64.920 62.363 0.248 1.00 0.00 H ATOM 1762 N THR B 96 68.872 63.980 0.240 1.00 18.37 N ATOM 1763 CA THR B 96 70.238 63.566 -0.037 1.00 20.82 C ATOM 1764 C THR B 96 71.189 64.249 0.936 1.00 19.12 C ATOM 1765 O THR B 96 70.868 65.281 1.533 1.00 19.97 O ATOM 1766 CB THR B 96 70.656 63.909 -1.477 1.00 25.72 C ATOM 1767 OG1 THR B 96 70.431 65.305 -1.727 1.00 18.30 O ATOM 1768 CG2 THR B 96 69.870 63.080 -2.483 1.00 26.15 C ATOM 1769 HG1 THR B 96 69.470 65.510 -1.606 1.00 0.00 H ATOM 1770 H THR B 96 68.667 64.997 0.309 1.00 0.00 H ATOM 1771 N LEU B 97 72.365 63.646 1.098 1.00 19.00 N ATOM 1772 CA LEU B 97 73.493 64.295 1.750 1.00 22.53 C ATOM 1773 C LEU B 97 74.378 64.931 0.687 1.00 26.24 C ATOM 1774 O LEU B 97 74.554 64.373 -0.400 1.00 24.59 O ATOM 1775 CB LEU B 97 74.306 63.291 2.568 1.00 21.25 C ATOM 1776 CG LEU B 97 73.731 62.828 3.906 1.00 20.73 C ATOM 1777 CD1 LEU B 97 74.521 61.637 4.427 1.00 20.88 C ATOM 1778 CD2 LEU B 97 73.757 63.960 4.919 1.00 22.26 C ATOM 1779 H LEU B 97 72.482 62.675 0.745 1.00 0.00 H ATOM 1780 N ASN B 98 74.934 66.100 1.000 1.00 23.00 N ATOM 1781 CA ASN B 98 75.737 66.834 0.030 1.00 26.04 C ATOM 1782 C ASN B 98 76.908 67.517 0.717 1.00 24.97 C ATOM 1783 O ASN B 98 76.730 68.180 1.742 1.00 22.23 O ATOM 1784 CB ASN B 98 74.889 67.876 -0.708 1.00 24.59 C ATOM 1785 CG ASN B 98 73.709 67.261 -1.431 1.00 26.68 C ATOM 1786 OD1 ASN B 98 72.668 66.995 -0.830 1.00 26.38 O ATOM 1787 ND2 ASN B 98 73.864 67.036 -2.728 1.00 27.82 N ATOM 1788 HD22 ASN B 98 74.762 67.277 -3.194 1.00 0.00 H ATOM 1789 HD21 ASN B 98 73.088 66.618 -3.280 1.00 0.00 H ATOM 1790 H ASN B 98 74.793 66.495 1.952 1.00 0.00 H ATOM 1791 N PHE B 99 78.098 67.352 0.146 1.00 20.45 N ATOM 1792 CA PHE B 99 79.271 68.114 0.562 1.00 24.96 C ATOM 1793 C PHE B 99 80.321 68.099 -0.543 1.00 34.32 C ATOM 1794 O PHE B 99 81.363 68.749 -0.444 1.00 29.49 O ATOM 1795 CB PHE B 99 79.856 67.562 1.865 1.00 24.77 C ATOM 1796 CG PHE B 99 80.277 66.123 1.786 1.00 21.51 C ATOM 1797 CD1 PHE B 99 79.371 65.109 2.041 1.00 24.42 C ATOM 1798 CD2 PHE B 99 81.585 65.785 1.478 1.00 28.28 C ATOM 1799 CE1 PHE B 99 79.757 63.784 1.978 1.00 24.43 C ATOM 1800 CE2 PHE B 99 81.977 64.463 1.413 1.00 27.88 C ATOM 1801 CZ PHE B 99 81.061 63.460 1.663 1.00 31.66 C ATOM 1802 OXT PHE B 99 80.145 67.438 -1.568 1.00 31.30 O ATOM 1803 H PHE B 99 78.196 66.657 -0.622 1.00 0.00 H TER 1804 PHE B 99 HETATM 1805 O HOH 1 59.566 61.601 24.783 1.00 36.46 O HETATM 1806 O HOH 2 61.078 63.806 19.605 1.00 37.24 O HETATM 1807 O HOH 3 57.077 62.718 -1.011 1.00 28.24 O HETATM 1808 O HOH 4 58.181 48.886 23.148 1.00 32.53 O HETATM 1809 O HOH 5 68.266 66.077 -2.764 1.00 25.43 O HETATM 1810 O HOH 6 47.654 41.136 15.030 1.00 31.61 O HETATM 1811 O HOH 7 69.923 71.126 11.594 1.00 16.62 O HETATM 1812 O HOH 8 53.891 45.181 10.696 1.00 33.02 O HETATM 1813 O HOH 9 72.127 74.409 11.463 1.00 20.49 O HETATM 1814 O HOH 10 67.746 59.651 -1.023 1.00 20.53 O HETATM 1815 O HOH 11 46.461 66.928 15.665 1.00 36.12 O HETATM 1816 O HOH 12 62.466 72.874 12.310 1.00 36.60 O HETATM 1817 O HOH 13 64.242 53.716 1.253 1.00 35.65 O HETATM 1818 O HOH 14 55.392 49.869 5.203 1.00 24.67 O HETATM 1819 O HOH 15 65.046 65.085 -4.261 1.00 22.82 O HETATM 1820 O HOH 16 71.553 54.549 8.051 1.00 19.61 O HETATM 1821 O HOH 17 47.785 49.224 17.273 1.00 25.52 O HETATM 1822 O HOH 18 67.338 71.855 16.151 1.00 25.59 O HETATM 1823 O HOH 19 65.753 71.352 10.649 1.00 23.33 O HETATM 1824 O HOH 20 43.943 63.673 14.900 1.00 32.66 O HETATM 1825 O HOH 21 70.068 75.207 8.119 1.00 28.66 O HETATM 1826 O HOH 22 49.120 58.333 9.212 1.00 30.77 O HETATM 1827 O HOH 23 49.582 64.053 4.994 1.00 41.16 O HETATM 1828 O HOH 24 58.379 39.915 14.956 1.00 27.26 O HETATM 1829 O HOH 25 66.817 76.076 1.688 1.00 45.53 O HETATM 1830 O HOH 26 70.910 47.517 8.138 1.00 41.77 O HETATM 1831 O HOH 27 52.461 64.329 19.858 1.00 32.91 O HETATM 1832 O HOH 28 59.707 71.778 10.081 1.00 29.45 O HETATM 1833 O HOH 29 63.766 64.412 22.541 1.00 38.80 O HETATM 1834 O HOH 30 70.258 45.414 24.365 1.00 37.06 O HETATM 1835 O HOH 31 55.758 59.990 18.764 1.00 25.39 O HETATM 1836 O HOH 32 66.470 67.164 20.350 1.00 25.82 O HETATM 1837 O HOH 33 59.281 51.581 4.644 1.00 23.26 O HETATM 1838 O HOH 34 55.809 61.862 22.048 1.00 34.55 O HETATM 1839 O HOH 35 50.099 62.580 7.315 1.00 35.26 O HETATM 1840 O HOH 36 65.642 45.896 9.766 1.00 37.42 O HETATM 1841 O HOH 37 70.062 52.095 11.736 1.00 16.90 O HETATM 1842 O HOH 38 69.082 47.152 14.736 1.00 22.43 O HETATM 1843 O HOH 39 50.997 47.341 10.218 1.00 36.36 O HETATM 1844 O HOH 40 65.671 60.212 -2.638 1.00 29.78 O HETATM 1845 O HOH 41 66.137 51.612 5.056 1.00 21.71 O HETATM 1846 O HOH 42 60.076 72.610 12.920 1.00 35.75 O HETATM 1847 O HOH 43 48.995 67.995 16.587 1.00 33.77 O HETATM 1848 O HOH 44 62.691 48.271 25.281 1.00 20.36 O HETATM 1849 O HOH 45 56.181 63.249 19.967 1.00 32.70 O HETATM 1850 O HOH 46 67.801 44.432 14.670 1.00 29.79 O HETATM 1851 O HOH 47 70.430 50.066 13.725 1.00 20.10 O HETATM 1852 O HOH 48 48.874 43.166 15.753 1.00 28.72 O HETATM 1853 O HOH 49 57.180 66.020 19.110 1.00 23.89 O HETATM 1854 O HOH 50 70.779 71.034 18.545 1.00 30.29 O HETATM 1855 O HOH 51 60.740 47.808 7.332 1.00 39.91 O HETATM 1856 O HOH 52 58.962 57.466 23.658 1.00 30.44 O HETATM 1857 O HOH 53 55.404 59.325 24.479 1.00 37.05 O HETATM 1858 O HOH 54 70.502 63.501 23.968 1.00 45.19 O HETATM 1859 O HOH 55 68.544 49.971 3.271 1.00 34.47 O HETATM 1860 O HOH 56 53.377 48.246 23.827 1.00 41.57 O HETATM 1861 O HOH 57 66.284 52.012 2.704 1.00 41.39 O HETATM 1862 O HOH 58 58.900 51.931 2.178 1.00 42.27 O HETATM 1863 O HOH 59 47.329 36.757 10.466 1.00 36.36 O HETATM 1864 O HOH 60 71.710 76.510 4.294 1.00 36.07 O HETATM 1865 O HOH 61 76.607 68.172 -4.145 1.00 36.71 O HETATM 1866 O HOH 62 48.024 62.358 8.735 1.00 44.29 O HETATM 1867 O HOH 63 61.510 47.315 9.631 1.00 32.93 O HETATM 1868 O HOH 64 53.988 68.898 7.500 1.00 39.20 O HETATM 1869 O HOH 65 68.032 63.236 23.363 1.00 34.04 O HETATM 1870 O HOH 66 78.200 72.043 16.147 1.00 40.18 O HETATM 1871 O HOH 67 67.834 72.598 11.740 1.00 19.60 O HETATM 1872 O HOH 68 66.756 43.229 13.283 1.00 36.12 O HETATM 1873 O HOH 69 77.009 77.212 6.530 1.00 33.06 O HETATM 1874 O HOH 70 69.178 66.254 24.587 1.00 47.88 O HETATM 1875 O HOH 71 61.090 59.538 -4.639 1.00 33.20 O HETATM 1876 O HOH 72 70.093 68.716 22.524 1.00 40.49 O HETATM 1877 O HOH 73 76.945 70.754 -1.198 1.00 33.76 O HETATM 1878 O HOH 74 74.216 71.334 -2.545 1.00 34.88 O HETATM 1879 O HOH 75 68.876 71.527 18.904 1.00 35.24 O HETATM 1880 O HOH 76 60.108 71.985 -0.115 1.00 43.77 O HETATM 1881 O HOH 77 60.131 50.040 3.656 1.00 44.66 O HETATM 1882 O HOH 78 72.007 46.692 15.275 1.00 23.76 O HETATM 1883 O HOH 79 68.791 74.941 10.039 1.00 33.22 O HETATM 1884 O HOH 80 66.897 75.108 18.874 1.00 38.60 O HETATM 1885 O HOH 81 75.074 77.242 4.538 1.00 36.97 O HETATM 1886 O HOH 82 66.679 62.163 26.174 1.00 42.92 O HETATM 1887 O HOH 83 63.325 46.495 5.541 1.00 43.42 O HETATM 1888 O HOH 84 53.363 70.942 8.774 1.00 41.97 O HETATM 1889 O HOH 85 63.531 66.215 19.839 1.00 26.22 O HETATM 1890 O HOH 86 92.788 64.152 23.439 1.00 33.23 O HETATM 1891 O HOH 87 81.342 66.092 19.930 1.00 26.59 O HETATM 1892 O HOH 88 87.368 70.061 5.259 1.00 32.47 O HETATM 1893 O HOH 89 76.971 62.374 28.282 1.00 36.98 O HETATM 1894 O HOH 90 91.911 59.763 30.627 1.00 43.88 O HETATM 1895 O HOH 91 83.515 70.488 15.195 1.00 19.42 O HETATM 1896 O HOH 92 77.802 67.134 21.530 1.00 34.72 O HETATM 1897 O HOH 93 80.708 46.718 14.002 1.00 34.27 O HETATM 1898 O HOH 94 73.867 55.992 0.768 1.00 20.19 O HETATM 1899 O HOH 95 88.396 68.593 19.213 1.00 20.18 O HETATM 1900 O HOH 96 86.634 50.456 11.852 1.00 33.17 O HETATM 1901 O HOH 97 71.727 55.066 19.173 1.00 15.65 O HETATM 1902 O HOH 98 83.900 46.595 12.435 1.00 37.07 O HETATM 1903 O HOH 99 94.653 61.225 12.829 1.00 24.98 O HETATM 1904 O HOH 100 78.228 53.707 0.741 1.00 35.71 O HETATM 1905 O HOH 101 76.278 71.206 1.275 1.00 24.01 O HETATM 1906 O HOH 102 87.226 52.063 14.616 1.00 30.00 O HETATM 1907 O HOH 103 93.777 61.335 8.628 1.00 32.08 O HETATM 1908 O HOH 104 76.200 71.747 7.926 1.00 13.46 O HETATM 1909 O HOH 105 74.208 51.031 29.487 1.00 30.35 O HETATM 1910 O HOH 106 89.975 71.569 15.547 1.00 20.16 O HETATM 1911 O HOH 107 84.310 51.556 26.789 1.00 39.99 O HETATM 1912 O HOH 108 71.706 55.223 -1.998 1.00 22.42 O HETATM 1913 O HOH 109 87.129 52.983 24.784 1.00 36.34 O HETATM 1914 O HOH 110 80.476 62.233 30.166 1.00 38.12 O HETATM 1915 O HOH 111 77.696 68.418 17.663 1.00 21.99 O HETATM 1916 O HOH 112 65.544 49.024 11.976 1.00 28.32 O HETATM 1917 O HOH 113 82.631 63.469 18.784 1.00 20.67 O HETATM 1918 O HOH 114 66.582 53.664 25.994 1.00 29.94 O HETATM 1919 O HOH 115 82.096 48.046 18.463 1.00 21.02 O HETATM 1920 O HOH 116 70.440 48.572 27.076 1.00 33.77 O HETATM 1921 O HOH 117 82.044 50.253 12.117 1.00 23.07 O HETATM 1922 O HOH 118 70.984 64.177 17.623 1.00 13.68 O HETATM 1923 O HOH 119 71.481 65.379 15.311 1.00 14.81 O HETATM 1924 O HOH 120 70.660 56.757 -6.113 1.00 26.69 O HETATM 1925 O HOH 121 76.455 59.180 -4.872 1.00 38.07 O HETATM 1926 O HOH 122 79.765 71.922 1.062 1.00 33.53 O HETATM 1927 O HOH 123 85.145 68.780 27.124 1.00 41.65 O HETATM 1928 O HOH 124 80.021 51.217 28.701 1.00 26.60 O HETATM 1929 O HOH 125 93.947 69.949 1.804 1.00 43.17 O HETATM 1930 O HOH 126 72.926 68.358 21.411 1.00 33.09 O HETATM 1931 O HOH 127 80.696 49.535 7.811 1.00 32.43 O HETATM 1932 O HOH 128 69.879 58.467 25.329 1.00 33.38 O HETATM 1933 O HOH 129 84.452 48.531 19.722 1.00 20.56 O HETATM 1934 O HOH 130 69.022 72.300 -1.532 1.00 33.13 O HETATM 1935 O HOH 131 76.513 50.105 22.608 1.00 22.36 O HETATM 1936 O HOH 132 74.309 70.922 18.416 1.00 30.56 O HETATM 1937 O HOH 133 82.600 49.976 9.622 1.00 32.42 O HETATM 1938 O HOH 134 84.608 68.585 17.429 1.00 20.18 O HETATM 1939 O HOH 135 76.154 70.470 17.646 1.00 37.67 O HETATM 1940 O HOH 136 71.815 50.183 28.479 1.00 36.38 O HETATM 1941 O HOH 137 87.136 68.142 31.195 1.00 47.57 O HETATM 1942 O HOH 138 80.045 72.186 14.719 1.00 28.17 O HETATM 1943 O HOH 139 65.263 58.750 -4.805 1.00 40.76 O HETATM 1944 O HOH 140 100.552 58.787 22.121 1.00 42.27 O HETATM 1945 O HOH 141 94.459 45.450 14.392 1.00 38.32 O HETATM 1946 O HOH 142 84.098 56.720 0.354 1.00 21.76 O HETATM 1947 O HOH 143 86.271 49.962 9.459 1.00 31.43 O HETATM 1948 O HOH 144 74.536 57.797 -3.857 1.00 32.48 O HETATM 1949 O HOH 145 71.302 60.951 24.646 1.00 39.53 O HETATM 1950 O HOH 146 75.358 65.245 23.095 1.00 31.48 O HETATM 1951 O HOH 147 97.828 60.647 8.406 1.00 37.13 O HETATM 1952 O HOH 148 76.197 48.648 7.465 1.00 27.41 O HETATM 1953 O HOH 149 73.747 69.863 20.105 1.00 38.15 O HETATM 1954 O HOH 150 74.934 48.266 12.866 1.00 28.59 O HETATM 1955 O HOH 151 89.486 59.652 2.777 1.00 36.71 O HETATM 1956 O HOH 152 65.564 51.420 0.672 1.00 41.57 O HETATM 1957 O HOH 153 80.254 63.368 26.057 1.00 37.96 O HETATM 1958 O HOH 154 91.993 67.344 26.640 1.00 46.85 O HETATM 1959 O HOH 155 96.361 65.102 18.293 1.00 38.91 O HETATM 1960 O HOH 156 82.836 66.301 -5.282 1.00 46.11 O HETATM 1961 O HOH 157 97.404 63.941 3.574 1.00 43.88 O HETATM 1962 O HOH 158 82.820 53.293 0.484 1.00 34.91 O HETATM 1963 O HOH 159 86.320 53.269 27.467 1.00 39.81 O HETATM 1964 O HOH 160 72.917 47.513 13.576 1.00 33.10 O HETATM 1965 O HOH 161 83.417 60.151 33.865 1.00 41.36 O HETATM 1966 O HOH 162 82.034 65.606 23.111 1.00 34.78 O HETATM 1967 O HOH 163 84.219 65.984 -3.396 1.00 39.90 O HETATM 1968 O HOH 164 87.376 48.613 8.436 1.00 41.81 O HETATM 1969 O HOH 165 79.005 74.954 6.432 1.00 39.76 O HETATM 1970 O HOH 166 67.865 68.217 -4.372 1.00 24.96 O HETATM 1971 O HOH 167 95.869 68.349 21.252 1.00 45.23 O HETATM 1972 O HOH 168 84.353 47.815 9.586 1.00 42.14 O HETATM 1973 O HOH 169 81.844 72.579 16.125 1.00 25.52 O HETATM 1974 O HOH 170 94.897 50.990 26.109 1.00 49.83 O HETATM 1975 O HOH 171 87.055 48.294 10.654 1.00 41.97 O HETATM 1976 O HOH 172 70.172 50.737 -3.832 1.00 38.29 O HETATM 1977 N1 A A 60 65.412 51.676 12.716 1.00 0.22 N HETATM 1978 C2 A A 60 66.366 52.330 13.579 1.00 -0.02 C HETATM 1979 C3 A A 60 66.145 53.808 13.990 1.00 -0.01 C HETATM 1980 C4 A A 60 67.149 54.513 14.899 1.00 -0.02 C HETATM 1981 C5 A A 60 68.379 53.748 15.415 1.00 0.10 C HETATM 1982 C6 A A 60 68.609 52.281 15.007 1.00 -0.02 C HETATM 1983 C7 A A 60 67.594 51.571 14.086 1.00 -0.01 C HETATM 1984 H12 A A 60 68.150 51.236 13.198 1.00 0.03 H HETATM 1985 H13 A A 60 67.222 50.695 14.638 1.00 0.03 H HETATM 1986 H10 A A 60 68.658 51.696 15.937 1.00 0.03 H HETATM 1987 H11 A A 60 69.583 52.242 14.497 1.00 0.03 H HETATM 1988 S8 A A 60 69.593 54.611 16.499 1.00 0.04 S HETATM 1989 O9 A A 60 68.999 55.704 17.262 1.00 -0.15 O HETATM 1990 O10 A A 60 70.106 53.744 17.547 1.00 -0.15 O HETATM 1991 N11 A A 60 70.832 55.173 15.455 1.00 -0.24 N HETATM 1992 C12 A A 60 71.517 54.126 14.685 1.00 0.03 C HETATM 1993 C13 A A 60 73.092 54.370 14.670 1.00 -0.02 C HETATM 1994 C14 A A 60 73.623 54.276 16.132 1.00 -0.05 C HETATM 1995 C20 A A 60 75.133 54.586 16.196 1.00 -0.07 C HETATM 1996 H29 A A 60 75.479 54.512 17.238 1.00 0.02 H HETATM 1997 H30 A A 60 75.315 55.604 15.821 1.00 0.02 H HETATM 1998 H31 A A 60 75.682 53.863 15.575 1.00 0.02 H HETATM 1999 H17 A A 60 73.449 53.259 16.513 1.00 0.03 H HETATM 2000 H18 A A 60 73.081 55.000 16.758 1.00 0.03 H HETATM 2001 C15 A A 60 73.742 53.335 13.717 1.00 -0.05 C HETATM 2002 C18 A A 60 73.706 51.887 14.300 1.00 -0.07 C HETATM 2003 H24 A A 60 74.178 51.193 13.588 1.00 0.02 H HETATM 2004 H25 A A 60 72.662 51.585 14.469 1.00 0.02 H HETATM 2005 H26 A A 60 74.253 51.862 15.254 1.00 0.02 H HETATM 2006 H19 A A 60 74.790 53.621 13.546 1.00 0.03 H HETATM 2007 H20 A A 60 73.198 53.345 12.761 1.00 0.03 H HETATM 2008 H16 A A 60 73.303 55.379 14.286 1.00 0.03 H HETATM 2009 H14 A A 60 71.141 54.135 13.651 1.00 0.05 H HETATM 2010 H15 A A 60 71.308 53.148 15.143 1.00 0.05 H HETATM 2011 C16 A A 60 70.571 56.489 14.771 1.00 0.06 C HETATM 2012 C17 A A 60 71.522 57.593 15.351 1.00 0.09 C HETATM 2013 O18 A A 60 71.486 58.707 14.538 1.00 -0.39 O HETATM 2014 H27 A A 60 71.773 58.469 13.664 1.00 0.21 H HETATM 2015 C19 A A 60 71.111 57.978 16.772 1.00 0.07 C HETATM 2016 N20 A A 60 72.086 58.956 17.292 1.00 -0.26 N HETATM 2017 C21 A A 60 73.190 58.560 18.217 1.00 0.32 C HETATM 2018 O22 A A 60 73.208 57.496 18.737 1.00 -0.38 O HETATM 2019 O23 A A 60 74.218 59.530 18.437 1.00 -0.26 O HETATM 2020 C24 A A 60 74.995 59.447 19.732 1.00 0.12 C HETATM 2021 C25 A A 60 76.174 59.832 19.485 1.00 0.08 C HETATM 2022 O26 A A 60 76.037 61.468 19.404 1.00 -0.35 O HETATM 2023 C27 A A 60 75.171 61.807 20.304 1.00 0.16 C HETATM 2024 O28 A A 60 74.009 62.700 19.708 1.00 -0.35 O HETATM 2025 C29 A A 60 72.957 61.919 19.610 1.00 0.05 C HETATM 2026 C30 A A 60 73.169 60.728 20.696 1.00 -0.02 C HETATM 2027 C31 A A 60 74.497 60.506 20.765 1.00 0.04 C HETATM 2028 H41 A A 60 74.787 60.224 21.788 1.00 0.04 H HETATM 2029 H39 A A 60 72.648 59.817 20.367 1.00 0.03 H HETATM 2030 H40 A A 60 72.784 61.037 21.679 1.00 0.03 H HETATM 2031 H37 A A 60 72.887 61.501 18.595 1.00 0.06 H HETATM 2032 H38 A A 60 72.041 62.484 19.838 1.00 0.06 H HETATM 2033 H36 A A 60 75.667 62.326 21.137 1.00 0.09 H HETATM 2034 H34 A A 60 76.530 59.420 18.529 1.00 0.06 H HETATM 2035 H35 A A 60 76.861 59.535 20.291 1.00 0.06 H HETATM 2036 H33 A A 60 74.960 58.428 20.145 1.00 0.07 H HETATM 2037 H32 A A 60 72.005 59.914 17.017 1.00 0.19 H HETATM 2038 C32 A A 60 69.766 58.662 16.825 1.00 -0.02 C HETATM 2039 C38 A A 60 69.553 59.147 18.287 1.00 -0.04 C HETATM 2040 C33 A A 60 69.750 60.630 18.645 1.00 -0.05 C HETATM 2041 C34 A A 60 69.544 61.107 20.099 1.00 -0.05 C HETATM 2042 C35 A A 60 69.138 60.086 21.200 1.00 -0.05 C HETATM 2043 C36 A A 60 68.943 58.601 20.843 1.00 -0.05 C HETATM 2044 C37 A A 60 69.148 58.126 19.388 1.00 -0.05 C HETATM 2045 H52 A A 60 68.200 57.671 19.066 1.00 0.03 H HETATM 2046 H53 A A 60 69.934 57.357 19.413 1.00 0.03 H HETATM 2047 H50 A A 60 67.911 58.340 21.120 1.00 0.03 H HETATM 2048 H51 A A 60 69.646 58.029 21.466 1.00 0.03 H HETATM 2049 H48 A A 60 68.186 60.438 21.623 1.00 0.03 H HETATM 2050 H49 A A 60 69.919 60.126 21.973 1.00 0.03 H HETATM 2051 H46 A A 60 68.758 61.876 20.073 1.00 0.03 H HETATM 2052 H47 A A 60 70.492 61.562 20.422 1.00 0.03 H HETATM 2053 H44 A A 60 70.783 60.889 18.369 1.00 0.03 H HETATM 2054 H45 A A 60 69.049 61.203 18.020 1.00 0.03 H HETATM 2055 H54 A A 60 68.492 59.339 18.071 1.00 0.03 H HETATM 2056 H42 A A 60 68.972 57.955 16.543 1.00 0.03 H HETATM 2057 H43 A A 60 69.753 59.521 16.138 1.00 0.03 H HETATM 2058 H28 A A 60 71.094 57.076 17.402 1.00 0.06 H HETATM 2059 H23 A A 60 72.549 57.199 15.374 1.00 0.06 H HETATM 2060 H21 A A 60 69.525 56.785 14.938 1.00 0.05 H HETATM 2061 H22 A A 60 70.754 56.381 13.692 1.00 0.05 H HETATM 2062 H9 A A 60 67.813 53.418 16.299 1.00 0.06 H HETATM 2063 H7 A A 60 66.592 54.855 15.784 1.00 0.03 H HETATM 2064 H8 A A 60 67.526 55.384 14.343 1.00 0.03 H HETATM 2065 H5 A A 60 65.171 53.852 14.500 1.00 0.03 H HETATM 2066 H6 A A 60 66.098 54.392 13.059 1.00 0.03 H HETATM 2067 H4 A A 60 65.797 51.998 14.460 1.00 0.09 H HETATM 2068 H1 A A 60 64.673 52.321 12.482 1.00 0.20 H HETATM 2069 H2 A A 60 65.022 50.877 13.191 1.00 0.20 H HETATM 2070 H3 A A 60 65.874 51.374 11.873 1.00 0.20 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 893 894 899 900 901 CONECT 900 893 CONECT 901 893 CONECT 1977 1978 2068 2069 2070 CONECT 1978 1977 1979 1983 2067 CONECT 1979 1978 1980 2065 2066 CONECT 1980 1979 1981 2063 2064 CONECT 1981 1980 1982 1988 2062 CONECT 1982 1981 1983 1986 1987 CONECT 1983 1978 1982 1984 1985 CONECT 1984 1983 CONECT 1985 1983 CONECT 1986 1982 CONECT 1987 1982 CONECT 1988 1981 1989 1990 1991 CONECT 1989 1988 CONECT 1990 1988 CONECT 1991 1988 1992 2011 CONECT 1992 1991 1993 2009 2010 CONECT 1993 1992 1994 2001 2008 CONECT 1994 1993 1995 1999 2000 CONECT 1995 1994 1996 1997 1998 CONECT 1996 1995 CONECT 1997 1995 CONECT 1998 1995 CONECT 1999 1994 CONECT 2000 1994 CONECT 2001 1993 2002 2006 2007 CONECT 2002 2001 2003 2004 2005 CONECT 2003 2002 CONECT 2004 2002 CONECT 2005 2002 CONECT 2006 2001 CONECT 2007 2001 CONECT 2008 1993 CONECT 2009 1992 CONECT 2010 1992 CONECT 2011 1991 2012 2060 2061 CONECT 2012 2011 2013 2015 2059 CONECT 2013 2012 2014 CONECT 2014 2013 CONECT 2015 2012 2016 2038 2058 CONECT 2016 2015 2017 2037 CONECT 2017 2016 2018 2019 CONECT 2018 2017 CONECT 2019 2017 2020 CONECT 2020 2019 2021 2027 2036 CONECT 2021 2020 2022 2034 2035 CONECT 2022 2021 2023 CONECT 2023 2022 2024 2027 2033 CONECT 2024 2023 2025 CONECT 2025 2024 2026 2031 2032 CONECT 2026 2025 2027 2029 2030 CONECT 2027 2020 2023 2026 2028 CONECT 2028 2027 CONECT 2029 2026 CONECT 2030 2026 CONECT 2031 2025 CONECT 2032 2025 CONECT 2033 2023 CONECT 2034 2021 CONECT 2035 2021 CONECT 2036 2020 CONECT 2037 2016 CONECT 2038 2015 2039 2056 2057 CONECT 2039 2038 2040 2044 2055 CONECT 2040 2039 2041 2053 2054 CONECT 2041 2040 2042 2051 2052 CONECT 2042 2041 2043 2049 2050 CONECT 2043 2042 2044 2047 2048 CONECT 2044 2039 2043 2045 2046 CONECT 2045 2044 CONECT 2046 2044 CONECT 2047 2043 CONECT 2048 2043 CONECT 2049 2042 CONECT 2050 2042 CONECT 2051 2041 CONECT 2052 2041 CONECT 2053 2040 CONECT 2054 2040 CONECT 2055 2039 CONECT 2056 2038 CONECT 2057 2038 CONECT 2058 2015 CONECT 2059 2012 CONECT 2060 2011 CONECT 2061 2011 CONECT 2062 1981 CONECT 2063 1980 CONECT 2064 1980 CONECT 2065 1979 CONECT 2066 1979 CONECT 2067 1978 CONECT 2068 1977 CONECT 2069 1977 CONECT 2070 1977 MASTER 0 0 0 0 0 0 0 0 2068 2 100 16 END
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Structure:
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Related entries of code: 6dh5
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
1eby
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99aa, >1EBY_1|Chains... at 90%
1hxw
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PDBbind
99aa, >1HXW_1|Chains... at 90%
1izh
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PDBbind
99aa, >1IZH_1|Chains... at 90%
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99aa, >1K6C_1|Chains... at 91%
1k6p
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99aa, >1K6P_1|Chains... at 91%
1k6t
RCSB PDB
PDBbind
99aa, >1K6T_1|Chains... at 91%
1k6v
RCSB PDB
PDBbind
99aa, >1K6V_1|Chains... at 91%
1pro
RCSB PDB
PDBbind
99aa, >1PRO_1|Chains... at 90%
1sbg
RCSB PDB
PDBbind
99aa, >1SBG_1|Chains... at 90%
1t7j
RCSB PDB
PDBbind
99aa, >1T7J_1|Chains... at 91%
1vij
RCSB PDB
PDBbind
99aa, >1VIJ_1|Chains... at 90%
1vik
RCSB PDB
PDBbind
99aa, >1VIK_1|Chains... at 90%
1zp8
RCSB PDB
PDBbind
99aa, >1ZP8_1|Chain... at 90%
1zpa
RCSB PDB
PDBbind
99aa, >1ZPA_1|Chain... at 90%
2az8
RCSB PDB
PDBbind
99aa, >2AZ8_1|Chain... at 91%
2az9
RCSB PDB
PDBbind
99aa, >2AZ9_1|Chain... at 90%
2i4d
RCSB PDB
PDBbind
99aa, >2I4D_1|Chains... at 90%
2i4u
RCSB PDB
PDBbind
99aa, >2I4U_1|Chains... at 90%
2i4w
RCSB PDB
PDBbind
99aa, >2I4W_1|Chains... at 90%
2o4k
RCSB PDB
PDBbind
99aa, >2O4K_1|Chains... at 90%
2o4p
RCSB PDB
PDBbind
99aa, >2O4P_1|Chains... at 90%
2o4s
RCSB PDB
PDBbind
99aa, >2O4S_1|Chains... at 90%
2p3b
RCSB PDB
PDBbind
99aa, >2P3B_2|Chain... at 90%
3ekp
RCSB PDB
PDBbind
99aa, >3EKP_1|Chains... at 90%
3ekq
RCSB PDB
PDBbind
99aa, >3EKQ_1|Chains... at 90%
3ekt
RCSB PDB
PDBbind
99aa, >3EKT_1|Chains... at 90%
3ekw
RCSB PDB
PDBbind
99aa, >3EKW_1|Chains... at 90%
3el0
RCSB PDB
PDBbind
99aa, >3EL0_1|Chains... at 90%
3el4
RCSB PDB
PDBbind
99aa, >3EL4_1|Chains... at 92%
3el5
RCSB PDB
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3kfn
RCSB PDB
PDBbind
99aa, >3KFN_1|Chains... at 91%
3m9f
RCSB PDB
PDBbind
99aa, >3M9F_1|Chains... at 90%
3tlh
RCSB PDB
PDBbind
99aa, >3TLH_1|Chain... at 90%
4eqj
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PDBbind
203aa, >4EQJ_1|Chain... *
4ll3
RCSB PDB
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99aa, >4LL3_1|Chains... at 90%
4phv
RCSB PDB
PDBbind
99aa, >4PHV_1|Chains... at 90%
5hvp
RCSB PDB
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99aa, >5HVP_1|Chains... at 90%
5ivs
RCSB PDB
PDBbind
99aa, >5IVS_1|Chains... at 90%
6dgx
RCSB PDB
PDBbind
99aa, >6DGX_1|Chains... at 91%
6dgy
RCSB PDB
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99aa, >6DGY_1|Chains... at 91%
6dgz
RCSB PDB
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99aa, >6DGZ_1|Chains... at 91%
6dh0
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PDBbind
99aa, >6DH0_1|Chains... at 90%
6dh1
RCSB PDB
PDBbind
99aa, >6DH1_1|Chains... at 90%
6dh2
RCSB PDB
PDBbind
99aa, >6DH2_1|Chains... at 90%
6dh3
RCSB PDB
PDBbind
99aa, >6DH3_1|Chains... at 90%
6dh4
RCSB PDB
PDBbind
99aa, >6DH4_1|Chains... at 90%
6dh6
RCSB PDB
PDBbind
99aa, >6DH6_1|Chains... at 90%
6dh7
RCSB PDB
PDBbind
99aa, >6DH7_1|Chains... at 90%
6dh8
RCSB PDB
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99aa, >6DH8_1|Chains... at 90%
9hvp
RCSB PDB
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6oy2
RCSB PDB
PDBbind
99aa, >6OY2_1|Chains... at 91%
6oy0
RCSB PDB
PDBbind
99aa, >6OY0_1|Chains... at 91%
6oxz
RCSB PDB
PDBbind
99aa, >6OXZ_1|Chains... at 91%
6oxy
RCSB PDB
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99aa, >6OXY_1|Chains... at 91%
6oxx
RCSB PDB
PDBbind
99aa, >6OXX_1|Chains... at 91%
6oxw
RCSB PDB
PDBbind
99aa, >6OXW_1|Chains... at 91%
6oxv
RCSB PDB
PDBbind
99aa, >6OXV_1|Chains... at 91%
6oxu
RCSB PDB
PDBbind
99aa, >6OXU_1|Chains... at 91%
6oxt
RCSB PDB
PDBbind
99aa, >6OXT_1|Chains... at 91%
6oxs
RCSB PDB
PDBbind
99aa, >6OXS_1|Chains... at 91%
6oxr
RCSB PDB
PDBbind
99aa, >6OXR_1|Chains... at 91%
6oxq
RCSB PDB
PDBbind
99aa, >6OXQ_1|Chains... at 91%
6oxp
RCSB PDB
PDBbind
99aa, >6OXP_1|Chains... at 91%
6oou
RCSB PDB
PDBbind
99aa, >6OOU_1|Chains... at 90%
6oos
RCSB PDB
PDBbind
99aa, >6OOS_1|Chains... at 90%
6oy1
RCSB PDB
PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
3o9e
RCSB PDB
PDBbind
A60
6dgz
RCSB PDB
PDBbind
A60
6dh2
RCSB PDB
PDBbind
A60
6dh8
RCSB PDB
PDBbind
A60
Entry Information
PDB ID
6dh5
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
HIV-1 Protease V82I Mutant
Ligand Name
A60
EC.Number
E.C.-.-.-.-
Resolution
2.01(Å)
Affinity (Kd/Ki/IC50)
Ki=5pM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) ACS Infect Dis Vol. 5: pp. 316-325
Ligand Properties
Formula
C
2
9
H
5
4
N
3
O
7
S
Molecular Weight
588.820
Exact Mass
588.368
No. of atoms
94
No. of bonds
97
Polar Surface Area
150.42
LOGP Value
4.31 (
Computed with XLOGP3
)
4.27 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 16
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 4
Canonical SMILES
CCC(CN(S(=O)(=O)[C@@H]1CC[C@@H](CC1)[NH3+])C[C@H]([C@@H](NC(=O)O[C@H]1CO[C@@H]2[C@H]1CCO2)CC1CCCCC1)O)CC
InChI String
InChI=1S/C29H53N3O7S/c1-3-20(4-2)17-32(40(35,36)23-12-10-22(30)11-13-23)18-26(33)25(16-21-8-6-5-7-9-21)31-29(34)39-27-19-38-28-24(27)14-15-37-28/h20-28,33H,3-19,30H2,1-2H3,(H,31,34)/p+1/t22-,23+,24-,25-,26+,27-,28+/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q6B6C5
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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