Browse entries in the PDBbind-CN Database
HEADER 6OXZ_COMPLEX COMPND 6OXZ_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 VAL 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 VAL ASN ILE ILE GLY ARG ASN LEU LEU THR SEQRES 8 B 99 GLN ILE GLY CYS THR LEU ASN PHE HET NJG A 404 84 ATOM 1 N PRO A 1 79.711 64.957 -3.081 1.00 30.83 N ATOM 2 CA PRO A 1 78.736 64.267 -3.927 1.00 28.15 C ATOM 3 C PRO A 1 77.309 64.395 -3.410 1.00 25.17 C ATOM 4 O PRO A 1 77.096 64.878 -2.299 1.00 20.94 O ATOM 5 CB PRO A 1 79.198 62.813 -3.861 1.00 40.71 C ATOM 6 CG PRO A 1 79.757 62.687 -2.485 1.00 38.71 C ATOM 7 CD PRO A 1 80.390 64.024 -2.164 1.00 35.43 C ATOM 8 HN2 PRO A 1 79.219 65.683 -2.521 1.00 0.00 H ATOM 9 HN1 PRO A 1 80.423 65.412 -3.688 1.00 0.00 H ATOM 10 N GLN A 2 76.344 63.970 -4.220 1.00 22.78 N ATOM 11 CA GLN A 2 74.960 63.829 -3.789 1.00 19.07 C ATOM 12 C GLN A 2 74.714 62.357 -3.484 1.00 26.18 C ATOM 13 O GLN A 2 74.947 61.495 -4.339 1.00 23.42 O ATOM 14 CB GLN A 2 73.994 64.337 -4.860 1.00 22.99 C ATOM 15 CG GLN A 2 72.526 64.143 -4.512 1.00 24.39 C ATOM 16 CD GLN A 2 71.607 65.012 -5.351 1.00 33.93 C ATOM 17 OE1 GLN A 2 71.130 66.051 -4.894 1.00 24.27 O ATOM 18 NE2 GLN A 2 71.353 64.589 -6.584 1.00 26.69 N ATOM 19 HE22 GLN A 2 71.778 63.705 -6.928 1.00 0.00 H ATOM 20 HE21 GLN A 2 70.729 65.142 -7.205 1.00 0.00 H ATOM 21 H GLN A 2 76.588 63.728 -5.202 1.00 0.00 H ATOM 22 N ILE A 3 74.259 62.072 -2.268 1.00 20.53 N ATOM 23 CA ILE A 3 74.102 60.707 -1.779 1.00 19.56 C ATOM 24 C ILE A 3 72.617 60.432 -1.599 1.00 20.30 C ATOM 25 O ILE A 3 71.960 61.057 -0.757 1.00 18.47 O ATOM 26 CB ILE A 3 74.863 60.489 -0.462 1.00 19.31 C ATOM 27 CG1 ILE A 3 76.361 60.737 -0.667 1.00 21.15 C ATOM 28 CG2 ILE A 3 74.609 59.078 0.077 1.00 18.61 C ATOM 29 CD1 ILE A 3 77.185 60.683 0.607 1.00 27.81 C ATOM 30 H ILE A 3 74.003 62.858 -1.637 1.00 0.00 H ATOM 31 N THR A 4 72.091 59.495 -2.382 1.00 15.79 N ATOM 32 CA THR A 4 70.734 59.023 -2.170 1.00 11.32 C ATOM 33 C THR A 4 70.715 58.014 -1.023 1.00 12.20 C ATOM 34 O THR A 4 71.754 57.518 -0.575 1.00 18.16 O ATOM 35 CB THR A 4 70.170 58.406 -3.451 1.00 20.35 C ATOM 36 OG1 THR A 4 70.993 57.310 -3.866 1.00 21.34 O ATOM 37 CG2 THR A 4 70.116 59.447 -4.564 1.00 22.54 C ATOM 38 HG1 THR A 4 70.622 56.916 -4.695 1.00 0.00 H ATOM 39 H THR A 4 72.659 59.095 -3.156 1.00 0.00 H ATOM 40 N LEU A 5 69.508 57.705 -0.543 1.00 15.39 N ATOM 41 CA LEU A 5 69.344 56.982 0.713 1.00 17.63 C ATOM 42 C LEU A 5 68.594 55.664 0.547 1.00 22.74 C ATOM 43 O LEU A 5 68.002 55.167 1.509 1.00 14.91 O ATOM 44 CB LEU A 5 68.642 57.880 1.733 1.00 11.83 C ATOM 45 CG LEU A 5 69.430 59.155 2.060 1.00 11.20 C ATOM 46 CD1 LEU A 5 68.590 60.129 2.877 1.00 13.25 C ATOM 47 CD2 LEU A 5 70.724 58.824 2.796 1.00 16.63 C ATOM 48 H LEU A 5 68.663 57.987 -1.079 1.00 0.00 H ATOM 49 N TRP A 6 68.619 55.077 -0.650 1.00 16.91 N ATOM 50 CA TRP A 6 68.080 53.732 -0.821 1.00 17.67 C ATOM 51 C TRP A 6 68.970 52.692 -0.152 1.00 17.39 C ATOM 52 O TRP A 6 68.493 51.614 0.219 1.00 18.52 O ATOM 53 CB TRP A 6 67.916 53.425 -2.309 1.00 21.97 C ATOM 54 CG TRP A 6 67.211 54.518 -3.047 1.00 26.10 C ATOM 55 CD1 TRP A 6 67.787 55.535 -3.754 1.00 25.43 C ATOM 56 CD2 TRP A 6 65.798 54.717 -3.137 1.00 23.94 C ATOM 57 NE1 TRP A 6 66.817 56.351 -4.283 1.00 29.71 N ATOM 58 CE2 TRP A 6 65.587 55.869 -3.919 1.00 27.28 C ATOM 59 CE3 TRP A 6 64.689 54.030 -2.634 1.00 31.23 C ATOM 60 CZ2 TRP A 6 64.315 56.349 -4.209 1.00 22.63 C ATOM 61 CZ3 TRP A 6 63.427 54.507 -2.926 1.00 27.02 C ATOM 62 CH2 TRP A 6 63.250 55.656 -3.706 1.00 42.07 C ATOM 63 HE1 TRP A 6 66.988 57.196 -4.864 1.00 0.00 H ATOM 64 H TRP A 6 69.024 55.580 -1.465 1.00 0.00 H ATOM 65 N LYS A 7 70.256 52.995 0.004 1.00 14.31 N ATOM 66 CA LYS A 7 71.184 52.170 0.758 1.00 16.80 C ATOM 67 C LYS A 7 71.752 52.984 1.913 1.00 14.77 C ATOM 68 O LYS A 7 71.658 54.214 1.936 1.00 16.65 O ATOM 69 CB LYS A 7 72.322 51.654 -0.134 1.00 23.83 C ATOM 70 H LYS A 7 70.615 53.866 -0.436 1.00 0.00 H ATOM 71 N ARG A 8 72.339 52.285 2.879 1.00 13.98 N ATOM 72 CA ARG A 8 72.958 52.968 4.004 1.00 16.36 C ATOM 73 C ARG A 8 74.055 53.904 3.499 1.00 18.54 C ATOM 74 O ARG A 8 74.869 53.506 2.658 1.00 14.96 O ATOM 75 CB ARG A 8 73.547 51.958 4.991 1.00 15.35 C ATOM 76 CG ARG A 8 72.503 51.184 5.773 1.00 21.98 C ATOM 77 CD ARG A 8 73.126 50.042 6.552 1.00 32.76 C ATOM 78 NE ARG A 8 72.143 49.367 7.395 1.00 44.39 N ATOM 79 CZ ARG A 8 72.227 48.099 7.788 1.00 72.41 C ATOM 80 NH1 ARG A 8 73.247 47.340 7.410 1.00 65.49 N ATOM 81 NH2 ARG A 8 71.278 47.585 8.557 1.00 58.85 N ATOM 82 HE ARG A 8 71.319 49.917 7.711 1.00 0.00 H ATOM 83 HH12 ARG A 8 73.303 46.350 7.723 1.00 0.00 H ATOM 84 HH11 ARG A 8 73.991 47.735 6.800 1.00 0.00 H ATOM 85 HH22 ARG A 8 71.340 46.594 8.867 1.00 0.00 H ATOM 86 HH21 ARG A 8 70.472 48.173 8.851 1.00 0.00 H ATOM 87 H ARG A 8 72.356 51.246 2.830 1.00 0.00 H ATOM 88 N PRO A 9 74.105 55.156 3.975 1.00 11.56 N ATOM 89 CA PRO A 9 75.183 56.074 3.540 1.00 11.03 C ATOM 90 C PRO A 9 76.524 55.760 4.195 1.00 16.27 C ATOM 91 O PRO A 9 77.047 56.499 5.041 1.00 11.68 O ATOM 92 CB PRO A 9 74.630 57.442 3.949 1.00 10.37 C ATOM 93 CG PRO A 9 73.767 57.158 5.122 1.00 11.27 C ATOM 94 CD PRO A 9 73.120 55.838 4.833 1.00 12.62 C ATOM 95 N LEU A 10 77.108 54.634 3.790 1.00 11.71 N ATOM 96 CA LEU A 10 78.403 54.198 4.295 1.00 15.88 C ATOM 97 C LEU A 10 79.514 54.796 3.442 1.00 20.01 C ATOM 98 O LEU A 10 79.443 54.774 2.209 1.00 21.68 O ATOM 99 CB LEU A 10 78.498 52.671 4.294 1.00 22.38 C ATOM 100 CG LEU A 10 77.562 51.976 5.283 1.00 17.67 C ATOM 101 CD1 LEU A 10 77.394 50.508 4.928 1.00 29.71 C ATOM 102 CD2 LEU A 10 78.093 52.127 6.700 1.00 14.42 C ATOM 103 H LEU A 10 76.621 54.043 3.086 1.00 0.00 H ATOM 104 N VAL A 11 80.539 55.330 4.105 1.00 15.09 N ATOM 105 CA VAL A 11 81.678 55.931 3.426 1.00 14.46 C ATOM 106 C VAL A 11 82.956 55.487 4.120 1.00 15.81 C ATOM 107 O VAL A 11 82.950 55.046 5.271 1.00 15.98 O ATOM 108 CB VAL A 11 81.603 57.476 3.398 1.00 18.74 C ATOM 109 CG1 VAL A 11 80.347 57.931 2.673 1.00 21.88 C ATOM 110 CG2 VAL A 11 81.649 58.052 4.811 1.00 19.19 C ATOM 111 H VAL A 11 80.525 55.317 5.145 1.00 0.00 H ATOM 112 N THR A 12 84.062 55.613 3.397 1.00 15.83 N ATOM 113 CA THR A 12 85.378 55.315 3.939 1.00 18.82 C ATOM 114 C THR A 12 85.915 56.549 4.650 1.00 13.45 C ATOM 115 O THR A 12 85.852 57.661 4.114 1.00 17.59 O ATOM 116 CB THR A 12 86.334 54.882 2.826 1.00 27.34 C ATOM 117 OG1 THR A 12 85.785 53.750 2.141 1.00 18.13 O ATOM 118 CG2 THR A 12 87.699 54.515 3.391 1.00 23.22 C ATOM 119 HG1 THR A 12 86.404 53.470 1.421 1.00 0.00 H ATOM 120 H THR A 12 83.985 55.935 2.411 1.00 0.00 H ATOM 121 N ILE A 13 86.428 56.351 5.862 1.00 11.01 N ATOM 122 CA ILE A 13 87.056 57.415 6.629 1.00 11.43 C ATOM 123 C ILE A 13 88.508 57.032 6.878 1.00 15.47 C ATOM 124 O ILE A 13 88.891 55.862 6.799 1.00 13.68 O ATOM 125 CB ILE A 13 86.330 57.690 7.964 1.00 13.44 C ATOM 126 CG1 ILE A 13 86.374 56.457 8.873 1.00 14.67 C ATOM 127 CG2 ILE A 13 84.887 58.100 7.700 1.00 16.98 C ATOM 128 CD1 ILE A 13 85.984 56.737 10.307 1.00 15.80 C ATOM 129 H ILE A 13 86.378 55.399 6.277 1.00 0.00 H ATOM 130 N LYS A 14 89.317 58.041 7.187 1.00 18.75 N ATOM 131 CA LYS A 14 90.705 57.846 7.587 1.00 14.53 C ATOM 132 C LYS A 14 90.908 58.523 8.933 1.00 19.82 C ATOM 133 O LYS A 14 90.659 59.726 9.070 1.00 20.41 O ATOM 134 CB LYS A 14 91.672 58.411 6.543 1.00 21.09 C ATOM 135 H LYS A 14 88.944 59.011 7.141 1.00 0.00 H ATOM 136 N ILE A 15 91.343 57.751 9.923 1.00 16.44 N ATOM 137 CA ILE A 15 91.584 58.271 11.263 1.00 21.88 C ATOM 138 C ILE A 15 92.744 57.499 11.874 1.00 29.28 C ATOM 139 O ILE A 15 92.824 56.273 11.750 1.00 21.46 O ATOM 140 CB ILE A 15 90.316 58.179 12.142 1.00 18.73 C ATOM 141 CG1 ILE A 15 90.581 58.807 13.511 1.00 24.45 C ATOM 142 CG2 ILE A 15 89.857 56.727 12.266 1.00 21.68 C ATOM 143 CD1 ILE A 15 89.370 58.867 14.417 1.00 28.29 C ATOM 144 H ILE A 15 91.517 56.743 9.736 1.00 0.00 H ATOM 145 N GLY A 16 93.644 58.224 12.534 1.00 27.58 N ATOM 146 CA GLY A 16 94.828 57.603 13.102 1.00 24.55 C ATOM 147 C GLY A 16 95.678 56.879 12.083 1.00 25.38 C ATOM 148 O GLY A 16 96.408 55.948 12.440 1.00 27.44 O ATOM 149 H GLY A 16 93.498 59.248 12.644 1.00 0.00 H ATOM 150 N GLY A 17 95.600 57.281 10.816 1.00 22.44 N ATOM 151 CA GLY A 17 96.344 56.628 9.761 1.00 30.77 C ATOM 152 C GLY A 17 95.741 55.335 9.266 1.00 32.07 C ATOM 153 O GLY A 17 96.392 54.623 8.492 1.00 29.91 O ATOM 154 H GLY A 17 94.987 58.087 10.578 1.00 0.00 H ATOM 155 N GLN A 18 94.520 55.010 9.681 1.00 23.65 N ATOM 156 CA GLN A 18 93.872 53.754 9.333 1.00 22.26 C ATOM 157 C GLN A 18 92.550 54.036 8.634 1.00 23.63 C ATOM 158 O GLN A 18 91.823 54.963 9.009 1.00 23.59 O ATOM 159 CB GLN A 18 93.633 52.902 10.584 1.00 26.61 C ATOM 160 CG GLN A 18 93.067 51.521 10.306 1.00 42.59 C ATOM 161 CD GLN A 18 92.878 50.712 11.574 1.00 37.81 C ATOM 162 OE1 GLN A 18 92.253 51.171 12.529 1.00 37.30 O ATOM 163 NE2 GLN A 18 93.428 49.503 11.593 1.00 39.76 N ATOM 164 HE22 GLN A 18 93.948 49.155 10.762 1.00 0.00 H ATOM 165 HE21 GLN A 18 93.339 48.904 12.439 1.00 0.00 H ATOM 166 H GLN A 18 94.004 55.684 10.282 1.00 0.00 H ATOM 167 N LEU A 19 92.245 53.236 7.616 1.00 18.08 N ATOM 168 CA LEU A 19 90.984 53.351 6.901 1.00 17.52 C ATOM 169 C LEU A 19 89.905 52.547 7.612 1.00 24.27 C ATOM 170 O LEU A 19 90.167 51.470 8.153 1.00 26.34 O ATOM 171 CB LEU A 19 91.120 52.862 5.458 1.00 20.46 C ATOM 172 CG LEU A 19 92.081 53.614 4.535 1.00 30.36 C ATOM 173 CD1 LEU A 19 91.907 53.116 3.109 1.00 27.47 C ATOM 174 CD2 LEU A 19 91.872 55.122 4.604 1.00 27.57 C ATOM 175 H LEU A 19 92.927 52.508 7.323 1.00 0.00 H ATOM 176 N LYS A 20 88.688 53.084 7.606 1.00 17.32 N ATOM 177 CA LYS A 20 87.541 52.412 8.194 1.00 17.85 C ATOM 178 C LYS A 20 86.302 52.780 7.393 1.00 16.63 C ATOM 179 O LYS A 20 86.308 53.718 6.593 1.00 16.78 O ATOM 180 CB LYS A 20 87.354 52.795 9.667 1.00 21.26 C ATOM 181 CG LYS A 20 88.415 52.250 10.605 1.00 26.09 C ATOM 182 CD LYS A 20 88.278 52.862 11.990 1.00 22.99 C ATOM 183 CE LYS A 20 89.092 52.101 13.019 1.00 35.89 C ATOM 184 NZ LYS A 20 88.502 50.770 13.323 1.00 27.67 N ATOM 185 HZ1 LYS A 20 87.540 50.896 13.698 1.00 0.00 H ATOM 186 HZ2 LYS A 20 88.465 50.202 12.453 1.00 0.00 H ATOM 187 HZ3 LYS A 20 89.090 50.285 14.030 1.00 0.00 H ATOM 188 H LYS A 20 88.553 54.016 7.166 1.00 0.00 H ATOM 189 N GLU A 21 85.235 52.022 7.614 1.00 15.19 N ATOM 190 CA GLU A 21 83.923 52.348 7.077 1.00 16.42 C ATOM 191 C GLU A 21 83.061 52.929 8.188 1.00 10.56 C ATOM 192 O GLU A 21 83.115 52.469 9.333 1.00 12.86 O ATOM 193 CB GLU A 21 83.249 51.110 6.481 1.00 24.42 C ATOM 194 CG GLU A 21 81.948 51.405 5.755 1.00 26.61 C ATOM 195 CD GLU A 21 81.381 50.182 5.062 1.00 36.47 C ATOM 196 OE1 GLU A 21 81.052 49.201 5.761 1.00 32.31 O ATOM 197 OE2 GLU A 21 81.274 50.198 3.817 1.00 35.76 O ATOM 198 H GLU A 21 85.341 51.164 8.192 1.00 0.00 H ATOM 199 N ALA A 22 82.268 53.942 7.849 1.00 14.76 N ATOM 200 CA ALA A 22 81.433 54.606 8.838 1.00 14.78 C ATOM 201 C ALA A 22 80.150 55.087 8.176 1.00 12.05 C ATOM 202 O ALA A 22 80.081 55.266 6.958 1.00 13.73 O ATOM 203 CB ALA A 22 82.168 55.776 9.501 1.00 16.51 C ATOM 204 H ALA A 22 82.245 54.265 6.861 1.00 0.00 H ATOM 205 N LEU A 23 79.135 55.302 9.007 1.00 10.54 N ATOM 206 CA LEU A 23 77.798 55.659 8.552 1.00 9.30 C ATOM 207 C LEU A 23 77.575 57.151 8.766 1.00 9.54 C ATOM 208 O LEU A 23 77.735 57.650 9.885 1.00 13.06 O ATOM 209 CB LEU A 23 76.751 54.844 9.312 1.00 13.65 C ATOM 210 CG LEU A 23 75.276 55.040 8.957 1.00 13.87 C ATOM 211 CD1 LEU A 23 74.971 54.502 7.573 1.00 15.78 C ATOM 212 CD2 LEU A 23 74.398 54.357 9.995 1.00 22.87 C ATOM 213 H LEU A 23 79.303 55.211 10.029 1.00 0.00 H ATOM 214 N LEU A 24 77.216 57.859 7.695 1.00 11.38 N ATOM 215 CA LEU A 24 76.821 59.257 7.817 1.00 9.58 C ATOM 216 C LEU A 24 75.459 59.325 8.495 1.00 10.36 C ATOM 217 O LEU A 24 74.456 58.850 7.950 1.00 13.65 O ATOM 218 CB LEU A 24 76.787 59.924 6.445 1.00 12.38 C ATOM 219 CG LEU A 24 78.099 59.888 5.654 1.00 16.96 C ATOM 220 CD1 LEU A 24 77.941 60.623 4.331 1.00 15.85 C ATOM 221 CD2 LEU A 24 79.254 60.478 6.450 1.00 13.79 C ATOM 222 H LEU A 24 77.218 57.407 6.758 1.00 0.00 H ATOM 223 N ASP A 25 75.424 59.918 9.688 1.00 7.38 N ATOM 224 CA ASP A 25 74.309 59.761 10.622 1.00 7.08 C ATOM 225 C ASP A 25 73.827 61.139 11.074 1.00 10.83 C ATOM 226 O ASP A 25 74.303 61.674 12.078 1.00 9.58 O ATOM 227 CB ASP A 25 74.755 58.896 11.797 1.00 10.51 C ATOM 228 CG ASP A 25 73.629 58.565 12.746 1.00 10.88 C ATOM 229 OD1 ASP A 25 72.527 59.133 12.598 1.00 10.52 O ATOM 230 OD2 ASP A 25 73.853 57.726 13.641 1.00 10.63 O ATOM 231 H ASP A 25 76.225 60.519 9.968 1.00 0.00 H ATOM 232 N THR A 26 72.862 61.703 10.342 1.00 10.32 N ATOM 233 CA THR A 26 72.364 63.033 10.675 1.00 11.34 C ATOM 234 C THR A 26 71.605 63.058 11.996 1.00 9.80 C ATOM 235 O THR A 26 71.427 64.138 12.570 1.00 11.10 O ATOM 236 CB THR A 26 71.468 63.563 9.550 1.00 11.06 C ATOM 237 OG1 THR A 26 70.406 62.636 9.294 1.00 9.82 O ATOM 238 CG2 THR A 26 72.279 63.774 8.278 1.00 12.26 C ATOM 239 HG1 THR A 26 69.866 62.520 10.115 1.00 0.00 H ATOM 240 H THR A 26 72.463 61.190 9.530 1.00 0.00 H ATOM 241 N GLY A 27 71.160 61.906 12.493 1.00 11.17 N ATOM 242 CA GLY A 27 70.506 61.828 13.784 1.00 10.89 C ATOM 243 C GLY A 27 71.432 61.766 14.976 1.00 12.36 C ATOM 244 O GLY A 27 70.961 61.695 16.115 1.00 11.14 O ATOM 245 H GLY A 27 71.285 61.035 11.938 1.00 0.00 H ATOM 246 N ALA A 28 72.743 61.787 14.753 1.00 8.79 N ATOM 247 CA ALA A 28 73.725 61.753 15.827 1.00 10.59 C ATOM 248 C ALA A 28 74.332 63.141 16.002 1.00 9.82 C ATOM 249 O ALA A 28 74.873 63.707 15.046 1.00 9.42 O ATOM 250 CB ALA A 28 74.817 60.728 15.522 1.00 14.03 C ATOM 251 H ALA A 28 73.081 61.829 13.770 1.00 0.00 H ATOM 252 N ASP A 29 74.235 63.689 17.218 1.00 13.41 N ATOM 253 CA ASP A 29 74.954 64.922 17.526 1.00 11.21 C ATOM 254 C ASP A 29 76.454 64.715 17.401 1.00 13.96 C ATOM 255 O ASP A 29 77.182 65.603 16.939 1.00 12.13 O ATOM 256 CB ASP A 29 74.644 65.400 18.945 1.00 10.95 C ATOM 257 CG ASP A 29 73.169 65.595 19.203 1.00 11.82 C ATOM 258 OD1 ASP A 29 72.384 65.704 18.238 1.00 13.52 O ATOM 259 OD2 ASP A 29 72.803 65.652 20.396 1.00 12.73 O ATOM 260 H ASP A 29 73.646 63.236 17.946 1.00 0.00 H ATOM 261 N ASP A 30 76.931 63.551 17.824 1.00 10.64 N ATOM 262 CA ASP A 30 78.344 63.295 18.019 1.00 10.52 C ATOM 263 C ASP A 30 78.780 62.116 17.163 1.00 11.41 C ATOM 264 O ASP A 30 77.963 61.341 16.659 1.00 14.61 O ATOM 265 CB ASP A 30 78.640 63.013 19.497 1.00 15.09 C ATOM 266 CG ASP A 30 78.115 64.102 20.412 1.00 15.04 C ATOM 267 OD1 ASP A 30 78.420 65.287 20.165 1.00 16.01 O ATOM 268 OD2 ASP A 30 77.381 63.772 21.368 1.00 22.22 O ATOM 269 H ASP A 30 76.257 62.785 18.026 1.00 0.00 H ATOM 270 N THR A 31 80.090 61.998 17.010 1.00 12.91 N ATOM 271 CA THR A 31 80.706 60.927 16.243 1.00 9.54 C ATOM 272 C THR A 31 81.193 59.852 17.205 1.00 15.42 C ATOM 273 O THR A 31 81.924 60.149 18.157 1.00 12.18 O ATOM 274 CB THR A 31 81.859 61.480 15.402 1.00 11.48 C ATOM 275 OG1 THR A 31 81.332 62.357 14.397 1.00 13.24 O ATOM 276 CG2 THR A 31 82.652 60.368 14.733 1.00 10.88 C ATOM 277 HG1 THR A 31 80.850 63.104 14.832 1.00 0.00 H ATOM 278 H THR A 31 80.707 62.704 17.459 1.00 0.00 H ATOM 279 N VAL A 32 80.773 58.611 16.967 1.00 13.32 N ATOM 280 CA VAL A 32 81.094 57.492 17.846 1.00 9.67 C ATOM 281 C VAL A 32 81.649 56.364 16.988 1.00 13.79 C ATOM 282 O VAL A 32 80.991 55.922 16.039 1.00 10.21 O ATOM 283 CB VAL A 32 79.871 57.009 18.644 1.00 9.62 C ATOM 284 CG1 VAL A 32 80.303 56.058 19.749 1.00 13.44 C ATOM 285 CG2 VAL A 32 79.103 58.192 19.221 1.00 17.12 C ATOM 286 H VAL A 32 80.194 58.433 16.122 1.00 0.00 H ATOM 287 N LEU A 33 82.851 55.899 17.323 1.00 12.06 N ATOM 288 CA LEU A 33 83.514 54.830 16.595 1.00 8.65 C ATOM 289 C LEU A 33 83.682 53.610 17.489 1.00 14.77 C ATOM 290 O LEU A 33 83.770 53.721 18.716 1.00 11.52 O ATOM 291 CB LEU A 33 84.889 55.273 16.078 1.00 15.12 C ATOM 292 CG LEU A 33 84.925 56.470 15.128 1.00 14.80 C ATOM 293 CD1 LEU A 33 86.338 56.671 14.602 1.00 20.71 C ATOM 294 CD2 LEU A 33 83.947 56.296 13.974 1.00 15.43 C ATOM 295 H LEU A 33 83.336 56.319 18.141 1.00 0.00 H ATOM 296 N GLU A 34 83.728 52.442 16.858 1.00 17.46 N ATOM 297 CA GLU A 34 83.930 51.202 17.583 1.00 14.04 C ATOM 298 C GLU A 34 85.325 51.169 18.202 1.00 17.55 C ATOM 299 O GLU A 34 86.215 51.946 17.843 1.00 14.51 O ATOM 300 CB GLU A 34 83.729 50.005 16.653 1.00 16.50 C ATOM 301 CG GLU A 34 82.307 49.882 16.126 1.00 17.47 C ATOM 302 CD GLU A 34 82.075 48.607 15.337 1.00 30.50 C ATOM 303 OE1 GLU A 34 82.534 48.530 14.177 1.00 20.44 O ATOM 304 OE2 GLU A 34 81.439 47.679 15.878 1.00 28.38 O ATOM 305 H GLU A 34 83.617 52.416 15.824 1.00 0.00 H ATOM 306 N GLU A 35 85.504 50.251 19.150 1.00 20.21 N ATOM 307 CA GLU A 35 86.752 50.155 19.898 1.00 19.37 C ATOM 308 C GLU A 35 87.952 50.169 18.961 1.00 15.21 C ATOM 309 O GLU A 35 87.996 49.430 17.976 1.00 16.71 O ATOM 310 CB GLU A 35 86.755 48.877 20.740 1.00 27.86 C ATOM 311 CG GLU A 35 87.986 48.721 21.618 1.00 39.65 C ATOM 312 CD GLU A 35 88.177 49.894 22.555 1.00 40.56 C ATOM 313 OE1 GLU A 35 87.162 50.454 23.022 1.00 47.64 O ATOM 314 OE2 GLU A 35 89.340 50.266 22.814 1.00 52.50 O ATOM 315 H GLU A 35 84.734 49.585 19.362 1.00 0.00 H ATOM 316 N MET A 36 88.928 51.018 19.278 1.00 18.73 N ATOM 317 CA MET A 36 90.128 51.147 18.463 1.00 23.03 C ATOM 318 C MET A 36 91.209 51.838 19.280 1.00 23.85 C ATOM 319 O MET A 36 90.933 52.464 20.307 1.00 17.41 O ATOM 320 CB MET A 36 89.855 51.937 17.178 1.00 29.59 C ATOM 321 CG MET A 36 89.571 53.419 17.412 1.00 22.51 C ATOM 322 SD MET A 36 89.341 54.369 15.899 1.00 25.32 S ATOM 323 CE MET A 36 90.961 54.220 15.147 1.00 20.39 C ATOM 324 H MET A 36 88.830 51.605 20.131 1.00 0.00 H ATOM 325 N ASN A 37 92.444 51.727 18.799 1.00 29.31 N ATOM 326 CA ASN A 37 93.575 52.426 19.395 1.00 37.29 C ATOM 327 C ASN A 37 93.770 53.771 18.705 1.00 35.52 C ATOM 328 O ASN A 37 93.855 53.838 17.474 1.00 27.26 O ATOM 329 CB ASN A 37 94.850 51.590 19.284 1.00 39.32 C ATOM 330 CG ASN A 37 94.811 50.349 20.150 1.00 34.16 C ATOM 331 OD1 ASN A 37 94.869 49.226 19.650 1.00 50.54 O ATOM 332 ND2 ASN A 37 94.716 50.545 21.461 1.00 33.37 N ATOM 333 HD22 ASN A 37 94.670 51.512 21.840 1.00 0.00 H ATOM 334 HD21 ASN A 37 94.688 49.731 22.108 1.00 0.00 H ATOM 335 H ASN A 37 92.608 51.121 17.970 1.00 0.00 H ATOM 336 N LEU A 38 93.834 54.838 19.501 1.00 20.54 N ATOM 337 CA LEU A 38 94.100 56.176 18.999 1.00 33.10 C ATOM 338 C LEU A 38 95.194 56.828 19.834 1.00 28.87 C ATOM 339 O LEU A 38 95.216 56.665 21.060 1.00 30.45 O ATOM 340 CB LEU A 38 92.839 57.055 19.041 1.00 34.44 C ATOM 341 CG LEU A 38 91.922 57.081 17.816 1.00 32.86 C ATOM 342 CD1 LEU A 38 90.728 57.987 18.086 1.00 27.63 C ATOM 343 CD2 LEU A 38 92.662 57.548 16.571 1.00 30.17 C ATOM 344 H LEU A 38 93.688 54.708 20.522 1.00 0.00 H ATOM 345 N PRO A 39 96.111 57.564 19.211 1.00 38.54 N ATOM 346 CA PRO A 39 97.143 58.259 19.986 1.00 34.88 C ATOM 347 C PRO A 39 96.623 59.545 20.610 1.00 31.49 C ATOM 348 O PRO A 39 95.704 60.190 20.102 1.00 40.66 O ATOM 349 CB PRO A 39 98.227 58.552 18.942 1.00 41.17 C ATOM 350 CG PRO A 39 97.481 58.667 17.662 1.00 36.19 C ATOM 351 CD PRO A 39 96.313 57.723 17.759 1.00 28.91 C ATOM 352 N GLY A 40 97.232 59.910 21.731 1.00 55.31 N ATOM 353 CA GLY A 40 96.900 61.131 22.438 1.00 56.29 C ATOM 354 C GLY A 40 96.093 60.855 23.696 1.00 46.17 C ATOM 355 O GLY A 40 95.765 59.715 24.031 1.00 33.78 O ATOM 356 H GLY A 40 97.977 59.296 22.118 1.00 0.00 H ATOM 357 N ARG A 41 95.776 61.942 24.392 1.00 40.97 N ATOM 358 CA ARG A 41 95.038 61.857 25.642 1.00 43.42 C ATOM 359 C ARG A 41 93.540 61.747 25.380 1.00 31.42 C ATOM 360 O ARG A 41 93.023 62.236 24.371 1.00 35.89 O ATOM 361 CB ARG A 41 95.323 63.079 26.515 1.00 44.37 C ATOM 362 H ARG A 41 96.063 62.875 24.034 1.00 0.00 H ATOM 363 N TRP A 42 92.844 61.092 26.306 1.00 31.20 N ATOM 364 CA TRP A 42 91.399 60.948 26.240 1.00 27.88 C ATOM 365 C TRP A 42 90.822 61.150 27.633 1.00 35.66 C ATOM 366 O TRP A 42 91.549 61.211 28.629 1.00 26.82 O ATOM 367 CB TRP A 42 90.989 59.578 25.682 1.00 28.48 C ATOM 368 CG TRP A 42 91.529 58.413 26.463 1.00 24.66 C ATOM 369 CD1 TRP A 42 92.706 57.758 26.248 1.00 26.12 C ATOM 370 CD2 TRP A 42 90.906 57.762 27.579 1.00 27.72 C ATOM 371 NE1 TRP A 42 92.857 56.742 27.160 1.00 29.55 N ATOM 372 CE2 TRP A 42 91.766 56.724 27.989 1.00 30.40 C ATOM 373 CE3 TRP A 42 89.708 57.958 28.271 1.00 29.55 C ATOM 374 CZ2 TRP A 42 91.465 55.884 29.060 1.00 28.39 C ATOM 375 CZ3 TRP A 42 89.411 57.122 29.335 1.00 35.52 C ATOM 376 CH2 TRP A 42 90.286 56.099 29.718 1.00 30.85 C ATOM 377 HE1 TRP A 42 93.667 56.092 27.213 1.00 0.00 H ATOM 378 H TRP A 42 93.353 60.667 27.107 1.00 0.00 H ATOM 379 N LYS A 43 89.496 61.258 27.694 1.00 23.57 N ATOM 380 CA LYS A 43 88.787 61.438 28.947 1.00 21.97 C ATOM 381 C LYS A 43 87.559 60.538 28.941 1.00 22.13 C ATOM 382 O LYS A 43 86.903 60.397 27.898 1.00 18.81 O ATOM 383 CB LYS A 43 88.361 62.897 29.153 1.00 23.91 C ATOM 384 H LYS A 43 88.949 61.212 26.811 1.00 0.00 H ATOM 385 N PRO A 44 87.226 59.912 30.071 1.00 29.70 N ATOM 386 CA PRO A 44 86.021 59.076 30.111 1.00 29.12 C ATOM 387 C PRO A 44 84.759 59.924 30.102 1.00 30.63 C ATOM 388 O PRO A 44 84.654 60.926 30.813 1.00 20.15 O ATOM 389 CB PRO A 44 86.168 58.301 31.424 1.00 31.53 C ATOM 390 CG PRO A 44 87.003 59.181 32.282 1.00 31.98 C ATOM 391 CD PRO A 44 87.945 59.901 31.358 1.00 24.92 C ATOM 392 N LYS A 45 83.795 59.511 29.283 1.00 17.00 N ATOM 393 CA LYS A 45 82.527 60.213 29.161 1.00 21.61 C ATOM 394 C LYS A 45 81.410 59.197 28.981 1.00 16.59 C ATOM 395 O LYS A 45 81.646 58.008 28.754 1.00 22.56 O ATOM 396 CB LYS A 45 82.540 61.198 27.986 1.00 25.12 C ATOM 397 CG LYS A 45 83.426 62.415 28.190 1.00 39.28 C ATOM 398 CD LYS A 45 82.745 63.486 29.033 1.00 28.11 C ATOM 399 CE LYS A 45 83.492 64.811 28.954 1.00 47.33 C ATOM 400 NZ LYS A 45 83.000 65.805 29.948 1.00 55.89 N ATOM 401 HZ1 LYS A 45 81.992 65.995 29.777 1.00 0.00 H ATOM 402 HZ2 LYS A 45 83.124 65.424 30.908 1.00 0.00 H ATOM 403 HZ3 LYS A 45 83.542 66.688 29.851 1.00 0.00 H ATOM 404 H LYS A 45 83.954 58.657 28.711 1.00 0.00 H ATOM 405 N MET A 46 80.179 59.687 29.091 1.00 14.34 N ATOM 406 CA MET A 46 78.984 58.901 28.837 1.00 15.69 C ATOM 407 C MET A 46 78.238 59.503 27.656 1.00 19.44 C ATOM 408 O MET A 46 78.230 60.722 27.467 1.00 23.63 O ATOM 409 CB MET A 46 78.060 58.875 30.058 1.00 18.96 C ATOM 410 CG MET A 46 78.713 58.396 31.341 1.00 27.63 C ATOM 411 SD MET A 46 79.155 56.650 31.309 1.00 31.47 S ATOM 412 CE MET A 46 77.543 55.884 31.145 1.00 24.17 C ATOM 413 H MET A 46 80.066 60.682 29.373 1.00 0.00 H ATOM 414 N ILE A 47 77.611 58.642 26.859 1.00 18.95 N ATOM 415 CA ILE A 47 76.751 59.090 25.770 1.00 20.96 C ATOM 416 C ILE A 47 75.536 58.177 25.708 1.00 18.92 C ATOM 417 O ILE A 47 75.645 56.962 25.901 1.00 15.40 O ATOM 418 CB ILE A 47 77.497 59.121 24.418 1.00 21.65 C ATOM 419 CG1 ILE A 47 76.620 59.786 23.354 1.00 28.32 C ATOM 420 CG2 ILE A 47 77.895 57.717 23.976 1.00 19.19 C ATOM 421 CD1 ILE A 47 77.385 60.673 22.405 1.00 35.03 C ATOM 422 H ILE A 47 77.738 57.622 27.017 1.00 0.00 H ATOM 423 N GLY A 48 74.375 58.769 25.443 1.00 15.34 N ATOM 424 CA GLY A 48 73.119 58.047 25.410 1.00 16.35 C ATOM 425 C GLY A 48 72.572 57.954 23.999 1.00 20.23 C ATOM 426 O GLY A 48 72.750 58.867 23.187 1.00 16.53 O ATOM 427 H GLY A 48 74.368 59.791 25.252 1.00 0.00 H ATOM 428 N GLY A 49 71.906 56.839 23.713 1.00 15.34 N ATOM 429 CA GLY A 49 71.251 56.608 22.447 1.00 16.07 C ATOM 430 C GLY A 49 69.857 56.045 22.658 1.00 16.97 C ATOM 431 O GLY A 49 69.221 56.261 23.693 1.00 14.38 O ATOM 432 H GLY A 49 71.854 56.095 24.438 1.00 0.00 H ATOM 433 N ILE A 50 69.392 55.296 21.656 1.00 12.08 N ATOM 434 CA ILE A 50 68.014 54.816 21.681 1.00 12.67 C ATOM 435 C ILE A 50 67.809 53.794 22.790 1.00 16.46 C ATOM 436 O ILE A 50 66.690 53.634 23.292 1.00 17.58 O ATOM 437 CB ILE A 50 67.619 54.238 20.308 1.00 15.34 C ATOM 438 CG1 ILE A 50 66.096 54.233 20.164 1.00 10.88 C ATOM 439 CG2 ILE A 50 68.177 52.823 20.123 1.00 22.69 C ATOM 440 CD1 ILE A 50 65.607 53.935 18.764 1.00 17.28 C ATOM 441 H ILE A 50 70.012 55.054 20.857 1.00 0.00 H ATOM 442 N GLY A 51 68.865 53.089 23.192 1.00 13.56 N ATOM 443 CA GLY A 51 68.723 51.979 24.115 1.00 19.61 C ATOM 444 C GLY A 51 69.301 52.212 25.496 1.00 23.29 C ATOM 445 O GLY A 51 69.253 51.318 26.345 1.00 19.52 O ATOM 446 H GLY A 51 69.810 53.339 22.837 1.00 0.00 H ATOM 447 N GLY A 52 69.842 53.404 25.743 1.00 17.44 N ATOM 448 CA GLY A 52 70.449 53.715 27.016 1.00 18.41 C ATOM 449 C GLY A 52 71.790 54.385 26.820 1.00 16.22 C ATOM 450 O GLY A 52 72.060 54.987 25.775 1.00 13.22 O ATOM 451 H GLY A 52 69.827 54.130 24.999 1.00 0.00 H ATOM 452 N PHE A 53 72.643 54.264 27.835 1.00 15.96 N ATOM 453 CA PHE A 53 73.910 54.975 27.888 1.00 14.92 C ATOM 454 C PHE A 53 75.077 53.998 27.903 1.00 16.21 C ATOM 455 O PHE A 53 74.978 52.890 28.442 1.00 14.05 O ATOM 456 CB PHE A 53 73.974 55.878 29.126 1.00 18.10 C ATOM 457 CG PHE A 53 73.099 57.091 29.029 1.00 20.57 C ATOM 458 CD1 PHE A 53 71.723 56.978 29.128 1.00 21.56 C ATOM 459 CD2 PHE A 53 73.652 58.344 28.832 1.00 19.23 C ATOM 460 CE1 PHE A 53 70.914 58.092 29.033 1.00 20.50 C ATOM 461 CE2 PHE A 53 72.847 59.464 28.738 1.00 20.16 C ATOM 462 CZ PHE A 53 71.476 59.336 28.839 1.00 22.26 C ATOM 463 H PHE A 53 72.392 53.634 28.624 1.00 0.00 H ATOM 464 N ILE A 54 76.190 54.427 27.306 1.00 12.96 N ATOM 465 CA ILE A 54 77.419 53.648 27.277 1.00 15.56 C ATOM 466 C ILE A 54 78.577 54.533 27.713 1.00 21.90 C ATOM 467 O ILE A 54 78.535 55.761 27.599 1.00 15.34 O ATOM 468 CB ILE A 54 77.710 53.048 25.881 1.00 13.75 C ATOM 469 CG1 ILE A 54 77.884 54.157 24.836 1.00 12.85 C ATOM 470 CG2 ILE A 54 76.602 52.084 25.486 1.00 16.33 C ATOM 471 CD1 ILE A 54 78.358 53.663 23.479 1.00 16.47 C ATOM 472 H ILE A 54 76.179 55.357 26.842 1.00 0.00 H ATOM 473 N LYS A 55 79.623 53.884 28.215 1.00 15.43 N ATOM 474 CA LYS A 55 80.877 54.563 28.493 1.00 20.16 C ATOM 475 C LYS A 55 81.693 54.678 27.215 1.00 15.87 C ATOM 476 O LYS A 55 81.787 53.727 26.434 1.00 16.57 O ATOM 477 CB LYS A 55 81.684 53.802 29.543 1.00 18.03 C ATOM 478 CG LYS A 55 81.060 53.766 30.927 1.00 26.28 C ATOM 479 CD LYS A 55 81.809 52.806 31.846 1.00 30.55 C ATOM 480 CE LYS A 55 83.309 53.091 31.867 1.00 44.84 C ATOM 481 NZ LYS A 55 84.035 52.245 32.851 1.00 56.88 N ATOM 482 HZ1 LYS A 55 83.661 52.425 33.804 1.00 0.00 H ATOM 483 HZ2 LYS A 55 83.902 51.242 32.609 1.00 0.00 H ATOM 484 HZ3 LYS A 55 85.048 52.478 32.825 1.00 0.00 H ATOM 485 H LYS A 55 79.542 52.866 28.413 1.00 0.00 H ATOM 486 N VAL A 56 82.292 55.850 27.006 1.00 13.20 N ATOM 487 CA VAL A 56 83.140 56.095 25.849 1.00 13.92 C ATOM 488 C VAL A 56 84.395 56.828 26.298 1.00 20.73 C ATOM 489 O VAL A 56 84.432 57.456 27.358 1.00 18.00 O ATOM 490 CB VAL A 56 82.416 56.908 24.751 1.00 21.59 C ATOM 491 CG1 VAL A 56 81.250 56.114 24.186 1.00 20.40 C ATOM 492 CG2 VAL A 56 81.941 58.249 25.296 1.00 19.08 C ATOM 493 H VAL A 56 82.148 56.617 27.694 1.00 0.00 H ATOM 494 N ARG A 57 85.433 56.730 25.474 1.00 16.62 N ATOM 495 CA ARG A 57 86.637 57.533 25.626 1.00 19.44 C ATOM 496 C ARG A 57 86.541 58.700 24.653 1.00 19.01 C ATOM 497 O ARG A 57 86.370 58.490 23.447 1.00 16.92 O ATOM 498 CB ARG A 57 87.893 56.705 25.356 1.00 21.64 C ATOM 499 CG ARG A 57 87.883 55.336 26.021 1.00 29.23 C ATOM 500 CD ARG A 57 89.272 54.713 26.058 1.00 34.12 C ATOM 501 NE ARG A 57 89.887 54.628 24.736 1.00 34.99 N ATOM 502 CZ ARG A 57 89.652 53.660 23.854 1.00 41.56 C ATOM 503 NH1 ARG A 57 90.265 53.671 22.679 1.00 42.51 N ATOM 504 NH2 ARG A 57 88.801 52.685 24.139 1.00 42.02 N ATOM 505 HE ARG A 57 90.556 55.377 24.465 1.00 0.00 H ATOM 506 HH12 ARG A 57 90.081 52.914 21.990 1.00 0.00 H ATOM 507 HH11 ARG A 57 90.930 54.436 22.446 1.00 0.00 H ATOM 508 HH22 ARG A 57 88.622 51.932 23.445 1.00 0.00 H ATOM 509 HH21 ARG A 57 88.312 52.673 25.057 1.00 0.00 H ATOM 510 H ARG A 57 85.383 56.051 24.688 1.00 0.00 H ATOM 511 N GLN A 58 86.634 59.922 25.172 1.00 14.37 N ATOM 512 CA GLN A 58 86.513 61.116 24.346 1.00 10.91 C ATOM 513 C GLN A 58 87.897 61.569 23.902 1.00 19.91 C ATOM 514 O GLN A 58 88.746 61.902 24.737 1.00 20.06 O ATOM 515 CB GLN A 58 85.805 62.243 25.097 1.00 12.35 C ATOM 516 CG GLN A 58 85.721 63.532 24.283 1.00 18.84 C ATOM 517 CD GLN A 58 84.872 64.604 24.939 1.00 25.16 C ATOM 518 OE1 GLN A 58 83.898 64.309 25.628 1.00 27.56 O ATOM 519 NE2 GLN A 58 85.237 65.862 24.717 1.00 28.48 N ATOM 520 HE22 GLN A 58 86.069 66.066 24.127 1.00 0.00 H ATOM 521 HE21 GLN A 58 84.691 66.643 25.133 1.00 0.00 H ATOM 522 H GLN A 58 86.797 60.027 26.194 1.00 0.00 H ATOM 523 N TYR A 59 88.118 61.578 22.590 1.00 15.54 N ATOM 524 CA TYR A 59 89.320 62.135 21.985 1.00 21.63 C ATOM 525 C TYR A 59 88.951 63.456 21.328 1.00 17.68 C ATOM 526 O TYR A 59 88.078 63.495 20.455 1.00 21.06 O ATOM 527 CB TYR A 59 89.917 61.178 20.956 1.00 21.33 C ATOM 528 CG TYR A 59 90.394 59.869 21.533 1.00 22.72 C ATOM 529 CD1 TYR A 59 89.507 58.828 21.766 1.00 21.38 C ATOM 530 CD2 TYR A 59 91.734 59.670 21.837 1.00 20.80 C ATOM 531 CE1 TYR A 59 89.939 57.628 22.291 1.00 19.28 C ATOM 532 CE2 TYR A 59 92.177 58.473 22.361 1.00 25.61 C ATOM 533 CZ TYR A 59 91.275 57.455 22.586 1.00 27.64 C ATOM 534 OH TYR A 59 91.710 56.260 23.110 1.00 22.88 O ATOM 535 HH TYR A 59 90.941 55.644 23.207 1.00 0.00 H ATOM 536 H TYR A 59 87.396 61.166 21.965 1.00 0.00 H ATOM 537 N ASP A 60 89.614 64.529 21.741 1.00 23.72 N ATOM 538 CA ASP A 60 89.338 65.856 21.214 1.00 23.00 C ATOM 539 C ASP A 60 90.333 66.220 20.120 1.00 26.93 C ATOM 540 O ASP A 60 91.476 65.755 20.111 1.00 21.67 O ATOM 541 CB ASP A 60 89.394 66.905 22.325 1.00 26.61 C ATOM 542 CG ASP A 60 88.260 66.761 23.319 1.00 35.82 C ATOM 543 OD1 ASP A 60 87.110 66.540 22.884 1.00 26.13 O ATOM 544 OD2 ASP A 60 88.517 66.866 24.535 1.00 43.94 O ATOM 545 H ASP A 60 90.354 64.417 22.464 1.00 0.00 H ATOM 546 N GLN A 61 89.875 67.057 19.189 1.00 20.34 N ATOM 547 CA GLN A 61 90.735 67.650 18.168 1.00 19.95 C ATOM 548 C GLN A 61 91.479 66.572 17.378 1.00 29.18 C ATOM 549 O GLN A 61 92.697 66.630 17.192 1.00 21.27 O ATOM 550 CB GLN A 61 91.707 68.643 18.808 1.00 25.09 C ATOM 551 CG GLN A 61 91.906 69.911 18.004 1.00 18.97 C ATOM 552 CD GLN A 61 92.711 70.951 18.754 1.00 24.09 C ATOM 553 OE1 GLN A 61 92.392 71.297 19.891 1.00 20.77 O ATOM 554 NE2 GLN A 61 93.763 71.453 18.122 1.00 18.13 N ATOM 555 HE22 GLN A 61 93.995 71.131 17.161 1.00 0.00 H ATOM 556 HE21 GLN A 61 94.356 72.169 18.587 1.00 0.00 H ATOM 557 H GLN A 61 88.863 67.298 19.190 1.00 0.00 H ATOM 558 N ILE A 62 90.726 65.584 16.902 1.00 19.73 N ATOM 559 CA ILE A 62 91.273 64.453 16.160 1.00 19.54 C ATOM 560 C ILE A 62 91.136 64.728 14.671 1.00 17.00 C ATOM 561 O ILE A 62 90.058 65.113 14.199 1.00 14.16 O ATOM 562 CB ILE A 62 90.558 63.144 16.541 1.00 14.22 C ATOM 563 CG1 ILE A 62 90.839 62.781 18.003 1.00 22.16 C ATOM 564 CG2 ILE A 62 90.963 62.000 15.607 1.00 21.72 C ATOM 565 CD1 ILE A 62 92.288 62.419 18.299 1.00 28.28 C ATOM 566 H ILE A 62 89.700 65.619 17.066 1.00 0.00 H ATOM 567 N LEU A 63 92.222 64.522 13.929 1.00 14.07 N ATOM 568 CA LEU A 63 92.165 64.593 12.475 1.00 18.36 C ATOM 569 C LEU A 63 91.424 63.381 11.926 1.00 22.31 C ATOM 570 O LEU A 63 91.741 62.238 12.269 1.00 21.01 O ATOM 571 CB LEU A 63 93.574 64.653 11.885 1.00 17.74 C ATOM 572 CG LEU A 63 94.249 66.022 11.779 1.00 26.46 C ATOM 573 CD1 LEU A 63 94.235 66.749 13.111 1.00 28.19 C ATOM 574 CD2 LEU A 63 95.676 65.859 11.272 1.00 29.68 C ATOM 575 H LEU A 63 93.126 64.307 14.395 1.00 0.00 H ATOM 576 N ILE A 64 90.438 63.630 11.072 1.00 15.71 N ATOM 577 CA ILE A 64 89.678 62.555 10.443 1.00 16.90 C ATOM 578 C ILE A 64 89.235 63.020 9.066 1.00 20.49 C ATOM 579 O ILE A 64 88.684 64.115 8.916 1.00 25.23 O ATOM 580 CB ILE A 64 88.467 62.128 11.297 1.00 22.71 C ATOM 581 CG1 ILE A 64 87.590 61.146 10.518 1.00 20.63 C ATOM 582 CG2 ILE A 64 87.662 63.346 11.732 1.00 23.15 C ATOM 583 CD1 ILE A 64 86.565 60.432 11.370 1.00 29.06 C ATOM 584 H ILE A 64 90.201 64.617 10.846 1.00 0.00 H ATOM 585 N GLU A 65 89.480 62.186 8.062 1.00 17.91 N ATOM 586 CA GLU A 65 89.115 62.474 6.683 1.00 18.90 C ATOM 587 C GLU A 65 87.914 61.619 6.303 1.00 22.05 C ATOM 588 O GLU A 65 87.935 60.397 6.487 1.00 22.48 O ATOM 589 CB GLU A 65 90.292 62.207 5.743 1.00 22.25 C ATOM 590 CG GLU A 65 90.017 62.541 4.287 1.00 31.54 C ATOM 591 CD GLU A 65 91.282 62.578 3.454 1.00 33.46 C ATOM 592 OE1 GLU A 65 92.310 62.040 3.913 1.00 17.24 O ATOM 593 OE2 GLU A 65 91.250 63.149 2.343 1.00 41.13 O ATOM 594 H GLU A 65 89.955 61.285 8.271 1.00 0.00 H ATOM 595 N ILE A 66 86.873 62.262 5.783 1.00 16.60 N ATOM 596 CA ILE A 66 85.594 61.615 5.510 1.00 19.27 C ATOM 597 C ILE A 66 85.315 61.751 4.021 1.00 16.55 C ATOM 598 O ILE A 66 85.042 62.855 3.532 1.00 18.05 O ATOM 599 CB ILE A 66 84.456 62.227 6.338 1.00 21.59 C ATOM 600 CG1 ILE A 66 84.777 62.141 7.832 1.00 24.77 C ATOM 601 CG2 ILE A 66 83.134 61.523 6.037 1.00 16.75 C ATOM 602 CD1 ILE A 66 83.936 63.058 8.683 1.00 20.28 C ATOM 603 H ILE A 66 86.975 63.273 5.561 1.00 0.00 H ATOM 604 N CYS A 67 85.371 60.631 3.302 1.00 24.31 N ATOM 605 CA CYS A 67 85.054 60.605 1.876 1.00 31.27 C ATOM 606 C CYS A 67 85.805 61.704 1.130 1.00 27.74 C ATOM 607 O CYS A 67 85.258 62.380 0.255 1.00 28.67 O ATOM 608 CB CYS A 67 83.545 60.729 1.657 1.00 28.71 C ATOM 609 SG CYS A 67 82.978 60.155 0.046 1.00 40.70 S ATOM 610 H CYS A 67 85.650 59.746 3.771 1.00 0.00 H ATOM 611 N GLY A 68 87.071 61.893 1.488 1.00 26.89 N ATOM 612 CA GLY A 68 87.912 62.876 0.838 1.00 31.21 C ATOM 613 C GLY A 68 87.818 64.283 1.386 1.00 33.56 C ATOM 614 O GLY A 68 88.409 65.195 0.795 1.00 31.96 O ATOM 615 H GLY A 68 87.469 61.318 2.258 1.00 0.00 H ATOM 616 N HIS A 69 87.101 64.493 2.488 1.00 23.55 N ATOM 617 CA HIS A 69 86.978 65.804 3.114 1.00 24.30 C ATOM 618 C HIS A 69 87.554 65.741 4.521 1.00 26.11 C ATOM 619 O HIS A 69 87.263 64.807 5.276 1.00 17.90 O ATOM 620 CB HIS A 69 85.518 66.267 3.158 1.00 28.70 C ATOM 621 CG HIS A 69 84.972 66.676 1.825 1.00 31.03 C ATOM 622 ND1 HIS A 69 84.651 65.768 0.838 1.00 33.85 N ATOM 623 CD2 HIS A 69 84.690 67.899 1.316 1.00 19.63 C ATOM 624 CE1 HIS A 69 84.195 66.414 -0.220 1.00 27.41 C ATOM 625 NE2 HIS A 69 84.209 67.708 0.044 1.00 28.53 N ATOM 626 H HIS A 69 86.607 63.687 2.921 1.00 0.00 H ATOM 627 N LYS A 70 88.360 66.739 4.873 1.00 20.14 N ATOM 628 CA LYS A 70 89.069 66.751 6.144 1.00 19.92 C ATOM 629 C LYS A 70 88.233 67.409 7.234 1.00 21.02 C ATOM 630 O LYS A 70 87.543 68.404 6.995 1.00 19.96 O ATOM 631 CB LYS A 70 90.402 67.487 6.008 1.00 23.43 C ATOM 632 CG LYS A 70 91.490 66.697 5.295 1.00 37.20 C ATOM 633 CD LYS A 70 92.729 67.553 5.088 1.00 48.77 C ATOM 634 CE LYS A 70 93.986 66.709 4.933 1.00 55.37 C ATOM 635 NZ LYS A 70 93.996 65.920 3.671 1.00 62.61 N ATOM 636 HZ1 LYS A 70 93.177 65.279 3.658 1.00 0.00 H ATOM 637 HZ2 LYS A 70 93.944 66.567 2.859 1.00 0.00 H ATOM 638 HZ3 LYS A 70 94.874 65.365 3.618 1.00 0.00 H ATOM 639 H LYS A 70 88.488 67.537 4.218 1.00 0.00 H ATOM 640 N ALA A 71 88.311 66.844 8.436 1.00 14.79 N ATOM 641 CA ALA A 71 87.690 67.419 9.618 1.00 15.37 C ATOM 642 C ALA A 71 88.630 67.233 10.800 1.00 18.86 C ATOM 643 O ALA A 71 89.483 66.341 10.808 1.00 16.04 O ATOM 644 CB ALA A 71 86.329 66.775 9.918 1.00 15.73 C ATOM 645 H ALA A 71 88.839 65.953 8.534 1.00 0.00 H ATOM 646 N ILE A 72 88.473 68.097 11.800 1.00 11.63 N ATOM 647 CA ILE A 72 89.225 68.005 13.048 1.00 14.87 C ATOM 648 C ILE A 72 88.237 68.259 14.178 1.00 16.59 C ATOM 649 O ILE A 72 87.753 69.385 14.338 1.00 16.12 O ATOM 650 CB ILE A 72 90.391 69.003 13.119 1.00 13.18 C ATOM 651 CG1 ILE A 72 91.303 68.853 11.898 1.00 14.11 C ATOM 652 CG2 ILE A 72 91.178 68.796 14.413 1.00 17.23 C ATOM 653 CD1 ILE A 72 92.385 69.914 11.801 1.00 21.51 C ATOM 654 H ILE A 72 87.786 68.870 11.688 1.00 0.00 H ATOM 655 N GLY A 73 87.943 67.231 14.963 1.00 15.51 N ATOM 656 CA GLY A 73 86.954 67.388 16.006 1.00 17.24 C ATOM 657 C GLY A 73 86.974 66.239 16.987 1.00 17.44 C ATOM 658 O GLY A 73 87.883 65.406 16.988 1.00 18.16 O ATOM 659 H GLY A 73 88.421 66.317 14.829 1.00 0.00 H ATOM 660 N THR A 74 85.941 66.209 17.823 1.00 14.19 N ATOM 661 CA THR A 74 85.841 65.224 18.888 1.00 16.62 C ATOM 662 C THR A 74 85.387 63.882 18.332 1.00 15.76 C ATOM 663 O THR A 74 84.473 63.810 17.506 1.00 13.27 O ATOM 664 CB THR A 74 84.865 65.706 19.965 1.00 16.93 C ATOM 665 OG1 THR A 74 85.340 66.935 20.525 1.00 20.69 O ATOM 666 CG2 THR A 74 84.716 64.676 21.080 1.00 21.83 C ATOM 667 HG1 THR A 74 86.232 66.789 20.929 1.00 0.00 H ATOM 668 H THR A 74 85.182 66.911 17.712 1.00 0.00 H ATOM 669 N VAL A 75 86.039 62.816 18.790 1.00 16.62 N ATOM 670 CA VAL A 75 85.697 61.451 18.408 1.00 15.97 C ATOM 671 C VAL A 75 85.523 60.645 19.685 1.00 14.31 C ATOM 672 O VAL A 75 86.439 60.584 20.515 1.00 13.39 O ATOM 673 CB VAL A 75 86.769 60.816 17.505 1.00 23.90 C ATOM 674 CG1 VAL A 75 86.440 59.354 17.217 1.00 18.27 C ATOM 675 CG2 VAL A 75 86.892 61.598 16.207 1.00 19.83 C ATOM 676 H VAL A 75 86.829 62.963 19.451 1.00 0.00 H ATOM 677 N LEU A 76 84.354 60.038 19.845 1.00 13.15 N ATOM 678 CA LEU A 76 84.073 59.162 20.970 1.00 13.36 C ATOM 679 C LEU A 76 84.282 57.718 20.536 1.00 15.10 C ATOM 680 O LEU A 76 83.864 57.322 19.445 1.00 16.32 O ATOM 681 CB LEU A 76 82.644 59.369 21.475 1.00 15.49 C ATOM 682 CG LEU A 76 82.234 60.831 21.686 1.00 14.03 C ATOM 683 CD1 LEU A 76 80.803 60.931 22.193 1.00 13.18 C ATOM 684 CD2 LEU A 76 83.184 61.538 22.643 1.00 15.34 C ATOM 685 H LEU A 76 83.609 60.195 19.137 1.00 0.00 H ATOM 686 N VAL A 77 84.942 56.940 21.388 1.00 12.14 N ATOM 687 CA VAL A 77 85.281 55.553 21.095 1.00 13.74 C ATOM 688 C VAL A 77 84.671 54.679 22.179 1.00 17.35 C ATOM 689 O VAL A 77 84.894 54.915 23.372 1.00 16.30 O ATOM 690 CB VAL A 77 86.806 55.349 21.008 1.00 18.00 C ATOM 691 CG1 VAL A 77 87.141 53.896 20.697 1.00 18.08 C ATOM 692 CG2 VAL A 77 87.404 56.269 19.951 1.00 16.53 C ATOM 693 H VAL A 77 85.229 57.339 22.305 1.00 0.00 H ATOM 694 N GLY A 78 83.896 53.680 21.765 1.00 18.14 N ATOM 695 CA GLY A 78 83.218 52.810 22.693 1.00 19.30 C ATOM 696 C GLY A 78 82.334 51.799 21.992 1.00 12.78 C ATOM 697 O GLY A 78 82.355 51.664 20.764 1.00 13.19 O ATOM 698 H GLY A 78 83.776 53.522 20.744 1.00 0.00 H ATOM 699 N PRO A 79 81.534 51.063 22.769 1.00 16.56 N ATOM 700 CA PRO A 79 80.714 49.969 22.212 1.00 15.98 C ATOM 701 C PRO A 79 79.466 50.464 21.486 1.00 12.75 C ATOM 702 O PRO A 79 78.329 50.163 21.861 1.00 16.00 O ATOM 703 CB PRO A 79 80.383 49.144 23.464 1.00 18.19 C ATOM 704 CG PRO A 79 80.378 50.131 24.570 1.00 20.44 C ATOM 705 CD PRO A 79 81.455 51.120 24.239 1.00 16.30 C ATOM 706 N THR A 80 79.678 51.238 20.425 1.00 18.25 N ATOM 707 CA THR A 80 78.590 51.581 19.524 1.00 13.15 C ATOM 708 C THR A 80 78.351 50.436 18.539 1.00 11.90 C ATOM 709 O THR A 80 79.291 49.736 18.152 1.00 18.34 O ATOM 710 CB THR A 80 78.903 52.865 18.756 1.00 14.67 C ATOM 711 OG1 THR A 80 77.869 53.115 17.797 1.00 14.76 O ATOM 712 CG2 THR A 80 80.244 52.763 18.022 1.00 18.26 C ATOM 713 HG1 THR A 80 77.818 52.356 17.163 1.00 0.00 H ATOM 714 H THR A 80 80.634 51.602 20.238 1.00 0.00 H ATOM 715 N PRO A 81 77.100 50.212 18.131 1.00 10.90 N ATOM 716 CA PRO A 81 76.841 49.114 17.184 1.00 12.87 C ATOM 717 C PRO A 81 77.523 49.293 15.840 1.00 15.33 C ATOM 718 O PRO A 81 77.850 48.293 15.189 1.00 14.42 O ATOM 719 CB PRO A 81 75.310 49.111 17.047 1.00 25.14 C ATOM 720 CG PRO A 81 74.847 50.402 17.597 1.00 24.99 C ATOM 721 CD PRO A 81 75.858 50.850 18.596 1.00 13.61 C ATOM 722 N VAL A 82 77.743 50.531 15.397 1.00 14.25 N ATOM 723 CA VAL A 82 78.443 50.795 14.145 1.00 18.38 C ATOM 724 C VAL A 82 79.168 52.127 14.274 1.00 15.77 C ATOM 725 O VAL A 82 78.782 52.989 15.069 1.00 12.31 O ATOM 726 CB VAL A 82 77.484 50.818 12.926 1.00 25.52 C ATOM 727 CG1 VAL A 82 76.746 49.488 12.770 1.00 31.65 C ATOM 728 CG2 VAL A 82 76.495 51.965 13.042 1.00 25.71 C ATOM 729 H VAL A 82 77.404 51.335 15.963 1.00 0.00 H ATOM 730 N ASN A 83 80.228 52.292 13.485 1.00 13.02 N ATOM 731 CA ASN A 83 80.867 53.596 13.360 1.00 12.09 C ATOM 732 C ASN A 83 79.880 54.591 12.765 1.00 13.55 C ATOM 733 O ASN A 83 79.359 54.372 11.666 1.00 12.85 O ATOM 734 CB ASN A 83 82.109 53.497 12.473 1.00 11.64 C ATOM 735 CG ASN A 83 83.156 52.549 13.022 1.00 11.50 C ATOM 736 OD1 ASN A 83 83.341 52.433 14.234 1.00 14.97 O ATOM 737 ND2 ASN A 83 83.858 51.870 12.124 1.00 16.21 N ATOM 738 HD22 ASN A 83 83.668 51.999 11.110 1.00 0.00 H ATOM 739 HD21 ASN A 83 84.598 51.209 12.434 1.00 0.00 H ATOM 740 H ASN A 83 80.604 51.482 12.952 1.00 0.00 H ATOM 741 N ILE A 84 79.623 55.685 13.480 1.00 12.77 N ATOM 742 CA ILE A 84 78.705 56.718 13.015 1.00 7.86 C ATOM 743 C ILE A 84 79.421 58.059 13.009 1.00 10.37 C ATOM 744 O ILE A 84 80.133 58.402 13.959 1.00 11.24 O ATOM 745 CB ILE A 84 77.426 56.791 13.875 1.00 10.89 C ATOM 746 CG1 ILE A 84 77.770 56.987 15.356 1.00 11.95 C ATOM 747 CG2 ILE A 84 76.601 55.536 13.661 1.00 12.29 C ATOM 748 CD1 ILE A 84 76.554 57.141 16.256 1.00 14.19 C ATOM 749 H ILE A 84 80.092 55.806 14.400 1.00 0.00 H ATOM 750 N ILE A 85 79.228 58.810 11.929 1.00 13.19 N ATOM 751 CA ILE A 85 79.714 60.179 11.810 1.00 11.64 C ATOM 752 C ILE A 85 78.544 61.100 12.124 1.00 10.50 C ATOM 753 O ILE A 85 77.552 61.132 11.388 1.00 10.37 O ATOM 754 CB ILE A 85 80.278 60.458 10.411 1.00 15.41 C ATOM 755 CG1 ILE A 85 81.329 59.410 10.032 1.00 10.51 C ATOM 756 CG2 ILE A 85 80.863 61.859 10.347 1.00 8.66 C ATOM 757 CD1 ILE A 85 82.475 59.284 11.020 1.00 14.71 C ATOM 758 H ILE A 85 78.704 58.400 11.129 1.00 0.00 H ATOM 759 N GLY A 86 78.661 61.859 13.215 1.00 9.45 N ATOM 760 CA GLY A 86 77.607 62.742 13.657 1.00 13.01 C ATOM 761 C GLY A 86 77.800 64.176 13.180 1.00 13.85 C ATOM 762 O GLY A 86 78.751 64.521 12.482 1.00 11.74 O ATOM 763 H GLY A 86 79.542 61.813 13.766 1.00 0.00 H ATOM 764 N ARG A 87 76.864 65.029 13.604 1.00 12.50 N ATOM 765 CA ARG A 87 76.796 66.385 13.070 1.00 14.83 C ATOM 766 C ARG A 87 78.044 67.195 13.395 1.00 12.34 C ATOM 767 O ARG A 87 78.395 68.113 12.644 1.00 13.11 O ATOM 768 CB ARG A 87 75.548 67.093 13.598 1.00 13.01 C ATOM 769 CG ARG A 87 74.252 66.527 13.036 1.00 11.25 C ATOM 770 CD ARG A 87 73.032 67.330 13.466 1.00 10.30 C ATOM 771 NE ARG A 87 72.860 67.318 14.916 1.00 13.27 N ATOM 772 CZ ARG A 87 73.229 68.298 15.739 1.00 15.72 C ATOM 773 NH1 ARG A 87 73.791 69.408 15.277 1.00 12.33 N ATOM 774 NH2 ARG A 87 73.027 68.165 17.041 1.00 11.90 N ATOM 775 HE ARG A 87 72.415 66.479 15.339 1.00 0.00 H ATOM 776 HH12 ARG A 87 74.072 70.162 15.936 1.00 0.00 H ATOM 777 HH11 ARG A 87 73.950 69.524 14.256 1.00 0.00 H ATOM 778 HH22 ARG A 87 73.312 68.925 17.692 1.00 0.00 H ATOM 779 HH21 ARG A 87 72.584 67.301 17.413 1.00 0.00 H ATOM 780 H ARG A 87 76.177 64.724 14.322 1.00 0.00 H ATOM 781 N ASN A 88 78.731 66.881 14.496 1.00 10.59 N ATOM 782 CA ASN A 88 79.918 67.655 14.850 1.00 9.85 C ATOM 783 C ASN A 88 80.957 67.616 13.736 1.00 15.75 C ATOM 784 O ASN A 88 81.714 68.577 13.562 1.00 12.43 O ATOM 785 CB ASN A 88 80.518 67.146 16.161 1.00 8.94 C ATOM 786 CG ASN A 88 81.179 65.789 16.017 1.00 14.02 C ATOM 787 OD1 ASN A 88 80.574 64.837 15.526 1.00 10.55 O ATOM 788 ND2 ASN A 88 82.434 65.697 16.438 1.00 11.61 N ATOM 789 HD22 ASN A 88 82.907 66.528 16.847 1.00 0.00 H ATOM 790 HD21 ASN A 88 82.944 64.794 16.359 1.00 0.00 H ATOM 791 H ASN A 88 78.423 66.091 15.098 1.00 0.00 H ATOM 792 N LEU A 89 81.003 66.526 12.969 1.00 11.44 N ATOM 793 CA LEU A 89 81.897 66.426 11.822 1.00 13.66 C ATOM 794 C LEU A 89 81.192 66.646 10.493 1.00 9.95 C ATOM 795 O LEU A 89 81.803 67.189 9.566 1.00 11.92 O ATOM 796 CB LEU A 89 82.589 65.057 11.805 1.00 15.58 C ATOM 797 CG LEU A 89 83.437 64.725 13.038 1.00 12.95 C ATOM 798 CD1 LEU A 89 84.138 63.383 12.867 1.00 17.61 C ATOM 799 CD2 LEU A 89 84.455 65.824 13.327 1.00 18.11 C ATOM 800 H LEU A 89 80.382 65.723 13.196 1.00 0.00 H ATOM 801 N LEU A 90 79.922 66.248 10.374 1.00 14.11 N ATOM 802 CA LEU A 90 79.193 66.483 9.132 1.00 12.45 C ATOM 803 C LEU A 90 79.175 67.965 8.779 1.00 15.44 C ATOM 804 O LEU A 90 79.269 68.331 7.602 1.00 13.79 O ATOM 805 CB LEU A 90 77.768 65.943 9.247 1.00 12.23 C ATOM 806 CG LEU A 90 77.617 64.429 9.409 1.00 11.60 C ATOM 807 CD1 LEU A 90 76.159 64.065 9.606 1.00 12.51 C ATOM 808 CD2 LEU A 90 78.191 63.690 8.209 1.00 13.70 C ATOM 809 H LEU A 90 79.452 65.769 11.169 1.00 0.00 H ATOM 810 N THR A 91 79.051 68.834 9.784 1.00 11.40 N ATOM 811 CA THR A 91 79.083 70.269 9.519 1.00 15.54 C ATOM 812 C THR A 91 80.425 70.687 8.931 1.00 14.18 C ATOM 813 O THR A 91 80.476 71.516 8.016 1.00 12.73 O ATOM 814 CB THR A 91 78.797 71.056 10.801 1.00 14.08 C ATOM 815 OG1 THR A 91 79.709 70.654 11.830 1.00 16.18 O ATOM 816 CG2 THR A 91 77.364 70.828 11.271 1.00 16.12 C ATOM 817 HG1 THR A 91 79.599 69.686 12.008 1.00 0.00 H ATOM 818 H THR A 91 78.931 68.488 10.758 1.00 0.00 H ATOM 819 N GLN A 92 81.523 70.111 9.434 1.00 12.10 N ATOM 820 CA GLN A 92 82.852 70.526 8.990 1.00 16.90 C ATOM 821 C GLN A 92 83.084 70.211 7.519 1.00 19.67 C ATOM 822 O GLN A 92 83.779 70.963 6.827 1.00 14.82 O ATOM 823 CB GLN A 92 83.927 69.856 9.847 1.00 10.34 C ATOM 824 CG GLN A 92 83.924 70.309 11.289 1.00 17.02 C ATOM 825 CD GLN A 92 85.235 70.023 11.996 1.00 14.73 C ATOM 826 OE1 GLN A 92 86.254 69.753 11.360 1.00 18.09 O ATOM 827 NE2 GLN A 92 85.215 70.086 13.320 1.00 14.67 N ATOM 828 HE22 GLN A 92 84.331 70.318 13.816 1.00 0.00 H ATOM 829 HE21 GLN A 92 86.083 69.904 13.862 1.00 0.00 H ATOM 830 H GLN A 92 81.430 69.361 10.148 1.00 0.00 H ATOM 831 N ILE A 93 82.527 69.103 7.021 1.00 18.58 N ATOM 832 CA ILE A 93 82.686 68.756 5.613 1.00 21.31 C ATOM 833 C ILE A 93 81.617 69.392 4.730 1.00 20.23 C ATOM 834 O ILE A 93 81.579 69.113 3.523 1.00 14.30 O ATOM 835 CB ILE A 93 82.705 67.222 5.437 1.00 17.18 C ATOM 836 CG1 ILE A 93 81.379 66.595 5.878 1.00 16.06 C ATOM 837 CG2 ILE A 93 83.862 66.627 6.239 1.00 20.12 C ATOM 838 CD1 ILE A 93 81.253 65.123 5.521 1.00 21.40 C ATOM 839 H ILE A 93 81.974 68.481 7.644 1.00 0.00 H ATOM 840 N GLY A 94 80.757 70.244 5.284 1.00 16.76 N ATOM 841 CA GLY A 94 79.779 70.962 4.483 1.00 22.21 C ATOM 842 C GLY A 94 78.551 70.162 4.120 1.00 20.47 C ATOM 843 O GLY A 94 77.911 70.451 3.104 1.00 14.77 O ATOM 844 H GLY A 94 80.785 70.399 6.312 1.00 0.00 H ATOM 845 N CYS A 95 78.185 69.182 4.940 1.00 17.31 N ATOM 846 CA CYS A 95 77.093 68.276 4.615 1.00 15.85 C ATOM 847 C CYS A 95 75.748 68.898 4.975 1.00 15.82 C ATOM 848 O CYS A 95 75.578 69.445 6.069 1.00 22.81 O ATOM 849 CB CYS A 95 77.286 66.949 5.350 1.00 23.54 C ATOM 850 SG CYS A 95 76.194 65.628 4.805 1.00 25.66 S ATOM 851 H CYS A 95 78.693 69.059 5.839 1.00 0.00 H ATOM 852 N THR A 96 74.797 68.817 4.046 1.00 15.46 N ATOM 853 CA THR A 96 73.434 69.276 4.269 1.00 15.63 C ATOM 854 C THR A 96 72.451 68.214 3.796 1.00 14.32 C ATOM 855 O THR A 96 72.783 67.340 2.991 1.00 15.95 O ATOM 856 CB THR A 96 73.135 70.591 3.532 1.00 19.82 C ATOM 857 OG1 THR A 96 73.253 70.386 2.118 1.00 16.73 O ATOM 858 CG2 THR A 96 74.086 71.695 3.973 1.00 19.49 C ATOM 859 HG1 THR A 96 74.173 70.090 1.904 1.00 0.00 H ATOM 860 H THR A 96 75.039 68.408 3.121 1.00 0.00 H ATOM 861 N LEU A 97 71.229 68.302 4.312 1.00 14.71 N ATOM 862 CA LEU A 97 70.106 67.519 3.817 1.00 14.28 C ATOM 863 C LEU A 97 69.316 68.365 2.830 1.00 21.22 C ATOM 864 O LEU A 97 69.180 69.579 3.011 1.00 14.88 O ATOM 865 CB LEU A 97 69.200 67.065 4.964 1.00 14.97 C ATOM 866 CG LEU A 97 69.765 65.983 5.884 1.00 11.69 C ATOM 867 CD1 LEU A 97 68.998 65.947 7.196 1.00 18.48 C ATOM 868 CD2 LEU A 97 69.720 64.621 5.206 1.00 15.86 C ATOM 869 H LEU A 97 71.068 68.958 5.103 1.00 0.00 H ATOM 870 N ASN A 98 68.802 67.724 1.782 1.00 17.19 N ATOM 871 CA ASN A 98 68.135 68.435 0.699 1.00 18.69 C ATOM 872 C ASN A 98 66.978 67.605 0.167 1.00 18.63 C ATOM 873 O ASN A 98 67.131 66.404 -0.072 1.00 19.81 O ATOM 874 CB ASN A 98 69.118 68.745 -0.437 1.00 17.75 C ATOM 875 CG ASN A 98 70.274 69.616 0.013 1.00 19.27 C ATOM 876 OD1 ASN A 98 70.225 70.841 -0.102 1.00 22.94 O ATOM 877 ND2 ASN A 98 71.324 68.987 0.528 1.00 18.72 N ATOM 878 HD22 ASN A 98 71.322 67.950 0.606 1.00 0.00 H ATOM 879 HD21 ASN A 98 72.148 69.531 0.853 1.00 0.00 H ATOM 880 H ASN A 98 68.879 66.688 1.735 1.00 0.00 H ATOM 881 N PHE A 99 65.830 68.248 -0.021 1.00 20.22 N ATOM 882 CA PHE A 99 64.678 67.601 -0.643 1.00 19.24 C ATOM 883 C PHE A 99 63.725 68.643 -1.219 1.00 27.09 C ATOM 884 O PHE A 99 62.674 68.306 -1.765 1.00 31.21 O ATOM 885 CB PHE A 99 63.942 66.708 0.361 1.00 20.24 C ATOM 886 CG PHE A 99 63.423 67.438 1.566 1.00 25.63 C ATOM 887 CD1 PHE A 99 64.219 67.603 2.687 1.00 25.24 C ATOM 888 CD2 PHE A 99 62.133 67.945 1.586 1.00 28.48 C ATOM 889 CE1 PHE A 99 63.744 68.270 3.800 1.00 32.79 C ATOM 890 CE2 PHE A 99 61.653 68.612 2.697 1.00 26.61 C ATOM 891 CZ PHE A 99 62.460 68.775 3.805 1.00 34.53 C ATOM 892 OXT PHE A 99 63.983 69.845 -1.155 1.00 27.36 O ATOM 893 H PHE A 99 65.750 69.239 0.283 1.00 0.00 H TER 894 PHE A 99 ATOM 895 N PRO B 1 63.650 72.046 0.281 1.00 41.19 N ATOM 896 CA PRO B 1 64.563 72.961 0.974 1.00 35.35 C ATOM 897 C PRO B 1 65.917 72.332 1.290 1.00 34.88 C ATOM 898 O PRO B 1 66.118 71.138 1.063 1.00 22.83 O ATOM 899 CB PRO B 1 63.810 73.290 2.266 1.00 36.71 C ATOM 900 CG PRO B 1 62.949 72.103 2.505 1.00 36.43 C ATOM 901 CD PRO B 1 62.527 71.637 1.142 1.00 42.63 C ATOM 902 HN2 PRO B 1 64.178 71.198 -0.009 1.00 0.00 H ATOM 903 HN1 PRO B 1 63.272 72.522 -0.562 1.00 0.00 H ATOM 904 N GLN B 2 66.835 73.143 1.808 1.00 24.77 N ATOM 905 CA GLN B 2 68.140 72.678 2.254 1.00 26.81 C ATOM 906 C GLN B 2 68.237 72.885 3.757 1.00 29.00 C ATOM 907 O GLN B 2 67.896 73.959 4.263 1.00 27.99 O ATOM 908 CB GLN B 2 69.274 73.420 1.539 1.00 22.49 C ATOM 909 CG GLN B 2 70.658 73.100 2.086 1.00 25.60 C ATOM 910 CD GLN B 2 71.768 73.758 1.293 1.00 26.49 C ATOM 911 OE1 GLN B 2 72.330 74.769 1.712 1.00 38.86 O ATOM 912 NE2 GLN B 2 72.094 73.183 0.141 1.00 30.97 N ATOM 913 HE22 GLN B 2 71.592 72.329 -0.174 1.00 0.00 H ATOM 914 HE21 GLN B 2 72.852 73.587 -0.446 1.00 0.00 H ATOM 915 H GLN B 2 66.610 74.154 1.898 1.00 0.00 H ATOM 916 N ILE B 3 68.697 71.858 4.465 1.00 18.54 N ATOM 917 CA ILE B 3 68.797 71.884 5.919 1.00 21.23 C ATOM 918 C ILE B 3 70.258 71.705 6.295 1.00 23.56 C ATOM 919 O ILE B 3 70.862 70.670 5.986 1.00 14.65 O ATOM 920 CB ILE B 3 67.926 70.797 6.567 1.00 21.97 C ATOM 921 CG1 ILE B 3 66.451 71.046 6.245 1.00 27.99 C ATOM 922 CG2 ILE B 3 68.138 70.760 8.080 1.00 20.63 C ATOM 923 CD1 ILE B 3 65.553 69.872 6.553 1.00 26.68 C ATOM 924 H ILE B 3 68.998 71.000 3.960 1.00 0.00 H ATOM 925 N THR B 4 70.825 72.709 6.957 1.00 18.38 N ATOM 926 CA THR B 4 72.157 72.576 7.518 1.00 16.97 C ATOM 927 C THR B 4 72.088 71.790 8.826 1.00 13.87 C ATOM 928 O THR B 4 71.019 71.590 9.410 1.00 14.48 O ATOM 929 CB THR B 4 72.789 73.949 7.744 1.00 19.23 C ATOM 930 OG1 THR B 4 71.944 74.733 8.594 1.00 23.08 O ATOM 931 CG2 THR B 4 72.987 74.672 6.416 1.00 23.28 C ATOM 932 HG1 THR B 4 71.835 74.273 9.464 1.00 0.00 H ATOM 933 H THR B 4 70.306 73.603 7.075 1.00 0.00 H ATOM 934 N LEU B 5 73.252 71.337 9.289 1.00 10.82 N ATOM 935 CA LEU B 5 73.327 70.426 10.423 1.00 15.54 C ATOM 936 C LEU B 5 73.998 71.058 11.638 1.00 13.81 C ATOM 937 O LEU B 5 74.524 70.340 12.495 1.00 10.13 O ATOM 938 CB LEU B 5 74.051 69.144 10.006 1.00 14.16 C ATOM 939 CG LEU B 5 73.366 68.403 8.853 1.00 12.87 C ATOM 940 CD1 LEU B 5 74.235 67.273 8.330 1.00 15.30 C ATOM 941 CD2 LEU B 5 71.999 67.871 9.276 1.00 15.15 C ATOM 942 H LEU B 5 74.132 71.643 8.828 1.00 0.00 H ATOM 943 N TRP B 6 73.984 72.392 11.733 1.00 13.20 N ATOM 944 CA TRP B 6 74.431 73.048 12.958 1.00 17.25 C ATOM 945 C TRP B 6 73.582 72.630 14.148 1.00 16.91 C ATOM 946 O TRP B 6 74.087 72.540 15.274 1.00 15.21 O ATOM 947 CB TRP B 6 74.374 74.569 12.808 1.00 16.55 C ATOM 948 CG TRP B 6 75.245 75.131 11.726 1.00 15.33 C ATOM 949 CD1 TRP B 6 74.832 75.703 10.558 1.00 16.01 C ATOM 950 CD2 TRP B 6 76.677 75.191 11.718 1.00 14.95 C ATOM 951 NE1 TRP B 6 75.916 76.113 9.822 1.00 17.29 N ATOM 952 CE2 TRP B 6 77.061 75.811 10.512 1.00 14.28 C ATOM 953 CE3 TRP B 6 77.670 74.779 12.612 1.00 17.55 C ATOM 954 CZ2 TRP B 6 78.395 76.027 10.176 1.00 18.70 C ATOM 955 CZ3 TRP B 6 78.995 74.998 12.277 1.00 22.29 C ATOM 956 CH2 TRP B 6 79.345 75.616 11.070 1.00 16.61 C ATOM 957 HE1 TRP B 6 75.875 76.577 8.892 1.00 0.00 H ATOM 958 H TRP B 6 73.653 72.965 10.930 1.00 0.00 H ATOM 959 N LYS B 7 72.294 72.391 13.924 1.00 11.89 N ATOM 960 CA LYS B 7 71.376 71.934 14.954 1.00 15.66 C ATOM 961 C LYS B 7 70.692 70.667 14.461 1.00 12.32 C ATOM 962 O LYS B 7 70.800 70.294 13.291 1.00 14.09 O ATOM 963 CB LYS B 7 70.338 73.015 15.302 1.00 14.05 C ATOM 964 CG LYS B 7 69.263 73.213 14.242 1.00 19.88 C ATOM 965 CD LYS B 7 68.408 74.442 14.527 1.00 21.84 C ATOM 966 CE LYS B 7 67.031 74.320 13.888 1.00 30.55 C ATOM 967 NZ LYS B 7 66.371 75.640 13.701 1.00 51.12 N ATOM 968 HZ1 LYS B 7 66.256 76.103 14.625 1.00 0.00 H ATOM 969 HZ2 LYS B 7 66.959 76.236 13.084 1.00 0.00 H ATOM 970 HZ3 LYS B 7 65.438 75.501 13.263 1.00 0.00 H ATOM 971 H LYS B 7 71.924 72.538 12.963 1.00 0.00 H ATOM 972 N ARG B 8 69.986 70.003 15.366 1.00 12.43 N ATOM 973 CA ARG B 8 69.317 68.761 15.013 1.00 11.44 C ATOM 974 C ARG B 8 68.324 69.010 13.879 1.00 9.58 C ATOM 975 O ARG B 8 67.562 69.985 13.932 1.00 11.91 O ATOM 976 CB ARG B 8 68.595 68.180 16.227 1.00 10.55 C ATOM 977 CG ARG B 8 69.524 67.771 17.357 1.00 13.85 C ATOM 978 CD ARG B 8 68.781 66.993 18.431 1.00 17.33 C ATOM 979 NE ARG B 8 69.690 66.428 19.424 1.00 25.49 N ATOM 980 CZ ARG B 8 69.349 65.502 20.315 1.00 39.88 C ATOM 981 NH1 ARG B 8 68.112 65.021 20.344 1.00 31.07 N ATOM 982 NH2 ARG B 8 70.249 65.050 21.179 1.00 27.12 N ATOM 983 HE ARG B 8 70.671 66.773 19.435 1.00 0.00 H ATOM 984 HH12 ARG B 8 67.852 64.297 21.044 1.00 0.00 H ATOM 985 HH11 ARG B 8 67.403 65.368 19.667 1.00 0.00 H ATOM 986 HH22 ARG B 8 69.983 64.326 21.876 1.00 0.00 H ATOM 987 HH21 ARG B 8 71.221 65.420 21.159 1.00 0.00 H ATOM 988 H ARG B 8 69.910 70.373 16.335 1.00 0.00 H ATOM 989 N PRO B 9 68.299 68.166 12.839 1.00 9.49 N ATOM 990 CA PRO B 9 67.362 68.393 11.718 1.00 12.89 C ATOM 991 C PRO B 9 65.940 67.962 12.055 1.00 12.95 C ATOM 992 O PRO B 9 65.406 66.968 11.546 1.00 12.38 O ATOM 993 CB PRO B 9 67.986 67.554 10.599 1.00 12.96 C ATOM 994 CG PRO B 9 68.604 66.408 11.320 1.00 11.01 C ATOM 995 CD PRO B 9 69.146 66.982 12.606 1.00 14.03 C ATOM 996 N LEU B 10 65.302 68.729 12.936 1.00 10.84 N ATOM 997 CA LEU B 10 63.942 68.447 13.374 1.00 14.35 C ATOM 998 C LEU B 10 62.946 69.105 12.430 1.00 16.32 C ATOM 999 O LEU B 10 63.100 70.276 12.069 1.00 16.11 O ATOM 1000 CB LEU B 10 63.718 68.949 14.802 1.00 15.05 C ATOM 1001 CG LEU B 10 64.448 68.206 15.920 1.00 13.30 C ATOM 1002 CD1 LEU B 10 64.325 68.973 17.227 1.00 23.72 C ATOM 1003 CD2 LEU B 10 63.898 66.795 16.076 1.00 19.82 C ATOM 1004 H LEU B 10 65.792 69.559 13.326 1.00 0.00 H ATOM 1005 N VAL B 11 61.924 68.347 12.035 1.00 12.78 N ATOM 1006 CA VAL B 11 60.861 68.849 11.177 1.00 18.19 C ATOM 1007 C VAL B 11 59.524 68.388 11.740 1.00 20.37 C ATOM 1008 O VAL B 11 59.446 67.453 12.540 1.00 16.72 O ATOM 1009 CB VAL B 11 61.017 68.381 9.713 1.00 17.80 C ATOM 1010 CG1 VAL B 11 62.332 68.885 9.128 1.00 17.16 C ATOM 1011 CG2 VAL B 11 60.933 66.862 9.614 1.00 18.79 C ATOM 1012 H VAL B 11 61.884 67.357 12.352 1.00 0.00 H ATOM 1013 N THR B 12 58.462 69.059 11.306 1.00 13.39 N ATOM 1014 CA THR B 12 57.116 68.681 11.712 1.00 14.03 C ATOM 1015 C THR B 12 56.601 67.569 10.808 1.00 15.10 C ATOM 1016 O THR B 12 56.745 67.633 9.583 1.00 18.54 O ATOM 1017 CB THR B 12 56.173 69.883 11.657 1.00 21.93 C ATOM 1018 OG1 THR B 12 56.717 70.955 12.434 1.00 15.11 O ATOM 1019 CG2 THR B 12 54.798 69.513 12.206 1.00 16.16 C ATOM 1020 HG1 THR B 12 56.105 71.732 12.397 1.00 0.00 H ATOM 1021 H THR B 12 58.595 69.868 10.666 1.00 0.00 H ATOM 1022 N ILE B 13 56.006 66.547 11.416 1.00 12.98 N ATOM 1023 CA ILE B 13 55.384 65.455 10.684 1.00 13.62 C ATOM 1024 C ILE B 13 53.925 65.366 11.109 1.00 16.26 C ATOM 1025 O ILE B 13 53.532 65.837 12.179 1.00 17.94 O ATOM 1026 CB ILE B 13 56.097 64.105 10.915 1.00 14.41 C ATOM 1027 CG1 ILE B 13 55.956 63.662 12.377 1.00 15.60 C ATOM 1028 CG2 ILE B 13 57.565 64.217 10.527 1.00 20.30 C ATOM 1029 CD1 ILE B 13 56.400 62.241 12.636 1.00 16.80 C ATOM 1030 H ILE B 13 55.985 66.528 12.456 1.00 0.00 H ATOM 1031 N LYS B 14 53.118 64.748 10.251 1.00 12.51 N ATOM 1032 CA LYS B 14 51.735 64.422 10.573 1.00 15.70 C ATOM 1033 C LYS B 14 51.550 62.922 10.424 1.00 13.82 C ATOM 1034 O LYS B 14 51.819 62.365 9.354 1.00 15.37 O ATOM 1035 CB LYS B 14 50.752 65.174 9.674 1.00 21.33 C ATOM 1036 CG LYS B 14 49.302 64.790 9.941 1.00 23.04 C ATOM 1037 CD LYS B 14 48.317 65.778 9.339 1.00 32.39 C ATOM 1038 CE LYS B 14 48.211 65.630 7.831 1.00 36.38 C ATOM 1039 NZ LYS B 14 46.953 66.238 7.315 1.00 50.22 N ATOM 1040 HZ1 LYS B 14 46.136 65.766 7.753 1.00 0.00 H ATOM 1041 HZ2 LYS B 14 46.937 67.251 7.551 1.00 0.00 H ATOM 1042 HZ3 LYS B 14 46.911 66.120 6.283 1.00 0.00 H ATOM 1043 H LYS B 14 53.488 64.488 9.315 1.00 0.00 H ATOM 1044 N ILE B 15 51.097 62.271 11.492 1.00 17.46 N ATOM 1045 CA ILE B 15 50.861 60.832 11.470 1.00 18.43 C ATOM 1046 C ILE B 15 49.740 60.503 12.442 1.00 27.94 C ATOM 1047 O ILE B 15 49.685 61.038 13.553 1.00 23.46 O ATOM 1048 CB ILE B 15 52.130 60.035 11.823 1.00 20.36 C ATOM 1049 CG1 ILE B 15 51.768 58.556 11.953 1.00 27.37 C ATOM 1050 CG2 ILE B 15 52.755 60.562 13.114 1.00 22.94 C ATOM 1051 CD1 ILE B 15 52.922 57.647 11.794 1.00 30.69 C ATOM 1052 H ILE B 15 50.906 62.802 12.366 1.00 0.00 H ATOM 1053 N GLY B 16 48.857 59.599 12.022 1.00 23.80 N ATOM 1054 CA GLY B 16 47.733 59.198 12.844 1.00 30.31 C ATOM 1055 C GLY B 16 46.916 60.384 13.306 1.00 22.98 C ATOM 1056 O GLY B 16 46.362 60.376 14.410 1.00 24.30 O ATOM 1057 H GLY B 16 48.977 59.171 11.082 1.00 0.00 H ATOM 1058 N GLY B 17 46.838 61.412 12.465 1.00 22.75 N ATOM 1059 CA GLY B 17 46.098 62.607 12.812 1.00 21.28 C ATOM 1060 C GLY B 17 46.750 63.472 13.865 1.00 26.68 C ATOM 1061 O GLY B 17 46.078 64.326 14.450 1.00 22.70 O ATOM 1062 H GLY B 17 47.316 61.356 11.543 1.00 0.00 H ATOM 1063 N GLN B 18 48.042 63.279 14.128 1.00 27.71 N ATOM 1064 CA GLN B 18 48.772 64.070 15.108 1.00 22.44 C ATOM 1065 C GLN B 18 49.979 64.728 14.455 1.00 23.99 C ATOM 1066 O GLN B 18 50.609 64.155 13.561 1.00 20.48 O ATOM 1067 CB GLN B 18 49.247 63.210 16.286 1.00 32.22 C ATOM 1068 CG GLN B 18 48.130 62.656 17.151 1.00 35.49 C ATOM 1069 CD GLN B 18 48.652 61.990 18.410 1.00 45.40 C ATOM 1070 OE1 GLN B 18 49.433 61.042 18.346 1.00 42.88 O ATOM 1071 NE2 GLN B 18 48.230 62.493 19.564 1.00 50.83 N ATOM 1072 HE22 GLN B 18 47.569 63.296 19.571 1.00 0.00 H ATOM 1073 HE21 GLN B 18 48.561 62.084 20.461 1.00 0.00 H ATOM 1074 H GLN B 18 48.550 62.532 13.612 1.00 0.00 H ATOM 1075 N LEU B 19 50.297 65.936 14.914 1.00 15.16 N ATOM 1076 CA LEU B 19 51.504 66.641 14.502 1.00 20.34 C ATOM 1077 C LEU B 19 52.593 66.430 15.545 1.00 24.01 C ATOM 1078 O LEU B 19 52.340 66.554 16.748 1.00 19.39 O ATOM 1079 CB LEU B 19 51.241 68.136 14.317 1.00 22.12 C ATOM 1080 CG LEU B 19 50.215 68.551 13.259 1.00 24.18 C ATOM 1081 CD1 LEU B 19 50.287 70.053 13.048 1.00 23.47 C ATOM 1082 CD2 LEU B 19 50.430 67.816 11.943 1.00 26.29 C ATOM 1083 H LEU B 19 49.658 66.395 15.594 1.00 0.00 H ATOM 1084 N LYS B 20 53.801 66.119 15.079 1.00 20.66 N ATOM 1085 CA LYS B 20 54.924 65.825 15.957 1.00 14.21 C ATOM 1086 C LYS B 20 56.206 66.353 15.330 1.00 12.11 C ATOM 1087 O LYS B 20 56.274 66.607 14.125 1.00 16.98 O ATOM 1088 CB LYS B 20 55.055 64.317 16.211 1.00 13.50 C ATOM 1089 CG LYS B 20 53.863 63.685 16.910 1.00 28.04 C ATOM 1090 CD LYS B 20 53.809 62.191 16.653 1.00 27.17 C ATOM 1091 CE LYS B 20 52.742 61.520 17.499 1.00 40.40 C ATOM 1092 NZ LYS B 20 53.119 61.484 18.937 1.00 36.22 N ATOM 1093 HZ1 LYS B 20 54.006 60.953 19.048 1.00 0.00 H ATOM 1094 HZ2 LYS B 20 53.249 62.456 19.285 1.00 0.00 H ATOM 1095 HZ3 LYS B 20 52.364 61.018 19.480 1.00 0.00 H ATOM 1096 H LYS B 20 53.947 66.085 14.050 1.00 0.00 H ATOM 1097 N GLU B 21 57.226 66.523 16.167 1.00 12.66 N ATOM 1098 CA GLU B 21 58.568 66.860 15.711 1.00 17.75 C ATOM 1099 C GLU B 21 59.403 65.588 15.627 1.00 13.84 C ATOM 1100 O GLU B 21 59.345 64.740 16.522 1.00 11.75 O ATOM 1101 CB GLU B 21 59.237 67.862 16.654 1.00 19.35 C ATOM 1102 CG GLU B 21 58.509 69.193 16.783 1.00 28.69 C ATOM 1103 CD GLU B 21 58.404 69.937 15.465 1.00 28.85 C ATOM 1104 OE1 GLU B 21 57.293 69.989 14.899 1.00 28.04 O ATOM 1105 OE2 GLU B 21 59.434 70.464 14.992 1.00 28.42 O ATOM 1106 H GLU B 21 57.059 66.411 17.187 1.00 0.00 H ATOM 1107 N ALA B 22 60.175 65.458 14.548 1.00 12.30 N ATOM 1108 CA ALA B 22 60.937 64.242 14.298 1.00 15.83 C ATOM 1109 C ALA B 22 62.251 64.586 13.611 1.00 15.24 C ATOM 1110 O ALA B 22 62.355 65.591 12.903 1.00 14.31 O ATOM 1111 CB ALA B 22 60.147 63.252 13.435 1.00 11.86 C ATOM 1112 H ALA B 22 60.235 66.243 13.869 1.00 0.00 H ATOM 1113 N LEU B 23 63.248 63.727 13.823 1.00 12.37 N ATOM 1114 CA LEU B 23 64.550 63.874 13.183 1.00 12.53 C ATOM 1115 C LEU B 23 64.532 63.273 11.784 1.00 14.13 C ATOM 1116 O LEU B 23 64.054 62.151 11.586 1.00 17.80 O ATOM 1117 CB LEU B 23 65.637 63.177 14.002 1.00 13.73 C ATOM 1118 CG LEU B 23 66.061 63.733 15.356 1.00 21.91 C ATOM 1119 CD1 LEU B 23 67.005 62.743 16.021 1.00 20.37 C ATOM 1120 CD2 LEU B 23 66.735 65.082 15.198 1.00 19.33 C ATOM 1121 H LEU B 23 63.092 62.925 14.466 1.00 0.00 H ATOM 1122 N LEU B 24 65.070 64.013 10.817 1.00 11.53 N ATOM 1123 CA LEU B 24 65.448 63.437 9.529 1.00 10.50 C ATOM 1124 C LEU B 24 66.776 62.725 9.744 1.00 14.73 C ATOM 1125 O LEU B 24 67.826 63.364 9.836 1.00 12.62 O ATOM 1126 CB LEU B 24 65.561 64.517 8.459 1.00 12.82 C ATOM 1127 CG LEU B 24 64.321 65.376 8.212 1.00 13.58 C ATOM 1128 CD1 LEU B 24 64.610 66.414 7.137 1.00 24.19 C ATOM 1129 CD2 LEU B 24 63.129 64.516 7.819 1.00 17.48 C ATOM 1130 H LEU B 24 65.225 65.028 10.983 1.00 0.00 H ATOM 1131 N ASP B 25 66.737 61.396 9.833 1.00 12.70 N ATOM 1132 CA ASP B 25 67.865 60.614 10.336 1.00 9.79 C ATOM 1133 C ASP B 25 68.350 59.641 9.264 1.00 11.99 C ATOM 1134 O ASP B 25 67.751 58.581 9.054 1.00 11.09 O ATOM 1135 CB ASP B 25 67.470 59.876 11.610 1.00 8.05 C ATOM 1136 CG ASP B 25 68.661 59.279 12.324 1.00 11.82 C ATOM 1137 OD1 ASP B 25 69.771 59.320 11.755 1.00 11.94 O ATOM 1138 OD2 ASP B 25 68.493 58.786 13.458 1.00 10.62 O ATOM 1139 H ASP B 25 65.874 60.898 9.534 1.00 0.00 H ATOM 1140 N THR B 26 69.459 59.994 8.608 1.00 9.39 N ATOM 1141 CA THR B 26 70.082 59.117 7.625 1.00 11.16 C ATOM 1142 C THR B 26 70.712 57.880 8.251 1.00 11.97 C ATOM 1143 O THR B 26 71.052 56.945 7.518 1.00 14.69 O ATOM 1144 CB THR B 26 71.153 59.880 6.841 1.00 10.94 C ATOM 1145 OG1 THR B 26 72.183 60.329 7.733 1.00 11.38 O ATOM 1146 CG2 THR B 26 70.546 61.080 6.131 1.00 11.05 C ATOM 1147 HG1 THR B 26 72.597 59.547 8.177 1.00 0.00 H ATOM 1148 H THR B 26 69.890 60.920 8.804 1.00 0.00 H ATOM 1149 N GLY B 27 70.882 57.850 9.571 1.00 9.90 N ATOM 1150 CA GLY B 27 71.464 56.713 10.247 1.00 14.90 C ATOM 1151 C GLY B 27 70.484 55.641 10.660 1.00 10.05 C ATOM 1152 O GLY B 27 70.890 54.655 11.281 1.00 14.54 O ATOM 1153 H GLY B 27 70.586 58.672 10.135 1.00 0.00 H ATOM 1154 N ALA B 28 69.204 55.803 10.339 1.00 8.95 N ATOM 1155 CA ALA B 28 68.168 54.844 10.693 1.00 11.95 C ATOM 1156 C ALA B 28 67.609 54.200 9.432 1.00 12.28 C ATOM 1157 O ALA B 28 67.181 54.904 8.511 1.00 11.58 O ATOM 1158 CB ALA B 28 67.043 55.527 11.473 1.00 9.09 C ATOM 1159 H ALA B 28 68.930 56.655 9.810 1.00 0.00 H ATOM 1160 N ASP B 29 67.618 52.863 9.390 1.00 13.54 N ATOM 1161 CA ASP B 29 66.964 52.157 8.291 1.00 12.35 C ATOM 1162 C ASP B 29 65.465 52.407 8.304 1.00 16.08 C ATOM 1163 O ASP B 29 64.854 52.645 7.254 1.00 15.14 O ATOM 1164 CB ASP B 29 67.222 50.654 8.382 1.00 13.07 C ATOM 1165 CG ASP B 29 68.680 50.292 8.222 1.00 18.68 C ATOM 1166 OD1 ASP B 29 69.490 51.175 7.872 1.00 17.53 O ATOM 1167 OD2 ASP B 29 69.013 49.110 8.451 1.00 17.89 O ATOM 1168 H ASP B 29 68.092 52.324 10.143 1.00 0.00 H ATOM 1169 N ASP B 30 64.863 52.352 9.485 1.00 12.61 N ATOM 1170 CA ASP B 30 63.426 52.430 9.668 1.00 13.84 C ATOM 1171 C ASP B 30 63.063 53.717 10.397 1.00 12.25 C ATOM 1172 O ASP B 30 63.920 54.429 10.931 1.00 15.46 O ATOM 1173 CB ASP B 30 62.924 51.215 10.458 1.00 13.87 C ATOM 1174 CG ASP B 30 63.434 49.902 9.896 1.00 24.83 C ATOM 1175 OD1 ASP B 30 63.081 49.567 8.748 1.00 18.37 O ATOM 1176 OD2 ASP B 30 64.197 49.206 10.603 1.00 20.56 O ATOM 1177 H ASP B 30 65.458 52.246 10.332 1.00 0.00 H ATOM 1178 N THR B 31 61.767 53.999 10.416 1.00 11.94 N ATOM 1179 CA THR B 31 61.206 55.145 11.115 1.00 11.44 C ATOM 1180 C THR B 31 60.715 54.695 12.485 1.00 17.71 C ATOM 1181 O THR B 31 59.984 53.704 12.592 1.00 15.32 O ATOM 1182 CB THR B 31 60.067 55.756 10.294 1.00 11.56 C ATOM 1183 OG1 THR B 31 60.608 56.367 9.114 1.00 19.57 O ATOM 1184 CG2 THR B 31 59.288 56.796 11.084 1.00 11.49 C ATOM 1185 HG1 THR B 31 61.076 55.682 8.574 1.00 0.00 H ATOM 1186 H THR B 31 61.118 53.368 9.904 1.00 0.00 H ATOM 1187 N VAL B 32 61.126 55.414 13.527 1.00 12.71 N ATOM 1188 CA VAL B 32 60.829 55.053 14.910 1.00 13.41 C ATOM 1189 C VAL B 32 60.133 56.238 15.563 1.00 16.35 C ATOM 1190 O VAL B 32 60.675 57.351 15.576 1.00 16.10 O ATOM 1191 CB VAL B 32 62.098 54.670 15.688 1.00 15.56 C ATOM 1192 CG1 VAL B 32 61.734 53.968 16.993 1.00 16.44 C ATOM 1193 CG2 VAL B 32 63.012 53.794 14.838 1.00 15.11 C ATOM 1194 H VAL B 32 61.685 56.273 13.348 1.00 0.00 H ATOM 1195 N LEU B 33 58.945 56.003 16.114 1.00 12.59 N ATOM 1196 CA LEU B 33 58.145 57.063 16.708 1.00 11.79 C ATOM 1197 C LEU B 33 57.877 56.783 18.177 1.00 18.24 C ATOM 1198 O LEU B 33 57.718 55.631 18.592 1.00 13.18 O ATOM 1199 CB LEU B 33 56.813 57.224 15.985 1.00 13.17 C ATOM 1200 CG LEU B 33 56.912 57.549 14.501 1.00 16.45 C ATOM 1201 CD1 LEU B 33 55.530 57.641 13.949 1.00 32.66 C ATOM 1202 CD2 LEU B 33 57.664 58.846 14.253 1.00 16.47 C ATOM 1203 H LEU B 33 58.577 55.030 16.120 1.00 0.00 H ATOM 1204 N GLU B 34 57.820 57.863 18.954 1.00 13.77 N ATOM 1205 CA GLU B 34 57.457 57.800 20.363 1.00 18.60 C ATOM 1206 C GLU B 34 56.160 57.026 20.545 1.00 18.31 C ATOM 1207 O GLU B 34 55.351 56.931 19.616 1.00 16.92 O ATOM 1208 CB GLU B 34 57.308 59.210 20.937 1.00 17.39 C ATOM 1209 CG GLU B 34 56.190 60.020 20.284 1.00 31.20 C ATOM 1210 CD GLU B 34 56.045 61.408 20.873 1.00 49.54 C ATOM 1211 OE1 GLU B 34 55.734 61.513 22.078 1.00 46.84 O ATOM 1212 OE2 GLU B 34 56.245 62.394 20.133 1.00 42.97 O ATOM 1213 H GLU B 34 58.044 58.789 18.538 1.00 0.00 H ATOM 1214 N GLU B 35 55.955 56.479 21.740 1.00 16.53 N ATOM 1215 CA GLU B 35 54.744 55.725 22.031 1.00 21.58 C ATOM 1216 C GLU B 35 53.504 56.513 21.630 1.00 19.81 C ATOM 1217 O GLU B 35 53.336 57.675 22.009 1.00 17.53 O ATOM 1218 CB GLU B 35 54.693 55.380 23.520 1.00 22.67 C ATOM 1219 CG GLU B 35 53.426 54.657 23.945 1.00 25.90 C ATOM 1220 CD GLU B 35 53.187 53.390 23.150 1.00 34.32 C ATOM 1221 OE1 GLU B 35 54.156 52.630 22.940 1.00 26.31 O ATOM 1222 OE2 GLU B 35 52.035 53.160 22.727 1.00 29.72 O ATOM 1223 H GLU B 35 56.675 56.592 22.482 1.00 0.00 H ATOM 1224 N MET B 36 52.641 55.871 20.848 1.00 15.42 N ATOM 1225 CA MET B 36 51.351 56.433 20.480 1.00 27.16 C ATOM 1226 C MET B 36 50.406 55.280 20.182 1.00 22.68 C ATOM 1227 O MET B 36 50.829 54.222 19.709 1.00 19.57 O ATOM 1228 CB MET B 36 51.459 57.375 19.273 1.00 22.92 C ATOM 1229 CG MET B 36 51.964 56.712 18.000 1.00 28.79 C ATOM 1230 SD MET B 36 52.211 57.873 16.634 1.00 26.59 S ATOM 1231 CE MET B 36 50.615 58.685 16.554 1.00 36.38 C ATOM 1232 H MET B 36 52.898 54.931 20.486 1.00 0.00 H ATOM 1233 N ASN B 37 49.121 55.488 20.470 1.00 23.10 N ATOM 1234 CA ASN B 37 48.134 54.411 20.394 1.00 27.10 C ATOM 1235 C ASN B 37 47.492 54.422 19.008 1.00 28.84 C ATOM 1236 O ASN B 37 46.365 54.880 18.806 1.00 32.95 O ATOM 1237 CB ASN B 37 47.102 54.558 21.506 1.00 27.21 C ATOM 1238 CG ASN B 37 46.450 53.238 21.875 1.00 47.48 C ATOM 1239 OD1 ASN B 37 46.771 52.193 21.309 1.00 34.37 O ATOM 1240 ND2 ASN B 37 45.537 53.279 22.839 1.00 56.53 N ATOM 1241 HD22 ASN B 37 45.297 54.185 23.290 1.00 0.00 H ATOM 1242 HD21 ASN B 37 45.062 52.405 23.143 1.00 0.00 H ATOM 1243 H ASN B 37 48.813 56.439 20.756 1.00 0.00 H ATOM 1244 N LEU B 38 48.238 53.890 18.031 1.00 25.82 N ATOM 1245 CA LEU B 38 47.735 53.756 16.673 1.00 22.92 C ATOM 1246 C LEU B 38 46.787 52.562 16.566 1.00 31.27 C ATOM 1247 O LEU B 38 46.982 51.544 17.235 1.00 29.92 O ATOM 1248 CB LEU B 38 48.882 53.565 15.687 1.00 23.87 C ATOM 1249 CG LEU B 38 49.775 54.756 15.340 1.00 31.84 C ATOM 1250 CD1 LEU B 38 50.902 54.299 14.425 1.00 31.06 C ATOM 1251 CD2 LEU B 38 48.980 55.875 14.685 1.00 37.32 C ATOM 1252 H LEU B 38 49.201 53.564 18.249 1.00 0.00 H ATOM 1253 N PRO B 39 45.759 52.656 15.728 1.00 34.75 N ATOM 1254 CA PRO B 39 44.912 51.490 15.467 1.00 35.65 C ATOM 1255 C PRO B 39 45.548 50.543 14.459 1.00 29.96 C ATOM 1256 O PRO B 39 46.465 50.897 13.717 1.00 24.01 O ATOM 1257 CB PRO B 39 43.625 52.105 14.907 1.00 35.38 C ATOM 1258 CG PRO B 39 44.075 53.368 14.261 1.00 33.77 C ATOM 1259 CD PRO B 39 45.234 53.872 15.080 1.00 36.29 C ATOM 1260 N GLY B 40 45.040 49.318 14.451 1.00 31.38 N ATOM 1261 CA GLY B 40 45.421 48.328 13.464 1.00 29.06 C ATOM 1262 C GLY B 40 46.345 47.271 14.044 1.00 25.55 C ATOM 1263 O GLY B 40 46.773 47.328 15.198 1.00 26.11 O ATOM 1264 H GLY B 40 44.344 49.059 15.179 1.00 0.00 H ATOM 1265 N ARG B 41 46.644 46.291 13.197 1.00 20.15 N ATOM 1266 CA ARG B 41 47.521 45.193 13.565 1.00 27.19 C ATOM 1267 C ARG B 41 48.979 45.642 13.544 1.00 21.75 C ATOM 1268 O ARG B 41 49.336 46.669 12.959 1.00 19.12 O ATOM 1269 CB ARG B 41 47.325 44.010 12.615 1.00 21.21 C ATOM 1270 H ARG B 41 46.237 46.311 12.240 1.00 0.00 H ATOM 1271 N TRP B 42 49.827 44.848 14.191 1.00 18.70 N ATOM 1272 CA TRP B 42 51.245 45.156 14.282 1.00 20.63 C ATOM 1273 C TRP B 42 52.003 43.878 14.606 1.00 22.41 C ATOM 1274 O TRP B 42 51.422 42.883 15.047 1.00 15.90 O ATOM 1275 CB TRP B 42 51.516 46.224 15.344 1.00 15.65 C ATOM 1276 CG TRP B 42 50.974 45.859 16.690 1.00 17.61 C ATOM 1277 CD1 TRP B 42 49.707 46.072 17.147 1.00 25.54 C ATOM 1278 CD2 TRP B 42 51.681 45.211 17.753 1.00 23.70 C ATOM 1279 NE1 TRP B 42 49.581 45.597 18.430 1.00 20.22 N ATOM 1280 CE2 TRP B 42 50.779 45.062 18.825 1.00 30.72 C ATOM 1281 CE3 TRP B 42 52.991 44.743 17.903 1.00 21.47 C ATOM 1282 CZ2 TRP B 42 51.144 44.470 20.031 1.00 25.81 C ATOM 1283 CZ3 TRP B 42 53.351 44.153 19.101 1.00 21.03 C ATOM 1284 CH2 TRP B 42 52.431 44.021 20.149 1.00 26.01 C ATOM 1285 HE1 TRP B 42 48.717 45.637 19.007 1.00 0.00 H ATOM 1286 H TRP B 42 49.466 43.984 14.644 1.00 0.00 H ATOM 1287 N LYS B 43 53.314 43.924 14.379 1.00 23.15 N ATOM 1288 CA LYS B 43 54.201 42.815 14.678 1.00 20.22 C ATOM 1289 C LYS B 43 55.324 43.279 15.600 1.00 16.12 C ATOM 1290 O LYS B 43 55.884 44.360 15.386 1.00 14.23 O ATOM 1291 CB LYS B 43 54.802 42.232 13.391 1.00 22.00 C ATOM 1292 H LYS B 43 53.719 44.790 13.971 1.00 0.00 H ATOM 1293 N PRO B 44 55.671 42.509 16.630 1.00 15.32 N ATOM 1294 CA PRO B 44 56.766 42.931 17.511 1.00 15.73 C ATOM 1295 C PRO B 44 58.106 42.899 16.795 1.00 12.74 C ATOM 1296 O PRO B 44 58.345 42.090 15.895 1.00 13.58 O ATOM 1297 CB PRO B 44 56.724 41.924 18.669 1.00 20.28 C ATOM 1298 CG PRO B 44 55.821 40.832 18.253 1.00 18.97 C ATOM 1299 CD PRO B 44 54.991 41.293 17.109 1.00 17.47 C ATOM 1300 N LYS B 45 58.982 43.812 17.208 1.00 12.70 N ATOM 1301 CA LYS B 45 60.309 43.946 16.630 1.00 12.12 C ATOM 1302 C LYS B 45 61.232 44.510 17.699 1.00 13.14 C ATOM 1303 O LYS B 45 60.786 45.146 18.656 1.00 12.17 O ATOM 1304 CB LYS B 45 60.294 44.859 15.395 1.00 13.13 C ATOM 1305 CG LYS B 45 61.584 44.877 14.577 1.00 16.56 C ATOM 1306 CD LYS B 45 61.409 45.723 13.318 1.00 20.50 C ATOM 1307 CE LYS B 45 62.734 46.060 12.645 1.00 24.56 C ATOM 1308 NZ LYS B 45 63.217 44.987 11.734 1.00 28.06 N ATOM 1309 HZ1 LYS B 45 63.353 44.109 12.275 1.00 0.00 H ATOM 1310 HZ2 LYS B 45 62.514 44.828 10.984 1.00 0.00 H ATOM 1311 HZ3 LYS B 45 64.121 45.276 11.308 1.00 0.00 H ATOM 1312 H LYS B 45 58.706 44.456 17.976 1.00 0.00 H ATOM 1313 N MET B 46 62.526 44.257 17.534 1.00 10.30 N ATOM 1314 CA MET B 46 63.543 44.827 18.404 1.00 12.57 C ATOM 1315 C MET B 46 64.607 45.479 17.537 1.00 13.13 C ATOM 1316 O MET B 46 65.054 44.891 16.546 1.00 13.17 O ATOM 1317 CB MET B 46 64.155 43.762 19.323 1.00 13.29 C ATOM 1318 CG MET B 46 63.407 43.610 20.643 1.00 22.62 C ATOM 1319 SD MET B 46 63.922 42.189 21.625 1.00 37.51 S ATOM 1320 CE MET B 46 65.346 42.858 22.485 1.00 19.34 C ATOM 1321 H MET B 46 62.821 43.631 16.758 1.00 0.00 H ATOM 1322 N ILE B 47 64.988 46.702 17.896 1.00 11.58 N ATOM 1323 CA ILE B 47 65.991 47.463 17.165 1.00 11.61 C ATOM 1324 C ILE B 47 67.071 47.890 18.146 1.00 15.46 C ATOM 1325 O ILE B 47 66.783 48.200 19.309 1.00 13.88 O ATOM 1326 CB ILE B 47 65.375 48.683 16.449 1.00 14.84 C ATOM 1327 CG1 ILE B 47 64.659 49.595 17.450 1.00 14.41 C ATOM 1328 CG2 ILE B 47 64.413 48.213 15.366 1.00 15.21 C ATOM 1329 CD1 ILE B 47 64.224 50.924 16.864 1.00 20.57 C ATOM 1330 H ILE B 47 64.550 47.133 18.735 1.00 0.00 H ATOM 1331 N GLY B 48 68.311 47.894 17.681 1.00 14.07 N ATOM 1332 CA GLY B 48 69.464 48.110 18.542 1.00 15.17 C ATOM 1333 C GLY B 48 70.227 49.360 18.161 1.00 18.83 C ATOM 1334 O GLY B 48 70.431 49.638 16.978 1.00 10.71 O ATOM 1335 H GLY B 48 68.466 47.737 16.665 1.00 0.00 H ATOM 1336 N GLY B 49 70.644 50.112 19.174 1.00 13.72 N ATOM 1337 CA GLY B 49 71.477 51.276 18.965 1.00 18.12 C ATOM 1338 C GLY B 49 72.459 51.445 20.102 1.00 12.21 C ATOM 1339 O GLY B 49 72.778 50.479 20.802 1.00 13.02 O ATOM 1340 H GLY B 49 70.364 49.857 20.143 1.00 0.00 H ATOM 1341 N ILE B 50 72.945 52.670 20.301 1.00 11.80 N ATOM 1342 CA ILE B 50 73.786 52.952 21.454 1.00 13.57 C ATOM 1343 C ILE B 50 72.981 52.700 22.719 1.00 13.87 C ATOM 1344 O ILE B 50 71.873 53.226 22.889 1.00 16.14 O ATOM 1345 CB ILE B 50 74.320 54.391 21.379 1.00 12.24 C ATOM 1346 CG1 ILE B 50 75.360 54.490 20.258 1.00 16.91 C ATOM 1347 CG2 ILE B 50 74.913 54.831 22.720 1.00 11.20 C ATOM 1348 CD1 ILE B 50 75.866 55.889 19.985 1.00 21.61 C ATOM 1349 H ILE B 50 72.721 53.430 19.627 1.00 0.00 H ATOM 1350 N GLY B 51 73.530 51.876 23.610 1.00 13.42 N ATOM 1351 CA GLY B 51 72.877 51.513 24.845 1.00 17.13 C ATOM 1352 C GLY B 51 72.167 50.175 24.811 1.00 23.45 C ATOM 1353 O GLY B 51 71.830 49.643 25.875 1.00 22.12 O ATOM 1354 H GLY B 51 74.469 51.477 23.407 1.00 0.00 H ATOM 1355 N GLY B 52 71.930 49.619 23.622 1.00 14.22 N ATOM 1356 CA GLY B 52 71.279 48.333 23.486 1.00 14.65 C ATOM 1357 C GLY B 52 69.994 48.438 22.679 1.00 17.22 C ATOM 1358 O GLY B 52 69.829 49.348 21.860 1.00 14.92 O ATOM 1359 H GLY B 52 72.223 50.127 22.763 1.00 0.00 H ATOM 1360 N PHE B 53 69.087 47.499 22.934 1.00 17.57 N ATOM 1361 CA PHE B 53 67.877 47.335 22.142 1.00 13.22 C ATOM 1362 C PHE B 53 66.652 47.841 22.892 1.00 14.19 C ATOM 1363 O PHE B 53 66.626 47.879 24.126 1.00 14.56 O ATOM 1364 CB PHE B 53 67.669 45.864 21.769 1.00 15.29 C ATOM 1365 CG PHE B 53 68.621 45.365 20.723 1.00 12.89 C ATOM 1366 CD1 PHE B 53 69.938 45.085 21.044 1.00 19.10 C ATOM 1367 CD2 PHE B 53 68.200 45.176 19.418 1.00 15.08 C ATOM 1368 CE1 PHE B 53 70.818 44.624 20.081 1.00 12.27 C ATOM 1369 CE2 PHE B 53 69.076 44.720 18.450 1.00 18.84 C ATOM 1370 CZ PHE B 53 70.388 44.443 18.784 1.00 14.77 C ATOM 1371 H PHE B 53 69.249 46.854 23.734 1.00 0.00 H ATOM 1372 N ILE B 54 65.635 48.234 22.124 1.00 12.51 N ATOM 1373 CA ILE B 54 64.313 48.534 22.654 1.00 11.66 C ATOM 1374 C ILE B 54 63.293 47.711 21.879 1.00 18.18 C ATOM 1375 O ILE B 54 63.509 47.351 20.717 1.00 12.02 O ATOM 1376 CB ILE B 54 63.963 50.040 22.577 1.00 16.97 C ATOM 1377 CG1 ILE B 54 63.960 50.535 21.126 1.00 17.03 C ATOM 1378 CG2 ILE B 54 64.936 50.854 23.421 1.00 22.59 C ATOM 1379 CD1 ILE B 54 63.319 51.900 20.952 1.00 25.66 C ATOM 1380 H ILE B 54 65.794 48.330 21.101 1.00 0.00 H ATOM 1381 N LYS B 55 62.176 47.410 22.534 1.00 13.98 N ATOM 1382 CA LYS B 55 61.075 46.702 21.898 1.00 12.35 C ATOM 1383 C LYS B 55 60.118 47.711 21.276 1.00 14.40 C ATOM 1384 O LYS B 55 59.740 48.693 21.921 1.00 15.23 O ATOM 1385 CB LYS B 55 60.339 45.826 22.912 1.00 12.97 C ATOM 1386 H LYS B 55 62.086 47.689 23.532 1.00 0.00 H ATOM 1387 N VAL B 56 59.729 47.465 20.023 1.00 16.21 N ATOM 1388 CA VAL B 56 58.844 48.360 19.292 1.00 11.12 C ATOM 1389 C VAL B 56 57.757 47.547 18.602 1.00 16.37 C ATOM 1390 O VAL B 56 57.861 46.329 18.440 1.00 16.15 O ATOM 1391 CB VAL B 56 59.606 49.215 18.254 1.00 10.99 C ATOM 1392 CG1 VAL B 56 60.630 50.105 18.942 1.00 14.82 C ATOM 1393 CG2 VAL B 56 60.285 48.330 17.218 1.00 15.51 C ATOM 1394 H VAL B 56 60.071 46.603 19.552 1.00 0.00 H ATOM 1395 N ARG B 57 56.704 48.246 18.191 1.00 12.80 N ATOM 1396 CA ARG B 57 55.605 47.658 17.438 1.00 12.95 C ATOM 1397 C ARG B 57 55.688 48.134 15.995 1.00 15.33 C ATOM 1398 O ARG B 57 55.744 49.341 15.739 1.00 15.30 O ATOM 1399 CB ARG B 57 54.256 48.042 18.047 1.00 14.34 C ATOM 1400 CG ARG B 57 54.139 47.711 19.523 1.00 17.78 C ATOM 1401 CD ARG B 57 52.708 47.832 20.023 1.00 22.95 C ATOM 1402 NE ARG B 57 52.129 49.150 19.775 1.00 21.96 N ATOM 1403 CZ ARG B 57 52.353 50.222 20.529 1.00 18.28 C ATOM 1404 NH1 ARG B 57 51.774 51.375 20.225 1.00 26.92 N ATOM 1405 NH2 ARG B 57 53.158 50.148 21.580 1.00 19.66 N ATOM 1406 HE ARG B 57 51.500 49.257 18.954 1.00 0.00 H ATOM 1407 HH12 ARG B 57 51.948 52.215 20.813 1.00 0.00 H ATOM 1408 HH11 ARG B 57 51.146 51.440 19.398 1.00 0.00 H ATOM 1409 HH22 ARG B 57 53.328 50.991 22.165 1.00 0.00 H ATOM 1410 HH21 ARG B 57 53.619 49.247 21.819 1.00 0.00 H ATOM 1411 H ARG B 57 56.663 49.260 18.418 1.00 0.00 H ATOM 1412 N GLN B 58 55.703 47.188 15.060 1.00 14.47 N ATOM 1413 CA GLN B 58 55.845 47.502 13.644 1.00 14.72 C ATOM 1414 C GLN B 58 54.468 47.608 12.999 1.00 25.22 C ATOM 1415 O GLN B 58 53.723 46.622 12.946 1.00 17.45 O ATOM 1416 CB GLN B 58 56.685 46.442 12.933 1.00 13.72 C ATOM 1417 CG GLN B 58 56.757 46.633 11.423 1.00 17.92 C ATOM 1418 CD GLN B 58 57.585 45.573 10.730 1.00 27.67 C ATOM 1419 OE1 GLN B 58 58.481 44.976 11.326 1.00 23.56 O ATOM 1420 NE2 GLN B 58 57.287 45.332 9.458 1.00 23.32 N ATOM 1421 HE22 GLN B 58 56.521 45.861 8.994 1.00 0.00 H ATOM 1422 HE21 GLN B 58 57.820 44.614 8.926 1.00 0.00 H ATOM 1423 H GLN B 58 55.610 46.193 15.349 1.00 0.00 H ATOM 1424 N TYR B 59 54.138 48.800 12.508 1.00 14.68 N ATOM 1425 CA TYR B 59 52.939 49.033 11.716 1.00 17.39 C ATOM 1426 C TYR B 59 53.338 49.265 10.265 1.00 20.50 C ATOM 1427 O TYR B 59 54.317 49.964 9.987 1.00 19.99 O ATOM 1428 CB TYR B 59 52.153 50.242 12.233 1.00 22.86 C ATOM 1429 CG TYR B 59 51.614 50.092 13.637 1.00 22.17 C ATOM 1430 CD1 TYR B 59 52.406 50.378 14.741 1.00 16.88 C ATOM 1431 CD2 TYR B 59 50.305 49.682 13.859 1.00 23.65 C ATOM 1432 CE1 TYR B 59 51.915 50.248 16.027 1.00 17.71 C ATOM 1433 CE2 TYR B 59 49.804 49.551 15.141 1.00 18.62 C ATOM 1434 CZ TYR B 59 50.614 49.834 16.220 1.00 24.38 C ATOM 1435 OH TYR B 59 50.121 49.704 17.498 1.00 21.80 O ATOM 1436 HH TYR B 59 49.345 50.307 17.614 1.00 0.00 H ATOM 1437 H TYR B 59 54.768 49.605 12.700 1.00 0.00 H ATOM 1438 N ASP B 60 52.576 48.685 9.344 1.00 16.32 N ATOM 1439 CA ASP B 60 52.879 48.755 7.923 1.00 21.59 C ATOM 1440 C ASP B 60 51.855 49.621 7.199 1.00 20.32 C ATOM 1441 O ASP B 60 50.701 49.740 7.623 1.00 20.04 O ATOM 1442 CB ASP B 60 52.908 47.355 7.301 1.00 27.35 C ATOM 1443 CG ASP B 60 54.021 46.489 7.864 1.00 37.53 C ATOM 1444 OD1 ASP B 60 55.115 47.027 8.135 1.00 28.76 O ATOM 1445 OD2 ASP B 60 53.803 45.272 8.040 1.00 25.31 O ATOM 1446 H ASP B 60 51.731 48.161 9.650 1.00 0.00 H ATOM 1447 N GLN B 61 52.299 50.231 6.100 1.00 22.40 N ATOM 1448 CA GLN B 61 51.436 51.039 5.238 1.00 27.74 C ATOM 1449 C GLN B 61 50.773 52.169 6.023 1.00 21.11 C ATOM 1450 O GLN B 61 49.564 52.396 5.936 1.00 22.56 O ATOM 1451 CB GLN B 61 50.386 50.164 4.548 1.00 27.62 C ATOM 1452 CG GLN B 61 50.976 49.109 3.628 1.00 27.19 C ATOM 1453 CD GLN B 61 51.901 49.701 2.582 1.00 46.64 C ATOM 1454 OE1 GLN B 61 53.068 49.322 2.483 1.00 60.17 O ATOM 1455 NE2 GLN B 61 51.383 50.639 1.797 1.00 42.35 N ATOM 1456 HE22 GLN B 61 50.391 50.928 1.917 1.00 0.00 H ATOM 1457 HE21 GLN B 61 51.969 51.084 1.063 1.00 0.00 H ATOM 1458 H GLN B 61 53.302 50.128 5.844 1.00 0.00 H ATOM 1459 N ILE B 62 51.583 52.888 6.791 1.00 15.26 N ATOM 1460 CA ILE B 62 51.106 54.021 7.573 1.00 19.77 C ATOM 1461 C ILE B 62 51.335 55.296 6.777 1.00 23.65 C ATOM 1462 O ILE B 62 52.426 55.519 6.241 1.00 17.70 O ATOM 1463 CB ILE B 62 51.816 54.088 8.935 1.00 17.80 C ATOM 1464 CG1 ILE B 62 51.481 52.855 9.782 1.00 18.56 C ATOM 1465 CG2 ILE B 62 51.447 55.362 9.678 1.00 23.83 C ATOM 1466 CD1 ILE B 62 49.995 52.615 10.007 1.00 26.72 C ATOM 1467 H ILE B 62 52.591 52.634 6.836 1.00 0.00 H ATOM 1468 N LEU B 63 50.306 56.135 6.710 1.00 20.66 N ATOM 1469 CA LEU B 63 50.400 57.417 6.027 1.00 26.39 C ATOM 1470 C LEU B 63 51.088 58.425 6.937 1.00 25.99 C ATOM 1471 O LEU B 63 50.762 58.528 8.123 1.00 23.51 O ATOM 1472 CB LEU B 63 49.006 57.912 5.643 1.00 27.16 C ATOM 1473 CG LEU B 63 48.132 56.897 4.902 1.00 34.71 C ATOM 1474 CD1 LEU B 63 46.666 57.287 4.970 1.00 38.61 C ATOM 1475 CD2 LEU B 63 48.585 56.778 3.463 1.00 38.61 C ATOM 1476 H LEU B 63 49.407 55.867 7.159 1.00 0.00 H ATOM 1477 N ILE B 64 52.040 59.168 6.383 1.00 21.10 N ATOM 1478 CA ILE B 64 52.785 60.154 7.159 1.00 21.53 C ATOM 1479 C ILE B 64 53.229 61.272 6.229 1.00 27.50 C ATOM 1480 O ILE B 64 53.750 61.016 5.139 1.00 32.01 O ATOM 1481 CB ILE B 64 53.993 59.520 7.878 1.00 28.52 C ATOM 1482 CG1 ILE B 64 54.847 60.599 8.543 1.00 29.30 C ATOM 1483 CG2 ILE B 64 54.827 58.705 6.904 1.00 34.69 C ATOM 1484 CD1 ILE B 64 55.729 60.071 9.655 1.00 44.74 C ATOM 1485 H ILE B 64 52.259 59.044 5.374 1.00 0.00 H ATOM 1486 N GLU B 65 53.017 62.511 6.663 1.00 18.65 N ATOM 1487 CA GLU B 65 53.387 63.694 5.899 1.00 20.37 C ATOM 1488 C GLU B 65 54.567 64.374 6.577 1.00 23.55 C ATOM 1489 O GLU B 65 54.521 64.655 7.779 1.00 23.78 O ATOM 1490 CB GLU B 65 52.204 64.657 5.786 1.00 25.72 C ATOM 1491 CG GLU B 65 52.465 65.866 4.904 1.00 18.51 C ATOM 1492 CD GLU B 65 51.216 66.696 4.682 1.00 25.37 C ATOM 1493 OE1 GLU B 65 50.255 66.170 4.084 1.00 26.04 O ATOM 1494 OE2 GLU B 65 51.191 67.866 5.116 1.00 31.06 O ATOM 1495 H GLU B 65 52.566 62.641 7.591 1.00 0.00 H ATOM 1496 N ILE B 66 55.618 64.636 5.806 1.00 17.23 N ATOM 1497 CA ILE B 66 56.869 65.187 6.318 1.00 19.94 C ATOM 1498 C ILE B 66 57.127 66.488 5.569 1.00 23.31 C ATOM 1499 O ILE B 66 57.460 66.470 4.377 1.00 21.14 O ATOM 1500 CB ILE B 66 58.039 64.207 6.146 1.00 20.38 C ATOM 1501 CG1 ILE B 66 57.703 62.842 6.756 1.00 24.53 C ATOM 1502 CG2 ILE B 66 59.305 64.757 6.796 1.00 22.24 C ATOM 1503 CD1 ILE B 66 58.479 61.697 6.144 1.00 24.82 C ATOM 1504 H ILE B 66 55.545 64.439 4.788 1.00 0.00 H ATOM 1505 N CYS B 67 56.977 67.618 6.262 1.00 29.40 N ATOM 1506 CA CYS B 67 57.166 68.935 5.650 1.00 24.61 C ATOM 1507 C CYS B 67 56.283 69.099 4.417 1.00 25.65 C ATOM 1508 O CYS B 67 56.707 69.631 3.389 1.00 29.74 O ATOM 1509 CB CYS B 67 58.632 69.170 5.285 1.00 43.47 C ATOM 1510 SG CYS B 67 59.706 69.477 6.682 1.00 43.38 S ATOM 1511 H CYS B 67 56.718 67.562 7.268 1.00 0.00 H ATOM 1512 N GLY B 68 55.040 68.640 4.521 1.00 22.49 N ATOM 1513 CA GLY B 68 54.120 68.700 3.407 1.00 30.08 C ATOM 1514 C GLY B 68 54.343 67.657 2.334 1.00 28.56 C ATOM 1515 O GLY B 68 53.557 67.601 1.379 1.00 30.30 O ATOM 1516 H GLY B 68 54.723 68.229 5.422 1.00 0.00 H ATOM 1517 N HIS B 69 55.386 66.838 2.450 1.00 19.92 N ATOM 1518 CA HIS B 69 55.632 65.755 1.506 1.00 20.97 C ATOM 1519 C HIS B 69 54.995 64.480 2.045 1.00 26.84 C ATOM 1520 O HIS B 69 55.309 64.048 3.160 1.00 19.67 O ATOM 1521 CB HIS B 69 57.130 65.552 1.284 1.00 24.44 C ATOM 1522 CG HIS B 69 57.810 66.718 0.637 1.00 29.89 C ATOM 1523 ND1 HIS B 69 58.295 66.674 -0.653 1.00 19.44 N ATOM 1524 CD2 HIS B 69 58.087 67.959 1.101 1.00 28.87 C ATOM 1525 CE1 HIS B 69 58.842 67.838 -0.955 1.00 28.97 C ATOM 1526 NE2 HIS B 69 58.729 68.635 0.092 1.00 22.34 N ATOM 1527 H HIS B 69 56.047 66.975 3.241 1.00 0.00 H ATOM 1528 N LYS B 70 54.111 63.879 1.256 1.00 19.46 N ATOM 1529 CA LYS B 70 53.389 62.696 1.697 1.00 22.83 C ATOM 1530 C LYS B 70 54.225 61.442 1.481 1.00 14.07 C ATOM 1531 O LYS B 70 54.970 61.329 0.505 1.00 15.36 O ATOM 1532 CB LYS B 70 52.060 62.573 0.954 1.00 16.51 C ATOM 1533 CG LYS B 70 51.060 63.665 1.304 1.00 27.82 C ATOM 1534 CD LYS B 70 49.723 63.441 0.618 1.00 22.73 C ATOM 1535 CE LYS B 70 48.727 64.533 0.974 1.00 25.70 C ATOM 1536 NZ LYS B 70 49.150 65.868 0.465 1.00 43.72 N ATOM 1537 HZ1 LYS B 70 50.069 66.121 0.880 1.00 0.00 H ATOM 1538 HZ2 LYS B 70 49.234 65.832 -0.571 1.00 0.00 H ATOM 1539 HZ3 LYS B 70 48.440 66.580 0.732 1.00 0.00 H ATOM 1540 H LYS B 70 53.932 64.262 0.306 1.00 0.00 H ATOM 1541 N ALA B 71 54.091 60.499 2.407 1.00 22.14 N ATOM 1542 CA ALA B 71 54.775 59.220 2.315 1.00 21.38 C ATOM 1543 C ALA B 71 53.885 58.157 2.939 1.00 23.96 C ATOM 1544 O ALA B 71 52.909 58.460 3.631 1.00 23.57 O ATOM 1545 CB ALA B 71 56.143 59.264 3.004 1.00 26.92 C ATOM 1546 H ALA B 71 53.476 60.682 3.225 1.00 0.00 H ATOM 1547 N ILE B 72 54.225 56.899 2.677 1.00 17.78 N ATOM 1548 CA ILE B 72 53.518 55.770 3.271 1.00 13.74 C ATOM 1549 C ILE B 72 54.496 54.614 3.397 1.00 19.84 C ATOM 1550 O ILE B 72 55.183 54.261 2.434 1.00 15.69 O ATOM 1551 CB ILE B 72 52.278 55.351 2.453 1.00 20.53 C ATOM 1552 CG1 ILE B 72 51.666 54.075 3.043 1.00 25.01 C ATOM 1553 CG2 ILE B 72 52.643 55.153 0.988 1.00 25.55 C ATOM 1554 CD1 ILE B 72 50.305 53.717 2.488 1.00 29.63 C ATOM 1555 H ILE B 72 55.018 56.714 2.030 1.00 0.00 H ATOM 1556 N GLY B 73 54.559 54.026 4.582 1.00 22.04 N ATOM 1557 CA GLY B 73 55.462 52.915 4.794 1.00 19.88 C ATOM 1558 C GLY B 73 55.392 52.414 6.215 1.00 13.70 C ATOM 1559 O GLY B 73 54.427 52.671 6.939 1.00 20.83 O ATOM 1560 H GLY B 73 53.959 54.363 5.361 1.00 0.00 H ATOM 1561 N THR B 74 56.440 51.699 6.606 1.00 14.72 N ATOM 1562 CA THR B 74 56.509 51.104 7.929 1.00 17.53 C ATOM 1563 C THR B 74 56.952 52.135 8.957 1.00 14.48 C ATOM 1564 O THR B 74 57.876 52.916 8.717 1.00 17.58 O ATOM 1565 CB THR B 74 57.482 49.923 7.924 1.00 28.12 C ATOM 1566 OG1 THR B 74 57.022 48.932 6.997 1.00 20.24 O ATOM 1567 CG2 THR B 74 57.599 49.301 9.310 1.00 20.86 C ATOM 1568 HG1 THR B 74 56.123 48.619 7.269 1.00 0.00 H ATOM 1569 H THR B 74 57.233 51.561 5.947 1.00 0.00 H ATOM 1570 N VAL B 75 56.280 52.136 10.106 1.00 16.58 N ATOM 1571 CA VAL B 75 56.689 52.934 11.253 1.00 11.99 C ATOM 1572 C VAL B 75 56.776 52.015 12.462 1.00 15.28 C ATOM 1573 O VAL B 75 55.915 51.151 12.661 1.00 17.97 O ATOM 1574 CB VAL B 75 55.723 54.107 11.526 1.00 20.21 C ATOM 1575 CG1 VAL B 75 55.681 55.045 10.330 1.00 20.10 C ATOM 1576 CG2 VAL B 75 54.329 53.594 11.858 1.00 26.09 C ATOM 1577 H VAL B 75 55.429 51.543 10.188 1.00 0.00 H ATOM 1578 N LEU B 76 57.823 52.197 13.258 1.00 10.87 N ATOM 1579 CA LEU B 76 58.031 51.435 14.480 1.00 14.91 C ATOM 1580 C LEU B 76 57.705 52.330 15.666 1.00 19.50 C ATOM 1581 O LEU B 76 58.230 53.443 15.770 1.00 20.63 O ATOM 1582 CB LEU B 76 59.472 50.927 14.568 1.00 10.56 C ATOM 1583 CG LEU B 76 60.033 50.284 13.296 1.00 14.10 C ATOM 1584 CD1 LEU B 76 61.503 49.953 13.478 1.00 18.78 C ATOM 1585 CD2 LEU B 76 59.246 49.039 12.909 1.00 16.04 C ATOM 1586 H LEU B 76 58.526 52.917 12.996 1.00 0.00 H ATOM 1587 N VAL B 77 56.834 51.851 16.549 1.00 14.00 N ATOM 1588 CA VAL B 77 56.369 52.620 17.698 1.00 12.84 C ATOM 1589 C VAL B 77 56.881 51.952 18.965 1.00 13.93 C ATOM 1590 O VAL B 77 56.717 50.739 19.147 1.00 13.34 O ATOM 1591 CB VAL B 77 54.834 52.737 17.715 1.00 18.04 C ATOM 1592 CG1 VAL B 77 54.375 53.599 18.886 1.00 18.29 C ATOM 1593 CG2 VAL B 77 54.332 53.317 16.399 1.00 16.37 C ATOM 1594 H VAL B 77 56.469 50.887 16.415 1.00 0.00 H ATOM 1595 N GLY B 78 57.495 52.742 19.840 1.00 14.02 N ATOM 1596 CA GLY B 78 58.039 52.234 21.075 1.00 16.34 C ATOM 1597 C GLY B 78 58.632 53.337 21.926 1.00 15.00 C ATOM 1598 O GLY B 78 58.512 54.524 21.612 1.00 15.48 O ATOM 1599 H GLY B 78 57.586 53.756 19.628 1.00 0.00 H ATOM 1600 N PRO B 79 59.291 52.961 23.026 1.00 15.04 N ATOM 1601 CA PRO B 79 59.826 53.957 23.974 1.00 19.44 C ATOM 1602 C PRO B 79 61.123 54.599 23.489 1.00 25.34 C ATOM 1603 O PRO B 79 62.169 54.532 24.142 1.00 21.52 O ATOM 1604 CB PRO B 79 60.021 53.120 25.245 1.00 15.39 C ATOM 1605 CG PRO B 79 60.349 51.763 24.738 1.00 20.55 C ATOM 1606 CD PRO B 79 59.531 51.581 23.484 1.00 23.44 C ATOM 1607 N THR B 80 61.061 55.232 22.325 1.00 16.31 N ATOM 1608 CA THR B 80 62.215 55.986 21.859 1.00 16.10 C ATOM 1609 C THR B 80 62.188 57.392 22.458 1.00 14.35 C ATOM 1610 O THR B 80 61.115 57.980 22.611 1.00 15.49 O ATOM 1611 CB THR B 80 62.239 56.076 20.332 1.00 16.86 C ATOM 1612 OG1 THR B 80 63.339 56.898 19.921 1.00 13.92 O ATOM 1613 CG2 THR B 80 60.939 56.666 19.786 1.00 14.13 C ATOM 1614 HG1 THR B 80 63.233 57.805 20.305 1.00 0.00 H ATOM 1615 H THR B 80 60.195 55.190 21.750 1.00 0.00 H ATOM 1616 N PRO B 81 63.348 57.949 22.822 1.00 15.91 N ATOM 1617 CA PRO B 81 63.365 59.317 23.363 1.00 23.09 C ATOM 1618 C PRO B 81 63.117 60.391 22.319 1.00 21.91 C ATOM 1619 O PRO B 81 62.916 61.555 22.691 1.00 18.92 O ATOM 1620 CB PRO B 81 64.775 59.443 23.954 1.00 27.78 C ATOM 1621 CG PRO B 81 65.597 58.497 23.157 1.00 24.04 C ATOM 1622 CD PRO B 81 64.694 57.348 22.802 1.00 20.07 C ATOM 1623 N VAL B 82 63.131 60.045 21.031 1.00 15.41 N ATOM 1624 CA VAL B 82 62.997 61.020 19.954 1.00 15.02 C ATOM 1625 C VAL B 82 62.307 60.342 18.779 1.00 12.73 C ATOM 1626 O VAL B 82 62.484 59.144 18.539 1.00 14.74 O ATOM 1627 CB VAL B 82 64.373 61.590 19.527 1.00 16.98 C ATOM 1628 CG1 VAL B 82 64.214 62.619 18.413 1.00 22.22 C ATOM 1629 CG2 VAL B 82 65.105 62.207 20.715 1.00 15.52 C ATOM 1630 H VAL B 82 63.242 59.041 20.785 1.00 0.00 H ATOM 1631 N ASN B 83 61.515 61.119 18.042 1.00 13.16 N ATOM 1632 CA ASN B 83 60.908 60.632 16.811 1.00 13.11 C ATOM 1633 C ASN B 83 61.947 60.665 15.698 1.00 14.03 C ATOM 1634 O ASN B 83 62.642 61.671 15.516 1.00 12.73 O ATOM 1635 CB ASN B 83 59.695 61.480 16.432 1.00 17.92 C ATOM 1636 CG ASN B 83 58.557 61.347 17.423 1.00 24.38 C ATOM 1637 OD1 ASN B 83 58.195 60.242 17.827 1.00 20.28 O ATOM 1638 ND2 ASN B 83 57.990 62.475 17.825 1.00 15.06 N ATOM 1639 HD22 ASN B 83 58.328 63.387 17.457 1.00 0.00 H ATOM 1640 HD21 ASN B 83 57.207 62.448 18.508 1.00 0.00 H ATOM 1641 H ASN B 83 61.326 62.094 18.352 1.00 0.00 H ATOM 1642 N ILE B 84 62.045 59.567 14.952 1.00 9.45 N ATOM 1643 CA ILE B 84 63.126 59.347 13.998 1.00 13.64 C ATOM 1644 C ILE B 84 62.515 59.014 12.645 1.00 13.29 C ATOM 1645 O ILE B 84 61.829 57.994 12.509 1.00 11.36 O ATOM 1646 CB ILE B 84 64.062 58.214 14.456 1.00 14.05 C ATOM 1647 CG1 ILE B 84 64.776 58.604 15.752 1.00 15.14 C ATOM 1648 CG2 ILE B 84 65.082 57.871 13.371 1.00 10.94 C ATOM 1649 CD1 ILE B 84 65.440 57.440 16.455 1.00 18.97 C ATOM 1650 H ILE B 84 61.317 58.832 15.054 1.00 0.00 H ATOM 1651 N ILE B 85 62.767 59.861 11.651 1.00 11.40 N ATOM 1652 CA ILE B 85 62.403 59.565 10.269 1.00 12.46 C ATOM 1653 C ILE B 85 63.602 58.886 9.618 1.00 10.27 C ATOM 1654 O ILE B 85 64.658 59.502 9.443 1.00 13.68 O ATOM 1655 CB ILE B 85 61.996 60.826 9.499 1.00 10.43 C ATOM 1656 CG1 ILE B 85 60.887 61.582 10.238 1.00 15.93 C ATOM 1657 CG2 ILE B 85 61.545 60.458 8.089 1.00 11.33 C ATOM 1658 CD1 ILE B 85 59.633 60.757 10.506 1.00 18.71 C ATOM 1659 H ILE B 85 63.238 60.763 11.865 1.00 0.00 H ATOM 1660 N GLY B 86 63.436 57.615 9.250 1.00 11.32 N ATOM 1661 CA GLY B 86 64.507 56.829 8.682 1.00 13.35 C ATOM 1662 C GLY B 86 64.466 56.788 7.161 1.00 9.80 C ATOM 1663 O GLY B 86 63.602 57.365 6.506 1.00 13.47 O ATOM 1664 H GLY B 86 62.503 57.174 9.376 1.00 0.00 H ATOM 1665 N ARG B 87 65.432 56.056 6.603 1.00 12.22 N ATOM 1666 CA ARG B 87 65.627 56.053 5.157 1.00 13.08 C ATOM 1667 C ARG B 87 64.416 55.503 4.412 1.00 15.28 C ATOM 1668 O ARG B 87 64.196 55.859 3.248 1.00 15.22 O ATOM 1669 CB ARG B 87 66.876 55.247 4.801 1.00 11.22 C ATOM 1670 CG ARG B 87 68.163 55.854 5.329 1.00 14.65 C ATOM 1671 CD ARG B 87 69.392 55.141 4.785 1.00 12.95 C ATOM 1672 NE ARG B 87 69.470 53.756 5.243 1.00 13.44 N ATOM 1673 CZ ARG B 87 69.105 52.691 4.531 1.00 15.07 C ATOM 1674 NH1 ARG B 87 68.633 52.821 3.298 1.00 15.01 N ATOM 1675 NH2 ARG B 87 69.221 51.481 5.058 1.00 17.68 N ATOM 1676 HE ARG B 87 69.840 53.588 6.200 1.00 0.00 H ATOM 1677 HH12 ARG B 87 68.353 51.978 2.757 1.00 0.00 H ATOM 1678 HH11 ARG B 87 68.543 53.766 2.873 1.00 0.00 H ATOM 1679 HH22 ARG B 87 68.938 50.645 4.508 1.00 0.00 H ATOM 1680 HH21 ARG B 87 69.595 51.367 6.022 1.00 0.00 H ATOM 1681 H ARG B 87 66.054 55.480 7.206 1.00 0.00 H ATOM 1682 N ASN B 88 63.623 54.639 5.050 1.00 11.93 N ATOM 1683 CA ASN B 88 62.474 54.068 4.356 1.00 16.04 C ATOM 1684 C ASN B 88 61.495 55.150 3.915 1.00 17.43 C ATOM 1685 O ASN B 88 60.783 54.973 2.921 1.00 16.11 O ATOM 1686 CB ASN B 88 61.770 53.035 5.242 1.00 13.04 C ATOM 1687 CG ASN B 88 61.046 53.662 6.417 1.00 18.45 C ATOM 1688 OD1 ASN B 88 61.612 54.463 7.159 1.00 14.74 O ATOM 1689 ND2 ASN B 88 59.778 53.298 6.590 1.00 18.95 N ATOM 1690 HD22 ASN B 88 59.339 52.617 5.938 1.00 0.00 H ATOM 1691 HD21 ASN B 88 59.226 53.694 7.377 1.00 0.00 H ATOM 1692 H ASN B 88 63.823 54.375 6.036 1.00 0.00 H ATOM 1693 N LEU B 89 61.450 56.275 4.629 1.00 12.93 N ATOM 1694 CA LEU B 89 60.603 57.398 4.248 1.00 12.27 C ATOM 1695 C LEU B 89 61.371 58.580 3.679 1.00 15.29 C ATOM 1696 O LEU B 89 60.805 59.339 2.888 1.00 15.94 O ATOM 1697 CB LEU B 89 59.781 57.873 5.453 1.00 14.20 C ATOM 1698 CG LEU B 89 58.901 56.802 6.104 1.00 13.80 C ATOM 1699 CD1 LEU B 89 58.167 57.389 7.294 1.00 19.90 C ATOM 1700 CD2 LEU B 89 57.914 56.211 5.108 1.00 14.65 C ATOM 1701 H LEU B 89 62.037 56.354 5.484 1.00 0.00 H ATOM 1702 N LEU B 90 62.640 58.762 4.057 1.00 10.83 N ATOM 1703 CA LEU B 90 63.430 59.847 3.482 1.00 10.64 C ATOM 1704 C LEU B 90 63.556 59.693 1.972 1.00 13.51 C ATOM 1705 O LEU B 90 63.546 60.688 1.237 1.00 18.79 O ATOM 1706 CB LEU B 90 64.816 59.896 4.127 1.00 10.25 C ATOM 1707 CG LEU B 90 64.898 60.226 5.619 1.00 9.33 C ATOM 1708 CD1 LEU B 90 66.339 60.107 6.095 1.00 13.59 C ATOM 1709 CD2 LEU B 90 64.356 61.612 5.919 1.00 13.40 C ATOM 1710 H LEU B 90 63.066 58.129 4.763 1.00 0.00 H ATOM 1711 N THR B 91 63.687 58.454 1.488 1.00 13.15 N ATOM 1712 CA THR B 91 63.742 58.232 0.047 1.00 18.32 C ATOM 1713 C THR B 91 62.442 58.644 -0.630 1.00 22.15 C ATOM 1714 O THR B 91 62.459 59.104 -1.778 1.00 20.02 O ATOM 1715 CB THR B 91 64.036 56.762 -0.262 1.00 22.41 C ATOM 1716 OG1 THR B 91 63.064 55.927 0.379 1.00 19.86 O ATOM 1717 CG2 THR B 91 65.431 56.372 0.202 1.00 21.26 C ATOM 1718 HG1 THR B 91 63.102 56.070 1.358 1.00 0.00 H ATOM 1719 H THR B 91 63.750 57.646 2.140 1.00 0.00 H ATOM 1720 N GLN B 92 61.310 58.489 0.060 1.00 20.49 N ATOM 1721 CA GLN B 92 60.018 58.786 -0.546 1.00 14.83 C ATOM 1722 C GLN B 92 59.771 60.280 -0.693 1.00 26.43 C ATOM 1723 O GLN B 92 58.963 60.678 -1.539 1.00 22.28 O ATOM 1724 CB GLN B 92 58.895 58.161 0.278 1.00 17.90 C ATOM 1725 CG GLN B 92 58.987 56.652 0.404 1.00 17.13 C ATOM 1726 CD GLN B 92 57.765 56.053 1.068 1.00 23.31 C ATOM 1727 OE1 GLN B 92 56.676 56.624 1.017 1.00 22.71 O ATOM 1728 NE2 GLN B 92 57.940 54.901 1.704 1.00 24.54 N ATOM 1729 HE22 GLN B 92 58.879 54.454 1.721 1.00 0.00 H ATOM 1730 HE21 GLN B 92 57.138 54.446 2.185 1.00 0.00 H ATOM 1731 H GLN B 92 61.350 58.152 1.043 1.00 0.00 H ATOM 1732 N ILE B 93 60.434 61.113 0.109 1.00 17.30 N ATOM 1733 CA ILE B 93 60.304 62.560 -0.009 1.00 19.64 C ATOM 1734 C ILE B 93 61.459 63.167 -0.798 1.00 18.91 C ATOM 1735 O ILE B 93 61.567 64.393 -0.889 1.00 26.75 O ATOM 1736 CB ILE B 93 60.171 63.220 1.375 1.00 22.66 C ATOM 1737 CG1 ILE B 93 61.464 63.074 2.184 1.00 23.41 C ATOM 1738 CG2 ILE B 93 58.993 62.606 2.133 1.00 18.38 C ATOM 1739 CD1 ILE B 93 61.458 63.843 3.495 1.00 22.06 C ATOM 1740 H ILE B 93 61.061 60.720 0.839 1.00 0.00 H ATOM 1741 N GLY B 94 62.328 62.335 -1.370 1.00 18.53 N ATOM 1742 CA GLY B 94 63.407 62.824 -2.205 1.00 23.30 C ATOM 1743 C GLY B 94 64.573 63.415 -1.450 1.00 25.13 C ATOM 1744 O GLY B 94 65.242 64.316 -1.966 1.00 20.14 O ATOM 1745 H GLY B 94 62.230 61.311 -1.214 1.00 0.00 H ATOM 1746 N CYS B 95 64.847 62.927 -0.244 1.00 21.91 N ATOM 1747 CA CYS B 95 65.892 63.504 0.589 1.00 18.07 C ATOM 1748 C CYS B 95 67.250 62.907 0.242 1.00 19.65 C ATOM 1749 O CYS B 95 67.388 61.687 0.105 1.00 21.19 O ATOM 1750 CB CYS B 95 65.574 63.273 2.066 1.00 18.64 C ATOM 1751 SG CYS B 95 66.678 64.143 3.198 1.00 21.54 S ATOM 1752 H CYS B 95 64.303 62.115 0.112 1.00 0.00 H ATOM 1753 N THR B 96 68.253 63.774 0.106 1.00 16.11 N ATOM 1754 CA THR B 96 69.624 63.361 -0.152 1.00 15.06 C ATOM 1755 C THR B 96 70.565 64.051 0.826 1.00 15.07 C ATOM 1756 O THR B 96 70.229 65.070 1.432 1.00 15.71 O ATOM 1757 CB THR B 96 70.067 63.696 -1.587 1.00 20.90 C ATOM 1758 OG1 THR B 96 69.814 65.080 -1.862 1.00 17.16 O ATOM 1759 CG2 THR B 96 69.337 62.831 -2.603 1.00 24.80 C ATOM 1760 HG1 THR B 96 68.846 65.263 -1.766 1.00 0.00 H ATOM 1761 H THR B 96 68.047 64.790 0.188 1.00 0.00 H ATOM 1762 N LEU B 97 71.751 63.468 0.978 1.00 13.81 N ATOM 1763 CA LEU B 97 72.880 64.123 1.622 1.00 18.07 C ATOM 1764 C LEU B 97 73.767 64.739 0.550 1.00 20.24 C ATOM 1765 O LEU B 97 73.976 64.143 -0.511 1.00 22.51 O ATOM 1766 CB LEU B 97 73.698 63.138 2.459 1.00 19.80 C ATOM 1767 CG LEU B 97 73.100 62.647 3.773 1.00 21.23 C ATOM 1768 CD1 LEU B 97 73.920 61.479 4.299 1.00 17.23 C ATOM 1769 CD2 LEU B 97 73.061 63.772 4.794 1.00 19.53 C ATOM 1770 H LEU B 97 71.877 62.500 0.620 1.00 0.00 H ATOM 1771 N ASN B 98 74.294 65.929 0.829 1.00 17.34 N ATOM 1772 CA ASN B 98 75.084 66.660 -0.153 1.00 19.26 C ATOM 1773 C ASN B 98 76.273 67.324 0.522 1.00 21.70 C ATOM 1774 O ASN B 98 76.107 68.040 1.514 1.00 17.17 O ATOM 1775 CB ASN B 98 74.233 67.719 -0.860 1.00 17.41 C ATOM 1776 CG ASN B 98 73.024 67.126 -1.554 1.00 26.44 C ATOM 1777 OD1 ASN B 98 72.009 66.838 -0.919 1.00 24.30 O ATOM 1778 ND2 ASN B 98 73.124 66.945 -2.865 1.00 24.06 N ATOM 1779 HD22 ASN B 98 74.001 67.203 -3.360 1.00 0.00 H ATOM 1780 HD21 ASN B 98 72.325 66.545 -3.397 1.00 0.00 H ATOM 1781 H ASN B 98 74.138 66.346 1.769 1.00 0.00 H ATOM 1782 N PHE B 99 77.464 67.088 -0.022 1.00 20.78 N ATOM 1783 CA PHE B 99 78.661 67.813 0.388 1.00 18.46 C ATOM 1784 C PHE B 99 79.712 67.763 -0.715 1.00 32.77 C ATOM 1785 O PHE B 99 80.761 68.399 -0.622 1.00 27.94 O ATOM 1786 CB PHE B 99 79.235 67.251 1.693 1.00 20.95 C ATOM 1787 CG PHE B 99 79.639 65.806 1.616 1.00 18.07 C ATOM 1788 CD1 PHE B 99 78.731 64.805 1.909 1.00 21.43 C ATOM 1789 CD2 PHE B 99 80.935 65.452 1.277 1.00 21.86 C ATOM 1790 CE1 PHE B 99 79.101 63.475 1.850 1.00 21.39 C ATOM 1791 CE2 PHE B 99 81.312 64.124 1.218 1.00 30.43 C ATOM 1792 CZ PHE B 99 80.394 63.134 1.504 1.00 25.98 C ATOM 1793 OXT PHE B 99 79.530 67.087 -1.727 1.00 27.14 O ATOM 1794 H PHE B 99 77.544 66.363 -0.763 1.00 0.00 H TER 1795 PHE B 99 HETATM 1796 O HOH 1 40.523 49.907 14.614 1.00 40.34 O HETATM 1797 O HOH 2 60.976 71.258 16.473 1.00 35.22 O HETATM 1798 O HOH 3 51.648 44.383 7.539 1.00 42.33 O HETATM 1799 O HOH 4 59.921 51.953 9.496 1.00 20.51 O HETATM 1800 O HOH 5 56.334 62.399 -1.221 1.00 22.18 O HETATM 1801 O HOH 6 81.638 70.045 1.024 1.00 29.24 O HETATM 1802 O HOH 7 54.933 72.670 12.786 1.00 35.37 O HETATM 1803 O HOH 8 52.203 63.588 19.958 1.00 34.17 O HETATM 1804 O HOH 9 71.360 48.526 14.922 1.00 37.04 O HETATM 1805 O HOH 10 48.604 58.305 9.422 1.00 19.30 O HETATM 1806 O HOH 11 67.641 65.738 -3.043 1.00 20.42 O HETATM 1807 O HOH 12 69.288 70.958 11.198 1.00 18.67 O HETATM 1808 O HOH 13 57.517 48.593 23.204 1.00 30.72 O HETATM 1809 O HOH 14 63.337 53.134 25.989 1.00 26.68 O HETATM 1810 O HOH 15 61.340 66.174 -2.768 1.00 26.92 O HETATM 1811 O HOH 16 71.365 52.198 9.377 1.00 18.21 O HETATM 1812 O HOH 17 66.585 71.662 15.695 1.00 20.60 O HETATM 1813 O HOH 18 44.261 60.980 15.906 1.00 22.58 O HETATM 1814 O HOH 19 64.370 65.005 -4.374 1.00 17.91 O HETATM 1815 O HOH 20 46.308 66.687 15.636 1.00 28.42 O HETATM 1816 O HOH 21 43.648 63.608 15.239 1.00 18.67 O HETATM 1817 O HOH 22 67.131 59.496 -1.374 1.00 14.49 O HETATM 1818 O HOH 23 82.496 68.296 -2.635 1.00 37.85 O HETATM 1819 O HOH 24 47.338 48.913 17.391 1.00 25.49 O HETATM 1820 O HOH 25 57.999 64.357 -1.981 1.00 30.68 O HETATM 1821 O HOH 26 64.396 48.163 6.858 1.00 34.66 O HETATM 1822 O HOH 27 71.455 74.175 11.189 1.00 19.94 O HETATM 1823 O HOH 28 41.562 47.277 13.077 1.00 41.78 O HETATM 1824 O HOH 29 58.651 57.283 23.526 1.00 28.06 O HETATM 1825 O HOH 30 57.806 39.548 15.072 1.00 24.49 O HETATM 1826 O HOH 31 62.278 47.985 25.200 1.00 23.77 O HETATM 1827 O HOH 32 60.373 52.709 1.437 1.00 30.13 O HETATM 1828 O HOH 33 66.833 50.807 2.807 1.00 29.80 O HETATM 1829 O HOH 34 59.580 71.244 -0.049 1.00 27.16 O HETATM 1830 O HOH 35 50.249 41.175 13.229 1.00 32.54 O HETATM 1831 O HOH 36 67.131 47.095 8.530 1.00 33.54 O HETATM 1832 O HOH 37 60.965 45.111 10.115 1.00 27.57 O HETATM 1833 O HOH 38 71.185 54.178 7.410 1.00 14.21 O HETATM 1834 O HOH 39 64.879 59.882 -2.889 1.00 24.20 O HETATM 1835 O HOH 40 42.490 45.319 14.456 1.00 44.56 O HETATM 1836 O HOH 41 54.757 49.466 5.045 1.00 20.28 O HETATM 1837 O HOH 42 50.565 46.989 10.251 1.00 26.99 O HETATM 1838 O HOH 43 58.872 71.395 9.824 1.00 24.61 O HETATM 1839 O HOH 44 47.394 50.975 6.992 1.00 35.74 O HETATM 1840 O HOH 45 49.514 61.897 7.827 1.00 27.46 O HETATM 1841 O HOH 46 67.700 48.928 26.501 1.00 27.37 O HETATM 1842 O HOH 47 71.766 76.621 3.757 1.00 40.26 O HETATM 1843 O HOH 48 59.420 72.348 12.892 1.00 34.68 O HETATM 1844 O HOH 49 65.146 71.268 10.377 1.00 25.29 O HETATM 1845 O HOH 50 65.366 51.278 4.824 1.00 21.64 O HETATM 1846 O HOH 51 64.457 42.833 13.103 1.00 38.63 O HETATM 1847 O HOH 52 61.128 63.912 18.575 1.00 23.13 O HETATM 1848 O HOH 53 54.749 69.533 16.089 1.00 24.59 O HETATM 1849 O HOH 54 69.224 49.184 3.373 1.00 38.09 O HETATM 1850 O HOH 55 65.369 46.538 10.684 1.00 24.64 O HETATM 1851 O HOH 56 73.605 71.865 -1.918 1.00 39.26 O HETATM 1852 O HOH 57 47.960 48.725 11.486 1.00 36.03 O HETATM 1853 O HOH 58 48.552 67.240 16.821 1.00 24.70 O HETATM 1854 O HOH 59 58.537 51.304 4.643 1.00 17.55 O HETATM 1855 O HOH 60 48.581 42.987 16.100 1.00 24.81 O HETATM 1856 O HOH 61 65.604 66.506 19.894 1.00 28.25 O HETATM 1857 O HOH 62 69.162 45.967 25.457 1.00 33.74 O HETATM 1858 O HOH 63 50.755 65.300 18.902 1.00 32.96 O HETATM 1859 O HOH 64 68.562 46.999 14.875 1.00 15.61 O HETATM 1860 O HOH 65 70.683 63.350 23.598 1.00 41.13 O HETATM 1861 O HOH 66 77.083 72.379 15.680 1.00 30.69 O HETATM 1862 O HOH 67 49.582 52.336 24.308 1.00 44.17 O HETATM 1863 O HOH 68 66.974 44.013 14.366 1.00 40.79 O HETATM 1864 O HOH 69 61.032 59.087 -4.469 1.00 27.63 O HETATM 1865 O HOH 70 75.454 67.973 -4.589 1.00 34.20 O HETATM 1866 O HOH 71 56.812 66.055 19.184 1.00 22.81 O HETATM 1867 O HOH 72 69.966 70.973 18.298 1.00 22.71 O HETATM 1868 O HOH 73 45.270 46.407 10.390 1.00 32.68 O HETATM 1869 O HOH 74 65.365 75.878 2.258 1.00 38.18 O HETATM 1870 O HOH 75 46.916 61.382 9.243 1.00 38.44 O HETATM 1871 O HOH 76 46.363 51.743 10.606 1.00 43.40 O HETATM 1872 O HOH 77 53.446 47.763 23.759 1.00 43.19 O HETATM 1873 O HOH 78 46.503 67.398 1.555 1.00 38.47 O HETATM 1874 O HOH 79 45.384 51.258 25.397 1.00 50.76 O HETATM 1875 O HOH 80 50.488 50.096 23.649 1.00 36.75 O HETATM 1876 O HOH 81 53.612 68.221 7.588 1.00 34.04 O HETATM 1877 O HOH 82 60.952 46.866 8.987 1.00 33.27 O HETATM 1878 O HOH 83 59.660 62.080 21.192 1.00 35.17 O HETATM 1879 O HOH 84 76.440 76.963 6.365 1.00 31.14 O HETATM 1880 O HOH 85 67.169 72.370 11.228 1.00 25.71 O HETATM 1881 O HOH 86 58.242 51.323 2.556 1.00 42.23 O HETATM 1882 O HOH 87 51.945 69.458 8.415 1.00 47.37 O HETATM 1883 O HOH 88 58.550 61.439 24.591 1.00 42.19 O HETATM 1884 O HOH 89 59.892 57.265 -3.878 1.00 30.64 O HETATM 1885 O HOH 90 59.558 64.209 20.901 1.00 42.72 O HETATM 1886 O HOH 91 68.365 74.682 10.300 1.00 30.20 O HETATM 1887 O HOH 92 66.216 68.603 20.422 1.00 31.05 O HETATM 1888 O HOH 93 71.921 72.370 18.826 1.00 42.43 O HETATM 1889 O HOH 94 68.089 71.316 18.858 1.00 36.20 O HETATM 1890 O HOH 95 74.545 77.432 4.141 1.00 33.59 O HETATM 1891 O HOH 96 67.170 46.094 12.897 1.00 33.73 O HETATM 1892 O HOH 97 60.328 54.485 -2.576 1.00 42.82 O HETATM 1893 O HOH 98 76.098 71.057 -1.538 1.00 33.80 O HETATM 1894 O HOH 99 76.284 73.982 5.995 1.00 33.89 O HETATM 1895 O HOH 100 72.362 46.179 14.720 1.00 47.08 O HETATM 1896 O HOH 101 67.768 62.150 23.871 1.00 44.80 O HETATM 1897 O HOH 102 62.946 65.966 19.809 1.00 23.67 O HETATM 1898 O HOH 103 80.702 65.953 19.633 1.00 27.69 O HETATM 1899 O HOH 104 60.968 69.821 -2.712 1.00 37.30 O HETATM 1900 O HOH 105 91.685 64.198 23.664 1.00 28.98 O HETATM 1901 O HOH 106 85.011 48.961 13.844 1.00 41.08 O HETATM 1902 O HOH 107 93.779 60.970 13.117 1.00 22.84 O HETATM 1903 O HOH 108 82.628 70.386 15.112 1.00 23.70 O HETATM 1904 O HOH 109 77.107 68.089 17.529 1.00 26.00 O HETATM 1905 O HOH 110 71.296 55.008 19.353 1.00 9.70 O HETATM 1906 O HOH 111 77.239 67.361 21.204 1.00 40.75 O HETATM 1907 O HOH 112 73.435 55.947 0.653 1.00 19.19 O HETATM 1908 O HOH 113 87.049 52.822 0.039 1.00 23.40 O HETATM 1909 O HOH 114 70.330 56.338 -6.212 1.00 23.79 O HETATM 1910 O HOH 115 86.571 70.220 5.232 1.00 29.35 O HETATM 1911 O HOH 116 65.713 53.626 25.744 1.00 29.77 O HETATM 1912 O HOH 117 75.595 51.201 1.581 1.00 26.54 O HETATM 1913 O HOH 118 69.831 68.197 -5.756 1.00 31.76 O HETATM 1914 O HOH 119 89.093 71.341 15.580 1.00 17.13 O HETATM 1915 O HOH 120 77.744 53.412 0.650 1.00 41.49 O HETATM 1916 O HOH 121 80.458 49.379 8.378 1.00 34.77 O HETATM 1917 O HOH 122 75.605 71.585 7.715 1.00 16.82 O HETATM 1918 O HOH 123 87.560 68.448 19.362 1.00 17.29 O HETATM 1919 O HOH 124 71.111 54.996 -2.465 1.00 19.21 O HETATM 1920 O HOH 125 98.895 55.706 8.368 1.00 34.71 O HETATM 1921 O HOH 126 81.202 47.863 18.734 1.00 16.60 O HETATM 1922 O HOH 127 70.954 65.307 15.008 1.00 12.35 O HETATM 1923 O HOH 128 71.076 50.538 12.287 1.00 29.24 O HETATM 1924 O HOH 129 70.358 63.989 17.520 1.00 11.44 O HETATM 1925 O HOH 130 75.738 50.063 22.779 1.00 20.69 O HETATM 1926 O HOH 131 75.740 71.131 1.166 1.00 22.50 O HETATM 1927 O HOH 132 79.788 62.116 30.369 1.00 31.24 O HETATM 1928 O HOH 133 92.792 61.503 8.907 1.00 26.21 O HETATM 1929 O HOH 134 83.857 51.921 26.937 1.00 44.00 O HETATM 1930 O HOH 135 75.894 46.374 14.620 1.00 31.96 O HETATM 1931 O HOH 136 75.716 70.295 17.106 1.00 44.15 O HETATM 1932 O HOH 137 73.579 50.817 29.712 1.00 20.47 O HETATM 1933 O HOH 138 83.620 48.330 19.996 1.00 12.49 O HETATM 1934 O HOH 139 71.691 68.003 21.519 1.00 42.10 O HETATM 1935 O HOH 140 90.843 71.844 4.915 1.00 37.54 O HETATM 1936 O HOH 141 79.567 46.359 14.012 1.00 25.50 O HETATM 1937 O HOH 142 85.886 49.869 11.866 1.00 36.94 O HETATM 1938 O HOH 143 80.981 49.794 12.129 1.00 17.53 O HETATM 1939 O HOH 144 69.213 58.549 25.441 1.00 30.93 O HETATM 1940 O HOH 145 91.731 66.136 9.010 1.00 25.67 O HETATM 1941 O HOH 146 79.040 72.012 0.952 1.00 36.10 O HETATM 1942 O HOH 147 84.893 57.245 1.159 1.00 38.13 O HETATM 1943 O HOH 148 83.802 63.021 -2.167 1.00 38.41 O HETATM 1944 O HOH 149 79.225 51.051 28.695 1.00 17.56 O HETATM 1945 O HOH 150 73.675 70.697 18.306 1.00 34.09 O HETATM 1946 O HOH 151 81.915 63.325 18.847 1.00 13.73 O HETATM 1947 O HOH 152 86.347 51.886 14.935 1.00 27.14 O HETATM 1948 O HOH 153 83.921 68.291 17.428 1.00 18.30 O HETATM 1949 O HOH 154 85.606 63.624 31.445 1.00 31.29 O HETATM 1950 O HOH 155 68.278 72.202 -1.831 1.00 33.57 O HETATM 1951 O HOH 156 66.329 70.423 -2.868 1.00 29.78 O HETATM 1952 O HOH 157 75.002 65.190 22.434 1.00 31.12 O HETATM 1953 O HOH 158 76.368 58.903 -4.802 1.00 36.51 O HETATM 1954 O HOH 159 74.225 61.752 25.627 1.00 24.29 O HETATM 1955 O HOH 160 95.154 54.818 27.296 1.00 35.60 O HETATM 1956 O HOH 161 93.092 69.248 1.730 1.00 48.70 O HETATM 1957 O HOH 162 83.898 51.648 3.490 1.00 40.91 O HETATM 1958 O HOH 163 89.420 48.772 11.257 1.00 41.89 O HETATM 1959 O HOH 164 83.767 56.571 30.369 1.00 26.51 O HETATM 1960 O HOH 165 74.022 58.116 -4.278 1.00 25.89 O HETATM 1961 O HOH 166 85.551 49.670 9.517 1.00 26.12 O HETATM 1962 O HOH 167 78.031 64.793 24.164 1.00 48.95 O HETATM 1963 O HOH 168 94.298 51.143 6.759 1.00 34.29 O HETATM 1964 O HOH 169 72.356 49.223 2.583 1.00 32.47 O HETATM 1965 O HOH 170 99.641 58.077 22.380 1.00 31.57 O HETATM 1966 O HOH 171 78.024 73.273 7.296 1.00 42.28 O HETATM 1967 O HOH 172 83.694 64.513 32.690 1.00 38.38 O HETATM 1968 O HOH 173 79.356 71.972 14.631 1.00 29.53 O HETATM 1969 O HOH 174 73.248 61.974 23.731 1.00 38.94 O HETATM 1970 O HOH 175 88.430 59.388 2.951 1.00 33.97 O HETATM 1971 O HOH 176 94.623 60.533 10.509 1.00 32.97 O HETATM 1972 O HOH 177 82.102 49.386 9.978 1.00 30.53 O HETATM 1973 O HOH 178 84.387 71.022 -0.140 1.00 38.78 O HETATM 1974 O HOH 179 82.472 60.097 33.205 1.00 43.98 O HETATM 1975 O HOH 180 89.836 59.985 1.499 1.00 40.75 O HETATM 1976 O HOH 181 82.676 52.759 1.247 1.00 40.79 O HETATM 1977 O HOH 182 83.412 56.311 0.147 1.00 26.01 O HETATM 1978 O HOH 183 72.885 69.341 20.335 1.00 42.05 O HETATM 1979 O HOH 184 73.465 50.430 10.492 1.00 29.50 O HETATM 1980 O HOH 185 75.687 55.271 -0.358 1.00 26.12 O HETATM 1981 O HOH 186 65.252 51.808 1.777 1.00 40.98 O HETATM 1982 O HOH 187 79.396 63.754 25.801 1.00 54.91 O HETATM 1983 O HOH 188 81.798 68.019 19.732 1.00 31.15 O HETATM 1984 O HOH 189 84.207 68.694 27.028 1.00 47.91 O HETATM 1985 O HOH 190 93.012 63.886 8.274 1.00 32.92 O HETATM 1986 O HOH 191 83.288 72.583 3.107 1.00 42.71 O HETATM 1987 O HOH 192 80.916 65.153 23.187 1.00 37.15 O HETATM 1988 O HOH 193 81.257 52.000 35.617 1.00 48.09 O HETATM 1989 O HOH 194 94.950 68.544 21.364 1.00 37.72 O HETATM 1990 O HOH 195 78.786 70.432 16.422 1.00 36.75 O HETATM 1991 O HOH 196 86.509 48.239 8.535 1.00 40.16 O HETATM 1992 O HOH 197 87.460 50.122 4.733 1.00 44.64 O HETATM 1993 O HOH 198 83.730 65.504 -3.827 1.00 47.51 O HETATM 1994 O HOH 199 78.698 74.575 5.869 1.00 36.86 O HETATM 1995 O HOH 200 81.132 71.978 15.921 1.00 36.94 O HETATM 1996 O HOH 201 67.354 68.016 -4.515 1.00 23.69 O HETATM 1997 O HOH 202 74.172 48.416 2.684 1.00 41.16 O HETATM 1998 O HOH 203 70.628 53.035 -4.651 1.00 28.53 O HETATM 1999 O HOH 204 75.964 50.595 9.274 1.00 40.07 O HETATM 2000 O HOH 205 87.242 68.202 31.380 1.00 45.22 O HETATM 2001 C13 NJG A 206 70.898 57.488 15.141 1.00 0.10 C HETATM 2002 C15 NJG A 206 70.526 57.832 16.580 1.00 0.08 C HETATM 2003 C28 NJG A 206 69.116 58.437 16.672 1.00 0.01 C HETATM 2004 C29 NJG A 206 68.878 58.903 18.135 1.00 -0.04 C HETATM 2005 C30 NJG A 206 68.495 57.883 19.211 1.00 -0.06 C HETATM 2006 C31 NJG A 206 68.265 58.344 20.656 1.00 -0.07 C HETATM 2007 C32 NJG A 206 68.418 59.819 21.022 1.00 -0.07 C HETATM 2008 C33 NJG A 206 68.803 60.843 19.943 1.00 -0.07 C HETATM 2009 C34 NJG A 206 69.034 60.385 18.505 1.00 -0.06 C HETATM 2010 H26 NJG A 206 69.308 61.107 17.744 1.00 0.06 H HETATM 2011 H25 NJG A 206 68.910 61.890 20.203 1.00 0.06 H HETATM 2012 H24 NJG A 206 68.255 60.144 22.043 1.00 0.06 H HETATM 2013 H23 NJG A 206 67.994 57.622 21.418 1.00 0.06 H HETATM 2014 H22 NJG A 206 68.386 56.836 18.952 1.00 0.06 H HETATM 2015 H9 NJG A 206 68.368 57.679 16.397 1.00 0.04 H HETATM 2016 H10 NJG A 206 69.035 59.297 15.990 1.00 0.04 H HETATM 2017 N16 NJG A 206 71.468 58.844 17.036 1.00 -0.26 N HETATM 2018 C17 NJG A 206 72.460 58.564 18.102 1.00 0.32 C HETATM 2019 O18 NJG A 206 72.472 57.533 18.685 1.00 -0.38 O HETATM 2020 O19 NJG A 206 73.380 59.617 18.381 1.00 -0.26 O HETATM 2021 C20 NJG A 206 74.152 59.564 19.593 1.00 0.12 C HETATM 2022 C21 NJG A 206 75.631 60.162 19.205 1.00 0.08 C HETATM 2023 O22 NJG A 206 75.412 61.484 19.073 1.00 -0.35 O HETATM 2024 C24 NJG A 206 74.310 61.813 20.123 1.00 0.16 C HETATM 2025 C23 NJG A 206 73.703 60.402 20.527 1.00 0.04 C HETATM 2026 C25 NJG A 206 72.216 60.618 20.531 1.00 -0.02 C HETATM 2027 C26 NJG A 206 71.989 61.643 19.745 1.00 0.05 C HETATM 2028 O27 NJG A 206 73.387 62.487 19.611 1.00 -0.35 O HETATM 2029 H7 NJG A 206 71.206 62.282 20.179 1.00 0.06 H HETATM 2030 H8 NJG A 206 71.667 61.291 18.754 1.00 0.06 H HETATM 2031 H20 NJG A 206 71.701 59.724 20.149 1.00 0.03 H HETATM 2032 H21 NJG A 206 71.866 60.836 21.551 1.00 0.03 H HETATM 2033 H19 NJG A 206 74.039 60.073 21.521 1.00 0.04 H HETATM 2034 H6 NJG A 206 74.735 62.338 20.991 1.00 0.09 H HETATM 2035 H4 NJG A 206 75.995 59.728 18.262 1.00 0.06 H HETATM 2036 H5 NJG A 206 76.358 59.962 20.006 1.00 0.06 H HETATM 2037 H3 NJG A 206 74.202 58.535 19.977 1.00 0.07 H HETATM 2038 H39 NJG A 206 71.445 59.753 16.619 1.00 0.19 H HETATM 2039 H2 NJG A 206 70.587 56.931 17.208 1.00 0.06 H HETATM 2040 C12 NJG A 206 70.047 56.291 14.653 1.00 0.06 C HETATM 2041 N10 NJG A 206 70.403 55.095 15.497 1.00 -0.23 N HETATM 2042 C11 NJG A 206 71.284 54.059 14.875 1.00 0.03 C HETATM 2043 C37 NJG A 206 72.777 54.454 14.953 1.00 -0.03 C HETATM 2044 C38 NJG A 206 73.616 53.391 14.215 1.00 -0.05 C HETATM 2045 C36 NJG A 206 73.316 51.984 14.769 1.00 -0.07 C HETATM 2046 H29 NJG A 206 73.923 51.241 14.231 1.00 0.02 H HETATM 2047 H30 NJG A 206 72.249 51.755 14.631 1.00 0.02 H HETATM 2048 H31 NJG A 206 73.562 51.952 15.841 1.00 0.02 H HETATM 2049 H33 NJG A 206 73.371 53.417 13.143 1.00 0.03 H HETATM 2050 H34 NJG A 206 74.684 53.614 14.353 1.00 0.03 H HETATM 2051 C39 NJG A 206 73.213 54.546 16.393 1.00 -0.06 C HETATM 2052 H35 NJG A 206 72.610 55.306 16.911 1.00 0.02 H HETATM 2053 H36 NJG A 206 74.275 54.829 16.437 1.00 0.02 H HETATM 2054 H37 NJG A 206 73.072 53.571 16.882 1.00 0.02 H HETATM 2055 H32 NJG A 206 72.921 55.432 14.470 1.00 0.03 H HETATM 2056 H15 NJG A 206 71.140 53.105 15.403 1.00 0.05 H HETATM 2057 H16 NJG A 206 71.002 53.939 13.819 1.00 0.05 H HETATM 2058 S07 NJG A 206 69.133 54.454 16.494 1.00 0.07 S HETATM 2059 C04 NJG A 206 68.352 53.212 15.386 1.00 0.10 C HETATM 2060 C03 NJG A 206 67.304 53.664 14.385 1.00 -0.04 C HETATM 2061 C02 NJG A 206 66.680 52.625 13.449 1.00 -0.06 C HETATM 2062 C01 NJG A 206 67.134 51.166 13.546 1.00 -0.01 C HETATM 2063 C06 NJG A 206 68.201 50.726 14.537 1.00 -0.06 C HETATM 2064 C05 NJG A 206 68.824 51.758 15.471 1.00 -0.04 C HETATM 2065 H13 NJG A 206 69.588 51.467 16.183 1.00 0.06 H HETATM 2066 H14 NJG A 206 68.515 49.689 14.579 1.00 0.06 H HETATM 2067 C40 NJG A 206 66.537 50.143 12.610 1.00 0.11 C HETATM 2068 C35 NJG A 206 67.718 49.592 11.794 1.00 0.08 C HETATM 2069 O42 NJG A 206 68.503 50.681 11.338 1.00 -0.39 O HETATM 2070 H42 NJG A 206 68.827 51.171 12.085 1.00 0.21 H HETATM 2071 H27 NJG A 206 67.339 49.023 10.932 1.00 0.06 H HETATM 2072 H28 NJG A 206 68.331 48.934 12.428 1.00 0.06 H HETATM 2073 O41 NJG A 206 65.628 50.788 11.770 1.00 -0.38 O HETATM 2074 H41 NJG A 206 65.300 50.171 11.126 1.00 0.21 H HETATM 2075 H38 NJG A 206 66.036 49.338 13.167 1.00 0.08 H HETATM 2076 H11 NJG A 206 65.927 52.919 12.727 1.00 0.06 H HETATM 2077 H12 NJG A 206 67.003 54.704 14.334 1.00 0.06 H HETATM 2078 O08 NJG A 206 68.189 55.478 16.955 1.00 -0.15 O HETATM 2079 O09 NJG A 206 69.661 53.842 17.729 1.00 -0.15 O HETATM 2080 H17 NJG A 206 70.268 56.082 13.596 1.00 0.05 H HETATM 2081 H18 NJG A 206 68.978 56.522 14.765 1.00 0.05 H HETATM 2082 O14 NJG A 206 70.680 58.591 14.314 1.00 -0.39 O HETATM 2083 H40 NJG A 206 70.927 58.371 13.423 1.00 0.21 H HETATM 2084 H1 NJG A 206 71.962 57.214 15.101 1.00 0.06 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 895 896 901 902 903 CONECT 902 895 CONECT 903 895 CONECT 2001 2002 2040 2082 2084 CONECT 2002 2001 2003 2017 2039 CONECT 2003 2002 2004 2015 2016 CONECT 2004 2003 2005 2009 CONECT 2005 2004 2006 2014 CONECT 2006 2005 2007 2013 CONECT 2007 2006 2008 2012 CONECT 2008 2007 2009 2011 CONECT 2009 2004 2008 2010 CONECT 2010 2009 CONECT 2011 2008 CONECT 2012 2007 CONECT 2013 2006 CONECT 2014 2005 CONECT 2015 2003 CONECT 2016 2003 CONECT 2017 2002 2018 2038 CONECT 2018 2017 2019 2020 CONECT 2019 2018 CONECT 2020 2018 2021 CONECT 2021 2020 2022 2025 2037 CONECT 2022 2021 2023 2035 2036 CONECT 2023 2022 2024 CONECT 2024 2023 2025 2028 2034 CONECT 2025 2021 2024 2026 2033 CONECT 2026 2025 2027 2031 2032 CONECT 2027 2026 2028 2029 2030 CONECT 2028 2024 2027 CONECT 2029 2027 CONECT 2030 2027 CONECT 2031 2026 CONECT 2032 2026 CONECT 2033 2025 CONECT 2034 2024 CONECT 2035 2022 CONECT 2036 2022 CONECT 2037 2021 CONECT 2038 2017 CONECT 2039 2002 CONECT 2040 2001 2041 2080 2081 CONECT 2041 2040 2042 2058 CONECT 2042 2041 2043 2056 2057 CONECT 2043 2042 2044 2051 2055 CONECT 2044 2043 2045 2049 2050 CONECT 2045 2044 2046 2047 2048 CONECT 2046 2045 CONECT 2047 2045 CONECT 2048 2045 CONECT 2049 2044 CONECT 2050 2044 CONECT 2051 2043 2052 2053 2054 CONECT 2052 2051 CONECT 2053 2051 CONECT 2054 2051 CONECT 2055 2043 CONECT 2056 2042 CONECT 2057 2042 CONECT 2058 2041 2059 2078 2079 CONECT 2059 2058 2060 2064 CONECT 2060 2059 2061 2077 CONECT 2061 2060 2062 2076 CONECT 2062 2061 2063 2067 CONECT 2063 2062 2064 2066 CONECT 2064 2059 2063 2065 CONECT 2065 2064 CONECT 2066 2063 CONECT 2067 2062 2068 2073 2075 CONECT 2068 2067 2069 2071 2072 CONECT 2069 2068 2070 CONECT 2070 2069 CONECT 2071 2068 CONECT 2072 2068 CONECT 2073 2067 2074 CONECT 2074 2073 CONECT 2075 2067 CONECT 2076 2061 CONECT 2077 2060 CONECT 2078 2058 CONECT 2079 2058 CONECT 2080 2040 CONECT 2081 2040 CONECT 2082 2001 2083 CONECT 2083 2082 CONECT 2084 2001 MASTER 0 0 0 0 0 0 0 0 2082 2 90 16 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 6oxz
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1eby
RCSB PDB
PDBbind
99aa, >1EBY_1|Chains... at 90%
1hxw
RCSB PDB
PDBbind
99aa, >1HXW_1|Chains... at 90%
1izh
RCSB PDB
PDBbind
99aa, >1IZH_1|Chains... at 90%
1k6c
RCSB PDB
PDBbind
99aa, >1K6C_1|Chains... at 91%
1k6p
RCSB PDB
PDBbind
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
PDBbind
99aa, >3EL5_1|Chains... at 91%
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
RCSB PDB
PDBbind
203aa, >4EQJ_1|Chain... *
4ll3
RCSB PDB
PDBbind
99aa, >4LL3_1|Chains... at 90%
4phv
RCSB PDB
PDBbind
99aa, >4PHV_1|Chains... at 90%
5hvp
RCSB PDB
PDBbind
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
PDBbind
99aa, >6DGY_1|Chains... at 91%
6dgz
RCSB PDB
PDBbind
99aa, >6DGZ_1|Chains... at 91%
6dh0
RCSB PDB
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%
6dh5
RCSB PDB
PDBbind
99aa, >6DH5_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
PDBbind
99aa, >6DH8_1|Chains... at 90%
9hvp
RCSB PDB
PDBbind
99aa, >9HVP_1|Chains... at 90%
6oy2
RCSB PDB
PDBbind
99aa, >6OY2_1|Chains... at 91%
6oy0
RCSB PDB
PDBbind
99aa, >6OY0_1|Chains... at 91%
6oxy
RCSB PDB
PDBbind
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
99aa, >6OY1_1|Chains... at 91%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6oxz
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
HIV-1 Protease NL4-3 WT
Ligand Name
NJG
EC.Number
E.C.-.-.-.-
Resolution
1.96(Å)
Affinity (Kd/Ki/IC50)
Ki=0.216nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Med.Chem. Vol. 62: pp. 8062-8079
Ligand Properties
Formula
C
3
0
H
4
2
N
2
O
9
S
Molecular Weight
606.727
Exact Mass
606.261
No. of atoms
84
No. of bonds
87
Polar Surface Area
163.24
LOGP Value
2.44 (
Computed with XLOGP3
)
3.68 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 19
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 4
Canonical SMILES
CC[C@@H](CN(S(=O)(=O)c1ccc(cc1)[C@H](CO)O)C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2[C@H]1CCO2)O)C
InChI String
InChI=1S/C30H42N2O9S/c1-3-20(2)16-32(42(37,38)23-11-9-22(10-12-23)27(35)18-33)17-26(34)25(15-21-7-5-4-6-8-21)31-30(36)41-28-19-40-29-24(28)13-14-39-29/h4-12,20,24-29,33-35H,3,13-19H2,1-2H3,(H,31,36)/t20-,24-,25-,26+,27-,28-,29+/m0/s1
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UniProt accession number (AC):
P12497
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
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