Browse entries in the PDBbind-CN Database
HEADER 6OY0_COMPLEX COMPND 6OY0_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 NJ A 7 96 ATOM 1 N PRO A 1 79.999 65.651 -3.225 1.00 25.54 N ATOM 2 CA PRO A 1 79.030 64.910 -4.036 1.00 24.92 C ATOM 3 C PRO A 1 77.602 65.052 -3.521 1.00 27.80 C ATOM 4 O PRO A 1 77.393 65.587 -2.430 1.00 25.91 O ATOM 5 CB PRO A 1 79.509 63.463 -3.910 1.00 41.82 C ATOM 6 CG PRO A 1 80.146 63.405 -2.569 1.00 39.03 C ATOM 7 CD PRO A 1 80.782 64.757 -2.353 1.00 33.54 C ATOM 8 HN2 PRO A 1 79.488 66.336 -2.633 1.00 0.00 H ATOM 9 HN1 PRO A 1 80.650 66.159 -3.858 1.00 0.00 H ATOM 10 N GLN A 2 76.638 64.596 -4.316 1.00 24.68 N ATOM 11 CA GLN A 2 75.258 64.442 -3.875 1.00 29.06 C ATOM 12 C GLN A 2 75.008 62.968 -3.592 1.00 20.48 C ATOM 13 O GLN A 2 75.253 62.117 -4.453 1.00 25.60 O ATOM 14 CB GLN A 2 74.270 64.955 -4.924 1.00 32.47 C ATOM 15 CG GLN A 2 72.810 64.749 -4.535 1.00 26.65 C ATOM 16 CD GLN A 2 71.851 65.564 -5.383 1.00 29.40 C ATOM 17 OE1 GLN A 2 71.317 66.574 -4.931 1.00 25.48 O ATOM 18 NE2 GLN A 2 71.624 65.127 -6.616 1.00 34.03 N ATOM 19 HE22 GLN A 2 72.098 64.267 -6.958 1.00 0.00 H ATOM 20 HE21 GLN A 2 70.972 65.645 -7.240 1.00 0.00 H ATOM 21 H GLN A 2 76.880 64.338 -5.294 1.00 0.00 H ATOM 22 N ILE A 3 74.537 62.672 -2.385 1.00 21.24 N ATOM 23 CA ILE A 3 74.375 61.303 -1.910 1.00 24.19 C ATOM 24 C ILE A 3 72.886 61.046 -1.730 1.00 21.86 C ATOM 25 O ILE A 3 72.241 61.662 -0.872 1.00 18.86 O ATOM 26 CB ILE A 3 75.138 61.066 -0.599 1.00 24.27 C ATOM 27 CG1 ILE A 3 76.640 61.271 -0.814 1.00 26.16 C ATOM 28 CG2 ILE A 3 74.854 59.663 -0.057 1.00 22.69 C ATOM 29 CD1 ILE A 3 77.471 61.209 0.464 1.00 26.88 C ATOM 30 H ILE A 3 74.272 63.452 -1.750 1.00 0.00 H ATOM 31 N THR A 4 72.338 60.140 -2.535 1.00 17.52 N ATOM 32 CA THR A 4 70.982 59.671 -2.318 1.00 23.67 C ATOM 33 C THR A 4 70.969 58.668 -1.167 1.00 18.24 C ATOM 34 O THR A 4 72.014 58.188 -0.717 1.00 25.23 O ATOM 35 CB THR A 4 70.412 59.035 -3.590 1.00 18.90 C ATOM 36 OG1 THR A 4 71.271 57.977 -4.024 1.00 18.74 O ATOM 37 CG2 THR A 4 70.283 60.076 -4.706 1.00 29.27 C ATOM 38 HG1 THR A 4 70.900 57.568 -4.846 1.00 0.00 H ATOM 39 H THR A 4 72.889 59.762 -3.332 1.00 0.00 H ATOM 40 N LEU A 5 69.766 58.353 -0.688 1.00 20.02 N ATOM 41 CA LEU A 5 69.612 57.618 0.562 1.00 16.78 C ATOM 42 C LEU A 5 68.912 56.275 0.378 1.00 24.68 C ATOM 43 O LEU A 5 68.386 55.717 1.346 1.00 16.41 O ATOM 44 CB LEU A 5 68.869 58.485 1.581 1.00 16.68 C ATOM 45 CG LEU A 5 69.661 59.727 2.010 1.00 13.97 C ATOM 46 CD1 LEU A 5 68.791 60.683 2.822 1.00 13.33 C ATOM 47 CD2 LEU A 5 70.895 59.328 2.818 1.00 18.12 C ATOM 48 H LEU A 5 68.918 58.638 -1.218 1.00 0.00 H ATOM 49 N TRP A 6 68.912 55.741 -0.846 1.00 23.02 N ATOM 50 CA TRP A 6 68.384 54.401 -1.078 1.00 21.14 C ATOM 51 C TRP A 6 69.252 53.343 -0.411 1.00 22.27 C ATOM 52 O TRP A 6 68.763 52.257 -0.078 1.00 21.33 O ATOM 53 CB TRP A 6 68.280 54.139 -2.581 1.00 26.61 C ATOM 54 CG TRP A 6 67.481 55.186 -3.288 1.00 21.68 C ATOM 55 CD1 TRP A 6 67.963 56.250 -3.993 1.00 22.75 C ATOM 56 CD2 TRP A 6 66.055 55.283 -3.339 1.00 21.96 C ATOM 57 NE1 TRP A 6 66.922 57.000 -4.486 1.00 27.98 N ATOM 58 CE2 TRP A 6 65.740 56.426 -4.098 1.00 22.57 C ATOM 59 CE3 TRP A 6 65.013 54.510 -2.818 1.00 27.88 C ATOM 60 CZ2 TRP A 6 64.427 56.814 -4.350 1.00 27.98 C ATOM 61 CZ3 TRP A 6 63.711 54.897 -3.070 1.00 27.56 C ATOM 62 CH2 TRP A 6 63.429 56.037 -3.829 1.00 27.20 C ATOM 63 HE1 TRP A 6 67.016 57.862 -5.060 1.00 0.00 H ATOM 64 H TRP A 6 69.293 56.288 -1.644 1.00 0.00 H ATOM 65 N LYS A 7 70.528 53.646 -0.202 1.00 18.87 N ATOM 66 CA LYS A 7 71.452 52.780 0.513 1.00 19.63 C ATOM 67 C LYS A 7 72.048 53.564 1.676 1.00 15.41 C ATOM 68 O LYS A 7 71.970 54.794 1.726 1.00 18.25 O ATOM 69 CB LYS A 7 72.561 52.263 -0.413 1.00 29.14 C ATOM 70 H LYS A 7 70.886 54.551 -0.569 1.00 0.00 H ATOM 71 N ARG A 8 72.645 52.843 2.619 1.00 17.40 N ATOM 72 CA ARG A 8 73.291 53.493 3.752 1.00 20.43 C ATOM 73 C ARG A 8 74.368 54.455 3.253 1.00 21.23 C ATOM 74 O ARG A 8 75.201 54.066 2.419 1.00 14.36 O ATOM 75 CB ARG A 8 73.917 52.458 4.687 1.00 20.41 C ATOM 76 CG ARG A 8 72.921 51.572 5.419 1.00 26.84 C ATOM 77 CD ARG A 8 73.624 50.697 6.454 1.00 32.58 C ATOM 78 NE ARG A 8 72.674 49.951 7.279 1.00 34.12 N ATOM 79 CZ ARG A 8 72.682 48.632 7.469 1.00 41.54 C ATOM 80 NH1 ARG A 8 73.603 47.858 6.907 1.00 35.58 N ATOM 81 NH2 ARG A 8 71.758 48.078 8.241 1.00 34.55 N ATOM 82 HE ARG A 8 71.929 50.496 7.758 1.00 0.00 H ATOM 83 HH12 ARG A 8 73.589 46.831 7.070 1.00 0.00 H ATOM 84 HH11 ARG A 8 74.338 48.279 6.304 1.00 0.00 H ATOM 85 HH22 ARG A 8 71.757 47.049 8.395 1.00 0.00 H ATOM 86 HH21 ARG A 8 71.034 48.672 8.693 1.00 0.00 H ATOM 87 H ARG A 8 72.651 51.805 2.548 1.00 0.00 H ATOM 88 N PRO A 9 74.395 55.709 3.732 1.00 17.78 N ATOM 89 CA PRO A 9 75.451 56.636 3.303 1.00 13.32 C ATOM 90 C PRO A 9 76.801 56.321 3.926 1.00 15.78 C ATOM 91 O PRO A 9 77.304 57.065 4.775 1.00 13.54 O ATOM 92 CB PRO A 9 74.919 58.001 3.760 1.00 15.65 C ATOM 93 CG PRO A 9 74.055 57.688 4.923 1.00 14.15 C ATOM 94 CD PRO A 9 73.413 56.370 4.611 1.00 15.22 C ATOM 95 N LEU A 10 77.397 55.213 3.500 1.00 14.12 N ATOM 96 CA LEU A 10 78.688 54.784 4.012 1.00 15.12 C ATOM 97 C LEU A 10 79.803 55.420 3.194 1.00 20.35 C ATOM 98 O LEU A 10 79.703 55.537 1.970 1.00 23.93 O ATOM 99 CB LEU A 10 78.804 53.259 3.965 1.00 20.89 C ATOM 100 CG LEU A 10 77.963 52.516 5.005 1.00 25.96 C ATOM 101 CD1 LEU A 10 77.878 51.034 4.681 1.00 35.83 C ATOM 102 CD2 LEU A 10 78.539 52.719 6.397 1.00 20.23 C ATOM 103 H LEU A 10 76.925 54.634 2.777 1.00 0.00 H ATOM 104 N VAL A 11 80.868 55.831 3.881 1.00 18.10 N ATOM 105 CA VAL A 11 82.006 56.473 3.240 1.00 22.11 C ATOM 106 C VAL A 11 83.281 55.996 3.913 1.00 18.93 C ATOM 107 O VAL A 11 83.272 55.490 5.037 1.00 18.76 O ATOM 108 CB VAL A 11 81.929 58.015 3.301 1.00 23.67 C ATOM 109 CG1 VAL A 11 80.675 58.514 2.599 1.00 27.55 C ATOM 110 CG2 VAL A 11 81.969 58.494 4.742 1.00 17.75 C ATOM 111 H VAL A 11 80.887 55.688 4.911 1.00 0.00 H ATOM 112 N THR A 12 84.390 56.175 3.207 1.00 20.50 N ATOM 113 CA THR A 12 85.701 55.869 3.751 1.00 23.52 C ATOM 114 C THR A 12 86.228 57.080 4.504 1.00 17.36 C ATOM 115 O THR A 12 86.097 58.219 4.044 1.00 24.55 O ATOM 116 CB THR A 12 86.671 55.475 2.633 1.00 27.73 C ATOM 117 OG1 THR A 12 86.151 54.344 1.928 1.00 20.43 O ATOM 118 CG2 THR A 12 88.039 55.121 3.197 1.00 24.54 C ATOM 119 HG1 THR A 12 86.778 54.090 1.206 1.00 0.00 H ATOM 120 H THR A 12 84.318 56.545 2.238 1.00 0.00 H ATOM 121 N ILE A 13 86.808 56.832 5.674 1.00 14.62 N ATOM 122 CA ILE A 13 87.411 57.885 6.475 1.00 20.90 C ATOM 123 C ILE A 13 88.859 57.513 6.750 1.00 21.52 C ATOM 124 O ILE A 13 89.229 56.334 6.748 1.00 16.93 O ATOM 125 CB ILE A 13 86.647 58.125 7.797 1.00 18.13 C ATOM 126 CG1 ILE A 13 86.686 56.878 8.685 1.00 17.25 C ATOM 127 CG2 ILE A 13 85.202 58.522 7.501 1.00 23.53 C ATOM 128 CD1 ILE A 13 86.276 57.128 10.111 1.00 19.49 C ATOM 129 H ILE A 13 86.831 55.854 6.028 1.00 0.00 H ATOM 130 N LYS A 14 89.681 58.534 6.982 1.00 23.44 N ATOM 131 CA LYS A 14 91.061 58.358 7.417 1.00 20.46 C ATOM 132 C LYS A 14 91.205 59.000 8.788 1.00 18.27 C ATOM 133 O LYS A 14 90.910 60.189 8.954 1.00 24.53 O ATOM 134 CB LYS A 14 92.045 58.979 6.423 1.00 20.38 C ATOM 135 H LYS A 14 89.322 59.501 6.847 1.00 0.00 H ATOM 136 N ILE A 15 91.630 58.211 9.768 1.00 17.22 N ATOM 137 CA ILE A 15 91.857 58.698 11.121 1.00 20.70 C ATOM 138 C ILE A 15 93.040 57.943 11.709 1.00 30.60 C ATOM 139 O ILE A 15 93.162 56.726 11.535 1.00 23.14 O ATOM 140 CB ILE A 15 90.599 58.542 12.001 1.00 22.80 C ATOM 141 CG1 ILE A 15 90.868 59.121 13.390 1.00 22.06 C ATOM 142 CG2 ILE A 15 90.169 57.076 12.073 1.00 27.79 C ATOM 143 CD1 ILE A 15 89.661 59.199 14.287 1.00 27.58 C ATOM 144 H ILE A 15 91.807 57.207 9.561 1.00 0.00 H ATOM 145 N GLY A 16 93.919 58.670 12.395 1.00 30.20 N ATOM 146 CA GLY A 16 95.118 58.066 12.942 1.00 28.39 C ATOM 147 C GLY A 16 95.977 57.366 11.915 1.00 27.73 C ATOM 148 O GLY A 16 96.766 56.487 12.274 1.00 29.97 O ATOM 149 H GLY A 16 93.743 59.685 12.540 1.00 0.00 H ATOM 150 N GLY A 17 95.847 57.733 10.640 1.00 23.56 N ATOM 151 CA GLY A 17 96.594 57.109 9.567 1.00 25.61 C ATOM 152 C GLY A 17 95.985 55.845 9.007 1.00 32.99 C ATOM 153 O GLY A 17 96.597 55.219 8.132 1.00 38.55 O ATOM 154 H GLY A 17 95.183 58.498 10.406 1.00 0.00 H ATOM 155 N GLN A 18 94.801 55.455 9.470 1.00 25.26 N ATOM 156 CA GLN A 18 94.162 54.208 9.081 1.00 31.74 C ATOM 157 C GLN A 18 92.868 54.510 8.342 1.00 26.75 C ATOM 158 O GLN A 18 92.150 55.455 8.689 1.00 24.96 O ATOM 159 CB GLN A 18 93.869 53.347 10.314 1.00 30.21 C ATOM 160 CG GLN A 18 93.794 51.854 10.054 1.00 44.60 C ATOM 161 CD GLN A 18 93.349 51.080 11.280 1.00 35.89 C ATOM 162 OE1 GLN A 18 92.587 51.587 12.106 1.00 32.79 O ATOM 163 NE2 GLN A 18 93.830 49.851 11.411 1.00 43.17 N ATOM 164 HE22 GLN A 18 94.470 49.464 10.689 1.00 0.00 H ATOM 165 HE21 GLN A 18 93.567 49.275 12.236 1.00 0.00 H ATOM 166 H GLN A 18 94.307 56.073 10.145 1.00 0.00 H ATOM 167 N LEU A 19 92.575 53.707 7.325 1.00 19.00 N ATOM 168 CA LEU A 19 91.319 53.811 6.599 1.00 24.38 C ATOM 169 C LEU A 19 90.243 52.977 7.284 1.00 33.11 C ATOM 170 O LEU A 19 90.508 51.878 7.777 1.00 27.89 O ATOM 171 CB LEU A 19 91.492 53.347 5.152 1.00 22.26 C ATOM 172 CG LEU A 19 92.465 54.124 4.262 1.00 28.70 C ATOM 173 CD1 LEU A 19 92.246 53.726 2.808 1.00 36.98 C ATOM 174 CD2 LEU A 19 92.316 55.631 4.435 1.00 34.72 C ATOM 175 H LEU A 19 93.264 52.982 7.039 1.00 0.00 H ATOM 176 N LYS A 20 89.026 53.515 7.314 1.00 29.18 N ATOM 177 CA LYS A 20 87.878 52.826 7.884 1.00 18.50 C ATOM 178 C LYS A 20 86.637 53.223 7.103 1.00 16.23 C ATOM 179 O LYS A 20 86.637 54.207 6.359 1.00 22.35 O ATOM 180 CB LYS A 20 87.681 53.169 9.366 1.00 23.86 C ATOM 181 CG LYS A 20 88.658 52.509 10.314 1.00 30.97 C ATOM 182 CD LYS A 20 88.587 53.158 11.684 1.00 30.47 C ATOM 183 CE LYS A 20 89.387 52.383 12.710 1.00 39.63 C ATOM 184 NZ LYS A 20 88.741 51.096 13.051 1.00 35.91 N ATOM 185 HZ1 LYS A 20 87.795 51.277 13.442 1.00 0.00 H ATOM 186 HZ2 LYS A 20 88.657 50.514 12.193 1.00 0.00 H ATOM 187 HZ3 LYS A 20 89.319 50.595 13.756 1.00 0.00 H ATOM 188 H LYS A 20 88.890 54.465 6.914 1.00 0.00 H ATOM 189 N GLU A 21 85.573 52.450 7.286 1.00 16.40 N ATOM 190 CA GLU A 21 84.263 52.799 6.762 1.00 19.40 C ATOM 191 C GLU A 21 83.411 53.377 7.883 1.00 15.13 C ATOM 192 O GLU A 21 83.441 52.883 9.015 1.00 14.19 O ATOM 193 CB GLU A 21 83.572 51.578 6.153 1.00 26.89 C ATOM 194 CG GLU A 21 82.270 51.903 5.451 1.00 28.93 C ATOM 195 CD GLU A 21 81.682 50.704 4.735 1.00 35.53 C ATOM 196 OE1 GLU A 21 81.880 50.591 3.507 1.00 31.81 O ATOM 197 OE2 GLU A 21 81.032 49.871 5.401 1.00 32.21 O ATOM 198 H GLU A 21 85.681 51.565 7.822 1.00 0.00 H ATOM 199 N ALA A 22 82.646 54.421 7.565 1.00 22.51 N ATOM 200 CA ALA A 22 81.813 55.087 8.555 1.00 22.30 C ATOM 201 C ALA A 22 80.504 55.529 7.918 1.00 13.90 C ATOM 202 O ALA A 22 80.407 55.722 6.703 1.00 12.93 O ATOM 203 CB ALA A 22 82.526 56.292 9.179 1.00 16.58 C ATOM 204 H ALA A 22 82.644 54.768 6.585 1.00 0.00 H ATOM 205 N LEU A 23 79.495 55.698 8.767 1.00 12.39 N ATOM 206 CA LEU A 23 78.154 56.072 8.339 1.00 12.25 C ATOM 207 C LEU A 23 77.926 57.558 8.584 1.00 11.28 C ATOM 208 O LEU A 23 78.133 58.045 9.701 1.00 14.61 O ATOM 209 CB LEU A 23 77.115 55.242 9.095 1.00 16.28 C ATOM 210 CG LEU A 23 75.639 55.445 8.754 1.00 20.41 C ATOM 211 CD1 LEU A 23 75.321 54.870 7.385 1.00 15.73 C ATOM 212 CD2 LEU A 23 74.769 54.799 9.822 1.00 19.20 C ATOM 213 H LEU A 23 79.671 55.557 9.782 1.00 0.00 H ATOM 214 N LEU A 24 77.509 58.276 7.539 1.00 13.97 N ATOM 215 CA LEU A 24 77.126 59.676 7.690 1.00 11.72 C ATOM 216 C LEU A 24 75.755 59.746 8.349 1.00 13.13 C ATOM 217 O LEU A 24 74.755 59.301 7.773 1.00 16.28 O ATOM 218 CB LEU A 24 77.113 60.382 6.337 1.00 16.12 C ATOM 219 CG LEU A 24 78.418 60.356 5.533 1.00 19.83 C ATOM 220 CD1 LEU A 24 78.255 61.130 4.227 1.00 15.95 C ATOM 221 CD2 LEU A 24 79.579 60.907 6.337 1.00 17.34 C ATOM 222 H LEU A 24 77.456 57.830 6.601 1.00 0.00 H ATOM 223 N ASP A 25 75.708 60.321 9.550 1.00 11.80 N ATOM 224 CA ASP A 25 74.583 60.161 10.473 1.00 12.62 C ATOM 225 C ASP A 25 74.100 61.530 10.951 1.00 11.34 C ATOM 226 O ASP A 25 74.577 62.050 11.963 1.00 10.91 O ATOM 227 CB ASP A 25 75.030 59.273 11.630 1.00 10.98 C ATOM 228 CG ASP A 25 73.899 58.883 12.553 1.00 14.20 C ATOM 229 OD1 ASP A 25 72.777 59.411 12.390 1.00 12.03 O ATOM 230 OD2 ASP A 25 74.147 58.044 13.445 1.00 14.27 O ATOM 231 H ASP A 25 76.510 60.913 9.846 1.00 0.00 H ATOM 232 N THR A 26 73.128 62.106 10.240 1.00 10.84 N ATOM 233 CA THR A 26 72.624 63.422 10.621 1.00 9.51 C ATOM 234 C THR A 26 71.869 63.394 11.946 1.00 11.41 C ATOM 235 O THR A 26 71.706 64.447 12.570 1.00 13.23 O ATOM 236 CB THR A 26 71.729 63.990 9.520 1.00 10.53 C ATOM 237 OG1 THR A 26 70.646 63.090 9.256 1.00 12.10 O ATOM 238 CG2 THR A 26 72.534 64.214 8.244 1.00 14.95 C ATOM 239 HG1 THR A 26 70.112 62.968 10.080 1.00 0.00 H ATOM 240 H THR A 26 72.729 61.617 9.414 1.00 0.00 H ATOM 241 N GLY A 27 71.412 62.225 12.395 1.00 13.56 N ATOM 242 CA GLY A 27 70.778 62.101 13.693 1.00 13.72 C ATOM 243 C GLY A 27 71.722 61.963 14.868 1.00 16.25 C ATOM 244 O GLY A 27 71.268 61.796 16.005 1.00 14.56 O ATOM 245 H GLY A 27 71.513 61.379 11.798 1.00 0.00 H ATOM 246 N ALA A 28 73.028 62.028 14.632 1.00 9.47 N ATOM 247 CA ALA A 28 74.028 61.952 15.688 1.00 12.38 C ATOM 248 C ALA A 28 74.619 63.339 15.917 1.00 12.34 C ATOM 249 O ALA A 28 75.135 63.958 14.978 1.00 12.09 O ATOM 250 CB ALA A 28 75.122 60.950 15.314 1.00 12.24 C ATOM 251 H ALA A 28 73.350 62.138 13.649 1.00 0.00 H ATOM 252 N ASP A 29 74.536 63.828 17.162 1.00 15.60 N ATOM 253 CA ASP A 29 75.229 65.066 17.519 1.00 13.63 C ATOM 254 C ASP A 29 76.732 64.905 17.360 1.00 17.21 C ATOM 255 O ASP A 29 77.426 65.823 16.908 1.00 13.81 O ATOM 256 CB ASP A 29 74.946 65.466 18.971 1.00 12.89 C ATOM 257 CG ASP A 29 73.492 65.797 19.241 1.00 18.46 C ATOM 258 OD1 ASP A 29 72.706 65.995 18.291 1.00 15.96 O ATOM 259 OD2 ASP A 29 73.141 65.861 20.438 1.00 13.60 O ATOM 260 H ASP A 29 73.976 63.324 17.879 1.00 0.00 H ATOM 261 N ASP A 30 77.251 63.752 17.763 1.00 15.29 N ATOM 262 CA ASP A 30 78.674 63.520 17.919 1.00 10.81 C ATOM 263 C ASP A 30 79.104 62.357 17.035 1.00 13.00 C ATOM 264 O ASP A 30 78.285 61.585 16.533 1.00 18.70 O ATOM 265 CB ASP A 30 79.017 63.229 19.387 1.00 16.09 C ATOM 266 CG ASP A 30 78.504 64.306 20.332 1.00 15.52 C ATOM 267 OD1 ASP A 30 78.781 65.498 20.089 1.00 23.21 O ATOM 268 OD2 ASP A 30 77.813 63.960 21.311 1.00 26.40 O ATOM 269 H ASP A 30 76.600 62.970 17.979 1.00 0.00 H ATOM 270 N THR A 31 80.414 62.251 16.855 1.00 14.77 N ATOM 271 CA THR A 31 81.031 61.186 16.081 1.00 8.32 C ATOM 272 C THR A 31 81.486 60.099 17.049 1.00 14.56 C ATOM 273 O THR A 31 82.213 60.383 18.006 1.00 13.07 O ATOM 274 CB THR A 31 82.206 61.741 15.271 1.00 12.22 C ATOM 275 OG1 THR A 31 81.713 62.654 14.282 1.00 17.35 O ATOM 276 CG2 THR A 31 82.996 60.636 14.587 1.00 13.96 C ATOM 277 HG1 THR A 31 81.238 63.399 14.729 1.00 0.00 H ATOM 278 H THR A 31 81.031 62.966 17.290 1.00 0.00 H ATOM 279 N VAL A 32 81.048 58.865 16.811 1.00 15.46 N ATOM 280 CA VAL A 32 81.386 57.740 17.676 1.00 13.59 C ATOM 281 C VAL A 32 81.936 56.625 16.800 1.00 14.25 C ATOM 282 O VAL A 32 81.272 56.192 15.850 1.00 12.78 O ATOM 283 CB VAL A 32 80.177 57.247 18.491 1.00 13.96 C ATOM 284 CG1 VAL A 32 80.636 56.287 19.582 1.00 14.58 C ATOM 285 CG2 VAL A 32 79.416 58.423 19.094 1.00 22.95 C ATOM 286 H VAL A 32 80.445 58.697 15.981 1.00 0.00 H ATOM 287 N LEU A 33 83.144 56.163 17.115 1.00 13.72 N ATOM 288 CA LEU A 33 83.800 55.101 16.371 1.00 10.96 C ATOM 289 C LEU A 33 83.984 53.877 17.258 1.00 16.94 C ATOM 290 O LEU A 33 84.105 53.986 18.481 1.00 15.21 O ATOM 291 CB LEU A 33 85.166 55.544 15.842 1.00 18.93 C ATOM 292 CG LEU A 33 85.205 56.782 14.949 1.00 16.90 C ATOM 293 CD1 LEU A 33 86.628 57.019 14.471 1.00 24.79 C ATOM 294 CD2 LEU A 33 84.258 56.642 13.771 1.00 19.79 C ATOM 295 H LEU A 33 83.640 56.580 17.929 1.00 0.00 H ATOM 296 N GLU A 34 83.997 52.708 16.623 1.00 18.56 N ATOM 297 CA GLU A 34 84.222 51.460 17.336 1.00 14.94 C ATOM 298 C GLU A 34 85.619 51.447 17.950 1.00 19.69 C ATOM 299 O GLU A 34 86.501 52.227 17.577 1.00 16.94 O ATOM 300 CB GLU A 34 84.045 50.272 16.389 1.00 18.07 C ATOM 301 CG GLU A 34 82.613 50.081 15.906 1.00 17.60 C ATOM 302 CD GLU A 34 82.450 48.864 15.013 1.00 21.15 C ATOM 303 OE1 GLU A 34 82.938 48.900 13.868 1.00 22.33 O ATOM 304 OE2 GLU A 34 81.838 47.871 15.461 1.00 32.27 O ATOM 305 H GLU A 34 83.843 52.686 15.595 1.00 0.00 H ATOM 306 N GLU A 35 85.812 50.542 18.908 1.00 17.87 N ATOM 307 CA GLU A 35 87.069 50.463 19.644 1.00 24.56 C ATOM 308 C GLU A 35 88.254 50.433 18.687 1.00 19.19 C ATOM 309 O GLU A 35 88.276 49.661 17.728 1.00 21.41 O ATOM 310 CB GLU A 35 87.072 49.216 20.532 1.00 31.41 C ATOM 311 CG GLU A 35 88.417 48.899 21.184 1.00 38.10 C ATOM 312 CD GLU A 35 88.896 49.998 22.110 1.00 41.42 C ATOM 313 OE1 GLU A 35 88.046 50.758 22.620 1.00 51.57 O ATOM 314 OE2 GLU A 35 90.123 50.100 22.328 1.00 48.91 O ATOM 315 H GLU A 35 85.048 49.875 19.137 1.00 0.00 H ATOM 316 N MET A 36 89.243 51.280 18.961 1.00 22.53 N ATOM 317 CA MET A 36 90.426 51.385 18.119 1.00 29.84 C ATOM 318 C MET A 36 91.536 52.040 18.926 1.00 29.49 C ATOM 319 O MET A 36 91.294 52.655 19.967 1.00 24.31 O ATOM 320 CB MET A 36 90.145 52.193 16.848 1.00 29.41 C ATOM 321 CG MET A 36 89.859 53.671 17.107 1.00 24.94 C ATOM 322 SD MET A 36 89.718 54.646 15.599 1.00 26.81 S ATOM 323 CE MET A 36 91.383 54.523 14.947 1.00 33.31 C ATOM 324 H MET A 36 89.169 51.886 19.803 1.00 0.00 H ATOM 325 N ASN A 37 92.759 51.920 18.416 1.00 32.61 N ATOM 326 CA ASN A 37 93.915 52.573 19.015 1.00 31.59 C ATOM 327 C ASN A 37 94.114 53.933 18.353 1.00 34.36 C ATOM 328 O ASN A 37 94.206 54.022 17.124 1.00 28.18 O ATOM 329 CB ASN A 37 95.165 51.706 18.861 1.00 31.37 C ATOM 330 CG ASN A 37 95.119 50.455 19.719 1.00 29.51 C ATOM 331 OD1 ASN A 37 95.240 49.338 19.215 1.00 45.61 O ATOM 332 ND2 ASN A 37 94.943 50.636 21.026 1.00 31.46 N ATOM 333 HD22 ASN A 37 94.845 51.598 21.409 1.00 0.00 H ATOM 334 HD21 ASN A 37 94.903 49.816 21.664 1.00 0.00 H ATOM 335 H ASN A 37 92.894 51.341 17.562 1.00 0.00 H ATOM 336 N LEU A 38 94.156 54.988 19.166 1.00 29.85 N ATOM 337 CA LEU A 38 94.363 56.342 18.678 1.00 33.59 C ATOM 338 C LEU A 38 95.465 57.024 19.475 1.00 32.21 C ATOM 339 O LEU A 38 95.493 56.918 20.706 1.00 33.24 O ATOM 340 CB LEU A 38 93.077 57.174 18.787 1.00 35.61 C ATOM 341 CG LEU A 38 92.222 57.371 17.534 1.00 41.41 C ATOM 342 CD1 LEU A 38 90.996 58.225 17.853 1.00 33.78 C ATOM 343 CD2 LEU A 38 93.018 58.008 16.403 1.00 33.82 C ATOM 344 H LEU A 38 94.036 54.837 20.188 1.00 0.00 H ATOM 345 N PRO A 39 96.379 57.735 18.815 1.00 38.27 N ATOM 346 CA PRO A 39 97.410 58.462 19.563 1.00 38.76 C ATOM 347 C PRO A 39 96.872 59.763 20.138 1.00 39.37 C ATOM 348 O PRO A 39 96.044 60.444 19.529 1.00 47.91 O ATOM 349 CB PRO A 39 98.494 58.720 18.509 1.00 44.74 C ATOM 350 CG PRO A 39 97.757 58.768 17.222 1.00 38.82 C ATOM 351 CD PRO A 39 96.581 57.838 17.358 1.00 31.36 C ATOM 352 N GLY A 40 97.350 60.101 21.330 1.00 47.90 N ATOM 353 CA GLY A 40 96.965 61.318 22.010 1.00 59.17 C ATOM 354 C GLY A 40 96.317 61.038 23.356 1.00 50.83 C ATOM 355 O GLY A 40 96.076 59.896 23.744 1.00 42.70 O ATOM 356 H GLY A 40 98.029 59.464 21.794 1.00 0.00 H ATOM 357 N ARG A 41 96.039 62.128 24.065 1.00 43.85 N ATOM 358 CA ARG A 41 95.344 62.036 25.337 1.00 46.43 C ATOM 359 C ARG A 41 93.842 61.892 25.109 1.00 26.97 C ATOM 360 O ARG A 41 93.314 62.220 24.043 1.00 38.60 O ATOM 361 CB ARG A 41 95.629 63.267 26.197 1.00 40.49 C ATOM 362 H ARG A 41 96.324 63.061 23.703 1.00 0.00 H ATOM 363 N TRP A 42 93.153 61.390 26.131 1.00 25.87 N ATOM 364 CA TRP A 42 91.711 61.215 26.059 1.00 29.40 C ATOM 365 C TRP A 42 91.129 61.366 27.453 1.00 34.73 C ATOM 366 O TRP A 42 91.848 61.336 28.456 1.00 33.27 O ATOM 367 CB TRP A 42 91.331 59.853 25.459 1.00 33.95 C ATOM 368 CG TRP A 42 91.887 58.672 26.201 1.00 31.24 C ATOM 369 CD1 TRP A 42 93.072 58.041 25.964 1.00 35.57 C ATOM 370 CD2 TRP A 42 91.275 57.977 27.295 1.00 28.72 C ATOM 371 NE1 TRP A 42 93.238 56.998 26.842 1.00 29.80 N ATOM 372 CE2 TRP A 42 92.149 56.937 27.670 1.00 36.00 C ATOM 373 CE3 TRP A 42 90.074 58.134 27.995 1.00 27.36 C ATOM 374 CZ2 TRP A 42 91.862 56.059 28.713 1.00 39.42 C ATOM 375 CZ3 TRP A 42 89.791 57.260 29.031 1.00 29.53 C ATOM 376 CH2 TRP A 42 90.681 56.237 29.379 1.00 39.34 C ATOM 377 HE1 TRP A 42 94.058 56.358 26.873 1.00 0.00 H ATOM 378 H TRP A 42 93.656 61.117 26.999 1.00 0.00 H ATOM 379 N LYS A 43 89.812 61.541 27.502 1.00 27.22 N ATOM 380 CA LYS A 43 89.097 61.722 28.751 1.00 23.16 C ATOM 381 C LYS A 43 87.884 60.803 28.765 1.00 23.64 C ATOM 382 O LYS A 43 87.229 60.635 27.730 1.00 18.91 O ATOM 383 CB LYS A 43 88.651 63.181 28.920 1.00 31.22 C ATOM 384 H LYS A 43 89.274 61.548 26.612 1.00 0.00 H ATOM 385 N PRO A 44 87.567 60.184 29.902 1.00 28.65 N ATOM 386 CA PRO A 44 86.365 59.342 29.959 1.00 22.72 C ATOM 387 C PRO A 44 85.099 60.180 29.880 1.00 37.53 C ATOM 388 O PRO A 44 84.992 61.236 30.509 1.00 28.22 O ATOM 389 CB PRO A 44 86.485 58.630 31.313 1.00 33.92 C ATOM 390 CG PRO A 44 87.403 59.473 32.118 1.00 33.93 C ATOM 391 CD PRO A 44 88.330 60.149 31.163 1.00 28.51 C ATOM 392 N LYS A 45 84.133 59.692 29.103 1.00 17.96 N ATOM 393 CA LYS A 45 82.881 60.403 28.895 1.00 20.47 C ATOM 394 C LYS A 45 81.748 59.397 28.764 1.00 20.55 C ATOM 395 O LYS A 45 81.973 58.201 28.560 1.00 24.54 O ATOM 396 CB LYS A 45 82.942 61.296 27.649 1.00 22.09 C ATOM 397 H LYS A 45 84.278 58.776 28.632 1.00 0.00 H ATOM 398 N MET A 46 80.523 59.904 28.887 1.00 18.11 N ATOM 399 CA MET A 46 79.308 59.128 28.693 1.00 24.00 C ATOM 400 C MET A 46 78.536 59.700 27.514 1.00 24.70 C ATOM 401 O MET A 46 78.533 60.914 27.293 1.00 22.17 O ATOM 402 CB MET A 46 78.415 59.162 29.940 1.00 25.04 C ATOM 403 CG MET A 46 79.083 58.678 31.216 1.00 33.05 C ATOM 404 SD MET A 46 79.488 56.925 31.185 1.00 35.18 S ATOM 405 CE MET A 46 77.864 56.189 31.043 1.00 23.88 C ATOM 406 H MET A 46 80.430 60.910 29.135 1.00 0.00 H ATOM 407 N ILE A 47 77.877 58.824 26.757 1.00 24.05 N ATOM 408 CA ILE A 47 76.985 59.247 25.680 1.00 19.15 C ATOM 409 C ILE A 47 75.767 58.338 25.655 1.00 20.01 C ATOM 410 O ILE A 47 75.878 57.124 25.855 1.00 19.85 O ATOM 411 CB ILE A 47 77.684 59.236 24.306 1.00 28.09 C ATOM 412 CG1 ILE A 47 78.295 57.859 24.020 1.00 23.69 C ATOM 413 CG2 ILE A 47 78.728 60.322 24.247 1.00 42.68 C ATOM 414 CD1 ILE A 47 78.775 57.691 22.609 1.00 37.03 C ATOM 415 H ILE A 47 78.001 57.808 26.938 1.00 0.00 H ATOM 416 N GLY A 48 74.607 58.930 25.395 1.00 15.41 N ATOM 417 CA GLY A 48 73.348 58.205 25.329 1.00 17.21 C ATOM 418 C GLY A 48 72.870 58.070 23.894 1.00 26.42 C ATOM 419 O GLY A 48 73.010 59.000 23.091 1.00 20.00 O ATOM 420 H GLY A 48 74.599 59.957 25.231 1.00 0.00 H ATOM 421 N GLY A 49 72.316 56.902 23.581 1.00 15.52 N ATOM 422 CA GLY A 49 71.677 56.666 22.303 1.00 19.38 C ATOM 423 C GLY A 49 70.264 56.151 22.476 1.00 23.39 C ATOM 424 O GLY A 49 69.638 56.362 23.520 1.00 18.12 O ATOM 425 H GLY A 49 72.343 56.131 24.279 1.00 0.00 H ATOM 426 N ILE A 50 69.755 55.449 21.462 1.00 17.97 N ATOM 427 CA ILE A 50 68.384 54.962 21.523 1.00 15.25 C ATOM 428 C ILE A 50 68.203 53.906 22.605 1.00 18.50 C ATOM 429 O ILE A 50 67.086 53.722 23.100 1.00 19.59 O ATOM 430 CB ILE A 50 67.944 54.418 20.148 1.00 22.32 C ATOM 431 CG1 ILE A 50 66.415 54.340 20.081 1.00 21.60 C ATOM 432 CG2 ILE A 50 68.574 53.052 19.861 1.00 26.13 C ATOM 433 CD1 ILE A 50 65.866 54.072 18.692 1.00 28.70 C ATOM 434 H ILE A 50 70.339 55.249 20.625 1.00 0.00 H ATOM 435 N GLY A 51 69.270 53.211 22.993 1.00 16.57 N ATOM 436 CA GLY A 51 69.149 52.103 23.921 1.00 19.74 C ATOM 437 C GLY A 51 69.671 52.373 25.318 1.00 25.64 C ATOM 438 O GLY A 51 69.548 51.516 26.199 1.00 21.45 O ATOM 439 H GLY A 51 70.208 53.467 22.624 1.00 0.00 H ATOM 440 N GLY A 52 70.250 53.544 25.539 1.00 18.04 N ATOM 441 CA GLY A 52 70.790 53.900 26.831 1.00 20.12 C ATOM 442 C GLY A 52 72.139 54.565 26.675 1.00 20.61 C ATOM 443 O GLY A 52 72.461 55.106 25.618 1.00 19.19 O ATOM 444 H GLY A 52 70.318 54.228 24.759 1.00 0.00 H ATOM 445 N PHE A 53 72.934 54.510 27.739 1.00 18.41 N ATOM 446 CA PHE A 53 74.211 55.205 27.797 1.00 19.36 C ATOM 447 C PHE A 53 75.372 54.220 27.798 1.00 20.59 C ATOM 448 O PHE A 53 75.268 53.104 28.316 1.00 18.75 O ATOM 449 CB PHE A 53 74.289 56.094 29.040 1.00 23.17 C ATOM 450 CG PHE A 53 73.436 57.323 28.951 1.00 21.11 C ATOM 451 CD1 PHE A 53 72.061 57.240 29.099 1.00 24.73 C ATOM 452 CD2 PHE A 53 74.006 58.560 28.712 1.00 24.14 C ATOM 453 CE1 PHE A 53 71.274 58.369 29.011 1.00 28.39 C ATOM 454 CE2 PHE A 53 73.220 59.693 28.627 1.00 29.19 C ATOM 455 CZ PHE A 53 71.855 59.596 28.777 1.00 28.60 C ATOM 456 H PHE A 53 72.632 53.949 28.561 1.00 0.00 H ATOM 457 N ILE A 54 76.488 54.654 27.208 1.00 17.34 N ATOM 458 CA ILE A 54 77.717 53.875 27.156 1.00 19.35 C ATOM 459 C ILE A 54 78.880 54.768 27.567 1.00 23.11 C ATOM 460 O ILE A 54 78.803 55.997 27.511 1.00 17.85 O ATOM 461 CB ILE A 54 77.980 53.274 25.756 1.00 22.06 C ATOM 462 CG1 ILE A 54 78.108 54.383 24.705 1.00 20.38 C ATOM 463 CG2 ILE A 54 76.869 52.300 25.383 1.00 24.17 C ATOM 464 CD1 ILE A 54 78.568 53.886 23.340 1.00 20.97 C ATOM 465 H ILE A 54 76.479 55.594 26.764 1.00 0.00 H ATOM 466 N LYS A 55 79.970 54.123 27.976 1.00 21.59 N ATOM 467 CA LYS A 55 81.217 54.805 28.289 1.00 24.31 C ATOM 468 C LYS A 55 82.062 54.892 27.027 1.00 22.43 C ATOM 469 O LYS A 55 82.198 53.906 26.296 1.00 23.25 O ATOM 470 CB LYS A 55 81.990 54.059 29.380 1.00 20.86 C ATOM 471 CG LYS A 55 81.248 53.915 30.697 1.00 34.26 C ATOM 472 CD LYS A 55 81.944 52.935 31.647 1.00 40.03 C ATOM 473 CE LYS A 55 83.198 53.527 32.281 1.00 55.04 C ATOM 474 NZ LYS A 55 84.418 53.390 31.438 1.00 48.67 N ATOM 475 HZ1 LYS A 55 84.606 52.382 31.263 1.00 0.00 H ATOM 476 HZ2 LYS A 55 84.269 53.879 30.532 1.00 0.00 H ATOM 477 HZ3 LYS A 55 85.229 53.814 31.932 1.00 0.00 H ATOM 478 H LYS A 55 79.929 53.089 28.076 1.00 0.00 H ATOM 479 N VAL A 56 82.639 56.066 26.778 1.00 15.50 N ATOM 480 CA VAL A 56 83.507 56.265 25.629 1.00 19.93 C ATOM 481 C VAL A 56 84.756 57.016 26.065 1.00 20.88 C ATOM 482 O VAL A 56 84.799 57.641 27.126 1.00 22.47 O ATOM 483 CB VAL A 56 82.800 57.026 24.488 1.00 26.05 C ATOM 484 CG1 VAL A 56 81.636 56.211 23.960 1.00 21.65 C ATOM 485 CG2 VAL A 56 82.328 58.402 24.965 1.00 18.79 C ATOM 486 H VAL A 56 82.464 56.863 27.423 1.00 0.00 H ATOM 487 N ARG A 57 85.783 56.933 25.225 1.00 18.81 N ATOM 488 CA ARG A 57 86.982 57.746 25.362 1.00 23.79 C ATOM 489 C ARG A 57 86.852 58.930 24.412 1.00 23.86 C ATOM 490 O ARG A 57 86.595 58.745 23.218 1.00 22.96 O ATOM 491 CB ARG A 57 88.239 56.932 25.050 1.00 28.17 C ATOM 492 CG ARG A 57 88.264 55.563 25.721 1.00 31.13 C ATOM 493 CD ARG A 57 89.651 54.931 25.698 1.00 33.25 C ATOM 494 NE ARG A 57 90.263 54.942 24.370 1.00 42.89 N ATOM 495 CZ ARG A 57 90.121 53.983 23.456 1.00 50.78 C ATOM 496 NH1 ARG A 57 89.376 52.914 23.701 1.00 43.27 N ATOM 497 NH2 ARG A 57 90.728 54.097 22.282 1.00 46.20 N ATOM 498 HE ARG A 57 90.854 55.760 24.120 1.00 0.00 H ATOM 499 HH12 ARG A 57 89.275 52.174 22.977 1.00 0.00 H ATOM 500 HH11 ARG A 57 88.893 52.816 24.617 1.00 0.00 H ATOM 501 HH22 ARG A 57 90.620 53.351 21.566 1.00 0.00 H ATOM 502 HH21 ARG A 57 91.312 54.933 22.078 1.00 0.00 H ATOM 503 H ARG A 57 85.727 56.258 24.436 1.00 0.00 H ATOM 504 N GLN A 58 87.001 60.138 24.945 1.00 25.86 N ATOM 505 CA GLN A 58 86.856 61.356 24.161 1.00 17.68 C ATOM 506 C GLN A 58 88.231 61.844 23.731 1.00 25.16 C ATOM 507 O GLN A 58 89.073 62.167 24.577 1.00 21.03 O ATOM 508 CB GLN A 58 86.132 62.444 24.951 1.00 16.39 C ATOM 509 CG GLN A 58 86.019 63.763 24.195 1.00 18.52 C ATOM 510 CD GLN A 58 85.135 64.771 24.903 1.00 24.44 C ATOM 511 OE1 GLN A 58 84.249 64.402 25.671 1.00 36.49 O ATOM 512 NE2 GLN A 58 85.372 66.054 24.646 1.00 30.68 N ATOM 513 HE22 GLN A 58 86.133 66.321 23.989 1.00 0.00 H ATOM 514 HE21 GLN A 58 84.797 66.791 25.102 1.00 0.00 H ATOM 515 H GLN A 58 87.229 60.216 25.957 1.00 0.00 H ATOM 516 N TYR A 59 88.446 61.899 22.421 1.00 18.41 N ATOM 517 CA TYR A 59 89.656 62.448 21.825 1.00 23.35 C ATOM 518 C TYR A 59 89.301 63.777 21.174 1.00 23.51 C ATOM 519 O TYR A 59 88.460 63.822 20.269 1.00 23.38 O ATOM 520 CB TYR A 59 90.247 61.493 20.789 1.00 21.94 C ATOM 521 CG TYR A 59 90.731 60.172 21.346 1.00 24.99 C ATOM 522 CD1 TYR A 59 89.851 59.118 21.557 1.00 23.08 C ATOM 523 CD2 TYR A 59 92.073 59.977 21.648 1.00 23.38 C ATOM 524 CE1 TYR A 59 90.292 57.911 22.060 1.00 25.88 C ATOM 525 CE2 TYR A 59 92.526 58.771 22.151 1.00 29.96 C ATOM 526 CZ TYR A 59 91.631 57.741 22.355 1.00 40.67 C ATOM 527 OH TYR A 59 92.076 56.538 22.856 1.00 27.59 O ATOM 528 HH TYR A 59 91.312 55.914 22.940 1.00 0.00 H ATOM 529 H TYR A 59 87.710 61.530 21.786 1.00 0.00 H ATOM 530 N ASP A 60 89.933 64.850 21.632 1.00 26.14 N ATOM 531 CA ASP A 60 89.660 66.184 21.121 1.00 25.03 C ATOM 532 C ASP A 60 90.663 66.557 20.038 1.00 22.80 C ATOM 533 O ASP A 60 91.805 66.090 20.032 1.00 23.60 O ATOM 534 CB ASP A 60 89.710 67.213 22.250 1.00 29.98 C ATOM 535 CG ASP A 60 88.570 67.052 23.231 1.00 38.69 C ATOM 536 OD1 ASP A 60 87.435 66.784 22.784 1.00 30.83 O ATOM 537 OD2 ASP A 60 88.811 67.185 24.449 1.00 38.96 O ATOM 538 H ASP A 60 90.646 64.733 22.380 1.00 0.00 H ATOM 539 N GLN A 61 90.211 67.399 19.110 1.00 24.82 N ATOM 540 CA GLN A 61 91.080 68.006 18.104 1.00 23.98 C ATOM 541 C GLN A 61 91.839 66.941 17.310 1.00 31.92 C ATOM 542 O GLN A 61 93.051 67.031 17.095 1.00 22.50 O ATOM 543 CB GLN A 61 92.038 69.004 18.763 1.00 27.42 C ATOM 544 CG GLN A 61 92.316 70.237 17.917 1.00 26.15 C ATOM 545 CD GLN A 61 93.032 71.338 18.683 1.00 28.45 C ATOM 546 OE1 GLN A 61 92.681 71.650 19.820 1.00 25.68 O ATOM 547 NE2 GLN A 61 94.042 71.933 18.058 1.00 21.13 N ATOM 548 HE22 GLN A 61 94.305 71.637 17.096 1.00 0.00 H ATOM 549 HE21 GLN A 61 94.570 72.695 18.530 1.00 0.00 H ATOM 550 H GLN A 61 89.198 67.634 19.101 1.00 0.00 H ATOM 551 N ILE A 62 91.103 65.925 16.859 1.00 22.06 N ATOM 552 CA ILE A 62 91.666 64.805 16.110 1.00 18.60 C ATOM 553 C ILE A 62 91.510 65.079 14.623 1.00 19.94 C ATOM 554 O ILE A 62 90.437 65.499 14.167 1.00 17.06 O ATOM 555 CB ILE A 62 90.986 63.477 16.493 1.00 14.68 C ATOM 556 CG1 ILE A 62 91.233 63.155 17.968 1.00 23.79 C ATOM 557 CG2 ILE A 62 91.490 62.333 15.611 1.00 23.59 C ATOM 558 CD1 ILE A 62 92.704 62.949 18.335 1.00 32.48 C ATOM 559 H ILE A 62 90.081 65.930 17.049 1.00 0.00 H ATOM 560 N LEU A 63 92.575 64.834 13.864 1.00 17.03 N ATOM 561 CA LEU A 63 92.493 64.915 12.411 1.00 16.74 C ATOM 562 C LEU A 63 91.711 63.725 11.878 1.00 27.11 C ATOM 563 O LEU A 63 91.953 62.582 12.276 1.00 26.01 O ATOM 564 CB LEU A 63 93.883 64.932 11.778 1.00 29.36 C ATOM 565 CG LEU A 63 94.884 66.046 12.139 1.00 33.65 C ATOM 566 CD1 LEU A 63 96.130 66.283 11.234 1.00 35.31 C ATOM 567 CD2 LEU A 63 94.509 67.186 13.117 1.00 31.57 C ATOM 568 H LEU A 63 93.478 64.581 14.314 1.00 0.00 H ATOM 569 N ILE A 64 90.780 63.995 10.971 1.00 19.04 N ATOM 570 CA ILE A 64 89.977 62.952 10.345 1.00 23.62 C ATOM 571 C ILE A 64 89.537 63.456 8.982 1.00 23.27 C ATOM 572 O ILE A 64 89.011 64.567 8.861 1.00 25.02 O ATOM 573 CB ILE A 64 88.760 62.562 11.208 1.00 21.30 C ATOM 574 CG1 ILE A 64 87.890 61.545 10.469 1.00 22.87 C ATOM 575 CG2 ILE A 64 87.944 63.801 11.583 1.00 28.90 C ATOM 576 CD1 ILE A 64 86.795 60.942 11.328 1.00 28.97 C ATOM 577 H ILE A 64 90.618 64.985 10.698 1.00 0.00 H ATOM 578 N GLU A 65 89.765 62.646 7.954 1.00 21.00 N ATOM 579 CA GLU A 65 89.382 62.977 6.588 1.00 22.59 C ATOM 580 C GLU A 65 88.192 62.110 6.201 1.00 26.31 C ATOM 581 O GLU A 65 88.247 60.883 6.329 1.00 21.85 O ATOM 582 CB GLU A 65 90.552 62.765 5.626 1.00 22.69 C ATOM 583 CG GLU A 65 90.225 63.085 4.174 1.00 29.40 C ATOM 584 CD GLU A 65 91.468 63.210 3.312 1.00 46.65 C ATOM 585 OE1 GLU A 65 92.514 62.639 3.688 1.00 37.40 O ATOM 586 OE2 GLU A 65 91.403 63.884 2.261 1.00 32.59 O ATOM 587 H GLU A 65 90.237 61.737 8.132 1.00 0.00 H ATOM 588 N ILE A 66 87.121 62.747 5.732 1.00 18.55 N ATOM 589 CA ILE A 66 85.860 62.074 5.440 1.00 18.51 C ATOM 590 C ILE A 66 85.588 62.243 3.954 1.00 23.13 C ATOM 591 O ILE A 66 85.334 63.360 3.485 1.00 20.31 O ATOM 592 CB ILE A 66 84.700 62.633 6.277 1.00 23.26 C ATOM 593 CG1 ILE A 66 84.976 62.450 7.772 1.00 23.90 C ATOM 594 CG2 ILE A 66 83.389 61.946 5.916 1.00 18.57 C ATOM 595 CD1 ILE A 66 84.386 63.541 8.643 1.00 19.34 C ATOM 596 H ILE A 66 87.186 63.772 5.566 1.00 0.00 H ATOM 597 N CYS A 67 85.637 61.139 3.212 1.00 21.42 N ATOM 598 CA CYS A 67 85.322 61.153 1.788 1.00 33.16 C ATOM 599 C CYS A 67 86.108 62.248 1.069 1.00 26.14 C ATOM 600 O CYS A 67 85.574 62.978 0.232 1.00 32.29 O ATOM 601 CB CYS A 67 83.816 61.328 1.573 1.00 34.07 C ATOM 602 SG CYS A 67 83.233 60.816 -0.049 1.00 44.03 S ATOM 603 H CYS A 67 85.908 60.241 3.661 1.00 0.00 H ATOM 604 N GLY A 68 87.389 62.372 1.412 1.00 23.56 N ATOM 605 CA GLY A 68 88.257 63.351 0.789 1.00 29.67 C ATOM 606 C GLY A 68 88.138 64.759 1.325 1.00 32.99 C ATOM 607 O GLY A 68 88.721 65.676 0.735 1.00 31.75 O ATOM 608 H GLY A 68 87.777 61.748 2.148 1.00 0.00 H ATOM 609 N HIS A 69 87.408 64.965 2.421 1.00 26.44 N ATOM 610 CA HIS A 69 87.249 66.277 3.035 1.00 23.01 C ATOM 611 C HIS A 69 87.824 66.235 4.442 1.00 24.08 C ATOM 612 O HIS A 69 87.481 65.348 5.233 1.00 21.41 O ATOM 613 CB HIS A 69 85.776 66.706 3.073 1.00 24.37 C ATOM 614 CG HIS A 69 85.215 67.061 1.730 1.00 32.95 C ATOM 615 ND1 HIS A 69 84.915 66.115 0.773 1.00 27.93 N ATOM 616 CD2 HIS A 69 84.904 68.260 1.184 1.00 27.09 C ATOM 617 CE1 HIS A 69 84.444 66.717 -0.305 1.00 20.90 C ATOM 618 NE2 HIS A 69 84.424 68.018 -0.080 1.00 29.99 N ATOM 619 H HIS A 69 86.930 64.152 2.858 1.00 0.00 H ATOM 620 N LYS A 70 88.688 67.197 4.752 1.00 17.56 N ATOM 621 CA LYS A 70 89.417 67.206 6.010 1.00 17.13 C ATOM 622 C LYS A 70 88.600 67.868 7.111 1.00 27.06 C ATOM 623 O LYS A 70 87.932 68.883 6.891 1.00 23.58 O ATOM 624 CB LYS A 70 90.753 67.932 5.850 1.00 27.20 C ATOM 625 H LYS A 70 88.848 67.968 4.073 1.00 0.00 H ATOM 626 N ALA A 71 88.662 67.282 8.302 1.00 16.79 N ATOM 627 CA ALA A 71 88.055 67.856 9.488 1.00 18.95 C ATOM 628 C ALA A 71 89.004 67.665 10.660 1.00 23.34 C ATOM 629 O ALA A 71 89.898 66.816 10.631 1.00 17.81 O ATOM 630 CB ALA A 71 86.692 67.222 9.797 1.00 22.53 C ATOM 631 H ALA A 71 89.166 66.376 8.387 1.00 0.00 H ATOM 632 N ILE A 72 88.804 68.481 11.691 1.00 17.34 N ATOM 633 CA ILE A 72 89.566 68.388 12.931 1.00 17.62 C ATOM 634 C ILE A 72 88.580 68.636 14.063 1.00 24.91 C ATOM 635 O ILE A 72 88.095 69.761 14.230 1.00 23.24 O ATOM 636 CB ILE A 72 90.725 69.394 12.995 1.00 17.06 C ATOM 637 CG1 ILE A 72 91.625 69.251 11.762 1.00 19.58 C ATOM 638 CG2 ILE A 72 91.511 69.200 14.284 1.00 17.34 C ATOM 639 CD1 ILE A 72 92.773 70.265 11.686 1.00 20.47 C ATOM 640 H ILE A 72 88.073 69.217 11.610 1.00 0.00 H ATOM 641 N GLY A 73 88.283 67.604 14.836 1.00 22.68 N ATOM 642 CA GLY A 73 87.302 67.753 15.886 1.00 23.09 C ATOM 643 C GLY A 73 87.308 66.594 16.853 1.00 23.92 C ATOM 644 O GLY A 73 88.250 65.799 16.896 1.00 19.62 O ATOM 645 H GLY A 73 88.754 66.689 14.688 1.00 0.00 H ATOM 646 N THR A 74 86.233 66.515 17.633 1.00 19.33 N ATOM 647 CA THR A 74 86.121 65.521 18.689 1.00 17.80 C ATOM 648 C THR A 74 85.674 64.183 18.121 1.00 20.97 C ATOM 649 O THR A 74 84.744 64.111 17.311 1.00 15.28 O ATOM 650 CB THR A 74 85.129 65.990 19.759 1.00 22.80 C ATOM 651 OG1 THR A 74 85.584 67.225 20.324 1.00 22.55 O ATOM 652 CG2 THR A 74 84.991 64.960 20.872 1.00 24.64 C ATOM 653 HG1 THR A 74 86.474 67.090 20.735 1.00 0.00 H ATOM 654 H THR A 74 85.450 67.183 17.483 1.00 0.00 H ATOM 655 N VAL A 75 86.339 63.119 18.565 1.00 18.13 N ATOM 656 CA VAL A 75 86.011 61.752 18.180 1.00 20.01 C ATOM 657 C VAL A 75 85.846 60.939 19.455 1.00 20.36 C ATOM 658 O VAL A 75 86.742 60.921 20.306 1.00 16.90 O ATOM 659 CB VAL A 75 87.099 61.139 17.274 1.00 25.24 C ATOM 660 CG1 VAL A 75 86.773 59.691 16.927 1.00 27.32 C ATOM 661 CG2 VAL A 75 87.256 61.966 15.999 1.00 27.04 C ATOM 662 H VAL A 75 87.133 63.271 19.220 1.00 0.00 H ATOM 663 N LEU A 76 84.695 60.295 19.598 1.00 13.97 N ATOM 664 CA LEU A 76 84.419 59.413 20.722 1.00 17.96 C ATOM 665 C LEU A 76 84.627 57.968 20.288 1.00 16.30 C ATOM 666 O LEU A 76 84.196 57.571 19.202 1.00 14.57 O ATOM 667 CB LEU A 76 82.989 59.615 21.225 1.00 16.49 C ATOM 668 CG LEU A 76 82.600 61.079 21.460 1.00 13.44 C ATOM 669 CD1 LEU A 76 81.163 61.174 21.932 1.00 16.16 C ATOM 670 CD2 LEU A 76 83.520 61.739 22.465 1.00 17.46 C ATOM 671 H LEU A 76 83.958 60.426 18.876 1.00 0.00 H ATOM 672 N VAL A 77 85.296 57.190 21.136 1.00 15.49 N ATOM 673 CA VAL A 77 85.640 55.802 20.842 1.00 18.38 C ATOM 674 C VAL A 77 85.047 54.921 21.931 1.00 17.49 C ATOM 675 O VAL A 77 85.287 55.151 23.122 1.00 15.68 O ATOM 676 CB VAL A 77 87.166 55.603 20.746 1.00 24.76 C ATOM 677 CG1 VAL A 77 87.506 54.141 20.471 1.00 28.27 C ATOM 678 CG2 VAL A 77 87.747 56.488 19.659 1.00 25.99 C ATOM 679 H VAL A 77 85.587 57.590 22.051 1.00 0.00 H ATOM 680 N GLY A 78 84.279 53.913 21.523 1.00 21.42 N ATOM 681 CA GLY A 78 83.627 53.031 22.460 1.00 22.91 C ATOM 682 C GLY A 78 82.724 52.024 21.779 1.00 17.71 C ATOM 683 O GLY A 78 82.697 51.908 20.548 1.00 17.54 O ATOM 684 H GLY A 78 84.146 53.758 20.503 1.00 0.00 H ATOM 685 N PRO A 79 81.959 51.275 22.572 1.00 21.26 N ATOM 686 CA PRO A 79 81.160 50.180 22.004 1.00 15.38 C ATOM 687 C PRO A 79 79.917 50.660 21.270 1.00 16.16 C ATOM 688 O PRO A 79 78.787 50.341 21.656 1.00 19.02 O ATOM 689 CB PRO A 79 80.807 49.337 23.236 1.00 22.66 C ATOM 690 CG PRO A 79 80.788 50.321 24.363 1.00 29.52 C ATOM 691 CD PRO A 79 81.863 51.327 24.042 1.00 20.90 C ATOM 692 N THR A 80 80.121 51.436 20.205 1.00 22.08 N ATOM 693 CA THR A 80 79.041 51.785 19.300 1.00 14.87 C ATOM 694 C THR A 80 78.808 50.641 18.316 1.00 13.82 C ATOM 695 O THR A 80 79.758 49.974 17.893 1.00 17.28 O ATOM 696 CB THR A 80 79.367 53.065 18.531 1.00 16.62 C ATOM 697 OG1 THR A 80 78.309 53.360 17.612 1.00 15.33 O ATOM 698 CG2 THR A 80 80.679 52.928 17.753 1.00 16.87 C ATOM 699 HG1 THR A 80 78.209 52.610 16.974 1.00 0.00 H ATOM 700 H THR A 80 81.077 51.800 20.018 1.00 0.00 H ATOM 701 N PRO A 81 77.554 50.386 17.937 1.00 12.28 N ATOM 702 CA PRO A 81 77.305 49.295 16.981 1.00 15.89 C ATOM 703 C PRO A 81 77.922 49.536 15.612 1.00 18.96 C ATOM 704 O PRO A 81 78.255 48.571 14.914 1.00 15.21 O ATOM 705 CB PRO A 81 75.772 49.235 16.908 1.00 21.31 C ATOM 706 CG PRO A 81 75.311 50.577 17.343 1.00 24.62 C ATOM 707 CD PRO A 81 76.306 51.040 18.365 1.00 16.56 C ATOM 708 N VAL A 82 78.091 50.798 15.212 1.00 12.94 N ATOM 709 CA VAL A 82 78.596 51.148 13.889 1.00 15.86 C ATOM 710 C VAL A 82 79.383 52.447 14.008 1.00 13.25 C ATOM 711 O VAL A 82 79.084 53.296 14.853 1.00 17.55 O ATOM 712 CB VAL A 82 77.433 51.288 12.871 1.00 26.09 C ATOM 713 CG1 VAL A 82 77.888 51.967 11.583 1.00 35.16 C ATOM 714 CG2 VAL A 82 76.815 49.917 12.560 1.00 29.41 C ATOM 715 H VAL A 82 77.852 51.565 15.872 1.00 0.00 H ATOM 716 N ASN A 83 80.396 52.601 13.154 1.00 14.28 N ATOM 717 CA ASN A 83 81.109 53.869 13.050 1.00 18.80 C ATOM 718 C ASN A 83 80.175 54.924 12.474 1.00 13.62 C ATOM 719 O ASN A 83 79.700 54.785 11.341 1.00 13.97 O ATOM 720 CB ASN A 83 82.341 53.731 12.158 1.00 13.66 C ATOM 721 CG ASN A 83 83.408 52.827 12.751 1.00 19.72 C ATOM 722 OD1 ASN A 83 83.567 52.740 13.969 1.00 19.03 O ATOM 723 ND2 ASN A 83 84.158 52.161 11.882 1.00 22.60 N ATOM 724 HD22 ASN A 83 83.988 52.265 10.861 1.00 0.00 H ATOM 725 HD21 ASN A 83 84.916 51.535 12.222 1.00 0.00 H ATOM 726 H ASN A 83 80.682 51.803 12.552 1.00 0.00 H ATOM 727 N ILE A 84 79.919 55.984 13.235 1.00 10.70 N ATOM 728 CA ILE A 84 79.014 57.041 12.805 1.00 8.97 C ATOM 729 C ILE A 84 79.750 58.371 12.803 1.00 13.00 C ATOM 730 O ILE A 84 80.487 58.690 13.743 1.00 13.18 O ATOM 731 CB ILE A 84 77.757 57.113 13.696 1.00 9.77 C ATOM 732 CG1 ILE A 84 78.151 57.300 15.165 1.00 16.16 C ATOM 733 CG2 ILE A 84 76.929 55.855 13.495 1.00 12.47 C ATOM 734 CD1 ILE A 84 76.984 57.472 16.107 1.00 17.02 C ATOM 735 H ILE A 84 80.379 56.061 14.165 1.00 0.00 H ATOM 736 N ILE A 85 79.547 59.138 11.736 1.00 14.18 N ATOM 737 CA ILE A 85 80.026 60.511 11.634 1.00 12.81 C ATOM 738 C ILE A 85 78.857 61.424 11.968 1.00 17.33 C ATOM 739 O ILE A 85 77.831 61.412 11.273 1.00 13.38 O ATOM 740 CB ILE A 85 80.577 60.821 10.232 1.00 15.34 C ATOM 741 CG1 ILE A 85 81.616 59.781 9.814 1.00 11.85 C ATOM 742 CG2 ILE A 85 81.178 62.225 10.199 1.00 14.57 C ATOM 743 CD1 ILE A 85 82.791 59.664 10.767 1.00 15.07 C ATOM 744 H ILE A 85 79.020 58.738 10.934 1.00 0.00 H ATOM 745 N GLY A 86 79.013 62.215 13.030 1.00 11.73 N ATOM 746 CA GLY A 86 77.958 63.070 13.522 1.00 15.87 C ATOM 747 C GLY A 86 78.097 64.515 13.061 1.00 12.98 C ATOM 748 O GLY A 86 79.025 64.899 12.355 1.00 11.99 O ATOM 749 H GLY A 86 79.929 62.216 13.523 1.00 0.00 H ATOM 750 N ARG A 87 77.142 65.332 13.515 1.00 12.53 N ATOM 751 CA ARG A 87 77.034 66.700 13.022 1.00 13.83 C ATOM 752 C ARG A 87 78.268 67.526 13.360 1.00 8.39 C ATOM 753 O ARG A 87 78.581 68.482 12.643 1.00 13.64 O ATOM 754 CB ARG A 87 75.776 67.372 13.585 1.00 13.89 C ATOM 755 CG ARG A 87 74.474 66.808 13.026 1.00 9.96 C ATOM 756 CD ARG A 87 73.253 67.594 13.503 1.00 12.08 C ATOM 757 NE ARG A 87 73.133 67.545 14.958 1.00 16.07 N ATOM 758 CZ ARG A 87 73.502 68.510 15.799 1.00 17.43 C ATOM 759 NH1 ARG A 87 74.009 69.657 15.358 1.00 12.83 N ATOM 760 NH2 ARG A 87 73.359 68.320 17.103 1.00 12.61 N ATOM 761 HE ARG A 87 72.725 66.683 15.373 1.00 0.00 H ATOM 762 HH12 ARG A 87 74.290 70.396 16.034 1.00 0.00 H ATOM 763 HH11 ARG A 87 74.125 69.816 14.337 1.00 0.00 H ATOM 764 HH22 ARG A 87 73.643 69.065 17.771 1.00 0.00 H ATOM 765 HH21 ARG A 87 72.963 67.426 17.458 1.00 0.00 H ATOM 766 H ARG A 87 76.468 64.988 14.228 1.00 0.00 H ATOM 767 N ASN A 88 78.986 67.182 14.432 1.00 15.72 N ATOM 768 CA ASN A 88 80.166 67.965 14.790 1.00 15.23 C ATOM 769 C ASN A 88 81.203 67.948 13.672 1.00 15.07 C ATOM 770 O ASN A 88 81.973 68.904 13.525 1.00 16.24 O ATOM 771 CB ASN A 88 80.775 67.448 16.094 1.00 17.77 C ATOM 772 CG ASN A 88 81.411 66.081 15.938 1.00 12.65 C ATOM 773 OD1 ASN A 88 80.796 65.152 15.414 1.00 13.98 O ATOM 774 ND2 ASN A 88 82.654 65.956 16.383 1.00 11.75 N ATOM 775 HD22 ASN A 88 83.134 66.769 16.819 1.00 0.00 H ATOM 776 HD21 ASN A 88 83.148 65.045 16.296 1.00 0.00 H ATOM 777 H ASN A 88 78.707 66.362 15.008 1.00 0.00 H ATOM 778 N LEU A 89 81.235 66.882 12.871 1.00 13.80 N ATOM 779 CA LEU A 89 82.128 66.806 11.721 1.00 14.46 C ATOM 780 C LEU A 89 81.418 67.049 10.399 1.00 13.42 C ATOM 781 O LEU A 89 82.019 67.623 9.485 1.00 14.12 O ATOM 782 CB LEU A 89 82.826 65.439 11.676 1.00 13.18 C ATOM 783 CG LEU A 89 83.632 65.062 12.925 1.00 16.22 C ATOM 784 CD1 LEU A 89 84.360 63.734 12.723 1.00 17.72 C ATOM 785 CD2 LEU A 89 84.621 66.162 13.304 1.00 22.94 C ATOM 786 H LEU A 89 80.604 66.081 13.073 1.00 0.00 H ATOM 787 N LEU A 90 80.149 66.648 10.276 1.00 14.09 N ATOM 788 CA LEU A 90 79.418 66.912 9.042 1.00 9.87 C ATOM 789 C LEU A 90 79.392 68.404 8.727 1.00 15.79 C ATOM 790 O LEU A 90 79.470 68.797 7.559 1.00 13.07 O ATOM 791 CB LEU A 90 77.998 66.355 9.139 1.00 12.91 C ATOM 792 CG LEU A 90 77.864 64.832 9.243 1.00 14.14 C ATOM 793 CD1 LEU A 90 76.416 64.463 9.416 1.00 13.34 C ATOM 794 CD2 LEU A 90 78.442 64.122 8.031 1.00 17.19 C ATOM 795 H LEU A 90 79.683 66.148 11.060 1.00 0.00 H ATOM 796 N THR A 91 79.295 69.254 9.756 1.00 12.20 N ATOM 797 CA THR A 91 79.333 70.695 9.516 1.00 17.43 C ATOM 798 C THR A 91 80.686 71.125 8.964 1.00 19.95 C ATOM 799 O THR A 91 80.753 71.995 8.086 1.00 14.07 O ATOM 800 CB THR A 91 79.023 71.471 10.800 1.00 15.60 C ATOM 801 OG1 THR A 91 79.926 71.079 11.837 1.00 16.43 O ATOM 802 CG2 THR A 91 77.589 71.237 11.259 1.00 18.42 C ATOM 803 HG1 THR A 91 79.827 70.109 12.010 1.00 0.00 H ATOM 804 H THR A 91 79.193 68.890 10.725 1.00 0.00 H ATOM 805 N GLN A 92 81.773 70.523 9.460 1.00 15.12 N ATOM 806 CA GLN A 92 83.107 70.937 9.033 1.00 17.67 C ATOM 807 C GLN A 92 83.320 70.662 7.549 1.00 24.48 C ATOM 808 O GLN A 92 83.987 71.440 6.858 1.00 22.01 O ATOM 809 CB GLN A 92 84.178 70.229 9.869 1.00 12.01 C ATOM 810 CG GLN A 92 84.209 70.652 11.323 1.00 14.99 C ATOM 811 CD GLN A 92 85.530 70.344 11.998 1.00 11.28 C ATOM 812 OE1 GLN A 92 86.542 70.100 11.338 1.00 18.07 O ATOM 813 NE2 GLN A 92 85.528 70.357 13.325 1.00 17.82 N ATOM 814 HE22 GLN A 92 84.650 70.568 13.842 1.00 0.00 H ATOM 815 HE21 GLN A 92 86.404 70.156 13.848 1.00 0.00 H ATOM 816 H GLN A 92 81.667 69.756 10.154 1.00 0.00 H ATOM 817 N ILE A 93 82.791 69.544 7.042 1.00 17.81 N ATOM 818 CA ILE A 93 82.910 69.244 5.617 1.00 21.45 C ATOM 819 C ILE A 93 81.840 69.926 4.765 1.00 16.52 C ATOM 820 O ILE A 93 81.792 69.690 3.551 1.00 16.65 O ATOM 821 CB ILE A 93 82.898 67.717 5.380 1.00 19.06 C ATOM 822 CG1 ILE A 93 81.551 67.100 5.783 1.00 16.45 C ATOM 823 CG2 ILE A 93 84.041 67.072 6.160 1.00 20.90 C ATOM 824 CD1 ILE A 93 81.429 65.615 5.437 1.00 17.30 C ATOM 825 H ILE A 93 82.290 68.881 7.668 1.00 0.00 H ATOM 826 N GLY A 94 81.000 70.777 5.350 1.00 21.82 N ATOM 827 CA GLY A 94 80.006 71.511 4.577 1.00 19.80 C ATOM 828 C GLY A 94 78.819 70.676 4.151 1.00 25.35 C ATOM 829 O GLY A 94 78.219 70.942 3.102 1.00 20.40 O ATOM 830 H GLY A 94 81.054 70.921 6.379 1.00 0.00 H ATOM 831 N CYS A 95 78.436 69.700 4.964 1.00 21.32 N ATOM 832 CA CYS A 95 77.351 68.791 4.628 1.00 14.14 C ATOM 833 C CYS A 95 76.007 69.403 5.007 1.00 14.53 C ATOM 834 O CYS A 95 75.844 69.931 6.112 1.00 24.78 O ATOM 835 CB CYS A 95 77.552 67.452 5.340 1.00 19.69 C ATOM 836 SG CYS A 95 76.400 66.191 4.815 1.00 26.40 S ATOM 837 H CYS A 95 78.928 69.581 5.872 1.00 0.00 H ATOM 838 N THR A 96 75.054 69.341 4.078 1.00 15.72 N ATOM 839 CA THR A 96 73.686 69.777 4.314 1.00 17.12 C ATOM 840 C THR A 96 72.705 68.716 3.830 1.00 14.13 C ATOM 841 O THR A 96 73.024 67.880 2.981 1.00 18.39 O ATOM 842 CB THR A 96 73.369 71.095 3.594 1.00 18.52 C ATOM 843 OG1 THR A 96 73.457 70.896 2.177 1.00 17.39 O ATOM 844 CG2 THR A 96 74.332 72.201 4.024 1.00 21.55 C ATOM 845 HG1 THR A 96 74.373 70.602 1.942 1.00 0.00 H ATOM 846 H THR A 96 75.299 68.963 3.141 1.00 0.00 H ATOM 847 N LEU A 97 71.496 68.772 4.381 1.00 16.48 N ATOM 848 CA LEU A 97 70.367 68.012 3.865 1.00 15.36 C ATOM 849 C LEU A 97 69.580 68.880 2.896 1.00 23.40 C ATOM 850 O LEU A 97 69.402 70.080 3.124 1.00 16.76 O ATOM 851 CB LEU A 97 69.456 67.549 5.002 1.00 13.94 C ATOM 852 CG LEU A 97 70.014 66.469 5.922 1.00 14.21 C ATOM 853 CD1 LEU A 97 69.184 66.384 7.198 1.00 19.94 C ATOM 854 CD2 LEU A 97 70.035 65.129 5.199 1.00 22.07 C ATOM 855 H LEU A 97 71.352 69.381 5.211 1.00 0.00 H ATOM 856 N ASN A 98 69.107 68.267 1.814 1.00 16.40 N ATOM 857 CA ASN A 98 68.404 68.992 0.765 1.00 23.80 C ATOM 858 C ASN A 98 67.259 68.144 0.238 1.00 24.01 C ATOM 859 O ASN A 98 67.439 66.953 -0.031 1.00 24.63 O ATOM 860 CB ASN A 98 69.356 69.353 -0.380 1.00 19.09 C ATOM 861 CG ASN A 98 70.499 70.239 0.072 1.00 21.48 C ATOM 862 OD1 ASN A 98 70.421 71.463 -0.020 1.00 24.05 O ATOM 863 ND2 ASN A 98 71.570 69.624 0.567 1.00 22.38 N ATOM 864 HD22 ASN A 98 71.593 68.586 0.626 1.00 0.00 H ATOM 865 HD21 ASN A 98 72.385 70.181 0.895 1.00 0.00 H ATOM 866 H ASN A 98 69.243 67.241 1.715 1.00 0.00 H ATOM 867 N PHE A 99 66.091 68.760 0.082 1.00 23.07 N ATOM 868 CA PHE A 99 64.958 68.090 -0.549 1.00 25.09 C ATOM 869 C PHE A 99 63.987 69.105 -1.141 1.00 29.75 C ATOM 870 O PHE A 99 62.972 68.735 -1.730 1.00 33.22 O ATOM 871 CB PHE A 99 64.235 67.179 0.449 1.00 26.97 C ATOM 872 CG PHE A 99 63.725 67.883 1.674 1.00 24.87 C ATOM 873 CD1 PHE A 99 64.552 68.075 2.768 1.00 30.93 C ATOM 874 CD2 PHE A 99 62.414 68.322 1.746 1.00 29.95 C ATOM 875 CE1 PHE A 99 64.088 68.710 3.903 1.00 39.26 C ATOM 876 CE2 PHE A 99 61.944 68.958 2.881 1.00 40.88 C ATOM 877 CZ PHE A 99 62.783 69.152 3.960 1.00 40.03 C ATOM 878 OXT PHE A 99 64.198 70.314 -1.053 1.00 37.88 O ATOM 879 H PHE A 99 65.983 69.739 0.416 1.00 0.00 H TER 880 PHE A 99 ATOM 881 N PRO B 1 63.764 72.549 0.690 1.00 40.55 N ATOM 882 CA PRO B 1 64.732 73.461 1.309 1.00 31.69 C ATOM 883 C PRO B 1 66.112 72.847 1.514 1.00 38.35 C ATOM 884 O PRO B 1 66.355 71.689 1.167 1.00 24.99 O ATOM 885 CB PRO B 1 64.084 73.787 2.661 1.00 36.20 C ATOM 886 CG PRO B 1 63.232 72.615 2.959 1.00 43.23 C ATOM 887 CD PRO B 1 62.695 72.171 1.628 1.00 22.86 C ATOM 888 HN2 PRO B 1 64.261 71.689 0.381 1.00 0.00 H ATOM 889 HN1 PRO B 1 63.339 73.018 -0.135 1.00 0.00 H ATOM 890 N GLN B 2 67.017 73.646 2.068 1.00 27.11 N ATOM 891 CA GLN B 2 68.339 73.191 2.467 1.00 23.36 C ATOM 892 C GLN B 2 68.464 73.358 3.972 1.00 29.69 C ATOM 893 O GLN B 2 68.233 74.451 4.501 1.00 32.73 O ATOM 894 CB GLN B 2 69.439 73.973 1.746 1.00 25.71 C ATOM 895 CG GLN B 2 70.840 73.641 2.226 1.00 24.20 C ATOM 896 CD GLN B 2 71.913 74.307 1.394 1.00 33.09 C ATOM 897 OE1 GLN B 2 72.178 73.904 0.262 1.00 38.27 O ATOM 898 NE2 GLN B 2 72.539 75.334 1.954 1.00 35.68 N ATOM 899 HE22 GLN B 2 72.281 75.639 2.914 1.00 0.00 H ATOM 900 HE21 GLN B 2 73.288 75.834 1.433 1.00 0.00 H ATOM 901 H GLN B 2 66.768 74.644 2.224 1.00 0.00 H ATOM 902 N ILE B 3 68.814 72.276 4.658 1.00 18.44 N ATOM 903 CA ILE B 3 68.928 72.272 6.109 1.00 22.40 C ATOM 904 C ILE B 3 70.400 72.121 6.463 1.00 22.54 C ATOM 905 O ILE B 3 71.024 71.105 6.134 1.00 15.37 O ATOM 906 CB ILE B 3 68.080 71.156 6.738 1.00 21.41 C ATOM 907 CG1 ILE B 3 66.602 71.384 6.412 1.00 27.16 C ATOM 908 CG2 ILE B 3 68.286 71.111 8.243 1.00 18.29 C ATOM 909 CD1 ILE B 3 65.699 70.248 6.811 1.00 28.36 C ATOM 910 H ILE B 3 69.014 71.398 4.138 1.00 0.00 H ATOM 911 N THR B 4 70.954 73.137 7.120 1.00 17.14 N ATOM 912 CA THR B 4 72.296 73.039 7.664 1.00 15.71 C ATOM 913 C THR B 4 72.262 72.225 8.956 1.00 15.38 C ATOM 914 O THR B 4 71.202 71.970 9.532 1.00 20.03 O ATOM 915 CB THR B 4 72.888 74.432 7.903 1.00 21.16 C ATOM 916 OG1 THR B 4 72.051 75.177 8.798 1.00 23.54 O ATOM 917 CG2 THR B 4 73.010 75.189 6.590 1.00 17.65 C ATOM 918 HG1 THR B 4 72.443 76.074 8.945 1.00 0.00 H ATOM 919 H THR B 4 70.415 74.018 7.246 1.00 0.00 H ATOM 920 N LEU B 5 73.441 71.800 9.408 1.00 16.52 N ATOM 921 CA LEU B 5 73.540 70.852 10.510 1.00 15.91 C ATOM 922 C LEU B 5 74.199 71.451 11.748 1.00 15.24 C ATOM 923 O LEU B 5 74.717 70.707 12.587 1.00 11.92 O ATOM 924 CB LEU B 5 74.298 69.603 10.054 1.00 14.53 C ATOM 925 CG LEU B 5 73.668 68.874 8.862 1.00 13.93 C ATOM 926 CD1 LEU B 5 74.557 67.737 8.380 1.00 18.67 C ATOM 927 CD2 LEU B 5 72.280 68.348 9.221 1.00 15.42 C ATOM 928 H LEU B 5 74.312 72.154 8.963 1.00 0.00 H ATOM 929 N TRP B 6 74.178 72.779 11.892 1.00 14.11 N ATOM 930 CA TRP B 6 74.656 73.390 13.129 1.00 16.67 C ATOM 931 C TRP B 6 73.856 72.896 14.326 1.00 14.80 C ATOM 932 O TRP B 6 74.403 72.703 15.419 1.00 13.77 O ATOM 933 CB TRP B 6 74.563 74.912 13.041 1.00 16.81 C ATOM 934 CG TRP B 6 75.447 75.539 12.012 1.00 19.58 C ATOM 935 CD1 TRP B 6 75.050 76.216 10.899 1.00 17.67 C ATOM 936 CD2 TRP B 6 76.883 75.565 12.009 1.00 17.11 C ATOM 937 NE1 TRP B 6 76.146 76.661 10.200 1.00 17.72 N ATOM 938 CE2 TRP B 6 77.283 76.278 10.861 1.00 19.14 C ATOM 939 CE3 TRP B 6 77.867 75.057 12.864 1.00 19.74 C ATOM 940 CZ2 TRP B 6 78.622 76.491 10.542 1.00 23.16 C ATOM 941 CZ3 TRP B 6 79.198 75.273 12.547 1.00 24.22 C ATOM 942 CH2 TRP B 6 79.562 75.985 11.396 1.00 20.38 C ATOM 943 HE1 TRP B 6 76.117 77.202 9.312 1.00 0.00 H ATOM 944 H TRP B 6 73.820 73.379 11.121 1.00 0.00 H ATOM 945 N LYS B 7 72.556 72.707 14.142 1.00 12.09 N ATOM 946 CA LYS B 7 71.675 72.176 15.168 1.00 15.06 C ATOM 947 C LYS B 7 70.976 70.938 14.624 1.00 14.21 C ATOM 948 O LYS B 7 71.090 70.601 13.445 1.00 14.92 O ATOM 949 CB LYS B 7 70.651 73.231 15.617 1.00 24.56 C ATOM 950 CG LYS B 7 69.661 73.649 14.544 1.00 21.63 C ATOM 951 CD LYS B 7 68.712 74.726 15.068 1.00 34.97 C ATOM 952 CE LYS B 7 67.563 74.987 14.108 1.00 31.65 C ATOM 953 NZ LYS B 7 66.645 76.047 14.622 1.00 54.21 N ATOM 954 HZ1 LYS B 7 66.248 75.747 15.535 1.00 0.00 H ATOM 955 HZ2 LYS B 7 67.176 76.933 14.747 1.00 0.00 H ATOM 956 HZ3 LYS B 7 65.874 76.197 13.940 1.00 0.00 H ATOM 957 H LYS B 7 72.147 72.951 13.217 1.00 0.00 H ATOM 958 N ARG B 8 70.254 70.252 15.502 1.00 13.10 N ATOM 959 CA ARG B 8 69.573 69.033 15.099 1.00 16.89 C ATOM 960 C ARG B 8 68.583 69.331 13.972 1.00 12.70 C ATOM 961 O ARG B 8 67.843 70.320 14.043 1.00 14.11 O ATOM 962 CB ARG B 8 68.844 68.417 16.293 1.00 17.87 C ATOM 963 CG ARG B 8 69.774 67.882 17.361 1.00 15.25 C ATOM 964 CD ARG B 8 69.025 67.113 18.440 1.00 23.43 C ATOM 965 NE ARG B 8 69.943 66.459 19.369 1.00 19.85 N ATOM 966 CZ ARG B 8 69.576 65.564 20.282 1.00 34.46 C ATOM 967 NH1 ARG B 8 68.305 65.208 20.397 1.00 31.46 N ATOM 968 NH2 ARG B 8 70.484 65.022 21.082 1.00 28.38 N ATOM 969 HE ARG B 8 70.951 66.710 19.313 1.00 0.00 H ATOM 970 HH12 ARG B 8 68.024 64.508 21.113 1.00 0.00 H ATOM 971 HH11 ARG B 8 67.588 65.629 19.772 1.00 0.00 H ATOM 972 HH22 ARG B 8 70.197 64.322 21.796 1.00 0.00 H ATOM 973 HH21 ARG B 8 71.483 65.297 20.996 1.00 0.00 H ATOM 974 H ARG B 8 70.175 70.589 16.483 1.00 0.00 H ATOM 975 N PRO B 9 68.539 68.501 12.916 1.00 12.04 N ATOM 976 CA PRO B 9 67.580 68.747 11.816 1.00 11.87 C ATOM 977 C PRO B 9 66.169 68.283 12.158 1.00 14.52 C ATOM 978 O PRO B 9 65.657 67.266 11.672 1.00 14.94 O ATOM 979 CB PRO B 9 68.202 67.958 10.660 1.00 15.47 C ATOM 980 CG PRO B 9 68.872 66.815 11.320 1.00 12.35 C ATOM 981 CD PRO B 9 69.409 67.344 12.629 1.00 11.85 C ATOM 982 N LEU B 10 65.518 69.054 13.024 1.00 9.88 N ATOM 983 CA LEU B 10 64.164 68.767 13.469 1.00 12.46 C ATOM 984 C LEU B 10 63.163 69.428 12.535 1.00 20.28 C ATOM 985 O LEU B 10 63.328 70.588 12.147 1.00 15.69 O ATOM 986 CB LEU B 10 63.951 69.268 14.898 1.00 16.39 C ATOM 987 CG LEU B 10 64.714 68.533 16.000 1.00 18.17 C ATOM 988 CD1 LEU B 10 64.687 69.326 17.298 1.00 30.91 C ATOM 989 CD2 LEU B 10 64.115 67.147 16.200 1.00 22.14 C ATOM 990 H LEU B 10 65.997 69.897 13.399 1.00 0.00 H ATOM 991 N VAL B 11 62.121 68.680 12.177 1.00 14.32 N ATOM 992 CA VAL B 11 61.056 69.183 11.323 1.00 20.12 C ATOM 993 C VAL B 11 59.725 68.684 11.867 1.00 21.25 C ATOM 994 O VAL B 11 59.658 67.706 12.614 1.00 16.68 O ATOM 995 CB VAL B 11 61.233 68.746 9.850 1.00 19.18 C ATOM 996 CG1 VAL B 11 62.549 69.282 9.291 1.00 21.53 C ATOM 997 CG2 VAL B 11 61.184 67.233 9.726 1.00 17.96 C ATOM 998 H VAL B 11 62.067 67.700 12.521 1.00 0.00 H ATOM 999 N THR B 12 58.656 69.372 11.482 1.00 19.16 N ATOM 1000 CA THR B 12 57.320 68.954 11.877 1.00 17.01 C ATOM 1001 C THR B 12 56.820 67.859 10.948 1.00 17.38 C ATOM 1002 O THR B 12 56.973 67.941 9.726 1.00 17.90 O ATOM 1003 CB THR B 12 56.355 70.140 11.855 1.00 20.68 C ATOM 1004 OG1 THR B 12 56.867 71.179 12.692 1.00 17.54 O ATOM 1005 CG2 THR B 12 54.980 69.730 12.366 1.00 15.28 C ATOM 1006 HG1 THR B 12 56.244 71.948 12.680 1.00 0.00 H ATOM 1007 H THR B 12 58.776 70.219 10.891 1.00 0.00 H ATOM 1008 N ILE B 13 56.238 66.820 11.541 1.00 15.96 N ATOM 1009 CA ILE B 13 55.628 65.732 10.795 1.00 19.87 C ATOM 1010 C ILE B 13 54.174 65.619 11.226 1.00 22.38 C ATOM 1011 O ILE B 13 53.788 66.042 12.319 1.00 19.55 O ATOM 1012 CB ILE B 13 56.360 64.388 11.002 1.00 16.04 C ATOM 1013 CG1 ILE B 13 56.231 63.915 12.458 1.00 15.45 C ATOM 1014 CG2 ILE B 13 57.821 64.529 10.610 1.00 18.67 C ATOM 1015 CD1 ILE B 13 56.797 62.529 12.712 1.00 27.97 C ATOM 1016 H ILE B 13 56.219 66.785 12.580 1.00 0.00 H ATOM 1017 N LYS B 14 53.366 65.034 10.345 1.00 16.81 N ATOM 1018 CA LYS B 14 51.982 64.689 10.648 1.00 21.14 C ATOM 1019 C LYS B 14 51.806 63.191 10.456 1.00 18.49 C ATOM 1020 O LYS B 14 52.076 62.669 9.369 1.00 18.98 O ATOM 1021 CB LYS B 14 51.006 65.465 9.761 1.00 27.17 C ATOM 1022 CG LYS B 14 49.538 65.167 10.065 1.00 24.98 C ATOM 1023 CD LYS B 14 48.593 66.135 9.361 1.00 26.08 C ATOM 1024 CE LYS B 14 48.298 65.708 7.934 1.00 40.19 C ATOM 1025 NZ LYS B 14 47.367 66.659 7.256 1.00 47.68 N ATOM 1026 HZ1 LYS B 14 46.469 66.696 7.780 1.00 0.00 H ATOM 1027 HZ2 LYS B 14 47.796 67.606 7.234 1.00 0.00 H ATOM 1028 HZ3 LYS B 14 47.189 66.335 6.284 1.00 0.00 H ATOM 1029 H LYS B 14 53.738 64.813 9.399 1.00 0.00 H ATOM 1030 N ILE B 15 51.367 62.507 11.509 1.00 20.22 N ATOM 1031 CA ILE B 15 51.133 61.067 11.472 1.00 20.64 C ATOM 1032 C ILE B 15 49.973 60.747 12.401 1.00 22.61 C ATOM 1033 O ILE B 15 49.897 61.260 13.522 1.00 21.83 O ATOM 1034 CB ILE B 15 52.388 60.264 11.876 1.00 19.24 C ATOM 1035 CG1 ILE B 15 52.044 58.767 11.945 1.00 28.88 C ATOM 1036 CG2 ILE B 15 52.929 60.774 13.204 1.00 23.37 C ATOM 1037 CD1 ILE B 15 53.193 57.870 12.285 1.00 35.00 C ATOM 1038 H ILE B 15 51.183 63.019 12.395 1.00 0.00 H ATOM 1039 N GLY B 16 49.085 59.872 11.938 1.00 27.32 N ATOM 1040 CA GLY B 16 47.936 59.481 12.735 1.00 29.70 C ATOM 1041 C GLY B 16 47.071 60.643 13.161 1.00 23.56 C ATOM 1042 O GLY B 16 46.445 60.587 14.225 1.00 30.59 O ATOM 1043 H GLY B 16 49.215 59.462 10.991 1.00 0.00 H ATOM 1044 N GLY B 17 47.023 61.703 12.357 1.00 19.85 N ATOM 1045 CA GLY B 17 46.274 62.889 12.712 1.00 25.38 C ATOM 1046 C GLY B 17 46.908 63.749 13.780 1.00 30.55 C ATOM 1047 O GLY B 17 46.232 64.627 14.324 1.00 24.33 O ATOM 1048 H GLY B 17 47.536 61.678 11.453 1.00 0.00 H ATOM 1049 N GLN B 18 48.183 63.529 14.099 1.00 33.20 N ATOM 1050 CA GLN B 18 48.895 64.312 15.099 1.00 26.55 C ATOM 1051 C GLN B 18 50.125 64.960 14.479 1.00 27.58 C ATOM 1052 O GLN B 18 50.769 64.385 13.596 1.00 20.51 O ATOM 1053 CB GLN B 18 49.328 63.443 16.287 1.00 31.14 C ATOM 1054 CG GLN B 18 48.191 62.950 17.164 1.00 39.42 C ATOM 1055 CD GLN B 18 48.691 62.227 18.403 1.00 46.80 C ATOM 1056 OE1 GLN B 18 49.556 61.353 18.321 1.00 45.20 O ATOM 1057 NE2 GLN B 18 48.158 62.600 19.561 1.00 41.68 N ATOM 1058 HE22 GLN B 18 47.430 63.342 19.583 1.00 0.00 H ATOM 1059 HE21 GLN B 18 48.469 62.150 20.445 1.00 0.00 H ATOM 1060 H GLN B 18 48.692 62.764 13.612 1.00 0.00 H ATOM 1061 N LEU B 19 50.445 66.165 14.951 1.00 16.72 N ATOM 1062 CA LEU B 19 51.672 66.845 14.562 1.00 18.77 C ATOM 1063 C LEU B 19 52.759 66.562 15.591 1.00 23.89 C ATOM 1064 O LEU B 19 52.506 66.570 16.799 1.00 22.52 O ATOM 1065 CB LEU B 19 51.451 68.356 14.433 1.00 22.35 C ATOM 1066 CG LEU B 19 50.406 68.846 13.423 1.00 21.48 C ATOM 1067 CD1 LEU B 19 50.439 70.371 13.329 1.00 25.01 C ATOM 1068 CD2 LEU B 19 50.611 68.229 12.048 1.00 21.11 C ATOM 1069 H LEU B 19 49.798 66.633 15.617 1.00 0.00 H ATOM 1070 N LYS B 20 53.970 66.302 15.103 1.00 19.09 N ATOM 1071 CA LYS B 20 55.098 65.975 15.963 1.00 14.60 C ATOM 1072 C LYS B 20 56.366 66.558 15.360 1.00 19.43 C ATOM 1073 O LYS B 20 56.417 66.897 14.175 1.00 22.12 O ATOM 1074 CB LYS B 20 55.251 64.460 16.137 1.00 13.48 C ATOM 1075 CG LYS B 20 54.041 63.773 16.744 1.00 25.89 C ATOM 1076 CD LYS B 20 54.243 62.273 16.801 1.00 29.37 C ATOM 1077 CE LYS B 20 53.100 61.583 17.526 1.00 37.67 C ATOM 1078 NZ LYS B 20 53.028 61.981 18.956 1.00 45.07 N ATOM 1079 HZ1 LYS B 20 53.917 61.725 19.431 1.00 0.00 H ATOM 1080 HZ2 LYS B 20 52.882 63.009 19.022 1.00 0.00 H ATOM 1081 HZ3 LYS B 20 52.235 61.487 19.412 1.00 0.00 H ATOM 1082 H LYS B 20 54.115 66.334 14.074 1.00 0.00 H ATOM 1083 N GLU B 21 57.394 66.672 16.197 1.00 16.66 N ATOM 1084 CA GLU B 21 58.731 67.041 15.756 1.00 24.06 C ATOM 1085 C GLU B 21 59.580 65.783 15.633 1.00 13.80 C ATOM 1086 O GLU B 21 59.537 64.909 16.504 1.00 14.16 O ATOM 1087 CB GLU B 21 59.388 68.018 16.736 1.00 21.22 C ATOM 1088 CG GLU B 21 58.652 69.340 16.901 1.00 27.26 C ATOM 1089 CD GLU B 21 58.555 70.126 15.606 1.00 25.78 C ATOM 1090 OE1 GLU B 21 57.469 70.123 14.989 1.00 34.72 O ATOM 1091 OE2 GLU B 21 59.565 70.740 15.201 1.00 30.44 O ATOM 1092 H GLU B 21 57.236 66.490 17.209 1.00 0.00 H ATOM 1093 N ALA B 22 60.356 65.697 14.553 1.00 11.99 N ATOM 1094 CA ALA B 22 61.151 64.505 14.292 1.00 14.33 C ATOM 1095 C ALA B 22 62.470 64.883 13.635 1.00 15.66 C ATOM 1096 O ALA B 22 62.586 65.918 12.972 1.00 15.23 O ATOM 1097 CB ALA B 22 60.404 63.505 13.399 1.00 13.04 C ATOM 1098 H ALA B 22 60.394 66.494 13.886 1.00 0.00 H ATOM 1099 N LEU B 23 63.451 64.006 13.821 1.00 13.13 N ATOM 1100 CA LEU B 23 64.781 64.156 13.249 1.00 16.33 C ATOM 1101 C LEU B 23 64.815 63.574 11.841 1.00 16.44 C ATOM 1102 O LEU B 23 64.354 62.450 11.617 1.00 22.81 O ATOM 1103 CB LEU B 23 65.798 63.415 14.120 1.00 16.57 C ATOM 1104 CG LEU B 23 67.093 64.029 14.633 1.00 20.00 C ATOM 1105 CD1 LEU B 23 66.896 65.438 15.140 1.00 24.02 C ATOM 1106 CD2 LEU B 23 67.633 63.129 15.754 1.00 28.18 C ATOM 1107 H LEU B 23 63.258 63.168 14.406 1.00 0.00 H ATOM 1108 N LEU B 24 65.370 64.330 10.896 1.00 12.98 N ATOM 1109 CA LEU B 24 65.742 63.775 9.597 1.00 15.56 C ATOM 1110 C LEU B 24 67.081 63.067 9.764 1.00 18.57 C ATOM 1111 O LEU B 24 68.123 63.719 9.887 1.00 15.22 O ATOM 1112 CB LEU B 24 65.826 64.870 8.537 1.00 18.83 C ATOM 1113 CG LEU B 24 64.577 65.727 8.306 1.00 14.89 C ATOM 1114 CD1 LEU B 24 64.814 66.720 7.175 1.00 23.40 C ATOM 1115 CD2 LEU B 24 63.362 64.864 8.010 1.00 17.01 C ATOM 1116 H LEU B 24 65.542 65.338 11.087 1.00 0.00 H ATOM 1117 N ASP B 25 67.063 61.734 9.772 1.00 13.30 N ATOM 1118 CA ASP B 25 68.197 60.942 10.248 1.00 12.23 C ATOM 1119 C ASP B 25 68.707 60.007 9.152 1.00 16.25 C ATOM 1120 O ASP B 25 68.163 58.916 8.947 1.00 12.34 O ATOM 1121 CB ASP B 25 67.800 60.160 11.494 1.00 11.13 C ATOM 1122 CG ASP B 25 68.989 59.534 12.185 1.00 19.12 C ATOM 1123 OD1 ASP B 25 70.098 59.592 11.611 1.00 13.38 O ATOM 1124 OD2 ASP B 25 68.825 59.003 13.303 1.00 13.57 O ATOM 1125 H ASP B 25 66.214 61.241 9.428 1.00 0.00 H ATOM 1126 N THR B 26 69.786 60.419 8.479 1.00 12.50 N ATOM 1127 CA THR B 26 70.408 59.583 7.457 1.00 11.64 C ATOM 1128 C THR B 26 71.071 58.344 8.039 1.00 13.42 C ATOM 1129 O THR B 26 71.394 57.420 7.285 1.00 14.57 O ATOM 1130 CB THR B 26 71.446 60.388 6.670 1.00 12.19 C ATOM 1131 OG1 THR B 26 72.489 60.831 7.550 1.00 16.11 O ATOM 1132 CG2 THR B 26 70.800 61.588 6.010 1.00 14.41 C ATOM 1133 HG1 THR B 26 72.928 60.045 7.962 1.00 0.00 H ATOM 1134 H THR B 26 70.190 61.354 8.688 1.00 0.00 H ATOM 1135 N GLY B 27 71.298 58.305 9.349 1.00 14.05 N ATOM 1136 CA GLY B 27 71.886 57.147 9.983 1.00 13.15 C ATOM 1137 C GLY B 27 70.901 56.083 10.410 1.00 16.43 C ATOM 1138 O GLY B 27 71.310 55.063 10.971 1.00 14.28 O ATOM 1139 H GLY B 27 71.046 59.129 9.932 1.00 0.00 H ATOM 1140 N ALA B 28 69.610 56.290 10.172 1.00 15.88 N ATOM 1141 CA ALA B 28 68.572 55.327 10.517 1.00 14.08 C ATOM 1142 C ALA B 28 68.029 54.704 9.238 1.00 13.61 C ATOM 1143 O ALA B 28 67.543 55.422 8.356 1.00 14.30 O ATOM 1144 CB ALA B 28 67.447 56.002 11.305 1.00 12.38 C ATOM 1145 H ALA B 28 69.327 57.182 9.718 1.00 0.00 H ATOM 1146 N ASP B 29 68.122 53.372 9.134 1.00 14.59 N ATOM 1147 CA ASP B 29 67.482 52.674 8.020 1.00 14.96 C ATOM 1148 C ASP B 29 65.985 52.925 8.017 1.00 16.54 C ATOM 1149 O ASP B 29 65.388 53.183 6.963 1.00 13.54 O ATOM 1150 CB ASP B 29 67.721 51.162 8.099 1.00 16.45 C ATOM 1151 CG ASP B 29 69.175 50.769 7.957 1.00 22.32 C ATOM 1152 OD1 ASP B 29 69.964 51.520 7.350 1.00 18.64 O ATOM 1153 OD2 ASP B 29 69.521 49.672 8.444 1.00 20.96 O ATOM 1154 H ASP B 29 68.651 52.832 9.848 1.00 0.00 H ATOM 1155 N ASP B 30 65.362 52.835 9.188 1.00 18.10 N ATOM 1156 CA ASP B 30 63.919 52.853 9.349 1.00 15.96 C ATOM 1157 C ASP B 30 63.501 54.021 10.235 1.00 12.21 C ATOM 1158 O ASP B 30 64.325 54.681 10.875 1.00 16.74 O ATOM 1159 CB ASP B 30 63.429 51.531 9.957 1.00 17.73 C ATOM 1160 CG ASP B 30 63.874 50.317 9.159 1.00 19.65 C ATOM 1161 OD1 ASP B 30 63.667 50.300 7.928 1.00 23.95 O ATOM 1162 OD2 ASP B 30 64.434 49.382 9.766 1.00 26.85 O ATOM 1163 H ASP B 30 65.946 52.746 10.044 1.00 0.00 H ATOM 1164 N THR B 31 62.193 54.251 10.277 1.00 11.18 N ATOM 1165 CA THR B 31 61.598 55.348 11.029 1.00 11.43 C ATOM 1166 C THR B 31 61.128 54.839 12.386 1.00 15.34 C ATOM 1167 O THR B 31 60.450 53.808 12.470 1.00 15.80 O ATOM 1168 CB THR B 31 60.436 55.957 10.240 1.00 16.81 C ATOM 1169 OG1 THR B 31 60.943 56.584 9.054 1.00 19.51 O ATOM 1170 CG2 THR B 31 59.684 56.988 11.054 1.00 10.57 C ATOM 1171 HG1 THR B 31 61.404 55.908 8.496 1.00 0.00 H ATOM 1172 H THR B 31 61.562 53.616 9.747 1.00 0.00 H ATOM 1173 N VAL B 32 61.494 55.562 13.441 1.00 14.25 N ATOM 1174 CA VAL B 32 61.176 55.187 14.814 1.00 14.33 C ATOM 1175 C VAL B 32 60.485 56.374 15.468 1.00 21.57 C ATOM 1176 O VAL B 32 61.043 57.478 15.504 1.00 15.37 O ATOM 1177 CB VAL B 32 62.431 54.792 15.606 1.00 17.90 C ATOM 1178 CG1 VAL B 32 62.044 54.152 16.938 1.00 16.87 C ATOM 1179 CG2 VAL B 32 63.308 53.864 14.785 1.00 14.63 C ATOM 1180 H VAL B 32 62.033 56.437 13.279 1.00 0.00 H ATOM 1181 N LEU B 33 59.279 56.154 15.986 1.00 13.85 N ATOM 1182 CA LEU B 33 58.494 57.230 16.570 1.00 12.86 C ATOM 1183 C LEU B 33 58.155 56.923 18.019 1.00 19.32 C ATOM 1184 O LEU B 33 57.978 55.762 18.408 1.00 13.83 O ATOM 1185 CB LEU B 33 57.208 57.474 15.777 1.00 19.16 C ATOM 1186 CG LEU B 33 57.409 57.890 14.318 1.00 26.91 C ATOM 1187 CD1 LEU B 33 56.070 58.058 13.643 1.00 40.52 C ATOM 1188 CD2 LEU B 33 58.214 59.176 14.207 1.00 23.02 C ATOM 1189 H LEU B 33 58.889 55.190 15.973 1.00 0.00 H ATOM 1190 N GLU B 34 58.071 57.993 18.807 1.00 13.80 N ATOM 1191 CA GLU B 34 57.686 57.922 20.209 1.00 19.62 C ATOM 1192 C GLU B 34 56.399 57.130 20.376 1.00 22.15 C ATOM 1193 O GLU B 34 55.602 57.015 19.439 1.00 15.43 O ATOM 1194 CB GLU B 34 57.506 59.330 20.787 1.00 19.18 C ATOM 1195 CG GLU B 34 56.401 60.143 20.103 1.00 31.13 C ATOM 1196 CD GLU B 34 56.219 61.527 20.702 1.00 41.28 C ATOM 1197 OE1 GLU B 34 55.928 61.619 21.913 1.00 41.66 O ATOM 1198 OE2 GLU B 34 56.365 62.523 19.960 1.00 37.59 O ATOM 1199 H GLU B 34 58.291 58.925 18.401 1.00 0.00 H ATOM 1200 N GLU B 35 56.187 56.598 21.575 1.00 20.21 N ATOM 1201 CA GLU B 35 54.983 55.835 21.861 1.00 25.34 C ATOM 1202 C GLU B 35 53.746 56.607 21.422 1.00 25.34 C ATOM 1203 O GLU B 35 53.577 57.784 21.754 1.00 23.87 O ATOM 1204 CB GLU B 35 54.917 55.521 23.358 1.00 29.40 C ATOM 1205 CG GLU B 35 53.668 54.771 23.789 1.00 29.20 C ATOM 1206 CD GLU B 35 53.485 53.474 23.035 1.00 31.49 C ATOM 1207 OE1 GLU B 35 54.497 52.779 22.798 1.00 27.18 O ATOM 1208 OE2 GLU B 35 52.331 53.154 22.675 1.00 38.59 O ATOM 1209 H GLU B 35 56.897 56.730 22.324 1.00 0.00 H ATOM 1210 N MET B 36 52.901 55.941 20.642 1.00 21.99 N ATOM 1211 CA MET B 36 51.615 56.487 20.237 1.00 34.40 C ATOM 1212 C MET B 36 50.705 55.313 19.906 1.00 25.80 C ATOM 1213 O MET B 36 51.171 54.284 19.410 1.00 29.52 O ATOM 1214 CB MET B 36 51.755 57.437 19.039 1.00 33.19 C ATOM 1215 CG MET B 36 52.233 56.773 17.754 1.00 31.45 C ATOM 1216 SD MET B 36 52.606 57.947 16.425 1.00 32.11 S ATOM 1217 CE MET B 36 51.147 58.994 16.428 1.00 33.65 C ATOM 1218 H MET B 36 53.169 54.993 20.308 1.00 0.00 H ATOM 1219 N ASN B 37 49.414 55.466 20.199 1.00 33.74 N ATOM 1220 CA ASN B 37 48.455 54.367 20.072 1.00 38.15 C ATOM 1221 C ASN B 37 47.782 54.439 18.704 1.00 34.14 C ATOM 1222 O ASN B 37 46.637 54.873 18.556 1.00 37.22 O ATOM 1223 CB ASN B 37 47.436 54.418 21.204 1.00 28.02 C ATOM 1224 H ASN B 37 49.078 56.394 20.528 1.00 0.00 H ATOM 1225 N LEU B 38 48.516 53.986 17.682 1.00 30.23 N ATOM 1226 CA LEU B 38 47.976 53.904 16.334 1.00 23.83 C ATOM 1227 C LEU B 38 47.031 52.710 16.207 1.00 35.25 C ATOM 1228 O LEU B 38 47.236 51.679 16.850 1.00 32.59 O ATOM 1229 CB LEU B 38 49.099 53.762 15.311 1.00 24.98 C ATOM 1230 CG LEU B 38 49.973 54.982 15.018 1.00 37.19 C ATOM 1231 CD1 LEU B 38 51.130 54.586 14.106 1.00 26.18 C ATOM 1232 CD2 LEU B 38 49.158 56.107 14.391 1.00 40.39 C ATOM 1233 H LEU B 38 49.496 53.685 17.855 1.00 0.00 H ATOM 1234 N PRO B 39 45.998 52.818 15.377 1.00 29.49 N ATOM 1235 CA PRO B 39 45.127 51.668 15.124 1.00 41.01 C ATOM 1236 C PRO B 39 45.763 50.699 14.136 1.00 34.40 C ATOM 1237 O PRO B 39 46.739 51.009 13.451 1.00 28.17 O ATOM 1238 CB PRO B 39 43.860 52.303 14.542 1.00 39.03 C ATOM 1239 CG PRO B 39 44.350 53.537 13.862 1.00 38.88 C ATOM 1240 CD PRO B 39 45.546 54.020 14.651 1.00 39.83 C ATOM 1241 N GLY B 40 45.191 49.502 14.082 1.00 32.40 N ATOM 1242 CA GLY B 40 45.604 48.491 13.133 1.00 31.80 C ATOM 1243 C GLY B 40 46.560 47.482 13.746 1.00 26.56 C ATOM 1244 O GLY B 40 47.029 47.616 14.879 1.00 32.03 O ATOM 1245 H GLY B 40 44.420 49.284 14.745 1.00 0.00 H ATOM 1246 N ARG B 41 46.849 46.452 12.958 1.00 24.77 N ATOM 1247 CA ARG B 41 47.740 45.391 13.389 1.00 33.20 C ATOM 1248 C ARG B 41 49.192 45.861 13.357 1.00 32.59 C ATOM 1249 O ARG B 41 49.548 46.842 12.697 1.00 24.25 O ATOM 1250 CB ARG B 41 47.569 44.157 12.504 1.00 33.30 C ATOM 1251 H ARG B 41 46.426 46.405 12.009 1.00 0.00 H ATOM 1252 N TRP B 42 50.035 45.139 14.089 1.00 24.48 N ATOM 1253 CA TRP B 42 51.453 45.449 14.166 1.00 25.10 C ATOM 1254 C TRP B 42 52.211 44.171 14.485 1.00 31.34 C ATOM 1255 O TRP B 42 51.626 43.172 14.914 1.00 18.58 O ATOM 1256 CB TRP B 42 51.728 46.517 15.228 1.00 19.07 C ATOM 1257 CG TRP B 42 51.164 46.161 16.566 1.00 26.41 C ATOM 1258 CD1 TRP B 42 49.908 46.436 17.026 1.00 33.02 C ATOM 1259 CD2 TRP B 42 51.830 45.450 17.616 1.00 31.13 C ATOM 1260 NE1 TRP B 42 49.753 45.943 18.299 1.00 27.38 N ATOM 1261 CE2 TRP B 42 50.918 45.333 18.684 1.00 36.13 C ATOM 1262 CE3 TRP B 42 53.109 44.901 17.758 1.00 29.89 C ATOM 1263 CZ2 TRP B 42 51.246 44.697 19.880 1.00 31.60 C ATOM 1264 CZ3 TRP B 42 53.432 44.269 18.946 1.00 29.74 C ATOM 1265 CH2 TRP B 42 52.504 44.172 19.990 1.00 26.22 C ATOM 1266 HE1 TRP B 42 48.892 46.020 18.876 1.00 0.00 H ATOM 1267 H TRP B 42 49.668 44.326 14.624 1.00 0.00 H ATOM 1268 N LYS B 43 53.526 44.213 14.274 1.00 25.01 N ATOM 1269 CA LYS B 43 54.392 43.084 14.556 1.00 23.46 C ATOM 1270 C LYS B 43 55.520 43.503 15.497 1.00 20.03 C ATOM 1271 O LYS B 43 56.092 44.583 15.321 1.00 17.66 O ATOM 1272 CB LYS B 43 54.987 42.518 13.256 1.00 23.36 C ATOM 1273 H LYS B 43 53.946 45.085 13.894 1.00 0.00 H ATOM 1274 N PRO B 44 55.861 42.689 16.498 1.00 17.81 N ATOM 1275 CA PRO B 44 56.943 43.072 17.415 1.00 19.45 C ATOM 1276 C PRO B 44 58.302 43.068 16.734 1.00 15.49 C ATOM 1277 O PRO B 44 58.583 42.251 15.852 1.00 15.95 O ATOM 1278 CB PRO B 44 56.880 42.003 18.516 1.00 27.52 C ATOM 1279 CG PRO B 44 55.581 41.308 18.335 1.00 18.86 C ATOM 1280 CD PRO B 44 55.250 41.406 16.888 1.00 23.70 C ATOM 1281 N LYS B 45 59.164 43.983 17.178 1.00 17.85 N ATOM 1282 CA LYS B 45 60.515 44.093 16.647 1.00 13.24 C ATOM 1283 C LYS B 45 61.434 44.640 17.731 1.00 16.30 C ATOM 1284 O LYS B 45 60.985 45.314 18.662 1.00 16.91 O ATOM 1285 CB LYS B 45 60.545 44.997 15.404 1.00 13.95 C ATOM 1286 CG LYS B 45 61.861 45.004 14.630 1.00 23.33 C ATOM 1287 CD LYS B 45 61.751 45.883 13.389 1.00 22.00 C ATOM 1288 CE LYS B 45 63.057 45.944 12.609 1.00 32.26 C ATOM 1289 NZ LYS B 45 63.441 44.617 12.058 1.00 41.89 N ATOM 1290 HZ1 LYS B 45 63.560 43.940 12.839 1.00 0.00 H ATOM 1291 HZ2 LYS B 45 62.695 44.280 11.416 1.00 0.00 H ATOM 1292 HZ3 LYS B 45 64.336 44.706 11.535 1.00 0.00 H ATOM 1293 H LYS B 45 58.862 44.638 17.927 1.00 0.00 H ATOM 1294 N MET B 46 62.725 44.332 17.612 1.00 17.21 N ATOM 1295 CA MET B 46 63.751 44.885 18.488 1.00 12.50 C ATOM 1296 C MET B 46 64.811 45.555 17.625 1.00 18.79 C ATOM 1297 O MET B 46 65.244 44.992 16.612 1.00 19.68 O ATOM 1298 CB MET B 46 64.361 43.803 19.388 1.00 14.89 C ATOM 1299 CG MET B 46 63.624 43.655 20.725 1.00 20.16 C ATOM 1300 SD MET B 46 64.123 42.259 21.744 1.00 45.39 S ATOM 1301 CE MET B 46 65.478 42.985 22.672 1.00 25.79 C ATOM 1302 H MET B 46 63.013 43.670 16.863 1.00 0.00 H ATOM 1303 N ILE B 47 65.198 46.770 18.005 1.00 13.23 N ATOM 1304 CA ILE B 47 66.126 47.580 17.226 1.00 13.72 C ATOM 1305 C ILE B 47 67.234 48.045 18.153 1.00 13.67 C ATOM 1306 O ILE B 47 66.989 48.341 19.329 1.00 11.46 O ATOM 1307 CB ILE B 47 65.412 48.772 16.553 1.00 18.33 C ATOM 1308 CG1 ILE B 47 64.877 49.758 17.599 1.00 18.67 C ATOM 1309 CG2 ILE B 47 64.277 48.252 15.677 1.00 24.65 C ATOM 1310 CD1 ILE B 47 64.346 51.042 17.013 1.00 18.09 C ATOM 1311 H ILE B 47 64.823 47.158 18.894 1.00 0.00 H ATOM 1312 N GLY B 48 68.450 48.087 17.631 1.00 16.03 N ATOM 1313 CA GLY B 48 69.636 48.286 18.446 1.00 17.74 C ATOM 1314 C GLY B 48 70.415 49.515 18.024 1.00 14.16 C ATOM 1315 O GLY B 48 70.521 49.819 16.835 1.00 11.72 O ATOM 1316 H GLY B 48 68.560 47.974 16.603 1.00 0.00 H ATOM 1317 N GLY B 49 70.962 50.210 19.010 1.00 15.38 N ATOM 1318 CA GLY B 49 71.819 51.342 18.748 1.00 19.88 C ATOM 1319 C GLY B 49 72.786 51.537 19.891 1.00 14.17 C ATOM 1320 O GLY B 49 73.082 50.593 20.631 1.00 12.86 O ATOM 1321 H GLY B 49 70.770 49.934 19.994 1.00 0.00 H ATOM 1322 N ILE B 50 73.282 52.763 20.049 1.00 15.17 N ATOM 1323 CA ILE B 50 74.125 53.076 21.191 1.00 13.18 C ATOM 1324 C ILE B 50 73.328 52.840 22.463 1.00 18.44 C ATOM 1325 O ILE B 50 72.205 53.338 22.613 1.00 16.81 O ATOM 1326 CB ILE B 50 74.641 54.520 21.089 1.00 15.68 C ATOM 1327 CG1 ILE B 50 75.718 54.600 20.003 1.00 18.23 C ATOM 1328 CG2 ILE B 50 75.169 55.011 22.441 1.00 14.71 C ATOM 1329 CD1 ILE B 50 76.184 56.010 19.684 1.00 18.64 C ATOM 1330 H ILE B 50 73.065 53.502 19.350 1.00 0.00 H ATOM 1331 N GLY B 51 73.896 52.053 23.375 1.00 17.03 N ATOM 1332 CA GLY B 51 73.249 51.711 24.621 1.00 20.30 C ATOM 1333 C GLY B 51 72.553 50.365 24.623 1.00 23.48 C ATOM 1334 O GLY B 51 72.351 49.790 25.700 1.00 21.25 O ATOM 1335 H GLY B 51 74.843 51.669 23.183 1.00 0.00 H ATOM 1336 N GLY B 52 72.177 49.849 23.456 1.00 17.07 N ATOM 1337 CA GLY B 52 71.504 48.566 23.388 1.00 21.61 C ATOM 1338 C GLY B 52 70.227 48.600 22.577 1.00 20.50 C ATOM 1339 O GLY B 52 70.062 49.453 21.698 1.00 14.67 O ATOM 1340 H GLY B 52 72.369 50.374 22.579 1.00 0.00 H ATOM 1341 N PHE B 53 69.303 47.694 22.884 1.00 19.98 N ATOM 1342 CA PHE B 53 68.096 47.501 22.095 1.00 13.86 C ATOM 1343 C PHE B 53 66.869 48.009 22.837 1.00 14.54 C ATOM 1344 O PHE B 53 66.831 48.036 24.072 1.00 14.71 O ATOM 1345 CB PHE B 53 67.903 46.020 21.745 1.00 16.27 C ATOM 1346 CG PHE B 53 68.843 45.526 20.686 1.00 11.32 C ATOM 1347 CD1 PHE B 53 70.166 45.271 20.990 1.00 20.00 C ATOM 1348 CD2 PHE B 53 68.408 45.328 19.384 1.00 12.56 C ATOM 1349 CE1 PHE B 53 71.039 44.820 20.021 1.00 10.93 C ATOM 1350 CE2 PHE B 53 69.280 44.881 18.409 1.00 17.43 C ATOM 1351 CZ PHE B 53 70.600 44.628 18.730 1.00 15.68 C ATOM 1352 H PHE B 53 69.450 47.098 23.724 1.00 0.00 H ATOM 1353 N ILE B 54 65.864 48.416 22.065 1.00 14.12 N ATOM 1354 CA ILE B 54 64.540 48.704 22.596 1.00 12.86 C ATOM 1355 C ILE B 54 63.519 47.904 21.798 1.00 17.17 C ATOM 1356 O ILE B 54 63.735 47.572 20.627 1.00 13.66 O ATOM 1357 CB ILE B 54 64.208 50.215 22.570 1.00 18.18 C ATOM 1358 CG1 ILE B 54 64.287 50.774 21.148 1.00 21.26 C ATOM 1359 CG2 ILE B 54 65.154 50.975 23.491 1.00 25.77 C ATOM 1360 CD1 ILE B 54 63.680 52.151 21.007 1.00 25.59 C ATOM 1361 H ILE B 54 66.031 48.532 21.045 1.00 0.00 H ATOM 1362 N LYS B 55 62.410 47.572 22.453 1.00 12.45 N ATOM 1363 CA LYS B 55 61.301 46.875 21.814 1.00 13.07 C ATOM 1364 C LYS B 55 60.357 47.886 21.179 1.00 13.63 C ATOM 1365 O LYS B 55 59.985 48.881 21.813 1.00 19.53 O ATOM 1366 CB LYS B 55 60.550 46.019 22.835 1.00 18.92 C ATOM 1367 H LYS B 55 62.331 47.819 23.460 1.00 0.00 H ATOM 1368 N VAL B 56 59.968 47.629 19.928 1.00 14.89 N ATOM 1369 CA VAL B 56 59.101 48.526 19.176 1.00 13.71 C ATOM 1370 C VAL B 56 58.003 47.714 18.496 1.00 17.05 C ATOM 1371 O VAL B 56 58.076 46.490 18.382 1.00 13.45 O ATOM 1372 CB VAL B 56 59.879 49.352 18.127 1.00 17.00 C ATOM 1373 CG1 VAL B 56 60.890 50.269 18.805 1.00 19.20 C ATOM 1374 CG2 VAL B 56 60.578 48.440 17.133 1.00 15.64 C ATOM 1375 H VAL B 56 60.297 46.754 19.472 1.00 0.00 H ATOM 1376 N ARG B 57 56.980 48.427 18.032 1.00 14.17 N ATOM 1377 CA ARG B 57 55.870 47.844 17.290 1.00 16.25 C ATOM 1378 C ARG B 57 55.953 48.328 15.849 1.00 15.21 C ATOM 1379 O ARG B 57 55.998 49.538 15.600 1.00 18.89 O ATOM 1380 CB ARG B 57 54.530 48.227 17.919 1.00 17.25 C ATOM 1381 CG ARG B 57 54.435 47.890 19.400 1.00 17.66 C ATOM 1382 CD ARG B 57 53.007 48.019 19.926 1.00 28.97 C ATOM 1383 NE ARG B 57 52.439 49.352 19.722 1.00 21.84 N ATOM 1384 CZ ARG B 57 52.710 50.412 20.481 1.00 24.76 C ATOM 1385 NH1 ARG B 57 52.138 51.578 20.217 1.00 26.20 N ATOM 1386 NH2 ARG B 57 53.554 50.312 21.499 1.00 33.73 N ATOM 1387 HE ARG B 57 51.778 49.480 18.929 1.00 0.00 H ATOM 1388 HH12 ARG B 57 52.349 52.407 20.809 1.00 0.00 H ATOM 1389 HH11 ARG B 57 51.478 51.664 19.418 1.00 0.00 H ATOM 1390 HH22 ARG B 57 53.760 51.145 22.087 1.00 0.00 H ATOM 1391 HH21 ARG B 57 54.009 49.401 21.709 1.00 0.00 H ATOM 1392 H ARG B 57 56.972 49.452 18.208 1.00 0.00 H ATOM 1393 N GLN B 58 55.983 47.389 14.908 1.00 13.45 N ATOM 1394 CA GLN B 58 56.139 47.713 13.496 1.00 18.63 C ATOM 1395 C GLN B 58 54.770 47.840 12.842 1.00 26.32 C ATOM 1396 O GLN B 58 54.014 46.864 12.773 1.00 20.17 O ATOM 1397 CB GLN B 58 56.965 46.649 12.776 1.00 17.31 C ATOM 1398 CG GLN B 58 57.075 46.875 11.275 1.00 22.52 C ATOM 1399 CD GLN B 58 57.808 45.756 10.571 1.00 29.70 C ATOM 1400 OE1 GLN B 58 58.664 45.099 11.157 1.00 24.32 O ATOM 1401 NE2 GLN B 58 57.470 45.529 9.305 1.00 25.84 N ATOM 1402 HE22 GLN B 58 56.739 46.112 8.850 1.00 0.00 H ATOM 1403 HE21 GLN B 58 57.937 44.769 8.770 1.00 0.00 H ATOM 1404 H GLN B 58 55.892 46.392 15.189 1.00 0.00 H ATOM 1405 N TYR B 59 54.468 49.038 12.351 1.00 13.84 N ATOM 1406 CA TYR B 59 53.271 49.305 11.565 1.00 20.39 C ATOM 1407 C TYR B 59 53.671 49.536 10.114 1.00 28.31 C ATOM 1408 O TYR B 59 54.668 50.210 9.838 1.00 19.83 O ATOM 1409 CB TYR B 59 52.524 50.533 12.089 1.00 20.11 C ATOM 1410 CG TYR B 59 51.952 50.386 13.479 1.00 19.90 C ATOM 1411 CD1 TYR B 59 52.723 50.655 14.599 1.00 17.88 C ATOM 1412 CD2 TYR B 59 50.630 50.000 13.669 1.00 27.74 C ATOM 1413 CE1 TYR B 59 52.205 50.531 15.870 1.00 22.72 C ATOM 1414 CE2 TYR B 59 50.101 49.874 14.936 1.00 21.56 C ATOM 1415 CZ TYR B 59 50.892 50.141 16.033 1.00 30.41 C ATOM 1416 OH TYR B 59 50.372 50.018 17.297 1.00 29.93 O ATOM 1417 HH TYR B 59 51.069 50.245 17.963 1.00 0.00 H ATOM 1418 H TYR B 59 55.121 49.826 12.538 1.00 0.00 H ATOM 1419 N ASP B 60 52.893 48.979 9.189 1.00 20.74 N ATOM 1420 CA ASP B 60 53.196 49.057 7.768 1.00 19.55 C ATOM 1421 C ASP B 60 52.197 49.962 7.057 1.00 22.98 C ATOM 1422 O ASP B 60 51.054 50.123 7.495 1.00 23.25 O ATOM 1423 CB ASP B 60 53.186 47.663 7.130 1.00 29.83 C ATOM 1424 CG ASP B 60 54.223 46.734 7.740 1.00 40.12 C ATOM 1425 OD1 ASP B 60 55.384 47.163 7.919 1.00 31.35 O ATOM 1426 OD2 ASP B 60 53.875 45.576 8.050 1.00 31.23 O ATOM 1427 H ASP B 60 52.038 48.470 9.493 1.00 0.00 H ATOM 1428 N GLN B 61 52.651 50.564 5.958 1.00 26.67 N ATOM 1429 CA GLN B 61 51.815 51.417 5.109 1.00 36.61 C ATOM 1430 C GLN B 61 51.139 52.523 5.914 1.00 24.70 C ATOM 1431 O GLN B 61 49.927 52.740 5.832 1.00 27.29 O ATOM 1432 CB GLN B 61 50.780 50.580 4.356 1.00 29.19 C ATOM 1433 CG GLN B 61 51.391 49.663 3.312 1.00 32.42 C ATOM 1434 CD GLN B 61 52.161 50.429 2.252 1.00 49.34 C ATOM 1435 OE1 GLN B 61 53.387 50.528 2.308 1.00 49.98 O ATOM 1436 NE2 GLN B 61 51.441 50.983 1.284 1.00 55.44 N ATOM 1437 HE22 GLN B 61 50.407 50.873 1.277 1.00 0.00 H ATOM 1438 HE21 GLN B 61 51.911 51.527 0.533 1.00 0.00 H ATOM 1439 H GLN B 61 53.646 50.422 5.690 1.00 0.00 H ATOM 1440 N ILE B 62 51.941 53.243 6.691 1.00 21.84 N ATOM 1441 CA ILE B 62 51.460 54.359 7.496 1.00 26.64 C ATOM 1442 C ILE B 62 51.696 55.643 6.714 1.00 29.00 C ATOM 1443 O ILE B 62 52.788 55.857 6.174 1.00 21.37 O ATOM 1444 CB ILE B 62 52.162 54.403 8.865 1.00 27.58 C ATOM 1445 CG1 ILE B 62 51.869 53.123 9.662 1.00 21.69 C ATOM 1446 CG2 ILE B 62 51.742 55.635 9.661 1.00 26.46 C ATOM 1447 CD1 ILE B 62 50.395 52.840 9.903 1.00 26.27 C ATOM 1448 H ILE B 62 52.952 53.001 6.726 1.00 0.00 H ATOM 1449 N LEU B 63 50.673 56.493 6.652 1.00 22.09 N ATOM 1450 CA LEU B 63 50.786 57.781 5.980 1.00 27.57 C ATOM 1451 C LEU B 63 51.476 58.779 6.898 1.00 27.74 C ATOM 1452 O LEU B 63 51.167 58.859 8.091 1.00 24.43 O ATOM 1453 CB LEU B 63 49.402 58.297 5.581 1.00 25.50 C ATOM 1454 H LEU B 63 49.769 56.231 7.095 1.00 0.00 H ATOM 1455 N ILE B 64 52.411 59.542 6.345 1.00 25.24 N ATOM 1456 CA ILE B 64 53.176 60.494 7.140 1.00 22.30 C ATOM 1457 C ILE B 64 53.600 61.644 6.244 1.00 35.35 C ATOM 1458 O ILE B 64 54.142 61.430 5.155 1.00 37.05 O ATOM 1459 CB ILE B 64 54.398 59.829 7.804 1.00 30.38 C ATOM 1460 CG1 ILE B 64 55.274 60.880 8.487 1.00 33.53 C ATOM 1461 CG2 ILE B 64 55.199 59.048 6.778 1.00 34.97 C ATOM 1462 CD1 ILE B 64 56.043 60.342 9.676 1.00 43.45 C ATOM 1463 H ILE B 64 52.601 59.459 5.326 1.00 0.00 H ATOM 1464 N GLU B 65 53.350 62.864 6.704 1.00 20.77 N ATOM 1465 CA GLU B 65 53.696 64.066 5.966 1.00 22.29 C ATOM 1466 C GLU B 65 54.869 64.746 6.655 1.00 23.91 C ATOM 1467 O GLU B 65 54.834 64.976 7.868 1.00 20.65 O ATOM 1468 CB GLU B 65 52.502 65.015 5.876 1.00 21.38 C ATOM 1469 CG GLU B 65 52.674 66.118 4.857 1.00 25.69 C ATOM 1470 CD GLU B 65 51.430 66.969 4.728 1.00 27.45 C ATOM 1471 OE1 GLU B 65 50.407 66.445 4.244 1.00 21.53 O ATOM 1472 OE2 GLU B 65 51.472 68.149 5.129 1.00 22.75 O ATOM 1473 H GLU B 65 52.888 62.963 7.630 1.00 0.00 H ATOM 1474 N ILE B 66 55.900 65.061 5.878 1.00 19.79 N ATOM 1475 CA ILE B 66 57.151 65.616 6.384 1.00 19.53 C ATOM 1476 C ILE B 66 57.394 66.922 5.634 1.00 22.89 C ATOM 1477 O ILE B 66 57.743 66.903 4.447 1.00 24.12 O ATOM 1478 CB ILE B 66 58.324 64.641 6.194 1.00 24.26 C ATOM 1479 CG1 ILE B 66 58.023 63.302 6.874 1.00 29.39 C ATOM 1480 CG2 ILE B 66 59.621 65.226 6.747 1.00 26.95 C ATOM 1481 CD1 ILE B 66 58.846 62.147 6.345 1.00 30.56 C ATOM 1482 H ILE B 66 55.810 64.903 4.854 1.00 0.00 H ATOM 1483 N CYS B 67 57.198 68.053 6.316 1.00 35.37 N ATOM 1484 CA CYS B 67 57.375 69.377 5.708 1.00 30.23 C ATOM 1485 C CYS B 67 56.505 69.540 4.467 1.00 29.71 C ATOM 1486 O CYS B 67 56.948 70.060 3.440 1.00 38.18 O ATOM 1487 CB CYS B 67 58.841 69.641 5.355 1.00 52.82 C ATOM 1488 SG CYS B 67 59.916 69.935 6.760 1.00 50.54 S ATOM 1489 H CYS B 67 56.910 67.994 7.313 1.00 0.00 H ATOM 1490 N GLY B 68 55.256 69.093 4.556 1.00 29.39 N ATOM 1491 CA GLY B 68 54.358 69.147 3.424 1.00 35.48 C ATOM 1492 C GLY B 68 54.605 68.104 2.355 1.00 29.13 C ATOM 1493 O GLY B 68 53.843 68.052 1.382 1.00 33.86 O ATOM 1494 H GLY B 68 54.919 68.697 5.457 1.00 0.00 H ATOM 1495 N HIS B 69 55.640 67.279 2.495 1.00 26.69 N ATOM 1496 CA HIS B 69 55.906 66.198 1.553 1.00 21.93 C ATOM 1497 C HIS B 69 55.270 64.916 2.078 1.00 31.84 C ATOM 1498 O HIS B 69 55.561 64.488 3.201 1.00 24.98 O ATOM 1499 CB HIS B 69 57.409 66.005 1.353 1.00 32.61 C ATOM 1500 CG HIS B 69 58.083 67.158 0.674 1.00 28.36 C ATOM 1501 ND1 HIS B 69 58.494 67.108 -0.640 1.00 24.41 N ATOM 1502 CD2 HIS B 69 58.420 68.388 1.128 1.00 30.39 C ATOM 1503 CE1 HIS B 69 59.056 68.259 -0.967 1.00 39.82 C ATOM 1504 NE2 HIS B 69 59.021 69.054 0.087 1.00 30.34 N ATOM 1505 H HIS B 69 56.281 67.410 3.304 1.00 0.00 H ATOM 1506 N LYS B 70 54.411 64.304 1.269 1.00 26.40 N ATOM 1507 CA LYS B 70 53.706 63.104 1.693 1.00 27.42 C ATOM 1508 C LYS B 70 54.561 61.870 1.441 1.00 20.39 C ATOM 1509 O LYS B 70 55.280 61.783 0.442 1.00 22.54 O ATOM 1510 CB LYS B 70 52.368 62.980 0.962 1.00 24.37 C ATOM 1511 CG LYS B 70 51.368 64.070 1.334 1.00 29.36 C ATOM 1512 CD LYS B 70 50.005 63.837 0.695 1.00 30.08 C ATOM 1513 CE LYS B 70 49.006 64.915 1.091 1.00 29.53 C ATOM 1514 NZ LYS B 70 49.464 66.275 0.701 1.00 53.18 N ATOM 1515 HZ1 LYS B 70 50.368 66.483 1.171 1.00 0.00 H ATOM 1516 HZ2 LYS B 70 49.591 66.314 -0.330 1.00 0.00 H ATOM 1517 HZ3 LYS B 70 48.752 66.976 0.991 1.00 0.00 H ATOM 1518 H LYS B 70 54.240 64.689 0.318 1.00 0.00 H ATOM 1519 N ALA B 71 54.486 60.919 2.368 1.00 22.21 N ATOM 1520 CA ALA B 71 55.178 59.648 2.240 1.00 24.14 C ATOM 1521 C ALA B 71 54.309 58.564 2.862 1.00 24.94 C ATOM 1522 O ALA B 71 53.341 58.845 3.575 1.00 30.31 O ATOM 1523 CB ALA B 71 56.564 59.685 2.899 1.00 28.99 C ATOM 1524 H ALA B 71 53.910 61.092 3.217 1.00 0.00 H ATOM 1525 N ILE B 72 54.658 57.315 2.573 1.00 20.69 N ATOM 1526 CA ILE B 72 53.927 56.166 3.097 1.00 20.75 C ATOM 1527 C ILE B 72 54.903 55.006 3.223 1.00 22.62 C ATOM 1528 O ILE B 72 55.614 54.672 2.271 1.00 19.69 O ATOM 1529 CB ILE B 72 52.725 55.793 2.203 1.00 23.36 C ATOM 1530 CG1 ILE B 72 52.036 54.530 2.731 1.00 28.58 C ATOM 1531 CG2 ILE B 72 53.167 55.610 0.758 1.00 32.47 C ATOM 1532 CD1 ILE B 72 50.689 54.253 2.097 1.00 39.36 C ATOM 1533 H ILE B 72 55.478 57.151 1.954 1.00 0.00 H ATOM 1534 N GLY B 73 54.945 54.399 4.400 1.00 25.06 N ATOM 1535 CA GLY B 73 55.868 53.306 4.624 1.00 27.95 C ATOM 1536 C GLY B 73 55.764 52.778 6.034 1.00 19.09 C ATOM 1537 O GLY B 73 54.787 53.033 6.741 1.00 21.00 O ATOM 1538 H GLY B 73 54.313 54.709 5.166 1.00 0.00 H ATOM 1539 N THR B 74 56.796 52.045 6.440 1.00 16.56 N ATOM 1540 CA THR B 74 56.815 51.411 7.748 1.00 22.03 C ATOM 1541 C THR B 74 57.270 52.396 8.816 1.00 17.33 C ATOM 1542 O THR B 74 58.187 53.195 8.599 1.00 18.18 O ATOM 1543 CB THR B 74 57.743 50.194 7.729 1.00 27.21 C ATOM 1544 OG1 THR B 74 57.280 49.259 6.748 1.00 19.86 O ATOM 1545 CG2 THR B 74 57.781 49.505 9.089 1.00 21.52 C ATOM 1546 HG1 THR B 74 56.361 48.971 6.976 1.00 0.00 H ATOM 1547 H THR B 74 57.611 51.922 5.806 1.00 0.00 H ATOM 1548 N VAL B 75 56.624 52.336 9.977 1.00 19.00 N ATOM 1549 CA VAL B 75 57.017 53.132 11.132 1.00 13.93 C ATOM 1550 C VAL B 75 57.064 52.225 12.352 1.00 19.81 C ATOM 1551 O VAL B 75 56.171 51.395 12.562 1.00 18.62 O ATOM 1552 CB VAL B 75 56.064 54.321 11.369 1.00 25.38 C ATOM 1553 CG1 VAL B 75 56.020 55.205 10.136 1.00 23.16 C ATOM 1554 CG2 VAL B 75 54.671 53.833 11.731 1.00 30.50 C ATOM 1555 H VAL B 75 55.808 51.697 10.063 1.00 0.00 H ATOM 1556 N LEU B 76 58.118 52.377 13.142 1.00 13.53 N ATOM 1557 CA LEU B 76 58.311 51.606 14.359 1.00 12.72 C ATOM 1558 C LEU B 76 57.991 52.499 15.549 1.00 20.45 C ATOM 1559 O LEU B 76 58.517 53.612 15.653 1.00 19.11 O ATOM 1560 CB LEU B 76 59.745 51.084 14.451 1.00 13.39 C ATOM 1561 CG LEU B 76 60.296 50.407 13.191 1.00 12.47 C ATOM 1562 CD1 LEU B 76 61.772 50.090 13.351 1.00 16.50 C ATOM 1563 CD2 LEU B 76 59.513 49.141 12.853 1.00 17.11 C ATOM 1564 H LEU B 76 58.839 53.079 12.879 1.00 0.00 H ATOM 1565 N VAL B 77 57.124 52.018 16.432 1.00 15.56 N ATOM 1566 CA VAL B 77 56.652 52.785 17.579 1.00 13.82 C ATOM 1567 C VAL B 77 57.166 52.122 18.847 1.00 15.43 C ATOM 1568 O VAL B 77 57.003 50.910 19.033 1.00 12.93 O ATOM 1569 CB VAL B 77 55.116 52.886 17.587 1.00 20.43 C ATOM 1570 CG1 VAL B 77 54.622 53.651 18.816 1.00 22.12 C ATOM 1571 CG2 VAL B 77 54.626 53.551 16.307 1.00 20.15 C ATOM 1572 H VAL B 77 56.765 51.051 16.300 1.00 0.00 H ATOM 1573 N GLY B 78 57.786 52.915 19.715 1.00 15.40 N ATOM 1574 CA GLY B 78 58.318 52.414 20.957 1.00 14.71 C ATOM 1575 C GLY B 78 58.915 53.513 21.809 1.00 19.27 C ATOM 1576 O GLY B 78 58.842 54.702 21.477 1.00 20.63 O ATOM 1577 H GLY B 78 57.890 53.925 19.492 1.00 0.00 H ATOM 1578 N PRO B 79 59.523 53.132 22.930 1.00 20.04 N ATOM 1579 CA PRO B 79 60.074 54.112 23.880 1.00 24.17 C ATOM 1580 C PRO B 79 61.381 54.734 23.393 1.00 21.47 C ATOM 1581 O PRO B 79 62.422 54.662 24.049 1.00 19.68 O ATOM 1582 CB PRO B 79 60.258 53.267 25.147 1.00 18.62 C ATOM 1583 CG PRO B 79 60.548 51.904 24.633 1.00 21.32 C ATOM 1584 CD PRO B 79 59.703 51.745 23.403 1.00 21.17 C ATOM 1585 N THR B 80 61.327 55.359 22.219 1.00 17.87 N ATOM 1586 CA THR B 80 62.488 56.093 21.739 1.00 20.17 C ATOM 1587 C THR B 80 62.496 57.496 22.345 1.00 15.34 C ATOM 1588 O THR B 80 61.438 58.109 22.507 1.00 16.21 O ATOM 1589 CB THR B 80 62.493 56.189 20.212 1.00 18.79 C ATOM 1590 OG1 THR B 80 63.598 57.000 19.790 1.00 18.35 O ATOM 1591 CG2 THR B 80 61.186 56.805 19.683 1.00 14.70 C ATOM 1592 HG1 THR B 80 63.508 57.906 20.179 1.00 0.00 H ATOM 1593 H THR B 80 60.459 55.323 21.647 1.00 0.00 H ATOM 1594 N PRO B 81 63.670 58.026 22.695 1.00 20.06 N ATOM 1595 CA PRO B 81 63.711 59.379 23.269 1.00 27.97 C ATOM 1596 C PRO B 81 63.419 60.477 22.262 1.00 26.46 C ATOM 1597 O PRO B 81 63.132 61.608 22.670 1.00 22.52 O ATOM 1598 CB PRO B 81 65.142 59.486 23.815 1.00 25.94 C ATOM 1599 CG PRO B 81 65.935 58.547 22.981 1.00 23.19 C ATOM 1600 CD PRO B 81 65.009 57.414 22.619 1.00 19.44 C ATOM 1601 N VAL B 82 63.477 60.189 20.963 1.00 21.16 N ATOM 1602 CA VAL B 82 63.254 61.203 19.942 1.00 18.19 C ATOM 1603 C VAL B 82 62.618 60.539 18.733 1.00 13.67 C ATOM 1604 O VAL B 82 62.848 59.358 18.458 1.00 19.69 O ATOM 1605 CB VAL B 82 64.567 61.919 19.540 1.00 29.29 C ATOM 1606 CG1 VAL B 82 65.221 62.582 20.750 1.00 39.36 C ATOM 1607 CG2 VAL B 82 65.528 60.943 18.881 1.00 23.78 C ATOM 1608 H VAL B 82 63.687 59.214 20.670 1.00 0.00 H ATOM 1609 N ASN B 83 61.811 61.308 18.011 1.00 13.87 N ATOM 1610 CA ASN B 83 61.234 60.827 16.764 1.00 16.20 C ATOM 1611 C ASN B 83 62.285 60.896 15.663 1.00 21.19 C ATOM 1612 O ASN B 83 62.951 61.924 15.486 1.00 15.26 O ATOM 1613 CB ASN B 83 60.003 61.646 16.388 1.00 20.27 C ATOM 1614 CG ASN B 83 58.865 61.482 17.381 1.00 25.61 C ATOM 1615 OD1 ASN B 83 58.553 60.374 17.817 1.00 25.85 O ATOM 1616 ND2 ASN B 83 58.240 62.592 17.741 1.00 17.63 N ATOM 1617 HD22 ASN B 83 58.537 63.507 17.347 1.00 0.00 H ATOM 1618 HD21 ASN B 83 57.452 62.549 18.418 1.00 0.00 H ATOM 1619 H ASN B 83 61.588 62.268 18.342 1.00 0.00 H ATOM 1620 N ILE B 84 62.430 59.797 14.930 1.00 14.78 N ATOM 1621 CA ILE B 84 63.503 59.603 13.962 1.00 12.46 C ATOM 1622 C ILE B 84 62.878 59.281 12.613 1.00 14.91 C ATOM 1623 O ILE B 84 62.231 58.237 12.461 1.00 12.25 O ATOM 1624 CB ILE B 84 64.449 58.473 14.400 1.00 19.62 C ATOM 1625 CG1 ILE B 84 65.180 58.861 15.687 1.00 19.23 C ATOM 1626 CG2 ILE B 84 65.444 58.120 13.285 1.00 12.85 C ATOM 1627 CD1 ILE B 84 65.849 57.700 16.375 1.00 22.76 C ATOM 1628 H ILE B 84 61.738 59.031 15.054 1.00 0.00 H ATOM 1629 N ILE B 85 63.089 60.155 11.632 1.00 12.11 N ATOM 1630 CA ILE B 85 62.709 59.870 10.252 1.00 12.22 C ATOM 1631 C ILE B 85 63.895 59.218 9.554 1.00 18.08 C ATOM 1632 O ILE B 85 64.954 59.836 9.388 1.00 17.21 O ATOM 1633 CB ILE B 85 62.268 61.139 9.511 1.00 14.00 C ATOM 1634 CG1 ILE B 85 61.145 61.845 10.271 1.00 14.34 C ATOM 1635 CG2 ILE B 85 61.829 60.793 8.092 1.00 11.18 C ATOM 1636 CD1 ILE B 85 59.890 61.017 10.476 1.00 21.18 C ATOM 1637 H ILE B 85 63.537 61.067 11.855 1.00 0.00 H ATOM 1638 N GLY B 86 63.705 57.973 9.120 1.00 13.41 N ATOM 1639 CA GLY B 86 64.762 57.192 8.525 1.00 11.23 C ATOM 1640 C GLY B 86 64.724 57.202 7.004 1.00 11.35 C ATOM 1641 O GLY B 86 63.864 57.801 6.365 1.00 14.95 O ATOM 1642 H GLY B 86 62.760 57.549 9.214 1.00 0.00 H ATOM 1643 N ARG B 87 65.692 56.487 6.430 1.00 15.07 N ATOM 1644 CA ARG B 87 65.886 56.506 4.985 1.00 14.79 C ATOM 1645 C ARG B 87 64.682 55.960 4.229 1.00 16.72 C ATOM 1646 O ARG B 87 64.451 56.353 3.079 1.00 16.85 O ATOM 1647 CB ARG B 87 67.136 55.711 4.619 1.00 13.03 C ATOM 1648 CG ARG B 87 68.425 56.365 5.079 1.00 22.21 C ATOM 1649 CD ARG B 87 69.644 55.660 4.510 1.00 16.11 C ATOM 1650 NE ARG B 87 69.730 54.277 4.968 1.00 16.20 N ATOM 1651 CZ ARG B 87 69.419 53.203 4.243 1.00 19.18 C ATOM 1652 NH1 ARG B 87 68.996 53.311 2.989 1.00 13.99 N ATOM 1653 NH2 ARG B 87 69.538 51.999 4.783 1.00 20.12 N ATOM 1654 HE ARG B 87 70.061 54.116 5.941 1.00 0.00 H ATOM 1655 HH12 ARG B 87 68.760 52.457 2.445 1.00 0.00 H ATOM 1656 HH11 ARG B 87 68.901 54.250 2.551 1.00 0.00 H ATOM 1657 HH22 ARG B 87 69.298 51.154 4.227 1.00 0.00 H ATOM 1658 HH21 ARG B 87 69.871 51.899 5.763 1.00 0.00 H ATOM 1659 H ARG B 87 66.319 55.906 7.023 1.00 0.00 H ATOM 1660 N ASN B 88 63.912 55.052 4.837 1.00 16.14 N ATOM 1661 CA ASN B 88 62.754 54.501 4.138 1.00 17.44 C ATOM 1662 C ASN B 88 61.759 55.591 3.763 1.00 19.12 C ATOM 1663 O ASN B 88 61.043 55.457 2.765 1.00 20.23 O ATOM 1664 CB ASN B 88 62.075 53.417 4.986 1.00 21.65 C ATOM 1665 CG ASN B 88 61.420 53.965 6.237 1.00 19.53 C ATOM 1666 OD1 ASN B 88 62.022 54.735 6.990 1.00 17.35 O ATOM 1667 ND2 ASN B 88 60.173 53.564 6.470 1.00 23.11 N ATOM 1668 HD22 ASN B 88 59.704 52.914 5.808 1.00 0.00 H ATOM 1669 HD21 ASN B 88 59.668 53.901 7.314 1.00 0.00 H ATOM 1670 H ASN B 88 64.136 54.739 5.803 1.00 0.00 H ATOM 1671 N LEU B 89 61.702 56.675 4.535 1.00 16.83 N ATOM 1672 CA LEU B 89 60.845 57.806 4.204 1.00 12.18 C ATOM 1673 C LEU B 89 61.607 58.982 3.611 1.00 18.50 C ATOM 1674 O LEU B 89 61.036 59.733 2.812 1.00 19.42 O ATOM 1675 CB LEU B 89 60.092 58.285 5.451 1.00 15.58 C ATOM 1676 CG LEU B 89 59.226 57.239 6.156 1.00 18.66 C ATOM 1677 CD1 LEU B 89 58.589 57.853 7.383 1.00 21.11 C ATOM 1678 CD2 LEU B 89 58.168 56.670 5.229 1.00 15.10 C ATOM 1679 H LEU B 89 62.284 56.715 5.396 1.00 0.00 H ATOM 1680 N LEU B 90 62.878 59.162 3.978 1.00 13.53 N ATOM 1681 CA LEU B 90 63.644 60.285 3.446 1.00 12.00 C ATOM 1682 C LEU B 90 63.781 60.190 1.932 1.00 18.17 C ATOM 1683 O LEU B 90 63.768 61.212 1.235 1.00 17.43 O ATOM 1684 CB LEU B 90 65.027 60.342 4.096 1.00 17.29 C ATOM 1685 CG LEU B 90 65.114 60.693 5.583 1.00 10.89 C ATOM 1686 CD1 LEU B 90 66.552 60.534 6.069 1.00 14.64 C ATOM 1687 CD2 LEU B 90 64.634 62.103 5.838 1.00 15.43 C ATOM 1688 H LEU B 90 63.324 58.500 4.645 1.00 0.00 H ATOM 1689 N THR B 91 63.938 58.972 1.407 1.00 12.76 N ATOM 1690 CA THR B 91 63.994 58.793 -0.043 1.00 19.15 C ATOM 1691 C THR B 91 62.690 59.222 -0.702 1.00 31.76 C ATOM 1692 O THR B 91 62.695 59.758 -1.816 1.00 29.26 O ATOM 1693 CB THR B 91 64.294 57.335 -0.392 1.00 20.95 C ATOM 1694 OG1 THR B 91 63.324 56.481 0.226 1.00 26.11 O ATOM 1695 CG2 THR B 91 65.680 56.942 0.069 1.00 23.51 C ATOM 1696 HG1 THR B 91 63.361 56.598 1.208 1.00 0.00 H ATOM 1697 H THR B 91 64.021 58.146 2.033 1.00 0.00 H ATOM 1698 N GLN B 92 61.560 58.985 -0.033 1.00 26.29 N ATOM 1699 CA GLN B 92 60.266 59.299 -0.624 1.00 21.43 C ATOM 1700 C GLN B 92 60.028 60.797 -0.739 1.00 26.82 C ATOM 1701 O GLN B 92 59.224 61.220 -1.577 1.00 26.34 O ATOM 1702 CB GLN B 92 59.148 58.655 0.194 1.00 23.55 C ATOM 1703 CG GLN B 92 59.260 57.145 0.280 1.00 22.30 C ATOM 1704 CD GLN B 92 58.050 56.509 0.928 1.00 22.99 C ATOM 1705 OE1 GLN B 92 56.939 57.026 0.833 1.00 28.29 O ATOM 1706 NE2 GLN B 92 58.260 55.382 1.598 1.00 30.08 N ATOM 1707 HE22 GLN B 92 59.218 54.980 1.652 1.00 0.00 H ATOM 1708 HE21 GLN B 92 57.467 54.901 2.069 1.00 0.00 H ATOM 1709 H GLN B 92 61.604 58.572 0.920 1.00 0.00 H ATOM 1710 N ILE B 93 60.699 61.608 0.077 1.00 26.61 N ATOM 1711 CA ILE B 93 60.574 63.056 -0.018 1.00 19.22 C ATOM 1712 C ILE B 93 61.714 63.670 -0.825 1.00 19.47 C ATOM 1713 O ILE B 93 61.814 64.897 -0.912 1.00 27.88 O ATOM 1714 CB ILE B 93 60.469 63.693 1.377 1.00 25.46 C ATOM 1715 CG1 ILE B 93 61.756 63.479 2.179 1.00 22.42 C ATOM 1716 CG2 ILE B 93 59.263 63.105 2.118 1.00 20.74 C ATOM 1717 CD1 ILE B 93 61.802 64.248 3.481 1.00 27.13 C ATOM 1718 H ILE B 93 61.326 61.198 0.798 1.00 0.00 H ATOM 1719 N GLY B 94 62.566 62.845 -1.429 1.00 26.07 N ATOM 1720 CA GLY B 94 63.639 63.346 -2.269 1.00 30.28 C ATOM 1721 C GLY B 94 64.803 63.952 -1.517 1.00 34.70 C ATOM 1722 O GLY B 94 65.457 64.865 -2.034 1.00 22.38 O ATOM 1723 H GLY B 94 62.461 61.819 -1.296 1.00 0.00 H ATOM 1724 N CYS B 95 65.088 63.460 -0.314 1.00 22.55 N ATOM 1725 CA CYS B 95 66.127 64.020 0.536 1.00 22.24 C ATOM 1726 C CYS B 95 67.488 63.439 0.177 1.00 24.55 C ATOM 1727 O CYS B 95 67.628 62.230 -0.036 1.00 24.35 O ATOM 1728 CB CYS B 95 65.811 63.746 2.008 1.00 23.72 C ATOM 1729 SG CYS B 95 66.909 64.576 3.195 1.00 23.44 S ATOM 1730 H CYS B 95 64.546 62.643 0.032 1.00 0.00 H ATOM 1731 N THR B 96 68.490 64.315 0.115 1.00 19.70 N ATOM 1732 CA THR B 96 69.859 63.922 -0.180 1.00 20.35 C ATOM 1733 C THR B 96 70.810 64.625 0.779 1.00 18.16 C ATOM 1734 O THR B 96 70.484 65.659 1.366 1.00 18.22 O ATOM 1735 CB THR B 96 70.255 64.268 -1.624 1.00 24.55 C ATOM 1736 OG1 THR B 96 70.045 65.667 -1.859 1.00 22.77 O ATOM 1737 CG2 THR B 96 69.439 63.455 -2.620 1.00 27.07 C ATOM 1738 HG1 THR B 96 69.089 65.884 -1.719 1.00 0.00 H ATOM 1739 H THR B 96 68.285 65.320 0.284 1.00 0.00 H ATOM 1740 N LEU B 97 71.995 64.038 0.935 1.00 17.15 N ATOM 1741 CA LEU B 97 73.128 64.712 1.553 1.00 24.02 C ATOM 1742 C LEU B 97 73.992 65.343 0.470 1.00 21.25 C ATOM 1743 O LEU B 97 74.145 64.785 -0.621 1.00 27.27 O ATOM 1744 CB LEU B 97 73.971 63.734 2.373 1.00 21.64 C ATOM 1745 CG LEU B 97 73.359 63.195 3.662 1.00 19.55 C ATOM 1746 CD1 LEU B 97 74.171 62.008 4.159 1.00 24.11 C ATOM 1747 CD2 LEU B 97 73.305 64.284 4.720 1.00 23.69 C ATOM 1748 H LEU B 97 72.116 63.060 0.602 1.00 0.00 H ATOM 1749 N ASN B 98 74.561 66.507 0.776 1.00 19.72 N ATOM 1750 CA ASN B 98 75.357 67.248 -0.193 1.00 20.47 C ATOM 1751 C ASN B 98 76.527 67.916 0.508 1.00 21.46 C ATOM 1752 O ASN B 98 76.340 68.579 1.533 1.00 23.38 O ATOM 1753 CB ASN B 98 74.508 68.305 -0.908 1.00 20.75 C ATOM 1754 CG ASN B 98 73.290 67.712 -1.587 1.00 30.52 C ATOM 1755 OD1 ASN B 98 72.279 67.428 -0.941 1.00 24.09 O ATOM 1756 ND2 ASN B 98 73.379 67.524 -2.897 1.00 28.89 N ATOM 1757 HD22 ASN B 98 74.253 67.779 -3.401 1.00 0.00 H ATOM 1758 HD21 ASN B 98 72.575 67.122 -3.420 1.00 0.00 H ATOM 1759 H ASN B 98 74.434 66.897 1.732 1.00 0.00 H ATOM 1760 N PHE B 99 77.724 67.743 -0.048 1.00 24.89 N ATOM 1761 CA PHE B 99 78.903 68.472 0.407 1.00 27.92 C ATOM 1762 C PHE B 99 79.975 68.487 -0.680 1.00 35.54 C ATOM 1763 O PHE B 99 80.905 69.294 -0.642 1.00 26.67 O ATOM 1764 CB PHE B 99 79.463 67.869 1.703 1.00 26.72 C ATOM 1765 CG PHE B 99 79.897 66.436 1.587 1.00 24.59 C ATOM 1766 CD1 PHE B 99 79.004 65.406 1.833 1.00 29.16 C ATOM 1767 CD2 PHE B 99 81.208 66.117 1.270 1.00 23.92 C ATOM 1768 CE1 PHE B 99 79.407 64.085 1.740 1.00 26.24 C ATOM 1769 CE2 PHE B 99 81.614 64.801 1.178 1.00 37.48 C ATOM 1770 CZ PHE B 99 80.714 63.784 1.414 1.00 31.54 C ATOM 1771 OXT PHE B 99 79.934 67.700 -1.626 1.00 31.98 O ATOM 1772 H PHE B 99 77.822 67.067 -0.832 1.00 0.00 H TER 1773 PHE B 99 HETATM 1774 O HOH 1 81.921 70.719 0.907 1.00 33.10 O HETATM 1775 O HOH 2 61.293 71.386 16.708 1.00 37.54 O HETATM 1776 O HOH 3 63.554 53.301 25.742 1.00 23.20 O HETATM 1777 O HOH 4 56.697 62.974 -1.233 1.00 26.22 O HETATM 1778 O HOH 5 60.389 52.139 9.278 1.00 20.98 O HETATM 1779 O HOH 6 58.016 65.099 -2.110 1.00 31.33 O HETATM 1780 O HOH 7 55.097 72.972 13.031 1.00 33.76 O HETATM 1781 O HOH 8 54.833 59.323 23.350 1.00 39.01 O HETATM 1782 O HOH 9 61.566 66.727 -2.669 1.00 28.39 O HETATM 1783 O HOH 10 69.596 75.327 8.058 1.00 24.89 O HETATM 1784 O HOH 11 69.510 71.406 11.391 1.00 18.77 O HETATM 1785 O HOH 12 67.841 66.420 -2.995 1.00 29.78 O HETATM 1786 O HOH 13 47.067 49.093 17.046 1.00 38.26 O HETATM 1787 O HOH 14 48.905 58.604 9.347 1.00 25.77 O HETATM 1788 O HOH 15 47.946 67.248 4.536 1.00 37.62 O HETATM 1789 O HOH 16 50.389 52.500 24.343 1.00 47.72 O HETATM 1790 O HOH 17 64.661 65.603 -4.462 1.00 18.64 O HETATM 1791 O HOH 18 71.834 74.497 11.361 1.00 19.56 O HETATM 1792 O HOH 19 67.409 59.961 -1.440 1.00 19.83 O HETATM 1793 O HOH 20 71.822 49.867 28.332 1.00 41.37 O HETATM 1794 O HOH 21 60.448 53.280 1.298 1.00 32.19 O HETATM 1795 O HOH 22 67.327 44.369 15.023 1.00 31.84 O HETATM 1796 O HOH 23 66.795 71.968 15.900 1.00 20.52 O HETATM 1797 O HOH 24 43.761 63.967 15.207 1.00 18.52 O HETATM 1798 O HOH 25 44.468 61.371 15.914 1.00 22.81 O HETATM 1799 O HOH 26 57.420 48.751 22.784 1.00 30.58 O HETATM 1800 O HOH 27 58.101 39.652 15.102 1.00 26.27 O HETATM 1801 O HOH 28 61.158 45.384 10.037 1.00 27.86 O HETATM 1802 O HOH 29 58.603 43.246 8.244 1.00 39.37 O HETATM 1803 O HOH 30 65.069 48.382 6.498 1.00 40.65 O HETATM 1804 O HOH 31 71.517 54.635 7.128 1.00 15.51 O HETATM 1805 O HOH 32 50.754 65.554 18.732 1.00 30.31 O HETATM 1806 O HOH 33 61.469 63.996 18.717 1.00 26.24 O HETATM 1807 O HOH 34 65.851 66.487 19.949 1.00 31.79 O HETATM 1808 O HOH 35 65.110 60.491 -3.039 1.00 29.63 O HETATM 1809 O HOH 36 71.797 52.723 9.109 1.00 27.27 O HETATM 1810 O HOH 37 51.000 47.056 9.982 1.00 32.71 O HETATM 1811 O HOH 38 58.813 51.752 4.499 1.00 21.48 O HETATM 1812 O HOH 39 50.015 62.107 7.536 1.00 33.65 O HETATM 1813 O HOH 40 59.420 72.357 12.521 1.00 39.82 O HETATM 1814 O HOH 41 55.113 49.731 4.853 1.00 28.02 O HETATM 1815 O HOH 42 62.386 48.183 25.211 1.00 20.10 O HETATM 1816 O HOH 43 65.749 51.739 4.560 1.00 27.59 O HETATM 1817 O HOH 44 68.008 49.097 26.415 1.00 29.33 O HETATM 1818 O HOH 45 55.021 69.799 16.370 1.00 30.60 O HETATM 1819 O HOH 46 59.672 71.810 0.101 1.00 30.35 O HETATM 1820 O HOH 47 67.172 51.189 2.501 1.00 30.90 O HETATM 1821 O HOH 48 48.707 67.401 16.835 1.00 30.76 O HETATM 1822 O HOH 49 47.692 51.306 6.859 1.00 43.15 O HETATM 1823 O HOH 50 62.055 73.090 12.645 1.00 42.25 O HETATM 1824 O HOH 51 59.031 71.706 9.871 1.00 25.95 O HETATM 1825 O HOH 52 58.854 57.243 23.435 1.00 27.02 O HETATM 1826 O HOH 53 46.369 66.983 15.991 1.00 31.19 O HETATM 1827 O HOH 54 76.028 50.220 22.689 1.00 20.35 O HETATM 1828 O HOH 55 45.581 46.610 10.338 1.00 33.62 O HETATM 1829 O HOH 56 69.067 49.693 3.035 1.00 39.39 O HETATM 1830 O HOH 57 69.496 46.185 25.399 1.00 37.71 O HETATM 1831 O HOH 58 65.377 71.572 10.268 1.00 23.11 O HETATM 1832 O HOH 59 77.309 72.903 16.010 1.00 30.09 O HETATM 1833 O HOH 60 68.682 47.058 14.846 1.00 18.91 O HETATM 1834 O HOH 61 57.142 66.269 19.149 1.00 30.23 O HETATM 1835 O HOH 62 70.116 52.228 11.049 1.00 26.85 O HETATM 1836 O HOH 63 48.740 43.170 15.934 1.00 29.51 O HETATM 1837 O HOH 64 70.023 71.213 18.369 1.00 30.01 O HETATM 1838 O HOH 65 47.334 61.677 9.207 1.00 38.22 O HETATM 1839 O HOH 66 61.179 59.548 -4.600 1.00 43.48 O HETATM 1840 O HOH 67 75.884 68.647 -4.549 1.00 33.46 O HETATM 1841 O HOH 68 48.898 57.861 22.282 1.00 35.46 O HETATM 1842 O HOH 69 59.366 62.144 21.269 1.00 44.33 O HETATM 1843 O HOH 70 55.093 47.571 22.531 1.00 44.99 O HETATM 1844 O HOH 71 67.964 63.445 23.239 1.00 48.72 O HETATM 1845 O HOH 72 66.077 75.444 6.928 1.00 50.10 O HETATM 1846 O HOH 73 53.912 68.367 7.661 1.00 38.17 O HETATM 1847 O HOH 74 67.313 72.764 11.613 1.00 23.27 O HETATM 1848 O HOH 75 50.304 50.386 23.375 1.00 43.26 O HETATM 1849 O HOH 76 58.477 51.947 2.329 1.00 38.10 O HETATM 1850 O HOH 77 59.672 61.265 23.434 1.00 49.05 O HETATM 1851 O HOH 78 67.550 48.965 4.771 1.00 38.90 O HETATM 1852 O HOH 79 44.719 45.177 16.294 1.00 46.72 O HETATM 1853 O HOH 80 54.440 69.227 18.443 1.00 45.17 O HETATM 1854 O HOH 81 61.362 47.512 8.804 1.00 40.20 O HETATM 1855 O HOH 82 47.424 69.966 9.034 1.00 39.21 O HETATM 1856 O HOH 83 69.554 47.942 5.092 1.00 52.19 O HETATM 1857 O HOH 84 68.559 75.095 10.486 1.00 33.85 O HETATM 1858 O HOH 85 69.195 66.444 24.464 1.00 53.90 O HETATM 1859 O HOH 86 59.879 64.386 20.785 1.00 37.38 O HETATM 1860 O HOH 87 47.778 43.875 21.005 1.00 37.87 O HETATM 1861 O HOH 88 76.701 71.270 -1.481 1.00 37.51 O HETATM 1862 O HOH 89 76.750 77.518 6.397 1.00 28.80 O HETATM 1863 O HOH 90 66.413 68.688 20.546 1.00 28.91 O HETATM 1864 O HOH 91 54.909 46.918 3.406 1.00 51.74 O HETATM 1865 O HOH 92 71.109 50.076 12.197 1.00 24.78 O HETATM 1866 O HOH 93 71.829 46.233 15.283 1.00 36.89 O HETATM 1867 O HOH 94 74.536 77.860 4.533 1.00 35.15 O HETATM 1868 O HOH 95 59.889 57.598 -3.948 1.00 37.49 O HETATM 1869 O HOH 96 61.578 72.810 9.064 1.00 43.24 O HETATM 1870 O HOH 97 53.469 70.055 8.847 1.00 53.80 O HETATM 1871 O HOH 98 68.159 71.465 18.975 1.00 44.01 O HETATM 1872 O HOH 99 63.697 73.492 8.986 1.00 32.70 O HETATM 1873 O HOH 100 71.928 73.276 18.905 1.00 38.72 O HETATM 1874 O HOH 101 73.538 47.479 14.344 1.00 42.61 O HETATM 1875 O HOH 102 61.845 68.029 19.685 1.00 42.74 O HETATM 1876 O HOH 103 63.353 66.098 19.729 1.00 29.77 O HETATM 1877 O HOH 104 91.803 50.422 13.995 1.00 40.26 O HETATM 1878 O HOH 105 73.606 56.672 0.380 1.00 19.02 O HETATM 1879 O HOH 106 81.101 66.225 19.725 1.00 38.99 O HETATM 1880 O HOH 107 86.809 70.294 5.160 1.00 29.19 O HETATM 1881 O HOH 108 78.118 54.437 0.324 1.00 39.82 O HETATM 1882 O HOH 109 71.552 55.176 19.091 1.00 12.81 O HETATM 1883 O HOH 110 77.688 67.441 21.322 1.00 35.76 O HETATM 1884 O HOH 111 78.995 68.039 19.775 1.00 45.00 O HETATM 1885 O HOH 112 89.452 71.512 15.549 1.00 19.76 O HETATM 1886 O HOH 113 94.082 61.229 12.919 1.00 20.60 O HETATM 1887 O HOH 114 68.653 72.571 -1.584 1.00 37.85 O HETATM 1888 O HOH 115 99.149 55.733 8.310 1.00 37.01 O HETATM 1889 O HOH 116 80.080 46.731 13.883 1.00 33.61 O HETATM 1890 O HOH 117 71.265 55.659 -2.699 1.00 24.33 O HETATM 1891 O HOH 118 83.341 51.581 26.951 1.00 30.40 O HETATM 1892 O HOH 119 86.081 50.285 11.954 1.00 32.27 O HETATM 1893 O HOH 120 87.892 68.742 19.338 1.00 16.01 O HETATM 1894 O HOH 121 70.474 57.083 -6.444 1.00 28.18 O HETATM 1895 O HOH 122 91.962 64.562 23.813 1.00 31.19 O HETATM 1896 O HOH 123 93.094 61.785 8.731 1.00 25.80 O HETATM 1897 O HOH 124 77.122 62.935 28.458 1.00 46.38 O HETATM 1898 O HOH 125 79.323 72.279 0.994 1.00 35.81 O HETATM 1899 O HOH 126 81.440 47.932 18.586 1.00 19.42 O HETATM 1900 O HOH 127 86.648 52.151 14.843 1.00 32.06 O HETATM 1901 O HOH 128 80.649 49.703 8.122 1.00 37.37 O HETATM 1902 O HOH 129 86.611 53.063 24.335 1.00 30.80 O HETATM 1903 O HOH 130 75.828 71.992 7.950 1.00 18.75 O HETATM 1904 O HOH 131 75.945 51.656 1.294 1.00 24.16 O HETATM 1905 O HOH 132 71.142 65.505 15.063 1.00 13.59 O HETATM 1906 O HOH 133 83.095 70.718 15.287 1.00 23.62 O HETATM 1907 O HOH 134 65.969 53.852 25.628 1.00 26.55 O HETATM 1908 O HOH 135 75.981 71.487 1.209 1.00 21.36 O HETATM 1909 O HOH 136 76.678 59.775 -4.960 1.00 34.55 O HETATM 1910 O HOH 137 70.720 64.206 17.441 1.00 15.04 O HETATM 1911 O HOH 138 74.450 61.738 25.666 1.00 26.67 O HETATM 1912 O HOH 139 84.005 48.522 19.713 1.00 17.73 O HETATM 1913 O HOH 140 73.854 51.106 29.739 1.00 21.37 O HETATM 1914 O HOH 141 80.241 62.294 30.381 1.00 31.71 O HETATM 1915 O HOH 142 89.920 64.663 25.633 1.00 37.98 O HETATM 1916 O HOH 143 92.104 66.591 8.846 1.00 26.72 O HETATM 1917 O HOH 144 81.235 50.247 11.774 1.00 20.66 O HETATM 1918 O HOH 145 75.755 70.823 17.303 1.00 36.70 O HETATM 1919 O HOH 146 91.017 72.339 4.934 1.00 35.84 O HETATM 1920 O HOH 147 82.264 63.576 18.646 1.00 14.39 O HETATM 1921 O HOH 148 87.532 52.839 -0.086 1.00 36.81 O HETATM 1922 O HOH 149 79.644 51.329 28.572 1.00 27.24 O HETATM 1923 O HOH 150 77.456 68.641 17.535 1.00 26.78 O HETATM 1924 O HOH 151 69.544 58.666 25.268 1.00 28.82 O HETATM 1925 O HOH 152 75.202 65.571 22.487 1.00 43.31 O HETATM 1926 O HOH 153 84.220 68.602 17.213 1.00 16.29 O HETATM 1927 O HOH 154 72.524 45.677 9.790 1.00 43.57 O HETATM 1928 O HOH 155 74.222 58.796 -4.389 1.00 31.38 O HETATM 1929 O HOH 156 94.866 60.984 10.779 1.00 28.23 O HETATM 1930 O HOH 157 74.049 51.058 9.684 1.00 32.14 O HETATM 1931 O HOH 158 78.894 67.514 -5.301 1.00 39.94 O HETATM 1932 O HOH 159 76.237 46.397 14.148 1.00 35.76 O HETATM 1933 O HOH 160 89.032 59.991 2.649 1.00 37.70 O HETATM 1934 O HOH 161 85.878 49.924 9.159 1.00 32.77 O HETATM 1935 O HOH 162 81.886 65.176 -5.749 1.00 55.11 O HETATM 1936 O HOH 163 72.707 70.829 18.971 1.00 48.23 O HETATM 1937 O HOH 164 82.572 49.849 9.706 1.00 32.98 O HETATM 1938 O HOH 165 92.510 53.077 25.824 1.00 44.91 O HETATM 1939 O HOH 166 66.745 70.900 -3.034 1.00 29.87 O HETATM 1940 O HOH 167 96.323 49.752 9.265 1.00 47.89 O HETATM 1941 O HOH 168 85.402 49.101 23.757 1.00 45.02 O HETATM 1942 O HOH 169 66.725 46.445 12.946 1.00 42.43 O HETATM 1943 O HOH 170 83.751 56.898 0.002 1.00 26.92 O HETATM 1944 O HOH 171 83.401 72.725 3.161 1.00 42.05 O HETATM 1945 O HOH 172 72.950 44.525 7.723 1.00 55.05 O HETATM 1946 O HOH 173 99.206 63.627 24.032 1.00 49.53 O HETATM 1947 O HOH 174 65.479 52.566 1.111 1.00 43.87 O HETATM 1948 O HOH 175 84.438 68.737 26.951 1.00 48.57 O HETATM 1949 O HOH 176 79.584 48.022 11.512 1.00 34.50 O HETATM 1950 O HOH 177 82.626 53.210 0.907 1.00 52.69 O HETATM 1951 O HOH 178 81.533 65.505 23.153 1.00 38.20 O HETATM 1952 O HOH 179 81.909 68.386 19.774 1.00 37.46 O HETATM 1953 O HOH 180 93.489 64.409 8.196 1.00 34.40 O HETATM 1954 O HOH 181 60.607 55.230 -2.688 1.00 48.11 O HETATM 1955 O HOH 182 78.945 75.038 6.355 1.00 41.29 O HETATM 1956 O HOH 183 83.843 66.271 -3.845 1.00 48.41 O HETATM 1957 O HOH 184 87.955 50.998 4.345 1.00 38.35 O HETATM 1958 O HOH 185 83.347 57.055 33.152 1.00 44.44 O HETATM 1959 O HOH 186 92.197 48.980 5.241 1.00 46.21 O HETATM 1960 O HOH 187 86.582 48.342 10.685 1.00 47.93 O HETATM 1961 O HOH 188 69.860 50.863 -4.124 1.00 40.18 O HETATM 1962 O HOH 189 67.564 68.591 -4.387 1.00 24.57 O HETATM 1963 O HOH 190 97.175 57.509 28.696 1.00 58.46 O HETATM 1964 O HOH 191 66.035 49.444 1.932 1.00 47.69 O HETATM 1965 O HOH 192 76.806 50.911 8.783 1.00 48.04 O HETATM 1966 O HOH 193 81.588 72.624 16.070 1.00 32.89 O HETATM 1967 O HOH 194 81.484 62.065 33.467 1.00 52.68 O HETATM 1968 O HOH 195 84.233 64.570 -5.206 1.00 54.59 O HETATM 1969 O HOH 196 87.140 68.481 31.339 1.00 47.48 O HETATM 1970 C13 NJ A 7 71.231 57.690 14.960 1.00 0.09 C HETATM 1971 C15 NJ A 7 70.849 58.046 16.415 1.00 0.07 C HETATM 1972 C28 NJ A 7 69.457 58.683 16.472 1.00 -0.02 C HETATM 1973 C29 NJ A 7 69.226 59.146 17.922 1.00 -0.04 C HETATM 1974 C30 NJ A 7 68.879 58.091 19.033 1.00 -0.05 C HETATM 1975 C31 NJ A 7 68.661 58.548 20.472 1.00 -0.05 C HETATM 1976 C32 NJ A 7 68.780 60.050 20.832 1.00 -0.05 C HETATM 1977 C33 NJ A 7 69.126 61.096 19.723 1.00 -0.05 C HETATM 1978 C34 NJ A 7 69.353 60.636 18.276 1.00 -0.05 C HETATM 1979 H37 NJ A 7 68.625 61.175 17.652 1.00 0.03 H HETATM 1980 H38 NJ A 7 70.372 60.944 18.000 1.00 0.03 H HETATM 1981 H35 NJ A 7 70.048 61.604 20.043 1.00 0.03 H HETATM 1982 H36 NJ A 7 68.298 61.819 19.700 1.00 0.03 H HETATM 1983 H33 NJ A 7 69.563 60.131 21.600 1.00 0.03 H HETATM 1984 H34 NJ A 7 67.813 60.351 21.261 1.00 0.03 H HETATM 1985 H31 NJ A 7 69.397 58.014 21.090 1.00 0.03 H HETATM 1986 H32 NJ A 7 67.646 58.233 20.756 1.00 0.03 H HETATM 1987 H29 NJ A 7 69.705 57.365 19.051 1.00 0.03 H HETATM 1988 H30 NJ A 7 67.954 57.587 18.716 1.00 0.03 H HETATM 1989 H28 NJ A 7 68.155 59.283 17.714 1.00 0.03 H HETATM 1990 H9 NJ A 7 68.693 57.945 16.186 1.00 0.03 H HETATM 1991 H10 NJ A 7 69.409 59.544 15.789 1.00 0.03 H HETATM 1992 N16 NJ A 7 71.783 59.009 16.892 1.00 -0.26 N HETATM 1993 C17 NJ A 7 72.768 58.693 17.953 1.00 0.32 C HETATM 1994 O18 NJ A 7 72.794 57.646 18.517 1.00 -0.38 O HETATM 1995 O19 NJ A 7 73.705 59.782 18.253 1.00 -0.26 O HETATM 1996 C20 NJ A 7 74.484 59.691 19.457 1.00 0.12 C HETATM 1997 C21 NJ A 7 75.949 60.319 19.067 1.00 0.08 C HETATM 1998 O22 NJ A 7 75.683 61.613 18.912 1.00 -0.35 O HETATM 1999 C24 NJ A 7 74.646 61.909 20.014 1.00 0.16 C HETATM 2000 C23 NJ A 7 74.050 60.489 20.401 1.00 0.04 C HETATM 2001 C25 NJ A 7 72.553 60.698 20.438 1.00 -0.02 C HETATM 2002 C26 NJ A 7 72.303 61.761 19.714 1.00 0.05 C HETATM 2003 O27 NJ A 7 73.701 62.611 19.573 1.00 -0.35 O HETATM 2004 H7 NJ A 7 71.538 62.378 20.207 1.00 0.06 H HETATM 2005 H8 NJ A 7 71.946 61.460 18.718 1.00 0.06 H HETATM 2006 H26 NJ A 7 72.038 59.822 20.017 1.00 0.03 H HETATM 2007 H27 NJ A 7 72.218 60.857 21.474 1.00 0.03 H HETATM 2008 H25 NJ A 7 74.405 60.141 21.382 1.00 0.04 H HETATM 2009 H6 NJ A 7 75.118 62.401 20.877 1.00 0.09 H HETATM 2010 H4 NJ A 7 76.333 59.879 18.135 1.00 0.06 H HETATM 2011 H5 NJ A 7 76.677 60.158 19.876 1.00 0.06 H HETATM 2012 H3 NJ A 7 74.544 58.651 19.809 1.00 0.07 H HETATM 2013 H51 NJ A 7 71.774 59.928 16.498 1.00 0.19 H HETATM 2014 H2 NJ A 7 70.874 57.142 17.040 1.00 0.06 H HETATM 2015 C12 NJ A 7 70.337 56.558 14.441 1.00 0.06 C HETATM 2016 N10 NJ A 7 70.694 55.318 15.185 1.00 -0.24 N HETATM 2017 C11 NJ A 7 71.566 54.302 14.493 1.00 0.03 C HETATM 2018 C37 NJ A 7 73.043 54.688 14.594 1.00 -0.03 C HETATM 2019 C38 NJ A 7 73.888 53.676 13.824 1.00 -0.05 C HETATM 2020 C36 NJ A 7 73.765 52.285 14.403 1.00 -0.07 C HETATM 2021 H41 NJ A 7 74.387 51.589 13.821 1.00 0.02 H HETATM 2022 H42 NJ A 7 72.715 51.961 14.360 1.00 0.02 H HETATM 2023 H43 NJ A 7 74.104 52.292 15.450 1.00 0.02 H HETATM 2024 H45 NJ A 7 73.553 53.656 12.776 1.00 0.03 H HETATM 2025 H46 NJ A 7 74.942 53.987 13.866 1.00 0.03 H HETATM 2026 C39 NJ A 7 73.487 54.764 16.065 1.00 -0.06 C HETATM 2027 H47 NJ A 7 72.865 55.498 16.598 1.00 0.02 H HETATM 2028 H48 NJ A 7 74.542 55.072 16.114 1.00 0.02 H HETATM 2029 H49 NJ A 7 73.372 53.776 16.534 1.00 0.02 H HETATM 2030 H44 NJ A 7 73.180 55.680 14.138 1.00 0.03 H HETATM 2031 H21 NJ A 7 71.418 53.320 14.965 1.00 0.05 H HETATM 2032 H22 NJ A 7 71.281 54.246 13.432 1.00 0.05 H HETATM 2033 S07 NJ A 7 69.455 54.649 16.211 1.00 0.04 S HETATM 2034 C04 NJ A 7 68.627 53.428 15.135 1.00 0.10 C HETATM 2035 C03 NJ A 7 69.060 51.976 15.230 1.00 -0.03 C HETATM 2036 C02 NJ A 7 68.397 50.934 14.315 1.00 -0.05 C HETATM 2037 C01 NJ A 7 67.306 51.397 13.316 1.00 -0.01 C HETATM 2038 C06 NJ A 7 66.882 52.851 13.212 1.00 -0.05 C HETATM 2039 C05 NJ A 7 67.552 53.900 14.126 1.00 -0.03 C HETATM 2040 H17 NJ A 7 68.028 54.644 13.470 1.00 0.03 H HETATM 2041 H18 NJ A 7 66.752 54.382 14.707 1.00 0.03 H HETATM 2042 H19 NJ A 7 65.802 52.886 13.420 1.00 0.03 H HETATM 2043 H20 NJ A 7 67.066 53.166 12.174 1.00 0.03 H HETATM 2044 C40 NJ A 7 66.666 50.351 12.407 1.00 0.08 C HETATM 2045 C35 NJ A 7 65.348 49.919 12.973 1.00 0.07 C HETATM 2046 O42 NJ A 7 64.762 49.005 12.096 1.00 -0.39 O HETATM 2047 H54 NJ A 7 64.631 49.418 11.251 1.00 0.21 H HETATM 2048 H39 NJ A 7 64.691 50.793 13.090 1.00 0.06 H HETATM 2049 H40 NJ A 7 65.504 49.444 13.953 1.00 0.06 H HETATM 2050 O41 NJ A 7 66.499 50.929 11.140 1.00 -0.39 O HETATM 2051 H53 NJ A 7 66.106 50.294 10.553 1.00 0.21 H HETATM 2052 H50 NJ A 7 67.327 49.475 12.327 1.00 0.06 H HETATM 2053 H11 NJ A 7 66.531 51.227 14.077 1.00 0.03 H HETATM 2054 H12 NJ A 7 69.199 50.468 13.723 1.00 0.03 H HETATM 2055 H13 NJ A 7 67.936 50.178 14.968 1.00 0.03 H HETATM 2056 H14 NJ A 7 70.139 51.948 15.019 1.00 0.03 H HETATM 2057 H15 NJ A 7 68.880 51.654 16.266 1.00 0.03 H HETATM 2058 H16 NJ A 7 67.849 53.257 15.893 1.00 0.06 H HETATM 2059 O08 NJ A 7 68.542 55.679 16.714 1.00 -0.15 O HETATM 2060 O09 NJ A 7 70.025 54.013 17.417 1.00 -0.15 O HETATM 2061 H23 NJ A 7 70.507 56.410 13.364 1.00 0.05 H HETATM 2062 H24 NJ A 7 69.280 56.807 14.614 1.00 0.05 H HETATM 2063 O14 NJ A 7 71.095 58.824 14.153 1.00 -0.39 O HETATM 2064 H52 NJ A 7 71.349 58.610 13.263 1.00 0.21 H HETATM 2065 H1 NJ A 7 72.279 57.356 14.935 1.00 0.06 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 881 882 887 888 889 CONECT 888 881 CONECT 889 881 CONECT 1970 1971 2015 2063 2065 CONECT 1971 1970 1972 1992 2014 CONECT 1972 1971 1973 1990 1991 CONECT 1973 1972 1974 1978 1989 CONECT 1974 1973 1975 1987 1988 CONECT 1975 1974 1976 1985 1986 CONECT 1976 1975 1977 1983 1984 CONECT 1977 1976 1978 1981 1982 CONECT 1978 1973 1977 1979 1980 CONECT 1979 1978 CONECT 1980 1978 CONECT 1981 1977 CONECT 1982 1977 CONECT 1983 1976 CONECT 1984 1976 CONECT 1985 1975 CONECT 1986 1975 CONECT 1987 1974 CONECT 1988 1974 CONECT 1989 1973 CONECT 1990 1972 CONECT 1991 1972 CONECT 1992 1971 1993 2013 CONECT 1993 1992 1994 1995 CONECT 1994 1993 CONECT 1995 1993 1996 CONECT 1996 1995 1997 2000 2012 CONECT 1997 1996 1998 2010 2011 CONECT 1998 1997 1999 CONECT 1999 1998 2000 2003 2009 CONECT 2000 1996 1999 2001 2008 CONECT 2001 2000 2002 2006 2007 CONECT 2002 2001 2003 2004 2005 CONECT 2003 1999 2002 CONECT 2004 2002 CONECT 2005 2002 CONECT 2006 2001 CONECT 2007 2001 CONECT 2008 2000 CONECT 2009 1999 CONECT 2010 1997 CONECT 2011 1997 CONECT 2012 1996 CONECT 2013 1992 CONECT 2014 1971 CONECT 2015 1970 2016 2061 2062 CONECT 2016 2015 2017 2033 CONECT 2017 2016 2018 2031 2032 CONECT 2018 2017 2019 2026 2030 CONECT 2019 2018 2020 2024 2025 CONECT 2020 2019 2021 2022 2023 CONECT 2021 2020 CONECT 2022 2020 CONECT 2023 2020 CONECT 2024 2019 CONECT 2025 2019 CONECT 2026 2018 2027 2028 2029 CONECT 2027 2026 CONECT 2028 2026 CONECT 2029 2026 CONECT 2030 2018 CONECT 2031 2017 CONECT 2032 2017 CONECT 2033 2016 2034 2059 2060 CONECT 2034 2033 2035 2039 2058 CONECT 2035 2034 2036 2056 2057 CONECT 2036 2035 2037 2054 2055 CONECT 2037 2036 2038 2044 2053 CONECT 2038 2037 2039 2042 2043 CONECT 2039 2034 2038 2040 2041 CONECT 2040 2039 CONECT 2041 2039 CONECT 2042 2038 CONECT 2043 2038 CONECT 2044 2037 2045 2050 2052 CONECT 2045 2044 2046 2048 2049 CONECT 2046 2045 2047 CONECT 2047 2046 CONECT 2048 2045 CONECT 2049 2045 CONECT 2050 2044 2051 CONECT 2051 2050 CONECT 2052 2044 CONECT 2053 2037 CONECT 2054 2036 CONECT 2055 2036 CONECT 2056 2035 CONECT 2057 2035 CONECT 2058 2034 CONECT 2059 2033 CONECT 2060 2033 CONECT 2061 2015 CONECT 2062 2015 CONECT 2063 1970 2064 CONECT 2064 2063 CONECT 2065 1970 MASTER 0 0 0 0 0 0 0 0 2063 2 102 16 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 6oy0
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%
6oxz
RCSB PDB
PDBbind
99aa, >6OXZ_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
6oy0
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
HIV-1 Protease NL4-3 WT
Ligand Name
NJ7
EC.Number
E.C.-.-.-.-
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
Ki=0.504nM
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
5
4
N
2
O
9
S
Molecular Weight
618.823
Exact Mass
618.355
No. of atoms
96
No. of bonds
99
Polar Surface Area
163.24
LOGP Value
3.78 (
Computed with XLOGP3
)
4.24 (
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)[C@@H]1CC[C@@H](CC1)[C@@H](CO)O)C[C@H]([C@@H](NC(=O)O[C@H]1CO[C@@H]2[C@H]1CCO2)CC1CCCCC1)O)C
InChI String
InChI=1S/C30H54N2O9S/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/h20-29,33-35H,3-19H2,1-2H3,(H,31,36)/t20-,22-,23+,24-,25-,26+,27+,28-,29+/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P12497
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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