Browse entries in the PDBbind-CN Database
HEADER 6OXV_COMPLEX COMPND 6OXV_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 NF A 4 86 ATOM 1 N PRO A 1 79.657 66.849 -3.084 1.00 45.53 N ATOM 2 CA PRO A 1 78.655 66.246 -3.964 1.00 45.55 C ATOM 3 C PRO A 1 77.229 66.387 -3.431 1.00 42.51 C ATOM 4 O PRO A 1 77.019 66.908 -2.334 1.00 37.35 O ATOM 5 CB PRO A 1 79.074 64.775 -4.005 1.00 51.18 C ATOM 6 CG PRO A 1 79.711 64.535 -2.681 1.00 43.43 C ATOM 7 CD PRO A 1 80.372 65.837 -2.285 1.00 44.93 C ATOM 8 HN2 PRO A 1 79.182 67.512 -2.439 1.00 0.00 H ATOM 9 HN1 PRO A 1 80.347 67.367 -3.665 1.00 0.00 H ATOM 10 N GLN A 2 76.262 65.948 -4.228 1.00 31.65 N ATOM 11 CA GLN A 2 74.891 65.770 -3.774 1.00 31.78 C ATOM 12 C GLN A 2 74.676 64.284 -3.528 1.00 35.15 C ATOM 13 O GLN A 2 75.015 63.454 -4.378 1.00 34.14 O ATOM 14 CB GLN A 2 73.883 66.307 -4.797 1.00 30.48 C ATOM 15 CG GLN A 2 72.427 65.940 -4.490 1.00 29.90 C ATOM 16 CD GLN A 2 71.419 66.793 -5.240 1.00 37.90 C ATOM 17 OE1 GLN A 2 70.785 67.667 -4.655 1.00 43.00 O ATOM 18 NE2 GLN A 2 71.260 66.537 -6.537 1.00 36.17 N ATOM 19 HE22 GLN A 2 71.819 65.787 -6.991 1.00 0.00 H ATOM 20 HE21 GLN A 2 70.577 67.087 -7.096 1.00 0.00 H ATOM 21 H GLN A 2 76.494 65.722 -5.216 1.00 0.00 H ATOM 22 N ILE A 3 74.136 63.947 -2.362 1.00 33.17 N ATOM 23 CA ILE A 3 73.995 62.559 -1.942 1.00 27.23 C ATOM 24 C ILE A 3 72.516 62.266 -1.760 1.00 28.79 C ATOM 25 O ILE A 3 71.858 62.846 -0.883 1.00 25.35 O ATOM 26 CB ILE A 3 74.782 62.273 -0.657 1.00 29.17 C ATOM 27 CG1 ILE A 3 76.276 62.520 -0.911 1.00 35.29 C ATOM 28 CG2 ILE A 3 74.523 60.841 -0.184 1.00 33.58 C ATOM 29 CD1 ILE A 3 77.169 62.302 0.305 1.00 36.57 C ATOM 30 H ILE A 3 73.802 64.700 -1.727 1.00 0.00 H ATOM 31 N THR A 4 71.992 61.377 -2.594 1.00 29.29 N ATOM 32 CA THR A 4 70.637 60.898 -2.400 1.00 21.16 C ATOM 33 C THR A 4 70.647 59.810 -1.337 1.00 21.84 C ATOM 34 O THR A 4 71.700 59.316 -0.925 1.00 21.91 O ATOM 35 CB THR A 4 70.044 60.373 -3.711 1.00 27.39 C ATOM 36 OG1 THR A 4 70.872 59.318 -4.217 1.00 25.65 O ATOM 37 CG2 THR A 4 69.922 61.506 -4.751 1.00 28.67 C ATOM 38 HG1 THR A 4 70.490 58.978 -5.064 1.00 0.00 H ATOM 39 H THR A 4 72.557 61.021 -3.392 1.00 0.00 H ATOM 40 N LEU A 5 69.453 59.431 -0.895 1.00 21.46 N ATOM 41 CA LEU A 5 69.313 58.661 0.335 1.00 24.22 C ATOM 42 C LEU A 5 68.616 57.316 0.129 1.00 26.75 C ATOM 43 O LEU A 5 68.194 56.687 1.108 1.00 23.63 O ATOM 44 CB LEU A 5 68.578 59.514 1.373 1.00 20.21 C ATOM 45 CG LEU A 5 69.397 60.741 1.775 1.00 22.02 C ATOM 46 CD1 LEU A 5 68.558 61.748 2.568 1.00 24.43 C ATOM 47 CD2 LEU A 5 70.643 60.321 2.592 1.00 20.11 C ATOM 48 H LEU A 5 68.603 59.688 -1.436 1.00 0.00 H ATOM 49 N TRP A 6 68.513 56.840 -1.122 1.00 25.35 N ATOM 50 CA TRP A 6 68.000 55.495 -1.361 1.00 30.89 C ATOM 51 C TRP A 6 68.961 54.422 -0.838 1.00 26.94 C ATOM 52 O TRP A 6 68.536 53.290 -0.568 1.00 22.33 O ATOM 53 CB TRP A 6 67.669 55.326 -2.868 1.00 30.48 C ATOM 54 CG TRP A 6 66.343 56.008 -3.249 1.00 30.03 C ATOM 55 CD1 TRP A 6 65.074 55.545 -2.985 1.00 29.81 C ATOM 56 CD2 TRP A 6 66.168 57.268 -3.928 1.00 30.35 C ATOM 57 NE1 TRP A 6 64.131 56.447 -3.442 1.00 33.09 N ATOM 58 CE2 TRP A 6 64.774 57.504 -4.029 1.00 27.98 C ATOM 59 CE3 TRP A 6 67.050 58.218 -4.450 1.00 32.06 C ATOM 60 CZ2 TRP A 6 64.248 58.641 -4.632 1.00 32.83 C ATOM 61 CZ3 TRP A 6 66.525 59.354 -5.057 1.00 38.40 C ATOM 62 CH2 TRP A 6 65.133 59.554 -5.140 1.00 41.00 C ATOM 63 HE1 TRP A 6 63.100 56.340 -3.354 1.00 0.00 H ATOM 64 H TRP A 6 68.801 57.434 -1.926 1.00 0.00 H ATOM 65 N LYS A 7 70.229 54.758 -0.634 1.00 21.56 N ATOM 66 CA LYS A 7 71.159 53.881 0.057 1.00 23.02 C ATOM 67 C LYS A 7 71.730 54.603 1.277 1.00 28.67 C ATOM 68 O LYS A 7 71.632 55.825 1.403 1.00 24.18 O ATOM 69 CB LYS A 7 72.299 53.436 -0.864 1.00 34.67 C ATOM 70 CG LYS A 7 71.827 52.795 -2.165 1.00 53.25 C ATOM 71 CD LYS A 7 72.987 52.252 -2.987 1.00 61.38 C ATOM 72 CE LYS A 7 73.403 50.857 -2.515 1.00 77.63 C ATOM 73 NZ LYS A 7 74.581 50.322 -3.266 1.00 86.71 N ATOM 74 HZ1 LYS A 7 74.347 50.261 -4.277 1.00 0.00 H ATOM 75 HZ2 LYS A 7 75.393 50.959 -3.135 1.00 0.00 H ATOM 76 HZ3 LYS A 7 74.820 49.376 -2.906 1.00 0.00 H ATOM 77 H LYS A 7 70.568 55.678 -0.980 1.00 0.00 H ATOM 78 N ARG A 8 72.335 53.838 2.181 1.00 22.29 N ATOM 79 CA ARG A 8 72.994 54.448 3.329 1.00 23.47 C ATOM 80 C ARG A 8 74.096 55.397 2.858 1.00 24.36 C ATOM 81 O ARG A 8 74.897 55.035 1.986 1.00 22.71 O ATOM 82 CB ARG A 8 73.593 53.378 4.242 1.00 23.49 C ATOM 83 CG ARG A 8 72.564 52.634 5.051 1.00 27.21 C ATOM 84 CD ARG A 8 73.165 51.443 5.752 1.00 30.48 C ATOM 85 NE ARG A 8 72.128 50.689 6.452 1.00 35.46 N ATOM 86 CZ ARG A 8 72.319 49.506 7.022 1.00 36.92 C ATOM 87 NH1 ARG A 8 73.512 48.926 6.973 1.00 44.96 N ATOM 88 NH2 ARG A 8 71.315 48.903 7.635 1.00 36.41 N ATOM 89 HE ARG A 8 71.177 51.107 6.507 1.00 0.00 H ATOM 90 HH12 ARG A 8 73.658 47.999 7.421 1.00 0.00 H ATOM 91 HH11 ARG A 8 74.300 49.399 6.487 1.00 0.00 H ATOM 92 HH22 ARG A 8 71.461 47.976 8.083 1.00 0.00 H ATOM 93 HH21 ARG A 8 70.379 49.356 7.669 1.00 0.00 H ATOM 94 H ARG A 8 72.338 52.804 2.069 1.00 0.00 H ATOM 95 N PRO A 9 74.186 56.600 3.422 1.00 21.11 N ATOM 96 CA PRO A 9 75.241 57.552 3.008 1.00 22.10 C ATOM 97 C PRO A 9 76.599 57.259 3.638 1.00 24.53 C ATOM 98 O PRO A 9 77.110 57.993 4.492 1.00 20.96 O ATOM 99 CB PRO A 9 74.662 58.892 3.458 1.00 25.07 C ATOM 100 CG PRO A 9 73.836 58.544 4.668 1.00 23.81 C ATOM 101 CD PRO A 9 73.217 57.221 4.350 1.00 23.72 C ATOM 102 N LEU A 10 77.200 56.155 3.199 1.00 22.56 N ATOM 103 CA LEU A 10 78.506 55.740 3.676 1.00 22.75 C ATOM 104 C LEU A 10 79.606 56.457 2.903 1.00 26.21 C ATOM 105 O LEU A 10 79.508 56.660 1.688 1.00 26.23 O ATOM 106 CB LEU A 10 78.670 54.221 3.527 1.00 26.73 C ATOM 107 CG LEU A 10 77.691 53.402 4.357 1.00 35.87 C ATOM 108 CD1 LEU A 10 77.670 51.938 3.902 1.00 39.32 C ATOM 109 CD2 LEU A 10 78.052 53.515 5.829 1.00 31.93 C ATOM 110 H LEU A 10 76.716 55.569 2.489 1.00 0.00 H ATOM 111 N VAL A 11 80.662 56.847 3.615 1.00 23.60 N ATOM 112 CA VAL A 11 81.829 57.459 2.996 1.00 24.62 C ATOM 113 C VAL A 11 83.081 56.853 3.601 1.00 24.90 C ATOM 114 O VAL A 11 83.073 56.323 4.712 1.00 23.56 O ATOM 115 CB VAL A 11 81.864 58.994 3.180 1.00 26.78 C ATOM 116 CG1 VAL A 11 80.647 59.623 2.550 1.00 33.27 C ATOM 117 CG2 VAL A 11 81.946 59.355 4.656 1.00 25.90 C ATOM 118 H VAL A 11 80.653 56.710 4.646 1.00 0.00 H ATOM 119 N THR A 12 84.175 56.971 2.863 1.00 26.11 N ATOM 120 CA THR A 12 85.480 56.611 3.379 1.00 28.98 C ATOM 121 C THR A 12 86.036 57.817 4.118 1.00 29.68 C ATOM 122 O THR A 12 85.971 58.952 3.621 1.00 30.12 O ATOM 123 CB THR A 12 86.408 56.165 2.245 1.00 29.45 C ATOM 124 OG1 THR A 12 85.855 55.004 1.625 1.00 33.93 O ATOM 125 CG2 THR A 12 87.796 55.809 2.764 1.00 30.55 C ATOM 126 HG1 THR A 12 86.449 54.709 0.890 1.00 0.00 H ATOM 127 H THR A 12 84.095 57.331 1.890 1.00 0.00 H ATOM 128 N ILE A 13 86.521 57.583 5.330 1.00 26.24 N ATOM 129 CA ILE A 13 87.158 58.630 6.108 1.00 26.98 C ATOM 130 C ILE A 13 88.615 58.249 6.309 1.00 28.88 C ATOM 131 O ILE A 13 89.000 57.082 6.193 1.00 25.83 O ATOM 132 CB ILE A 13 86.460 58.863 7.467 1.00 25.61 C ATOM 133 CG1 ILE A 13 86.575 57.627 8.356 1.00 29.69 C ATOM 134 CG2 ILE A 13 84.992 59.223 7.245 1.00 25.06 C ATOM 135 CD1 ILE A 13 86.061 57.821 9.757 1.00 30.67 C ATOM 136 H ILE A 13 86.443 56.627 5.732 1.00 0.00 H ATOM 137 N LYS A 14 89.429 59.250 6.617 1.00 28.81 N ATOM 138 CA LYS A 14 90.813 59.033 7.005 1.00 33.12 C ATOM 139 C LYS A 14 91.024 59.635 8.379 1.00 30.85 C ATOM 140 O LYS A 14 90.706 60.809 8.608 1.00 35.05 O ATOM 141 CB LYS A 14 91.792 59.645 6.002 1.00 40.74 C ATOM 142 CG LYS A 14 93.238 59.250 6.271 1.00 43.70 C ATOM 143 CD LYS A 14 94.178 59.817 5.220 1.00 55.86 C ATOM 144 CE LYS A 14 94.693 61.196 5.604 1.00 66.16 C ATOM 145 NZ LYS A 14 95.625 61.750 4.572 1.00 66.74 N ATOM 146 HZ1 LYS A 14 96.441 61.114 4.467 1.00 0.00 H ATOM 147 HZ2 LYS A 14 95.126 61.829 3.663 1.00 0.00 H ATOM 148 HZ3 LYS A 14 95.953 62.690 4.872 1.00 0.00 H ATOM 149 H LYS A 14 89.065 60.223 6.580 1.00 0.00 H ATOM 150 N ILE A 15 91.548 58.830 9.288 1.00 25.22 N ATOM 151 CA ILE A 15 91.766 59.256 10.661 1.00 33.05 C ATOM 152 C ILE A 15 92.920 58.444 11.216 1.00 34.23 C ATOM 153 O ILE A 15 93.040 57.245 10.946 1.00 31.73 O ATOM 154 CB ILE A 15 90.488 59.104 11.515 1.00 31.23 C ATOM 155 CG1 ILE A 15 90.743 59.658 12.918 1.00 33.76 C ATOM 156 CG2 ILE A 15 90.036 57.648 11.556 1.00 34.61 C ATOM 157 CD1 ILE A 15 89.560 59.621 13.841 1.00 36.71 C ATOM 158 H ILE A 15 91.812 57.863 9.012 1.00 0.00 H ATOM 159 N GLY A 16 93.788 59.110 11.968 1.00 37.68 N ATOM 160 CA GLY A 16 94.977 58.473 12.494 1.00 34.60 C ATOM 161 C GLY A 16 95.821 57.827 11.414 1.00 31.91 C ATOM 162 O GLY A 16 96.609 56.923 11.696 1.00 36.75 O ATOM 163 H GLY A 16 93.610 60.112 12.184 1.00 0.00 H ATOM 164 N GLY A 17 95.677 58.286 10.177 1.00 31.14 N ATOM 165 CA GLY A 17 96.428 57.742 9.069 1.00 33.89 C ATOM 166 C GLY A 17 95.829 56.514 8.421 1.00 39.65 C ATOM 167 O GLY A 17 96.391 56.021 7.435 1.00 46.61 O ATOM 168 H GLY A 17 95.004 59.059 10.000 1.00 0.00 H ATOM 169 N GLN A 18 94.716 56.000 8.938 1.00 38.03 N ATOM 170 CA GLN A 18 94.074 54.807 8.408 1.00 37.88 C ATOM 171 C GLN A 18 92.728 55.173 7.796 1.00 38.62 C ATOM 172 O GLN A 18 92.034 56.077 8.282 1.00 35.23 O ATOM 173 CB GLN A 18 93.881 53.754 9.509 1.00 35.21 C ATOM 174 H GLN A 18 94.285 56.473 9.758 1.00 0.00 H ATOM 175 N LEU A 19 92.375 54.477 6.719 1.00 27.36 N ATOM 176 CA LEU A 19 91.076 54.642 6.087 1.00 34.96 C ATOM 177 C LEU A 19 90.026 53.782 6.778 1.00 39.81 C ATOM 178 O LEU A 19 90.303 52.667 7.227 1.00 29.40 O ATOM 179 CB LEU A 19 91.139 54.257 4.607 1.00 39.21 C ATOM 180 CG LEU A 19 92.186 54.967 3.743 1.00 38.59 C ATOM 181 CD1 LEU A 19 92.033 54.568 2.266 1.00 39.35 C ATOM 182 CD2 LEU A 19 92.090 56.469 3.898 1.00 40.36 C ATOM 183 H LEU A 19 93.048 53.794 6.317 1.00 0.00 H ATOM 184 N LYS A 20 88.808 54.307 6.844 1.00 32.08 N ATOM 185 CA LYS A 20 87.681 53.579 7.408 1.00 34.17 C ATOM 186 C LYS A 20 86.430 53.982 6.658 1.00 27.67 C ATOM 187 O LYS A 20 86.415 54.975 5.922 1.00 26.63 O ATOM 188 CB LYS A 20 87.495 53.871 8.897 1.00 34.54 C ATOM 189 CG LYS A 20 88.463 53.156 9.823 1.00 43.17 C ATOM 190 CD LYS A 20 88.076 53.427 11.280 1.00 52.24 C ATOM 191 CE LYS A 20 89.044 52.792 12.261 1.00 41.83 C ATOM 192 NZ LYS A 20 89.134 51.327 12.072 1.00 52.44 N ATOM 193 HZ1 LYS A 20 88.196 50.902 12.216 1.00 0.00 H ATOM 194 HZ2 LYS A 20 89.464 51.123 11.107 1.00 0.00 H ATOM 195 HZ3 LYS A 20 89.805 50.930 12.761 1.00 0.00 H ATOM 196 H LYS A 20 88.654 55.269 6.481 1.00 0.00 H ATOM 197 N GLU A 21 85.373 53.204 6.864 1.00 29.90 N ATOM 198 CA GLU A 21 84.055 53.515 6.340 1.00 24.93 C ATOM 199 C GLU A 21 83.191 54.057 7.469 1.00 24.50 C ATOM 200 O GLU A 21 83.248 53.567 8.596 1.00 23.66 O ATOM 201 CB GLU A 21 83.400 52.282 5.725 1.00 31.72 C ATOM 202 CG GLU A 21 82.090 52.579 5.040 1.00 34.11 C ATOM 203 CD GLU A 21 81.497 51.348 4.361 1.00 46.17 C ATOM 204 OE1 GLU A 21 80.735 50.605 5.012 1.00 42.03 O ATOM 205 OE2 GLU A 21 81.805 51.126 3.178 1.00 42.76 O ATOM 206 H GLU A 21 85.495 52.336 7.424 1.00 0.00 H ATOM 207 N ALA A 22 82.398 55.078 7.167 1.00 23.96 N ATOM 208 CA ALA A 22 81.548 55.669 8.193 1.00 27.35 C ATOM 209 C ALA A 22 80.289 56.222 7.555 1.00 21.45 C ATOM 210 O ALA A 22 80.240 56.505 6.355 1.00 22.21 O ATOM 211 CB ALA A 22 82.276 56.766 8.964 1.00 21.59 C ATOM 212 H ALA A 22 82.383 55.456 6.198 1.00 0.00 H ATOM 213 N LEU A 23 79.275 56.387 8.395 1.00 18.59 N ATOM 214 CA LEU A 23 77.940 56.795 7.982 1.00 17.35 C ATOM 215 C LEU A 23 77.734 58.277 8.275 1.00 21.14 C ATOM 216 O LEU A 23 77.970 58.729 9.408 1.00 16.78 O ATOM 217 CB LEU A 23 76.908 55.947 8.733 1.00 20.06 C ATOM 218 CG LEU A 23 75.421 56.167 8.460 1.00 20.61 C ATOM 219 CD1 LEU A 23 75.113 55.710 7.055 1.00 24.27 C ATOM 220 CD2 LEU A 23 74.561 55.398 9.465 1.00 23.98 C ATOM 221 H LEU A 23 79.444 56.215 9.407 1.00 0.00 H ATOM 222 N LEU A 24 77.316 59.040 7.258 1.00 18.64 N ATOM 223 CA LEU A 24 76.965 60.441 7.471 1.00 18.58 C ATOM 224 C LEU A 24 75.609 60.490 8.164 1.00 18.33 C ATOM 225 O LEU A 24 74.601 60.065 7.590 1.00 20.35 O ATOM 226 CB LEU A 24 76.929 61.208 6.149 1.00 18.19 C ATOM 227 CG LEU A 24 78.217 61.176 5.318 1.00 23.55 C ATOM 228 CD1 LEU A 24 78.043 62.012 4.037 1.00 22.29 C ATOM 229 CD2 LEU A 24 79.402 61.673 6.154 1.00 22.68 C ATOM 230 H LEU A 24 77.240 58.630 6.305 1.00 0.00 H ATOM 231 N ASP A 25 75.577 61.005 9.394 1.00 17.55 N ATOM 232 CA ASP A 25 74.447 60.794 10.311 1.00 16.23 C ATOM 233 C ASP A 25 73.946 62.130 10.862 1.00 17.77 C ATOM 234 O ASP A 25 74.388 62.584 11.913 1.00 17.15 O ATOM 235 CB ASP A 25 74.891 59.825 11.434 1.00 18.84 C ATOM 236 CG ASP A 25 73.754 59.414 12.373 1.00 19.36 C ATOM 237 OD1 ASP A 25 72.618 59.941 12.250 1.00 17.09 O ATOM 238 OD2 ASP A 25 74.022 58.545 13.244 1.00 17.56 O ATOM 239 H ASP A 25 76.383 61.578 9.717 1.00 0.00 H ATOM 240 N THR A 26 72.969 62.733 10.180 1.00 16.63 N ATOM 241 CA THR A 26 72.477 64.038 10.605 1.00 17.39 C ATOM 242 C THR A 26 71.709 63.968 11.925 1.00 15.43 C ATOM 243 O THR A 26 71.512 65.002 12.561 1.00 15.20 O ATOM 244 CB THR A 26 71.598 64.659 9.513 1.00 19.39 C ATOM 245 OG1 THR A 26 70.492 63.796 9.199 1.00 18.69 O ATOM 246 CG2 THR A 26 72.406 64.894 8.230 1.00 20.60 C ATOM 247 HG1 THR A 26 69.943 63.656 10.011 1.00 0.00 H ATOM 248 H THR A 26 72.558 62.271 9.344 1.00 0.00 H ATOM 249 N GLY A 27 71.295 62.785 12.360 1.00 17.22 N ATOM 250 CA GLY A 27 70.651 62.612 13.649 1.00 18.44 C ATOM 251 C GLY A 27 71.600 62.411 14.807 1.00 19.91 C ATOM 252 O GLY A 27 71.169 62.180 15.947 1.00 16.07 O ATOM 253 H GLY A 27 71.437 61.951 11.755 1.00 0.00 H ATOM 254 N ALA A 28 72.893 62.506 14.542 1.00 17.04 N ATOM 255 CA ALA A 28 73.923 62.398 15.561 1.00 17.80 C ATOM 256 C ALA A 28 74.501 63.784 15.838 1.00 18.34 C ATOM 257 O ALA A 28 74.980 64.455 14.912 1.00 18.85 O ATOM 258 CB ALA A 28 75.023 61.441 15.109 1.00 21.22 C ATOM 259 H ALA A 28 73.186 62.666 13.557 1.00 0.00 H ATOM 260 N ASP A 29 74.448 64.215 17.105 1.00 15.48 N ATOM 261 CA ASP A 29 75.148 65.442 17.487 1.00 21.07 C ATOM 262 C ASP A 29 76.648 65.256 17.351 1.00 19.46 C ATOM 263 O ASP A 29 77.374 66.180 16.966 1.00 17.34 O ATOM 264 CB ASP A 29 74.840 65.843 18.939 1.00 20.02 C ATOM 265 CG ASP A 29 73.359 66.006 19.236 1.00 24.84 C ATOM 266 OD1 ASP A 29 72.516 66.105 18.313 1.00 21.83 O ATOM 267 OD2 ASP A 29 73.052 66.068 20.441 1.00 20.03 O ATOM 268 H ASP A 29 73.911 63.679 17.816 1.00 0.00 H ATOM 269 N ASP A 30 77.124 64.063 17.664 1.00 18.93 N ATOM 270 CA ASP A 30 78.535 63.812 17.870 1.00 17.89 C ATOM 271 C ASP A 30 78.996 62.720 16.920 1.00 22.38 C ATOM 272 O ASP A 30 78.194 61.944 16.398 1.00 18.58 O ATOM 273 CB ASP A 30 78.810 63.391 19.307 1.00 22.25 C ATOM 274 CG ASP A 30 78.245 64.376 20.319 1.00 26.19 C ATOM 275 OD1 ASP A 30 78.688 65.528 20.328 1.00 25.95 O ATOM 276 OD2 ASP A 30 77.323 64.002 21.062 1.00 35.06 O ATOM 277 H ASP A 30 76.457 63.272 17.767 1.00 0.00 H ATOM 278 N THR A 31 80.306 62.678 16.712 1.00 17.60 N ATOM 279 CA THR A 31 80.947 61.672 15.879 1.00 14.90 C ATOM 280 C THR A 31 81.440 60.531 16.763 1.00 18.65 C ATOM 281 O THR A 31 82.141 60.761 17.752 1.00 18.70 O ATOM 282 CB THR A 31 82.095 62.313 15.104 1.00 18.65 C ATOM 283 OG1 THR A 31 81.560 63.221 14.128 1.00 21.28 O ATOM 284 CG2 THR A 31 82.948 61.276 14.415 1.00 19.76 C ATOM 285 HG1 THR A 31 81.035 63.924 14.586 1.00 0.00 H ATOM 286 H THR A 31 80.903 63.399 17.166 1.00 0.00 H ATOM 287 N VAL A 32 81.041 59.306 16.431 1.00 19.65 N ATOM 288 CA VAL A 32 81.323 58.152 17.272 1.00 18.31 C ATOM 289 C VAL A 32 81.819 57.029 16.378 1.00 20.66 C ATOM 290 O VAL A 32 81.139 56.643 15.419 1.00 17.53 O ATOM 291 CB VAL A 32 80.091 57.689 18.071 1.00 20.88 C ATOM 292 CG1 VAL A 32 80.496 56.606 19.116 1.00 15.33 C ATOM 293 CG2 VAL A 32 79.430 58.856 18.755 1.00 21.16 C ATOM 294 H VAL A 32 80.513 59.169 15.546 1.00 0.00 H ATOM 295 N LEU A 33 82.992 56.502 16.712 1.00 16.94 N ATOM 296 CA LEU A 33 83.663 55.470 15.946 1.00 18.90 C ATOM 297 C LEU A 33 83.854 54.233 16.801 1.00 17.41 C ATOM 298 O LEU A 33 84.043 54.322 18.011 1.00 19.37 O ATOM 299 CB LEU A 33 85.016 55.930 15.464 1.00 24.42 C ATOM 300 CG LEU A 33 85.085 57.226 14.676 1.00 23.68 C ATOM 301 CD1 LEU A 33 86.543 57.467 14.306 1.00 31.38 C ATOM 302 CD2 LEU A 33 84.217 57.168 13.454 1.00 24.37 C ATOM 303 H LEU A 33 83.457 56.851 17.575 1.00 0.00 H ATOM 304 N GLU A 34 83.798 53.080 16.148 1.00 22.29 N ATOM 305 CA GLU A 34 83.999 51.820 16.836 1.00 27.84 C ATOM 306 C GLU A 34 85.396 51.783 17.440 1.00 23.06 C ATOM 307 O GLU A 34 86.280 52.559 17.075 1.00 23.33 O ATOM 308 CB GLU A 34 83.820 50.641 15.873 1.00 28.98 C ATOM 309 CG GLU A 34 82.442 50.555 15.189 1.00 26.97 C ATOM 310 CD GLU A 34 82.298 49.300 14.324 1.00 38.93 C ATOM 311 OE1 GLU A 34 82.788 49.312 13.178 1.00 39.49 O ATOM 312 OE2 GLU A 34 81.713 48.295 14.804 1.00 37.22 O ATOM 313 H GLU A 34 83.607 53.080 15.126 1.00 0.00 H ATOM 314 N GLU A 35 85.582 50.851 18.367 1.00 26.01 N ATOM 315 CA GLU A 35 86.854 50.673 19.054 1.00 29.00 C ATOM 316 C GLU A 35 88.022 50.708 18.077 1.00 24.58 C ATOM 317 O GLU A 35 88.024 50.013 17.061 1.00 26.49 O ATOM 318 CB GLU A 35 86.842 49.343 19.806 1.00 40.46 C ATOM 319 CG GLU A 35 87.975 49.180 20.797 1.00 54.12 C ATOM 320 CD GLU A 35 88.020 50.311 21.807 1.00 54.00 C ATOM 321 OE1 GLU A 35 89.114 50.883 21.981 1.00 54.52 O ATOM 322 OE2 GLU A 35 86.963 50.645 22.404 1.00 48.25 O ATOM 323 H GLU A 35 84.789 50.224 18.612 1.00 0.00 H ATOM 324 N MET A 36 89.015 51.530 18.393 1.00 30.53 N ATOM 325 CA MET A 36 90.192 51.688 17.550 1.00 31.20 C ATOM 326 C MET A 36 91.279 52.344 18.386 1.00 27.88 C ATOM 327 O MET A 36 91.009 52.915 19.443 1.00 32.13 O ATOM 328 CB MET A 36 89.886 52.531 16.298 1.00 32.12 C ATOM 329 CG MET A 36 89.592 54.007 16.583 1.00 31.69 C ATOM 330 SD MET A 36 89.469 55.045 15.110 1.00 32.60 S ATOM 331 CE MET A 36 91.111 54.876 14.403 1.00 39.34 C ATOM 332 H MET A 36 88.950 52.080 19.273 1.00 0.00 H ATOM 333 N ASN A 37 92.509 52.263 17.895 1.00 34.62 N ATOM 334 CA ASN A 37 93.631 52.964 18.505 1.00 37.80 C ATOM 335 C ASN A 37 93.768 54.351 17.883 1.00 36.21 C ATOM 336 O ASN A 37 93.799 54.487 16.657 1.00 37.98 O ATOM 337 CB ASN A 37 94.920 52.163 18.318 1.00 40.19 C ATOM 338 CG ASN A 37 94.888 50.831 19.053 1.00 39.23 C ATOM 339 OD1 ASN A 37 95.044 49.774 18.452 1.00 45.27 O ATOM 340 ND2 ASN A 37 94.674 50.884 20.357 1.00 41.90 N ATOM 341 HD22 ASN A 37 94.547 51.803 20.826 1.00 0.00 H ATOM 342 HD21 ASN A 37 94.633 50.006 20.913 1.00 0.00 H ATOM 343 H ASN A 37 92.677 51.682 17.049 1.00 0.00 H ATOM 344 N LEU A 38 93.842 55.377 18.728 1.00 37.79 N ATOM 345 CA LEU A 38 94.066 56.738 18.263 1.00 40.73 C ATOM 346 C LEU A 38 95.158 57.392 19.109 1.00 39.40 C ATOM 347 O LEU A 38 95.138 57.271 20.336 1.00 42.16 O ATOM 348 CB LEU A 38 92.803 57.603 18.362 1.00 36.84 C ATOM 349 CG LEU A 38 91.780 57.610 17.242 1.00 39.64 C ATOM 350 CD1 LEU A 38 90.715 58.668 17.563 1.00 36.89 C ATOM 351 CD2 LEU A 38 92.434 57.886 15.897 1.00 38.85 C ATOM 352 H LEU A 38 93.737 55.201 19.748 1.00 0.00 H ATOM 353 N PRO A 39 96.099 58.091 18.485 1.00 39.54 N ATOM 354 CA PRO A 39 97.126 58.772 19.278 1.00 49.51 C ATOM 355 C PRO A 39 96.567 60.009 19.957 1.00 47.12 C ATOM 356 O PRO A 39 95.645 60.662 19.461 1.00 44.55 O ATOM 357 CB PRO A 39 98.185 59.141 18.235 1.00 47.42 C ATOM 358 CG PRO A 39 97.415 59.320 16.995 1.00 44.05 C ATOM 359 CD PRO A 39 96.296 58.314 17.045 1.00 40.84 C ATOM 360 N GLY A 40 97.142 60.327 21.107 1.00 50.83 N ATOM 361 CA GLY A 40 96.779 61.503 21.858 1.00 57.63 C ATOM 362 C GLY A 40 96.110 61.156 23.178 1.00 55.35 C ATOM 363 O GLY A 40 95.796 59.998 23.473 1.00 49.76 O ATOM 364 H GLY A 40 97.885 59.704 21.483 1.00 0.00 H ATOM 365 N ARG A 41 95.919 62.194 23.979 1.00 47.81 N ATOM 366 CA ARG A 41 95.227 62.049 25.245 1.00 48.32 C ATOM 367 C ARG A 41 93.722 61.980 25.011 1.00 38.16 C ATOM 368 O ARG A 41 93.202 62.477 24.007 1.00 33.99 O ATOM 369 CB ARG A 41 95.569 63.214 26.174 1.00 50.78 C ATOM 370 H ARG A 41 96.272 63.130 23.694 1.00 0.00 H ATOM 371 N TRP A 42 93.025 61.342 25.948 1.00 42.16 N ATOM 372 CA TRP A 42 91.577 61.232 25.884 1.00 35.12 C ATOM 373 C TRP A 42 91.018 61.261 27.297 1.00 40.62 C ATOM 374 O TRP A 42 91.718 60.969 28.270 1.00 43.42 O ATOM 375 CB TRP A 42 91.156 59.949 25.157 1.00 32.81 C ATOM 376 CG TRP A 42 91.662 58.695 25.816 1.00 29.53 C ATOM 377 CD1 TRP A 42 92.790 57.998 25.499 1.00 38.72 C ATOM 378 CD2 TRP A 42 91.050 57.995 26.898 1.00 35.34 C ATOM 379 NE1 TRP A 42 92.917 56.904 26.321 1.00 40.92 N ATOM 380 CE2 TRP A 42 91.863 56.884 27.192 1.00 37.04 C ATOM 381 CE3 TRP A 42 89.893 58.200 27.650 1.00 34.26 C ATOM 382 CZ2 TRP A 42 91.549 55.981 28.196 1.00 41.45 C ATOM 383 CZ3 TRP A 42 89.587 57.302 28.653 1.00 36.80 C ATOM 384 CH2 TRP A 42 90.411 56.213 28.920 1.00 41.27 C ATOM 385 HE1 TRP A 42 93.688 56.206 26.286 1.00 0.00 H ATOM 386 H TRP A 42 93.530 60.910 26.748 1.00 0.00 H ATOM 387 N LYS A 43 89.740 61.627 27.396 1.00 36.98 N ATOM 388 CA LYS A 43 89.011 61.644 28.647 1.00 34.78 C ATOM 389 C LYS A 43 87.788 60.738 28.554 1.00 34.45 C ATOM 390 O LYS A 43 87.156 60.666 27.494 1.00 29.07 O ATOM 391 CB LYS A 43 88.561 63.068 28.996 1.00 34.55 C ATOM 392 H LYS A 43 89.241 61.915 26.530 1.00 0.00 H ATOM 393 N PRO A 44 87.419 60.047 29.631 1.00 35.76 N ATOM 394 CA PRO A 44 86.202 59.227 29.579 1.00 35.20 C ATOM 395 C PRO A 44 84.961 60.100 29.552 1.00 36.74 C ATOM 396 O PRO A 44 84.889 61.138 30.216 1.00 35.56 O ATOM 397 CB PRO A 44 86.277 58.383 30.859 1.00 36.38 C ATOM 398 CG PRO A 44 87.166 59.141 31.771 1.00 43.49 C ATOM 399 CD PRO A 44 88.135 59.896 30.910 1.00 38.76 C ATOM 400 N LYS A 45 83.982 59.678 28.760 1.00 28.43 N ATOM 401 CA LYS A 45 82.728 60.410 28.654 1.00 25.38 C ATOM 402 C LYS A 45 81.596 59.410 28.444 1.00 28.18 C ATOM 403 O LYS A 45 81.825 58.234 28.167 1.00 26.73 O ATOM 404 CB LYS A 45 82.776 61.436 27.512 1.00 26.65 C ATOM 405 H LYS A 45 84.114 58.808 28.205 1.00 0.00 H ATOM 406 N MET A 46 80.368 59.892 28.599 1.00 27.20 N ATOM 407 CA MET A 46 79.164 59.111 28.352 1.00 31.08 C ATOM 408 C MET A 46 78.414 59.736 27.185 1.00 29.53 C ATOM 409 O MET A 46 78.400 60.960 27.030 1.00 25.33 O ATOM 410 CB MET A 46 78.228 59.090 29.563 1.00 27.49 C ATOM 411 CG MET A 46 78.824 58.601 30.861 1.00 32.69 C ATOM 412 SD MET A 46 79.209 56.865 30.863 1.00 40.46 S ATOM 413 CE MET A 46 77.618 56.120 30.528 1.00 32.18 C ATOM 414 H MET A 46 80.261 60.878 28.913 1.00 0.00 H ATOM 415 N ILE A 47 77.770 58.894 26.379 1.00 22.12 N ATOM 416 CA ILE A 47 76.841 59.359 25.355 1.00 22.67 C ATOM 417 C ILE A 47 75.649 58.418 25.313 1.00 26.41 C ATOM 418 O ILE A 47 75.770 57.213 25.549 1.00 26.59 O ATOM 419 CB ILE A 47 77.483 59.457 23.956 1.00 25.78 C ATOM 420 CG1 ILE A 47 78.034 58.100 23.502 1.00 25.77 C ATOM 421 CG2 ILE A 47 78.566 60.493 23.966 1.00 40.78 C ATOM 422 CD1 ILE A 47 78.323 58.030 22.049 1.00 35.76 C ATOM 423 H ILE A 47 77.935 57.872 26.483 1.00 0.00 H ATOM 424 N GLY A 48 74.495 58.983 24.996 1.00 24.98 N ATOM 425 CA GLY A 48 73.257 58.238 24.929 1.00 31.65 C ATOM 426 C GLY A 48 72.774 58.143 23.497 1.00 26.62 C ATOM 427 O GLY A 48 72.962 59.067 22.697 1.00 28.90 O ATOM 428 H GLY A 48 74.478 60.002 24.787 1.00 0.00 H ATOM 429 N GLY A 49 72.131 57.024 23.190 1.00 20.99 N ATOM 430 CA GLY A 49 71.590 56.763 21.877 1.00 17.03 C ATOM 431 C GLY A 49 70.175 56.249 22.019 1.00 22.42 C ATOM 432 O GLY A 49 69.528 56.462 23.050 1.00 20.54 O ATOM 433 H GLY A 49 72.011 56.302 23.929 1.00 0.00 H ATOM 434 N ILE A 50 69.686 55.549 21.002 1.00 14.42 N ATOM 435 CA ILE A 50 68.301 55.102 21.036 1.00 19.64 C ATOM 436 C ILE A 50 68.066 54.100 22.156 1.00 25.05 C ATOM 437 O ILE A 50 66.951 53.997 22.677 1.00 19.61 O ATOM 438 CB ILE A 50 67.885 54.496 19.691 1.00 18.76 C ATOM 439 CG1 ILE A 50 66.360 54.485 19.622 1.00 20.71 C ATOM 440 CG2 ILE A 50 68.451 53.085 19.531 1.00 21.59 C ATOM 441 CD1 ILE A 50 65.800 54.202 18.245 1.00 26.12 C ATOM 442 H ILE A 50 70.289 55.321 20.186 1.00 0.00 H ATOM 443 N GLY A 51 69.075 53.315 22.500 1.00 20.14 N ATOM 444 CA GLY A 51 68.921 52.240 23.453 1.00 24.24 C ATOM 445 C GLY A 51 69.449 52.502 24.841 1.00 26.35 C ATOM 446 O GLY A 51 69.325 51.629 25.707 1.00 22.02 O ATOM 447 H GLY A 51 70.008 53.477 22.071 1.00 0.00 H ATOM 448 N GLY A 52 70.032 53.675 25.090 1.00 21.81 N ATOM 449 CA GLY A 52 70.593 53.984 26.381 1.00 22.63 C ATOM 450 C GLY A 52 71.974 54.581 26.227 1.00 27.11 C ATOM 451 O GLY A 52 72.358 55.037 25.144 1.00 19.27 O ATOM 452 H GLY A 52 70.083 54.386 24.333 1.00 0.00 H ATOM 453 N PHE A 53 72.733 54.554 27.321 1.00 23.08 N ATOM 454 CA PHE A 53 73.980 55.299 27.439 1.00 25.35 C ATOM 455 C PHE A 53 75.169 54.355 27.470 1.00 25.35 C ATOM 456 O PHE A 53 75.092 53.271 28.054 1.00 24.82 O ATOM 457 CB PHE A 53 73.973 56.166 28.697 1.00 24.73 C ATOM 458 CG PHE A 53 73.116 57.379 28.581 1.00 25.21 C ATOM 459 CD1 PHE A 53 71.741 57.279 28.683 1.00 32.46 C ATOM 460 CD2 PHE A 53 73.677 58.628 28.375 1.00 25.05 C ATOM 461 CE1 PHE A 53 70.934 58.396 28.566 1.00 33.64 C ATOM 462 CE2 PHE A 53 72.870 59.749 28.264 1.00 30.94 C ATOM 463 CZ PHE A 53 71.497 59.625 28.365 1.00 33.09 C ATOM 464 H PHE A 53 72.422 53.975 28.127 1.00 0.00 H ATOM 465 N ILE A 54 76.272 54.778 26.837 1.00 24.35 N ATOM 466 CA ILE A 54 77.500 53.992 26.770 1.00 28.55 C ATOM 467 C ILE A 54 78.677 54.863 27.184 1.00 27.04 C ATOM 468 O ILE A 54 78.660 56.087 27.034 1.00 26.97 O ATOM 469 CB ILE A 54 77.775 53.406 25.358 1.00 23.80 C ATOM 470 CG1 ILE A 54 78.054 54.528 24.343 1.00 23.20 C ATOM 471 CG2 ILE A 54 76.611 52.539 24.907 1.00 29.55 C ATOM 472 CD1 ILE A 54 78.517 54.045 22.970 1.00 27.82 C ATOM 473 H ILE A 54 76.252 55.708 26.373 1.00 0.00 H ATOM 474 N LYS A 55 79.732 54.201 27.647 1.00 26.24 N ATOM 475 CA LYS A 55 80.986 54.863 27.977 1.00 32.86 C ATOM 476 C LYS A 55 81.841 54.952 26.722 1.00 24.81 C ATOM 477 O LYS A 55 81.945 53.977 25.980 1.00 24.72 O ATOM 478 CB LYS A 55 81.728 54.091 29.071 1.00 26.92 C ATOM 479 H LYS A 55 79.659 53.172 27.779 1.00 0.00 H ATOM 480 N VAL A 56 82.458 56.115 26.491 1.00 25.38 N ATOM 481 CA VAL A 56 83.306 56.335 25.328 1.00 26.10 C ATOM 482 C VAL A 56 84.583 57.039 25.765 1.00 27.11 C ATOM 483 O VAL A 56 84.675 57.582 26.862 1.00 26.56 O ATOM 484 CB VAL A 56 82.599 57.159 24.234 1.00 26.63 C ATOM 485 CG1 VAL A 56 81.475 56.324 23.593 1.00 19.98 C ATOM 486 CG2 VAL A 56 82.056 58.479 24.815 1.00 24.43 C ATOM 487 H VAL A 56 82.327 56.893 27.168 1.00 0.00 H ATOM 488 N ARG A 57 85.567 57.031 24.872 1.00 21.38 N ATOM 489 CA ARG A 57 86.782 57.818 25.019 1.00 27.66 C ATOM 490 C ARG A 57 86.685 59.040 24.122 1.00 27.37 C ATOM 491 O ARG A 57 86.497 58.909 22.907 1.00 27.64 O ATOM 492 CB ARG A 57 88.013 56.991 24.658 1.00 27.49 C ATOM 493 CG ARG A 57 88.046 55.649 25.361 1.00 33.46 C ATOM 494 CD ARG A 57 89.438 55.016 25.340 1.00 39.90 C ATOM 495 NE ARG A 57 90.057 55.035 24.020 1.00 35.27 N ATOM 496 CZ ARG A 57 89.907 54.091 23.092 1.00 45.40 C ATOM 497 NH1 ARG A 57 90.524 54.209 21.920 1.00 44.60 N ATOM 498 NH2 ARG A 57 89.144 53.030 23.322 1.00 42.60 N ATOM 499 HE ARG A 57 90.662 55.848 23.785 1.00 0.00 H ATOM 500 HH12 ARG A 57 90.408 53.473 21.195 1.00 0.00 H ATOM 501 HH11 ARG A 57 91.123 55.037 21.729 1.00 0.00 H ATOM 502 HH22 ARG A 57 89.035 52.300 22.590 1.00 0.00 H ATOM 503 HH21 ARG A 57 88.655 52.929 24.234 1.00 0.00 H ATOM 504 H ARG A 57 85.464 56.433 24.027 1.00 0.00 H ATOM 505 N GLN A 58 86.813 60.221 24.713 1.00 23.54 N ATOM 506 CA GLN A 58 86.682 61.478 23.982 1.00 22.99 C ATOM 507 C GLN A 58 88.062 61.986 23.590 1.00 29.71 C ATOM 508 O GLN A 58 88.871 62.334 24.459 1.00 30.51 O ATOM 509 CB GLN A 58 85.959 62.525 24.816 1.00 24.14 C ATOM 510 CG GLN A 58 85.785 63.848 24.088 1.00 27.48 C ATOM 511 CD GLN A 58 85.101 64.888 24.948 1.00 31.95 C ATOM 512 OE1 GLN A 58 84.292 64.555 25.807 1.00 33.58 O ATOM 513 NE2 GLN A 58 85.444 66.155 24.737 1.00 40.50 N ATOM 514 HE22 GLN A 58 86.135 66.390 23.996 1.00 0.00 H ATOM 515 HE21 GLN A 58 85.021 66.911 25.313 1.00 0.00 H ATOM 516 H GLN A 58 87.014 60.252 25.733 1.00 0.00 H ATOM 517 N TYR A 59 88.318 62.033 22.286 1.00 24.80 N ATOM 518 CA TYR A 59 89.519 62.638 21.723 1.00 29.68 C ATOM 519 C TYR A 59 89.138 63.992 21.140 1.00 31.67 C ATOM 520 O TYR A 59 88.232 64.077 20.305 1.00 28.68 O ATOM 521 CB TYR A 59 90.126 61.754 20.634 1.00 27.00 C ATOM 522 CG TYR A 59 90.608 60.407 21.109 1.00 24.39 C ATOM 523 CD1 TYR A 59 89.723 59.347 21.289 1.00 28.90 C ATOM 524 CD2 TYR A 59 91.957 60.187 21.366 1.00 33.77 C ATOM 525 CE1 TYR A 59 90.172 58.112 21.718 1.00 31.33 C ATOM 526 CE2 TYR A 59 92.417 58.956 21.789 1.00 33.70 C ATOM 527 CZ TYR A 59 91.526 57.926 21.970 1.00 37.63 C ATOM 528 OH TYR A 59 91.998 56.716 22.395 1.00 32.63 O ATOM 529 HH TYR A 59 91.244 56.080 22.478 1.00 0.00 H ATOM 530 H TYR A 59 87.624 61.616 21.633 1.00 0.00 H ATOM 531 N ASP A 60 89.814 65.044 21.584 1.00 31.97 N ATOM 532 CA ASP A 60 89.535 66.392 21.117 1.00 31.49 C ATOM 533 C ASP A 60 90.532 66.796 20.040 1.00 30.45 C ATOM 534 O ASP A 60 91.668 66.321 20.009 1.00 31.63 O ATOM 535 CB ASP A 60 89.586 67.394 22.273 1.00 38.03 C ATOM 536 CG ASP A 60 88.380 67.288 23.192 1.00 42.56 C ATOM 537 OD1 ASP A 60 87.273 66.973 22.696 1.00 37.78 O ATOM 538 OD2 ASP A 60 88.537 67.516 24.409 1.00 57.88 O ATOM 539 H ASP A 60 90.566 64.900 22.287 1.00 0.00 H ATOM 540 N GLN A 61 90.080 67.673 19.148 1.00 31.31 N ATOM 541 CA GLN A 61 90.920 68.279 18.116 1.00 32.37 C ATOM 542 C GLN A 61 91.643 67.224 17.276 1.00 36.51 C ATOM 543 O GLN A 61 92.844 67.314 17.016 1.00 32.81 O ATOM 544 CB GLN A 61 91.909 69.271 18.742 1.00 46.88 C ATOM 545 CG GLN A 61 91.223 70.464 19.422 1.00 56.54 C ATOM 546 CD GLN A 61 92.175 71.621 19.747 1.00 64.57 C ATOM 547 OE1 GLN A 61 92.211 72.106 20.878 1.00 75.81 O ATOM 548 NE2 GLN A 61 92.926 72.079 18.748 1.00 53.47 N ATOM 549 HE22 GLN A 61 92.864 71.640 17.807 1.00 0.00 H ATOM 550 HE21 GLN A 61 93.574 72.876 18.908 1.00 0.00 H ATOM 551 H GLN A 61 89.076 67.942 19.187 1.00 0.00 H ATOM 552 N ILE A 62 90.883 66.234 16.804 1.00 33.18 N ATOM 553 CA ILE A 62 91.420 65.164 15.972 1.00 30.68 C ATOM 554 C ILE A 62 91.250 65.542 14.509 1.00 32.99 C ATOM 555 O ILE A 62 90.173 65.981 14.091 1.00 26.89 O ATOM 556 CB ILE A 62 90.714 63.829 16.267 1.00 33.84 C ATOM 557 CG1 ILE A 62 91.002 63.370 17.702 1.00 38.69 C ATOM 558 CG2 ILE A 62 91.134 62.767 15.264 1.00 31.77 C ATOM 559 CD1 ILE A 62 92.442 62.936 17.939 1.00 41.15 C ATOM 560 H ILE A 62 89.870 66.225 17.038 1.00 0.00 H ATOM 561 N LEU A 63 92.309 65.354 13.728 1.00 26.53 N ATOM 562 CA LEU A 63 92.244 65.541 12.287 1.00 33.67 C ATOM 563 C LEU A 63 91.524 64.363 11.655 1.00 37.99 C ATOM 564 O LEU A 63 91.886 63.209 11.892 1.00 31.29 O ATOM 565 CB LEU A 63 93.649 65.661 11.688 1.00 40.38 C ATOM 566 CG LEU A 63 94.371 67.006 11.829 1.00 51.08 C ATOM 567 CD1 LEU A 63 94.323 67.520 13.270 1.00 46.17 C ATOM 568 CD2 LEU A 63 95.814 66.896 11.333 1.00 50.59 C ATOM 569 H LEU A 63 93.210 65.065 14.160 1.00 0.00 H ATOM 570 N ILE A 64 90.527 64.652 10.831 1.00 27.01 N ATOM 571 CA ILE A 64 89.800 63.615 10.115 1.00 26.49 C ATOM 572 C ILE A 64 89.431 64.144 8.738 1.00 34.33 C ATOM 573 O ILE A 64 89.014 65.298 8.595 1.00 36.70 O ATOM 574 CB ILE A 64 88.553 63.172 10.907 1.00 32.91 C ATOM 575 CG1 ILE A 64 87.753 62.141 10.121 1.00 34.74 C ATOM 576 CG2 ILE A 64 87.698 64.379 11.247 1.00 38.11 C ATOM 577 CD1 ILE A 64 86.675 61.472 10.956 1.00 44.66 C ATOM 578 H ILE A 64 90.257 65.647 10.693 1.00 0.00 H ATOM 579 N GLU A 65 89.616 63.308 7.720 1.00 36.98 N ATOM 580 CA GLU A 65 89.279 63.650 6.348 1.00 32.61 C ATOM 581 C GLU A 65 88.073 62.827 5.930 1.00 35.70 C ATOM 582 O GLU A 65 88.037 61.615 6.167 1.00 33.44 O ATOM 583 CB GLU A 65 90.467 63.397 5.417 1.00 38.93 C ATOM 584 CG GLU A 65 90.376 64.089 4.059 1.00 52.82 C ATOM 585 CD GLU A 65 91.731 64.175 3.360 1.00 59.02 C ATOM 586 OE1 GLU A 65 91.979 65.177 2.658 1.00 51.81 O ATOM 587 OE2 GLU A 65 92.552 63.250 3.527 1.00 58.96 O ATOM 588 H GLU A 65 90.019 62.369 7.914 1.00 0.00 H ATOM 589 N ILE A 66 87.085 63.492 5.331 1.00 28.97 N ATOM 590 CA ILE A 66 85.792 62.897 4.992 1.00 36.40 C ATOM 591 C ILE A 66 85.532 63.220 3.530 1.00 34.99 C ATOM 592 O ILE A 66 85.287 64.382 3.188 1.00 32.50 O ATOM 593 CB ILE A 66 84.655 63.438 5.872 1.00 34.16 C ATOM 594 CG1 ILE A 66 84.886 63.090 7.340 1.00 31.36 C ATOM 595 CG2 ILE A 66 83.287 62.912 5.421 1.00 26.77 C ATOM 596 CD1 ILE A 66 84.133 63.980 8.265 1.00 28.24 C ATOM 597 H ILE A 66 87.242 64.492 5.091 1.00 0.00 H ATOM 598 N CYS A 67 85.586 62.205 2.669 1.00 41.24 N ATOM 599 CA CYS A 67 85.482 62.414 1.222 1.00 50.38 C ATOM 600 C CYS A 67 86.427 63.526 0.776 1.00 41.98 C ATOM 601 O CYS A 67 86.078 64.379 -0.043 1.00 46.02 O ATOM 602 CB CYS A 67 84.040 62.728 0.800 1.00 53.73 C ATOM 603 SG CYS A 67 83.084 61.322 0.206 1.00 67.01 S ATOM 604 H CYS A 67 85.705 61.238 3.033 1.00 0.00 H ATOM 605 N GLY A 68 87.638 63.522 1.330 1.00 39.47 N ATOM 606 CA GLY A 68 88.629 64.516 0.981 1.00 48.43 C ATOM 607 C GLY A 68 88.405 65.898 1.558 1.00 50.03 C ATOM 608 O GLY A 68 89.171 66.812 1.231 1.00 56.98 O ATOM 609 H GLY A 68 87.876 62.789 2.028 1.00 0.00 H ATOM 610 N HIS A 69 87.377 66.093 2.385 1.00 40.14 N ATOM 611 CA HIS A 69 87.166 67.348 3.101 1.00 32.57 C ATOM 612 C HIS A 69 87.753 67.220 4.500 1.00 31.43 C ATOM 613 O HIS A 69 87.526 66.217 5.188 1.00 31.57 O ATOM 614 CB HIS A 69 85.677 67.698 3.175 1.00 37.72 C ATOM 615 CG HIS A 69 85.052 67.985 1.843 1.00 40.65 C ATOM 616 ND1 HIS A 69 84.774 69.265 1.408 1.00 41.91 N ATOM 617 CD2 HIS A 69 84.652 67.156 0.850 1.00 41.98 C ATOM 618 CE1 HIS A 69 84.224 69.211 0.208 1.00 37.30 C ATOM 619 NE2 HIS A 69 84.143 67.943 -0.155 1.00 44.76 N ATOM 620 H HIS A 69 86.697 65.319 2.526 1.00 0.00 H ATOM 621 N LYS A 70 88.512 68.221 4.918 1.00 27.17 N ATOM 622 CA LYS A 70 89.202 68.151 6.197 1.00 29.70 C ATOM 623 C LYS A 70 88.342 68.730 7.319 1.00 31.27 C ATOM 624 O LYS A 70 87.678 69.760 7.157 1.00 26.42 O ATOM 625 CB LYS A 70 90.539 68.886 6.129 1.00 32.45 C ATOM 626 H LYS A 70 88.616 69.068 4.324 1.00 0.00 H ATOM 627 N ALA A 71 88.364 68.051 8.456 1.00 25.01 N ATOM 628 CA ALA A 71 87.737 68.530 9.676 1.00 24.37 C ATOM 629 C ALA A 71 88.693 68.292 10.826 1.00 24.36 C ATOM 630 O ALA A 71 89.522 67.385 10.773 1.00 24.96 O ATOM 631 CB ALA A 71 86.408 67.820 9.947 1.00 24.43 C ATOM 632 H ALA A 71 88.852 67.133 8.476 1.00 0.00 H ATOM 633 N ILE A 72 88.575 69.110 11.870 1.00 22.66 N ATOM 634 CA ILE A 72 89.367 68.932 13.086 1.00 23.90 C ATOM 635 C ILE A 72 88.430 69.103 14.266 1.00 21.77 C ATOM 636 O ILE A 72 87.978 70.220 14.545 1.00 22.71 O ATOM 637 CB ILE A 72 90.540 69.921 13.190 1.00 25.33 C ATOM 638 CG1 ILE A 72 91.440 69.808 11.961 1.00 25.54 C ATOM 639 CG2 ILE A 72 91.330 69.661 14.485 1.00 29.84 C ATOM 640 CD1 ILE A 72 92.563 70.827 11.918 1.00 27.22 C ATOM 641 H ILE A 72 87.899 69.899 11.819 1.00 0.00 H ATOM 642 N GLY A 73 88.166 68.022 14.982 1.00 24.48 N ATOM 643 CA GLY A 73 87.141 68.102 15.997 1.00 21.17 C ATOM 644 C GLY A 73 87.171 66.920 16.931 1.00 28.19 C ATOM 645 O GLY A 73 88.102 66.109 16.924 1.00 24.50 O ATOM 646 H GLY A 73 88.684 67.135 14.818 1.00 0.00 H ATOM 647 N THR A 74 86.115 66.833 17.730 1.00 23.63 N ATOM 648 CA THR A 74 86.017 65.789 18.731 1.00 24.11 C ATOM 649 C THR A 74 85.563 64.495 18.081 1.00 23.39 C ATOM 650 O THR A 74 84.606 64.481 17.301 1.00 20.69 O ATOM 651 CB THR A 74 85.053 66.200 19.837 1.00 23.73 C ATOM 652 OG1 THR A 74 85.507 67.429 20.418 1.00 28.92 O ATOM 653 CG2 THR A 74 85.004 65.143 20.923 1.00 22.75 C ATOM 654 HG1 THR A 74 86.413 67.299 20.795 1.00 0.00 H ATOM 655 H THR A 74 85.345 67.525 17.636 1.00 0.00 H ATOM 656 N VAL A 75 86.269 63.415 18.397 1.00 26.45 N ATOM 657 CA VAL A 75 85.905 62.067 17.979 1.00 22.49 C ATOM 658 C VAL A 75 85.715 61.251 19.244 1.00 25.67 C ATOM 659 O VAL A 75 86.587 61.259 20.125 1.00 24.53 O ATOM 660 CB VAL A 75 86.980 61.445 17.066 1.00 24.19 C ATOM 661 CG1 VAL A 75 86.639 59.997 16.735 1.00 27.69 C ATOM 662 CG2 VAL A 75 87.131 62.272 15.778 1.00 23.97 C ATOM 663 H VAL A 75 87.126 63.538 18.973 1.00 0.00 H ATOM 664 N LEU A 76 84.558 60.597 19.356 1.00 19.66 N ATOM 665 CA LEU A 76 84.265 59.679 20.451 1.00 21.64 C ATOM 666 C LEU A 76 84.485 58.251 19.977 1.00 23.02 C ATOM 667 O LEU A 76 84.054 57.889 18.878 1.00 21.69 O ATOM 668 CB LEU A 76 82.824 59.847 20.937 1.00 22.20 C ATOM 669 CG LEU A 76 82.428 61.279 21.282 1.00 23.09 C ATOM 670 CD1 LEU A 76 81.004 61.296 21.773 1.00 22.87 C ATOM 671 CD2 LEU A 76 83.348 61.905 22.325 1.00 25.78 C ATOM 672 H LEU A 76 83.831 60.749 18.628 1.00 0.00 H ATOM 673 N VAL A 77 85.138 57.439 20.806 1.00 22.66 N ATOM 674 CA VAL A 77 85.492 56.071 20.444 1.00 24.27 C ATOM 675 C VAL A 77 84.891 55.137 21.477 1.00 23.47 C ATOM 676 O VAL A 77 85.150 55.286 22.678 1.00 23.42 O ATOM 677 CB VAL A 77 87.013 55.878 20.359 1.00 28.96 C ATOM 678 CG1 VAL A 77 87.349 54.410 20.117 1.00 29.09 C ATOM 679 CG2 VAL A 77 87.579 56.739 19.257 1.00 26.25 C ATOM 680 H VAL A 77 85.406 57.793 21.746 1.00 0.00 H ATOM 681 N GLY A 78 84.092 54.175 21.013 1.00 21.78 N ATOM 682 CA GLY A 78 83.482 53.214 21.896 1.00 21.76 C ATOM 683 C GLY A 78 82.522 52.307 21.168 1.00 20.61 C ATOM 684 O GLY A 78 82.504 52.259 19.934 1.00 20.28 O ATOM 685 H GLY A 78 83.905 54.117 19.992 1.00 0.00 H ATOM 686 N PRO A 79 81.675 51.591 21.922 1.00 22.51 N ATOM 687 CA PRO A 79 80.880 50.490 21.342 1.00 20.47 C ATOM 688 C PRO A 79 79.639 50.974 20.603 1.00 20.96 C ATOM 689 O PRO A 79 78.503 50.624 20.935 1.00 19.69 O ATOM 690 CB PRO A 79 80.535 49.647 22.579 1.00 25.93 C ATOM 691 CG PRO A 79 80.528 50.622 23.722 1.00 28.67 C ATOM 692 CD PRO A 79 81.615 51.611 23.398 1.00 27.35 C ATOM 693 N THR A 80 79.856 51.819 19.598 1.00 22.80 N ATOM 694 CA THR A 80 78.774 52.133 18.685 1.00 16.36 C ATOM 695 C THR A 80 78.605 50.982 17.695 1.00 19.28 C ATOM 696 O THR A 80 79.583 50.341 17.306 1.00 22.32 O ATOM 697 CB THR A 80 79.057 53.431 17.922 1.00 14.21 C ATOM 698 OG1 THR A 80 78.018 53.655 16.968 1.00 17.34 O ATOM 699 CG2 THR A 80 80.420 53.366 17.204 1.00 20.53 C ATOM 700 HG1 THR A 80 77.986 52.897 16.332 1.00 0.00 H ATOM 701 H THR A 80 80.793 52.250 19.469 1.00 0.00 H ATOM 702 N PRO A 81 77.375 50.689 17.271 1.00 18.04 N ATOM 703 CA PRO A 81 77.195 49.616 16.275 1.00 21.01 C ATOM 704 C PRO A 81 77.798 49.934 14.916 1.00 27.23 C ATOM 705 O PRO A 81 78.077 49.008 14.145 1.00 22.49 O ATOM 706 CB PRO A 81 75.668 49.467 16.181 1.00 24.97 C ATOM 707 CG PRO A 81 75.113 50.733 16.714 1.00 26.70 C ATOM 708 CD PRO A 81 76.092 51.222 17.753 1.00 20.66 C ATOM 709 N VAL A 82 77.984 51.209 14.596 1.00 22.14 N ATOM 710 CA VAL A 82 78.420 51.657 13.274 1.00 18.88 C ATOM 711 C VAL A 82 79.235 52.934 13.460 1.00 22.94 C ATOM 712 O VAL A 82 78.929 53.749 14.331 1.00 19.79 O ATOM 713 CB VAL A 82 77.196 51.895 12.351 1.00 29.98 C ATOM 714 CG1 VAL A 82 77.592 52.575 11.044 1.00 36.40 C ATOM 715 CG2 VAL A 82 76.474 50.576 12.060 1.00 38.66 C ATOM 716 H VAL A 82 77.810 51.929 15.326 1.00 0.00 H ATOM 717 N ASN A 83 80.273 53.115 12.643 1.00 21.52 N ATOM 718 CA ASN A 83 80.992 54.384 12.622 1.00 21.05 C ATOM 719 C ASN A 83 80.077 55.476 12.082 1.00 22.58 C ATOM 720 O ASN A 83 79.614 55.378 10.941 1.00 20.54 O ATOM 721 CB ASN A 83 82.234 54.293 11.734 1.00 24.10 C ATOM 722 CG ASN A 83 83.282 53.331 12.251 1.00 23.10 C ATOM 723 OD1 ASN A 83 83.452 53.151 13.453 1.00 24.26 O ATOM 724 ND2 ASN A 83 84.027 52.732 11.322 1.00 25.13 N ATOM 725 HD22 ASN A 83 83.847 52.914 10.314 1.00 0.00 H ATOM 726 HD21 ASN A 83 84.788 52.082 11.605 1.00 0.00 H ATOM 727 H ASN A 83 80.573 52.343 12.014 1.00 0.00 H ATOM 728 N ILE A 84 79.855 56.541 12.862 1.00 16.10 N ATOM 729 CA ILE A 84 78.974 57.623 12.443 1.00 16.30 C ATOM 730 C ILE A 84 79.707 58.954 12.495 1.00 20.04 C ATOM 731 O ILE A 84 80.419 59.258 13.461 1.00 17.80 O ATOM 732 CB ILE A 84 77.689 57.696 13.295 1.00 18.36 C ATOM 733 CG1 ILE A 84 78.028 57.768 14.789 1.00 19.67 C ATOM 734 CG2 ILE A 84 76.801 56.505 12.957 1.00 21.87 C ATOM 735 CD1 ILE A 84 76.837 58.048 15.677 1.00 19.30 C ATOM 736 H ILE A 84 80.323 56.597 13.789 1.00 0.00 H ATOM 737 N ILE A 85 79.502 59.750 11.451 1.00 16.70 N ATOM 738 CA ILE A 85 79.948 61.136 11.395 1.00 16.58 C ATOM 739 C ILE A 85 78.763 62.004 11.785 1.00 16.35 C ATOM 740 O ILE A 85 77.758 62.049 11.063 1.00 15.80 O ATOM 741 CB ILE A 85 80.463 61.520 10.001 1.00 16.80 C ATOM 742 CG1 ILE A 85 81.531 60.550 9.509 1.00 14.57 C ATOM 743 CG2 ILE A 85 81.038 62.932 10.044 1.00 18.16 C ATOM 744 CD1 ILE A 85 82.696 60.400 10.464 1.00 18.63 C ATOM 745 H ILE A 85 78.996 59.363 10.629 1.00 0.00 H ATOM 746 N GLY A 86 78.885 62.717 12.911 1.00 14.61 N ATOM 747 CA GLY A 86 77.812 63.536 13.431 1.00 16.30 C ATOM 748 C GLY A 86 77.966 65.008 13.067 1.00 17.87 C ATOM 749 O GLY A 86 78.888 65.410 12.370 1.00 16.89 O ATOM 750 H GLY A 86 79.785 62.681 13.431 1.00 0.00 H ATOM 751 N ARG A 87 77.028 65.822 13.576 1.00 14.39 N ATOM 752 CA ARG A 87 76.933 67.217 13.143 1.00 17.30 C ATOM 753 C ARG A 87 78.162 68.045 13.525 1.00 17.87 C ATOM 754 O ARG A 87 78.458 69.042 12.854 1.00 17.24 O ATOM 755 CB ARG A 87 75.661 67.850 13.717 1.00 16.86 C ATOM 756 CG ARG A 87 74.369 67.336 13.049 1.00 17.29 C ATOM 757 CD ARG A 87 73.126 68.142 13.522 1.00 19.59 C ATOM 758 NE ARG A 87 72.970 68.038 14.968 1.00 17.33 N ATOM 759 CZ ARG A 87 73.376 68.953 15.853 1.00 18.40 C ATOM 760 NH1 ARG A 87 73.929 70.087 15.460 1.00 20.08 N ATOM 761 NH2 ARG A 87 73.224 68.722 17.148 1.00 17.26 N ATOM 762 HE ARG A 87 72.506 67.185 15.340 1.00 0.00 H ATOM 763 HH12 ARG A 87 74.238 70.786 16.165 1.00 0.00 H ATOM 764 HH11 ARG A 87 74.055 70.280 14.446 1.00 0.00 H ATOM 765 HH22 ARG A 87 73.538 69.430 17.843 1.00 0.00 H ATOM 766 HH21 ARG A 87 72.791 67.833 17.470 1.00 0.00 H ATOM 767 H ARG A 87 76.361 65.457 14.286 1.00 0.00 H ATOM 768 N ASN A 88 78.898 67.651 14.562 1.00 16.63 N ATOM 769 CA ASN A 88 80.084 68.414 14.929 1.00 20.31 C ATOM 770 C ASN A 88 81.096 68.427 13.792 1.00 23.54 C ATOM 771 O ASN A 88 81.829 69.411 13.620 1.00 20.92 O ATOM 772 CB ASN A 88 80.699 67.853 16.213 1.00 17.33 C ATOM 773 CG ASN A 88 81.412 66.528 15.984 1.00 21.64 C ATOM 774 OD1 ASN A 88 80.844 65.599 15.404 1.00 21.23 O ATOM 775 ND2 ASN A 88 82.672 66.450 16.410 1.00 21.57 N ATOM 776 HD22 ASN A 88 83.108 67.260 16.894 1.00 0.00 H ATOM 777 HD21 ASN A 88 83.219 65.579 16.258 1.00 0.00 H ATOM 778 H ASN A 88 78.629 66.806 15.105 1.00 0.00 H ATOM 779 N LEU A 89 81.121 67.374 12.972 1.00 19.71 N ATOM 780 CA LEU A 89 82.008 67.347 11.817 1.00 16.27 C ATOM 781 C LEU A 89 81.288 67.616 10.510 1.00 18.74 C ATOM 782 O LEU A 89 81.891 68.194 9.602 1.00 19.92 O ATOM 783 CB LEU A 89 82.741 66.003 11.724 1.00 16.51 C ATOM 784 CG LEU A 89 83.592 65.660 12.943 1.00 19.96 C ATOM 785 CD1 LEU A 89 84.365 64.381 12.670 1.00 22.83 C ATOM 786 CD2 LEU A 89 84.533 66.805 13.345 1.00 21.24 C ATOM 787 H LEU A 89 80.499 66.562 13.160 1.00 0.00 H ATOM 788 N LEU A 90 80.008 67.240 10.389 1.00 19.69 N ATOM 789 CA LEU A 90 79.270 67.573 9.180 1.00 14.01 C ATOM 790 C LEU A 90 79.247 69.081 8.943 1.00 21.14 C ATOM 791 O LEU A 90 79.304 69.531 7.796 1.00 22.51 O ATOM 792 CB LEU A 90 77.850 67.025 9.245 1.00 16.24 C ATOM 793 CG LEU A 90 77.708 65.500 9.346 1.00 16.63 C ATOM 794 CD1 LEU A 90 76.276 65.199 9.682 1.00 17.67 C ATOM 795 CD2 LEU A 90 78.120 64.775 8.081 1.00 19.84 C ATOM 796 H LEU A 90 79.544 66.712 11.156 1.00 0.00 H ATOM 797 N THR A 91 79.138 69.880 10.005 1.00 18.59 N ATOM 798 CA THR A 91 79.145 71.330 9.810 1.00 19.17 C ATOM 799 C THR A 91 80.486 71.802 9.275 1.00 19.73 C ATOM 800 O THR A 91 80.544 72.709 8.439 1.00 21.91 O ATOM 801 CB THR A 91 78.834 72.061 11.115 1.00 19.48 C ATOM 802 OG1 THR A 91 79.792 71.680 12.105 1.00 19.13 O ATOM 803 CG2 THR A 91 77.421 71.768 11.607 1.00 19.57 C ATOM 804 HG1 THR A 91 79.743 70.702 12.251 1.00 0.00 H ATOM 805 H THR A 91 79.049 69.478 10.960 1.00 0.00 H ATOM 806 N GLN A 92 81.575 71.194 9.738 1.00 18.08 N ATOM 807 CA GLN A 92 82.900 71.605 9.287 1.00 20.71 C ATOM 808 C GLN A 92 83.089 71.391 7.794 1.00 26.13 C ATOM 809 O GLN A 92 83.815 72.153 7.154 1.00 26.27 O ATOM 810 CB GLN A 92 83.981 70.854 10.055 1.00 19.80 C ATOM 811 CG GLN A 92 83.993 71.137 11.553 1.00 21.15 C ATOM 812 CD GLN A 92 85.355 70.890 12.173 1.00 22.01 C ATOM 813 OE1 GLN A 92 86.343 70.669 11.470 1.00 21.73 O ATOM 814 NE2 GLN A 92 85.414 70.925 13.495 1.00 24.01 N ATOM 815 HE22 GLN A 92 84.555 71.115 14.049 1.00 0.00 H ATOM 816 HE21 GLN A 92 86.320 70.762 13.980 1.00 0.00 H ATOM 817 H GLN A 92 81.481 70.420 10.426 1.00 0.00 H ATOM 818 N ILE A 93 82.472 70.362 7.215 1.00 23.15 N ATOM 819 CA ILE A 93 82.646 70.103 5.790 1.00 20.83 C ATOM 820 C ILE A 93 81.550 70.756 4.949 1.00 27.63 C ATOM 821 O ILE A 93 81.490 70.527 3.734 1.00 23.65 O ATOM 822 CB ILE A 93 82.747 68.596 5.503 1.00 25.74 C ATOM 823 CG1 ILE A 93 81.424 67.890 5.792 1.00 27.37 C ATOM 824 CG2 ILE A 93 83.908 68.008 6.313 1.00 23.30 C ATOM 825 CD1 ILE A 93 81.394 66.417 5.330 1.00 28.52 C ATOM 826 H ILE A 93 81.862 69.739 7.783 1.00 0.00 H ATOM 827 N GLY A 94 80.682 71.565 5.561 1.00 25.87 N ATOM 828 CA GLY A 94 79.701 72.326 4.805 1.00 21.56 C ATOM 829 C GLY A 94 78.441 71.572 4.472 1.00 32.71 C ATOM 830 O GLY A 94 77.717 71.974 3.550 1.00 25.15 O ATOM 831 H GLY A 94 80.708 71.652 6.597 1.00 0.00 H ATOM 832 N CYS A 95 78.139 70.505 5.202 1.00 25.99 N ATOM 833 CA CYS A 95 77.008 69.651 4.866 1.00 23.45 C ATOM 834 C CYS A 95 75.680 70.309 5.236 1.00 23.97 C ATOM 835 O CYS A 95 75.515 70.806 6.355 1.00 26.23 O ATOM 836 CB CYS A 95 77.163 68.318 5.593 1.00 26.35 C ATOM 837 SG CYS A 95 76.342 66.973 4.809 1.00 23.63 S ATOM 838 H CYS A 95 78.722 70.274 6.031 1.00 0.00 H ATOM 839 N THR A 96 74.733 70.317 4.286 1.00 21.52 N ATOM 840 CA THR A 96 73.353 70.718 4.526 1.00 23.75 C ATOM 841 C THR A 96 72.409 69.640 4.013 1.00 20.13 C ATOM 842 O THR A 96 72.759 68.826 3.155 1.00 25.27 O ATOM 843 CB THR A 96 72.969 72.041 3.826 1.00 26.17 C ATOM 844 OG1 THR A 96 73.118 71.881 2.407 1.00 25.78 O ATOM 845 CG2 THR A 96 73.826 73.209 4.345 1.00 29.04 C ATOM 846 HG1 THR A 96 74.059 71.654 2.199 1.00 0.00 H ATOM 847 H THR A 96 74.998 70.021 3.325 1.00 0.00 H ATOM 848 N LEU A 97 71.190 69.673 4.530 1.00 21.32 N ATOM 849 CA LEU A 97 70.090 68.892 3.996 1.00 22.44 C ATOM 850 C LEU A 97 69.240 69.791 3.113 1.00 28.11 C ATOM 851 O LEU A 97 69.036 70.962 3.432 1.00 25.37 O ATOM 852 CB LEU A 97 69.228 68.324 5.117 1.00 19.67 C ATOM 853 CG LEU A 97 69.849 67.207 5.953 1.00 17.58 C ATOM 854 CD1 LEU A 97 69.011 66.976 7.204 1.00 22.95 C ATOM 855 CD2 LEU A 97 69.922 65.959 5.107 1.00 23.69 C ATOM 856 H LEU A 97 71.014 70.284 5.353 1.00 0.00 H ATOM 857 N ASN A 98 68.731 69.239 2.014 1.00 23.47 N ATOM 858 CA ASN A 98 67.987 70.038 1.051 1.00 26.16 C ATOM 859 C ASN A 98 66.814 69.256 0.479 1.00 25.60 C ATOM 860 O ASN A 98 66.972 68.100 0.085 1.00 28.47 O ATOM 861 CB ASN A 98 68.919 70.493 -0.071 1.00 29.30 C ATOM 862 CG ASN A 98 70.040 71.381 0.442 1.00 33.59 C ATOM 863 OD1 ASN A 98 69.892 72.596 0.506 1.00 36.61 O ATOM 864 ND2 ASN A 98 71.154 70.772 0.829 1.00 29.99 N ATOM 865 HD22 ASN A 98 71.234 69.738 0.756 1.00 0.00 H ATOM 866 HD21 ASN A 98 71.947 71.329 1.205 1.00 0.00 H ATOM 867 H ASN A 98 68.867 68.223 1.841 1.00 0.00 H ATOM 868 N PHE A 99 65.649 69.893 0.435 1.00 34.56 N ATOM 869 CA PHE A 99 64.464 69.298 -0.165 1.00 43.43 C ATOM 870 C PHE A 99 63.406 70.358 -0.478 1.00 50.86 C ATOM 871 O PHE A 99 62.305 70.029 -0.924 1.00 50.30 O ATOM 872 CB PHE A 99 63.879 68.219 0.757 1.00 34.03 C ATOM 873 CG PHE A 99 63.278 68.743 2.019 1.00 35.66 C ATOM 874 CD1 PHE A 99 64.074 68.975 3.131 1.00 43.06 C ATOM 875 CD2 PHE A 99 61.915 68.960 2.120 1.00 39.76 C ATOM 876 CE1 PHE A 99 63.523 69.441 4.314 1.00 38.17 C ATOM 877 CE2 PHE A 99 61.355 69.417 3.299 1.00 47.38 C ATOM 878 CZ PHE A 99 62.161 69.658 4.400 1.00 48.67 C ATOM 879 OXT PHE A 99 63.614 71.563 -0.292 1.00 45.13 O ATOM 880 H PHE A 99 65.582 70.848 0.842 1.00 0.00 H TER 881 PHE A 99 ATOM 882 N PRO B 1 63.217 73.442 1.488 1.00 44.89 N ATOM 883 CA PRO B 1 64.185 74.382 2.065 1.00 44.78 C ATOM 884 C PRO B 1 65.568 73.782 2.237 1.00 40.14 C ATOM 885 O PRO B 1 65.749 72.590 1.995 1.00 41.39 O ATOM 886 CB PRO B 1 63.581 74.702 3.429 1.00 46.99 C ATOM 887 CG PRO B 1 62.880 73.436 3.810 1.00 46.21 C ATOM 888 CD PRO B 1 62.331 72.874 2.518 1.00 46.08 C ATOM 889 HN2 PRO B 1 63.734 72.668 1.023 1.00 0.00 H ATOM 890 HN1 PRO B 1 62.638 73.943 0.784 1.00 0.00 H ATOM 891 N GLN B 2 66.527 74.604 2.655 1.00 33.87 N ATOM 892 CA GLN B 2 67.873 74.152 2.985 1.00 34.27 C ATOM 893 C GLN B 2 68.045 74.192 4.493 1.00 37.98 C ATOM 894 O GLN B 2 67.785 75.223 5.122 1.00 36.46 O ATOM 895 CB GLN B 2 68.933 75.024 2.325 1.00 40.13 C ATOM 896 CG GLN B 2 70.329 74.749 2.853 1.00 35.90 C ATOM 897 CD GLN B 2 71.396 75.386 2.010 1.00 38.30 C ATOM 898 OE1 GLN B 2 71.886 76.469 2.331 1.00 45.50 O ATOM 899 NE2 GLN B 2 71.775 74.716 0.922 1.00 35.65 N ATOM 900 HE22 GLN B 2 71.331 73.804 0.692 1.00 0.00 H ATOM 901 HE21 GLN B 2 72.514 75.105 0.303 1.00 0.00 H ATOM 902 H GLN B 2 66.306 75.616 2.751 1.00 0.00 H ATOM 903 N ILE B 3 68.486 73.077 5.071 1.00 26.23 N ATOM 904 CA ILE B 3 68.603 72.948 6.521 1.00 32.31 C ATOM 905 C ILE B 3 70.076 72.793 6.869 1.00 34.09 C ATOM 906 O ILE B 3 70.737 71.855 6.408 1.00 28.02 O ATOM 907 CB ILE B 3 67.758 71.779 7.041 1.00 32.23 C ATOM 908 CG1 ILE B 3 66.296 72.025 6.650 1.00 37.11 C ATOM 909 CG2 ILE B 3 67.896 71.631 8.553 1.00 33.81 C ATOM 910 CD1 ILE B 3 65.365 70.913 6.990 1.00 43.99 C ATOM 911 H ILE B 3 68.756 72.272 4.471 1.00 0.00 H ATOM 912 N THR B 4 70.602 73.731 7.656 1.00 31.27 N ATOM 913 CA THR B 4 71.980 73.622 8.104 1.00 26.85 C ATOM 914 C THR B 4 72.025 72.770 9.366 1.00 20.36 C ATOM 915 O THR B 4 71.004 72.482 9.989 1.00 24.94 O ATOM 916 CB THR B 4 72.598 75.002 8.351 1.00 35.09 C ATOM 917 OG1 THR B 4 71.873 75.660 9.395 1.00 34.85 O ATOM 918 CG2 THR B 4 72.577 75.843 7.068 1.00 25.68 C ATOM 919 HG1 THR B 4 71.924 75.119 10.222 1.00 0.00 H ATOM 920 H THR B 4 70.024 74.544 7.951 1.00 0.00 H ATOM 921 N LEU B 5 73.224 72.328 9.728 1.00 22.36 N ATOM 922 CA LEU B 5 73.361 71.324 10.778 1.00 18.63 C ATOM 923 C LEU B 5 74.018 71.878 12.041 1.00 19.12 C ATOM 924 O LEU B 5 74.481 71.108 12.885 1.00 15.79 O ATOM 925 CB LEU B 5 74.127 70.115 10.233 1.00 21.08 C ATOM 926 CG LEU B 5 73.411 69.390 9.074 1.00 22.64 C ATOM 927 CD1 LEU B 5 74.313 68.365 8.430 1.00 17.59 C ATOM 928 CD2 LEU B 5 72.124 68.713 9.558 1.00 21.70 C ATOM 929 H LEU B 5 74.074 72.701 9.258 1.00 0.00 H ATOM 930 N TRP B 6 74.023 73.207 12.211 1.00 21.43 N ATOM 931 CA TRP B 6 74.497 73.791 13.462 1.00 20.49 C ATOM 932 C TRP B 6 73.692 73.278 14.647 1.00 23.08 C ATOM 933 O TRP B 6 74.214 73.125 15.757 1.00 20.17 O ATOM 934 CB TRP B 6 74.372 75.307 13.421 1.00 22.06 C ATOM 935 CG TRP B 6 75.225 76.034 12.458 1.00 20.22 C ATOM 936 CD1 TRP B 6 74.803 76.805 11.406 1.00 18.83 C ATOM 937 CD2 TRP B 6 76.651 76.125 12.476 1.00 18.23 C ATOM 938 NE1 TRP B 6 75.887 77.374 10.774 1.00 22.02 N ATOM 939 CE2 TRP B 6 77.029 76.977 11.417 1.00 23.12 C ATOM 940 CE3 TRP B 6 77.648 75.581 13.289 1.00 21.43 C ATOM 941 CZ2 TRP B 6 78.354 77.280 11.147 1.00 21.21 C ATOM 942 CZ3 TRP B 6 78.965 75.886 13.007 1.00 23.02 C ATOM 943 CH2 TRP B 6 79.301 76.724 11.947 1.00 21.85 C ATOM 944 HE1 TRP B 6 75.845 78.001 9.946 1.00 0.00 H ATOM 945 H TRP B 6 73.687 73.827 11.446 1.00 0.00 H ATOM 946 N LYS B 7 72.401 73.097 14.446 1.00 17.92 N ATOM 947 CA LYS B 7 71.509 72.568 15.449 1.00 16.77 C ATOM 948 C LYS B 7 70.847 71.332 14.860 1.00 21.12 C ATOM 949 O LYS B 7 70.935 71.070 13.657 1.00 17.04 O ATOM 950 CB LYS B 7 70.474 73.622 15.869 1.00 29.31 C ATOM 951 CG LYS B 7 69.636 74.143 14.716 1.00 38.94 C ATOM 952 CD LYS B 7 68.663 75.237 15.150 1.00 45.77 C ATOM 953 CE LYS B 7 67.701 75.603 14.021 1.00 44.99 C ATOM 954 NZ LYS B 7 66.742 76.675 14.428 1.00 54.13 N ATOM 955 HZ1 LYS B 7 66.181 76.347 15.240 1.00 0.00 H ATOM 956 HZ2 LYS B 7 67.272 77.530 14.694 1.00 0.00 H ATOM 957 HZ3 LYS B 7 66.108 76.892 13.632 1.00 0.00 H ATOM 958 H LYS B 7 72.006 73.348 13.517 1.00 0.00 H ATOM 959 N ARG B 8 70.191 70.576 15.722 1.00 19.41 N ATOM 960 CA ARG B 8 69.504 69.376 15.283 1.00 18.41 C ATOM 961 C ARG B 8 68.511 69.714 14.168 1.00 23.38 C ATOM 962 O ARG B 8 67.766 70.700 14.274 1.00 22.14 O ATOM 963 CB ARG B 8 68.776 68.726 16.455 1.00 19.16 C ATOM 964 CG ARG B 8 69.707 68.117 17.479 1.00 22.13 C ATOM 965 CD ARG B 8 68.954 67.366 18.570 1.00 25.92 C ATOM 966 NE ARG B 8 69.861 66.588 19.413 1.00 30.30 N ATOM 967 CZ ARG B 8 69.477 65.791 20.404 1.00 34.43 C ATOM 968 NH1 ARG B 8 68.188 65.650 20.708 1.00 29.62 N ATOM 969 NH2 ARG B 8 70.394 65.148 21.109 1.00 32.72 N ATOM 970 HE ARG B 8 70.881 66.664 19.223 1.00 0.00 H ATOM 971 HH12 ARG B 8 67.903 65.022 21.487 1.00 0.00 H ATOM 972 HH11 ARG B 8 67.466 66.168 20.167 1.00 0.00 H ATOM 973 HH22 ARG B 8 70.106 64.521 21.887 1.00 0.00 H ATOM 974 HH21 ARG B 8 71.402 65.270 20.885 1.00 0.00 H ATOM 975 H ARG B 8 70.167 70.844 16.727 1.00 0.00 H ATOM 976 N PRO B 9 68.467 68.920 13.085 1.00 15.94 N ATOM 977 CA PRO B 9 67.542 69.190 11.963 1.00 17.38 C ATOM 978 C PRO B 9 66.111 68.767 12.277 1.00 18.94 C ATOM 979 O PRO B 9 65.566 67.786 11.742 1.00 19.19 O ATOM 980 CB PRO B 9 68.168 68.383 10.828 1.00 19.21 C ATOM 981 CG PRO B 9 68.797 67.200 11.535 1.00 17.66 C ATOM 982 CD PRO B 9 69.385 67.809 12.780 1.00 17.37 C ATOM 983 N LEU B 10 65.487 69.529 13.174 1.00 19.21 N ATOM 984 CA LEU B 10 64.145 69.246 13.666 1.00 25.02 C ATOM 985 C LEU B 10 63.111 69.963 12.815 1.00 23.83 C ATOM 986 O LEU B 10 63.219 71.166 12.572 1.00 24.58 O ATOM 987 CB LEU B 10 63.998 69.686 15.123 1.00 23.12 C ATOM 988 CG LEU B 10 64.729 68.854 16.175 1.00 27.14 C ATOM 989 CD1 LEU B 10 64.614 69.515 17.556 1.00 32.02 C ATOM 990 CD2 LEU B 10 64.177 67.424 16.205 1.00 31.65 C ATOM 991 H LEU B 10 65.982 70.367 13.541 1.00 0.00 H ATOM 992 N VAL B 11 62.088 69.233 12.395 1.00 23.46 N ATOM 993 CA VAL B 11 61.034 69.801 11.574 1.00 21.40 C ATOM 994 C VAL B 11 59.700 69.339 12.138 1.00 28.81 C ATOM 995 O VAL B 11 59.632 68.400 12.926 1.00 23.03 O ATOM 996 CB VAL B 11 61.179 69.399 10.092 1.00 24.69 C ATOM 997 CG1 VAL B 11 62.480 69.954 9.525 1.00 31.43 C ATOM 998 CG2 VAL B 11 61.135 67.885 9.939 1.00 24.58 C ATOM 999 H VAL B 11 62.039 68.229 12.660 1.00 0.00 H ATOM 1000 N THR B 12 58.637 70.028 11.738 1.00 28.91 N ATOM 1001 CA THR B 12 57.287 69.653 12.128 1.00 31.67 C ATOM 1002 C THR B 12 56.723 68.646 11.139 1.00 29.93 C ATOM 1003 O THR B 12 56.868 68.799 9.924 1.00 29.32 O ATOM 1004 CB THR B 12 56.389 70.891 12.190 1.00 31.20 C ATOM 1005 OG1 THR B 12 56.967 71.826 13.096 1.00 26.48 O ATOM 1006 CG2 THR B 12 54.982 70.531 12.685 1.00 30.20 C ATOM 1007 HG1 THR B 12 57.869 72.079 12.776 1.00 0.00 H ATOM 1008 H THR B 12 58.774 70.859 11.128 1.00 0.00 H ATOM 1009 N ILE B 13 56.087 67.605 11.665 1.00 26.96 N ATOM 1010 CA ILE B 13 55.459 66.592 10.838 1.00 22.05 C ATOM 1011 C ILE B 13 53.997 66.473 11.255 1.00 31.30 C ATOM 1012 O ILE B 13 53.587 66.943 12.322 1.00 28.68 O ATOM 1013 CB ILE B 13 56.179 65.228 10.933 1.00 22.72 C ATOM 1014 CG1 ILE B 13 56.037 64.654 12.342 1.00 26.00 C ATOM 1015 CG2 ILE B 13 57.653 65.396 10.587 1.00 26.34 C ATOM 1016 CD1 ILE B 13 56.535 63.270 12.500 1.00 30.63 C ATOM 1017 H ILE B 13 56.038 67.514 12.700 1.00 0.00 H ATOM 1018 N LYS B 14 53.216 65.825 10.393 1.00 29.91 N ATOM 1019 CA LYS B 14 51.830 65.462 10.674 1.00 34.40 C ATOM 1020 C LYS B 14 51.675 63.959 10.477 1.00 30.49 C ATOM 1021 O LYS B 14 51.994 63.436 9.404 1.00 26.94 O ATOM 1022 CB LYS B 14 50.869 66.224 9.762 1.00 34.16 C ATOM 1023 H LYS B 14 53.615 65.563 9.469 1.00 0.00 H ATOM 1024 N ILE B 15 51.212 63.261 11.510 1.00 30.87 N ATOM 1025 CA ILE B 15 50.994 61.821 11.402 1.00 34.98 C ATOM 1026 C ILE B 15 49.821 61.423 12.275 1.00 33.89 C ATOM 1027 O ILE B 15 49.721 61.840 13.431 1.00 37.37 O ATOM 1028 CB ILE B 15 52.227 60.989 11.801 1.00 37.78 C ATOM 1029 CG1 ILE B 15 51.823 59.499 11.751 1.00 38.99 C ATOM 1030 CG2 ILE B 15 52.738 61.410 13.175 1.00 36.15 C ATOM 1031 CD1 ILE B 15 52.881 58.543 12.036 1.00 38.86 C ATOM 1032 H ILE B 15 51.003 63.747 12.406 1.00 0.00 H ATOM 1033 N GLY B 16 48.970 60.557 11.728 1.00 43.08 N ATOM 1034 CA GLY B 16 47.772 60.132 12.430 1.00 43.99 C ATOM 1035 C GLY B 16 46.909 61.289 12.871 1.00 37.83 C ATOM 1036 O GLY B 16 46.206 61.180 13.883 1.00 41.57 O ATOM 1037 H GLY B 16 49.167 60.178 10.780 1.00 0.00 H ATOM 1038 N GLY B 17 46.950 62.401 12.133 1.00 35.63 N ATOM 1039 CA GLY B 17 46.236 63.603 12.498 1.00 36.85 C ATOM 1040 C GLY B 17 46.896 64.461 13.556 1.00 42.90 C ATOM 1041 O GLY B 17 46.296 65.454 13.983 1.00 40.23 O ATOM 1042 H GLY B 17 47.518 62.402 11.262 1.00 0.00 H ATOM 1043 N GLN B 18 48.109 64.131 13.992 1.00 38.59 N ATOM 1044 CA GLN B 18 48.775 64.887 15.045 1.00 36.49 C ATOM 1045 C GLN B 18 50.028 65.568 14.512 1.00 32.63 C ATOM 1046 O GLN B 18 50.711 65.044 13.633 1.00 30.56 O ATOM 1047 CB GLN B 18 49.146 63.978 16.224 1.00 41.62 C ATOM 1048 CG GLN B 18 47.940 63.511 17.030 1.00 52.20 C ATOM 1049 CD GLN B 18 48.323 62.802 18.315 1.00 66.44 C ATOM 1050 OE1 GLN B 18 49.293 62.037 18.358 1.00 62.94 O ATOM 1051 NE2 GLN B 18 47.559 63.053 19.374 1.00 66.47 N ATOM 1052 HE22 GLN B 18 46.753 63.704 19.291 1.00 0.00 H ATOM 1053 HE21 GLN B 18 47.768 62.598 20.286 1.00 0.00 H ATOM 1054 H GLN B 18 48.594 63.313 13.571 1.00 0.00 H ATOM 1055 N LEU B 19 50.326 66.744 15.058 1.00 29.95 N ATOM 1056 CA LEU B 19 51.565 67.445 14.756 1.00 30.73 C ATOM 1057 C LEU B 19 52.634 67.090 15.779 1.00 33.92 C ATOM 1058 O LEU B 19 52.358 67.006 16.978 1.00 29.52 O ATOM 1059 CB LEU B 19 51.356 68.958 14.753 1.00 33.09 C ATOM 1060 CG LEU B 19 50.376 69.543 13.729 1.00 32.94 C ATOM 1061 CD1 LEU B 19 50.630 71.023 13.596 1.00 36.64 C ATOM 1062 CD2 LEU B 19 50.468 68.856 12.375 1.00 34.82 C ATOM 1063 H LEU B 19 49.652 67.176 15.722 1.00 0.00 H ATOM 1064 N LYS B 20 53.859 66.907 15.293 1.00 24.25 N ATOM 1065 CA LYS B 20 54.990 66.529 16.124 1.00 28.14 C ATOM 1066 C LYS B 20 56.252 67.142 15.534 1.00 23.83 C ATOM 1067 O LYS B 20 56.272 67.545 14.373 1.00 25.69 O ATOM 1068 CB LYS B 20 55.121 65.006 16.199 1.00 29.82 C ATOM 1069 CG LYS B 20 53.893 64.318 16.764 1.00 36.30 C ATOM 1070 CD LYS B 20 54.117 62.828 16.947 1.00 43.62 C ATOM 1071 CE LYS B 20 53.032 62.201 17.821 1.00 44.93 C ATOM 1072 NZ LYS B 20 52.945 62.856 19.163 1.00 49.75 N ATOM 1073 HZ1 LYS B 20 53.856 62.758 19.655 1.00 0.00 H ATOM 1074 HZ2 LYS B 20 52.722 63.865 19.041 1.00 0.00 H ATOM 1075 HZ3 LYS B 20 52.197 62.399 19.722 1.00 0.00 H ATOM 1076 H LYS B 20 54.014 67.040 14.273 1.00 0.00 H ATOM 1077 N GLU B 21 57.310 67.207 16.345 1.00 19.33 N ATOM 1078 CA GLU B 21 58.641 67.576 15.872 1.00 23.81 C ATOM 1079 C GLU B 21 59.479 66.314 15.688 1.00 18.98 C ATOM 1080 O GLU B 21 59.411 65.390 16.504 1.00 20.23 O ATOM 1081 CB GLU B 21 59.338 68.532 16.850 1.00 24.88 C ATOM 1082 H GLU B 21 57.181 66.986 17.353 1.00 0.00 H ATOM 1083 N ALA B 22 60.276 66.281 14.621 1.00 19.34 N ATOM 1084 CA ALA B 22 61.042 65.084 14.287 1.00 19.83 C ATOM 1085 C ALA B 22 62.375 65.455 13.649 1.00 23.60 C ATOM 1086 O ALA B 22 62.506 66.503 13.005 1.00 21.61 O ATOM 1087 CB ALA B 22 60.259 64.162 13.341 1.00 19.28 C ATOM 1088 H ALA B 22 60.354 67.123 14.015 1.00 0.00 H ATOM 1089 N LEU B 23 63.357 64.570 13.834 1.00 20.39 N ATOM 1090 CA LEU B 23 64.684 64.705 13.239 1.00 20.82 C ATOM 1091 C LEU B 23 64.695 64.180 11.812 1.00 22.12 C ATOM 1092 O LEU B 23 64.273 63.046 11.565 1.00 21.63 O ATOM 1093 CB LEU B 23 65.712 63.896 14.026 1.00 20.22 C ATOM 1094 CG LEU B 23 66.382 64.394 15.278 1.00 29.36 C ATOM 1095 CD1 LEU B 23 67.351 63.290 15.752 1.00 26.64 C ATOM 1096 CD2 LEU B 23 67.113 65.673 14.985 1.00 26.97 C ATOM 1097 H LEU B 23 63.167 63.741 14.433 1.00 0.00 H ATOM 1098 N LEU B 24 65.228 64.973 10.881 1.00 16.61 N ATOM 1099 CA LEU B 24 65.580 64.454 9.562 1.00 15.57 C ATOM 1100 C LEU B 24 66.911 63.717 9.698 1.00 21.58 C ATOM 1101 O LEU B 24 67.967 64.348 9.810 1.00 17.37 O ATOM 1102 CB LEU B 24 65.684 65.573 8.538 1.00 17.90 C ATOM 1103 CG LEU B 24 64.456 66.478 8.380 1.00 25.07 C ATOM 1104 CD1 LEU B 24 64.716 67.475 7.276 1.00 33.70 C ATOM 1105 CD2 LEU B 24 63.190 65.672 8.092 1.00 25.84 C ATOM 1106 H LEU B 24 65.395 65.976 11.098 1.00 0.00 H ATOM 1107 N ASP B 25 66.870 62.383 9.690 1.00 17.44 N ATOM 1108 CA ASP B 25 68.008 61.571 10.124 1.00 17.24 C ATOM 1109 C ASP B 25 68.524 60.669 9.001 1.00 20.21 C ATOM 1110 O ASP B 25 68.034 59.551 8.788 1.00 16.69 O ATOM 1111 CB ASP B 25 67.624 60.746 11.340 1.00 19.32 C ATOM 1112 CG ASP B 25 68.808 60.105 11.982 1.00 19.61 C ATOM 1113 OD1 ASP B 25 69.907 60.182 11.389 1.00 15.97 O ATOM 1114 OD2 ASP B 25 68.651 59.538 13.089 1.00 18.70 O ATOM 1115 H ASP B 25 66.004 61.906 9.366 1.00 0.00 H ATOM 1116 N THR B 26 69.578 61.123 8.336 1.00 18.59 N ATOM 1117 CA THR B 26 70.198 60.319 7.296 1.00 19.87 C ATOM 1118 C THR B 26 70.873 59.075 7.848 1.00 19.22 C ATOM 1119 O THR B 26 71.249 58.195 7.069 1.00 18.98 O ATOM 1120 CB THR B 26 71.228 61.151 6.536 1.00 19.63 C ATOM 1121 OG1 THR B 26 72.239 61.602 7.445 1.00 20.29 O ATOM 1122 CG2 THR B 26 70.572 62.332 5.892 1.00 21.55 C ATOM 1123 HG1 THR B 26 72.684 60.819 7.857 1.00 0.00 H ATOM 1124 H THR B 26 69.964 62.062 8.561 1.00 0.00 H ATOM 1125 N GLY B 27 71.070 58.991 9.158 1.00 17.43 N ATOM 1126 CA GLY B 27 71.661 57.810 9.736 1.00 18.16 C ATOM 1127 C GLY B 27 70.677 56.711 10.063 1.00 21.63 C ATOM 1128 O GLY B 27 71.087 55.666 10.566 1.00 19.45 O ATOM 1129 H GLY B 27 70.796 59.784 9.773 1.00 0.00 H ATOM 1130 N ALA B 28 69.384 56.930 9.831 1.00 21.20 N ATOM 1131 CA ALA B 28 68.343 55.955 10.132 1.00 17.11 C ATOM 1132 C ALA B 28 67.797 55.382 8.833 1.00 18.35 C ATOM 1133 O ALA B 28 67.337 56.137 7.968 1.00 19.43 O ATOM 1134 CB ALA B 28 67.218 56.603 10.939 1.00 21.32 C ATOM 1135 H ALA B 28 69.103 57.841 9.415 1.00 0.00 H ATOM 1136 N ASP B 29 67.834 54.049 8.696 1.00 20.59 N ATOM 1137 CA ASP B 29 67.220 53.422 7.522 1.00 16.39 C ATOM 1138 C ASP B 29 65.722 53.661 7.495 1.00 20.86 C ATOM 1139 O ASP B 29 65.144 53.931 6.439 1.00 21.86 O ATOM 1140 CB ASP B 29 67.458 51.921 7.506 1.00 16.23 C ATOM 1141 CG ASP B 29 68.915 51.537 7.402 1.00 21.68 C ATOM 1142 OD1 ASP B 29 69.769 52.352 7.006 1.00 21.89 O ATOM 1143 OD2 ASP B 29 69.198 50.382 7.730 1.00 26.86 O ATOM 1144 H ASP B 29 68.296 53.462 9.420 1.00 0.00 H ATOM 1145 N ASP B 30 65.075 53.545 8.647 1.00 19.97 N ATOM 1146 CA ASP B 30 63.632 53.623 8.758 1.00 18.99 C ATOM 1147 C ASP B 30 63.253 54.644 9.815 1.00 20.12 C ATOM 1148 O ASP B 30 64.101 55.167 10.550 1.00 18.08 O ATOM 1149 CB ASP B 30 63.033 52.256 9.087 1.00 26.16 C ATOM 1150 CG ASP B 30 62.955 51.370 7.862 1.00 35.21 C ATOM 1151 OD1 ASP B 30 62.186 51.695 6.918 1.00 32.41 O ATOM 1152 OD2 ASP B 30 63.695 50.377 7.840 1.00 31.91 O ATOM 1153 H ASP B 30 65.630 53.391 9.513 1.00 0.00 H ATOM 1154 N THR B 31 61.952 54.909 9.870 1.00 19.91 N ATOM 1155 CA THR B 31 61.379 55.995 10.644 1.00 22.06 C ATOM 1156 C THR B 31 60.868 55.449 11.969 1.00 20.57 C ATOM 1157 O THR B 31 60.193 54.409 12.007 1.00 17.99 O ATOM 1158 CB THR B 31 60.267 56.659 9.828 1.00 23.60 C ATOM 1159 OG1 THR B 31 60.857 57.326 8.708 1.00 21.19 O ATOM 1160 CG2 THR B 31 59.480 57.662 10.628 1.00 20.43 C ATOM 1161 HG1 THR B 31 61.338 56.666 8.148 1.00 0.00 H ATOM 1162 H THR B 31 61.306 54.302 9.326 1.00 0.00 H ATOM 1163 N VAL B 32 61.232 56.129 13.050 1.00 17.87 N ATOM 1164 CA VAL B 32 60.908 55.710 14.415 1.00 20.13 C ATOM 1165 C VAL B 32 60.221 56.874 15.107 1.00 25.97 C ATOM 1166 O VAL B 32 60.805 57.959 15.214 1.00 20.53 O ATOM 1167 CB VAL B 32 62.153 55.306 15.216 1.00 21.74 C ATOM 1168 CG1 VAL B 32 61.741 54.677 16.560 1.00 22.42 C ATOM 1169 CG2 VAL B 32 63.044 54.377 14.423 1.00 18.94 C ATOM 1170 H VAL B 32 61.776 57.006 12.920 1.00 0.00 H ATOM 1171 N LEU B 33 58.998 56.647 15.597 1.00 16.86 N ATOM 1172 CA LEU B 33 58.223 57.684 16.253 1.00 20.14 C ATOM 1173 C LEU B 33 57.928 57.344 17.706 1.00 24.88 C ATOM 1174 O LEU B 33 57.800 56.176 18.086 1.00 19.77 O ATOM 1175 CB LEU B 33 56.904 57.924 15.535 1.00 25.83 C ATOM 1176 CG LEU B 33 57.007 58.488 14.120 1.00 30.68 C ATOM 1177 CD1 LEU B 33 55.615 58.739 13.611 1.00 37.82 C ATOM 1178 CD2 LEU B 33 57.818 59.774 14.088 1.00 24.28 C ATOM 1179 H LEU B 33 58.588 55.696 15.505 1.00 0.00 H ATOM 1180 N GLU B 34 57.792 58.402 18.501 1.00 21.32 N ATOM 1181 CA GLU B 34 57.432 58.276 19.905 1.00 24.37 C ATOM 1182 C GLU B 34 56.149 57.474 20.059 1.00 24.37 C ATOM 1183 O GLU B 34 55.286 57.461 19.179 1.00 20.40 O ATOM 1184 CB GLU B 34 57.230 59.658 20.527 1.00 28.78 C ATOM 1185 CG GLU B 34 56.074 60.420 19.873 1.00 36.76 C ATOM 1186 CD GLU B 34 55.801 61.760 20.513 1.00 41.56 C ATOM 1187 OE1 GLU B 34 56.504 62.736 20.173 1.00 42.66 O ATOM 1188 OE2 GLU B 34 54.875 61.833 21.351 1.00 41.70 O ATOM 1189 H GLU B 34 57.948 59.351 18.106 1.00 0.00 H ATOM 1190 N GLU B 35 56.029 56.810 21.203 1.00 20.44 N ATOM 1191 CA GLU B 35 54.849 56.011 21.493 1.00 21.22 C ATOM 1192 C GLU B 35 53.573 56.788 21.192 1.00 27.47 C ATOM 1193 O GLU B 35 53.387 57.921 21.647 1.00 25.26 O ATOM 1194 CB GLU B 35 54.869 55.577 22.959 1.00 29.88 C ATOM 1195 CG GLU B 35 53.724 54.684 23.326 1.00 28.55 C ATOM 1196 CD GLU B 35 53.721 53.405 22.533 1.00 35.22 C ATOM 1197 OE1 GLU B 35 54.758 52.707 22.526 1.00 33.70 O ATOM 1198 OE2 GLU B 35 52.685 53.099 21.907 1.00 45.69 O ATOM 1199 H GLU B 35 56.794 56.863 21.905 1.00 0.00 H ATOM 1200 N MET B 36 52.702 56.172 20.405 1.00 31.76 N ATOM 1201 CA MET B 36 51.411 56.752 20.071 1.00 33.77 C ATOM 1202 C MET B 36 50.485 55.611 19.687 1.00 32.33 C ATOM 1203 O MET B 36 50.935 54.558 19.227 1.00 32.94 O ATOM 1204 CB MET B 36 51.526 57.781 18.939 1.00 30.05 C ATOM 1205 CG MET B 36 52.005 57.219 17.618 1.00 30.36 C ATOM 1206 SD MET B 36 52.356 58.516 16.385 1.00 36.32 S ATOM 1207 CE MET B 36 50.787 59.391 16.342 1.00 55.46 C ATOM 1208 H MET B 36 52.951 55.241 20.013 1.00 0.00 H ATOM 1209 N ASN B 37 49.186 55.834 19.870 1.00 34.52 N ATOM 1210 CA ASN B 37 48.191 54.768 19.770 1.00 40.39 C ATOM 1211 C ASN B 37 47.525 54.839 18.400 1.00 41.12 C ATOM 1212 O ASN B 37 46.381 55.269 18.249 1.00 45.36 O ATOM 1213 CB ASN B 37 47.174 54.888 20.903 1.00 50.11 C ATOM 1214 CG ASN B 37 46.647 53.544 21.354 1.00 52.86 C ATOM 1215 OD1 ASN B 37 45.734 52.989 20.747 1.00 57.27 O ATOM 1216 ND2 ASN B 37 47.220 53.013 22.427 1.00 59.75 N ATOM 1217 HD22 ASN B 37 47.990 53.519 22.909 1.00 0.00 H ATOM 1218 HD21 ASN B 37 46.899 52.091 22.785 1.00 0.00 H ATOM 1219 H ASN B 37 48.868 56.799 20.092 1.00 0.00 H ATOM 1220 N LEU B 38 48.263 54.399 17.391 1.00 34.26 N ATOM 1221 CA LEU B 38 47.785 54.401 16.021 1.00 40.41 C ATOM 1222 C LEU B 38 46.871 53.203 15.760 1.00 45.96 C ATOM 1223 O LEU B 38 47.078 52.123 16.321 1.00 41.42 O ATOM 1224 CB LEU B 38 48.955 54.351 15.050 1.00 36.37 C ATOM 1225 CG LEU B 38 49.732 55.621 14.734 1.00 41.10 C ATOM 1226 CD1 LEU B 38 50.861 55.266 13.783 1.00 33.79 C ATOM 1227 CD2 LEU B 38 48.840 56.705 14.128 1.00 47.76 C ATOM 1228 H LEU B 38 49.219 54.039 17.588 1.00 0.00 H ATOM 1229 N PRO B 39 45.865 53.361 14.904 1.00 40.21 N ATOM 1230 CA PRO B 39 45.014 52.224 14.545 1.00 44.81 C ATOM 1231 C PRO B 39 45.660 51.363 13.473 1.00 41.76 C ATOM 1232 O PRO B 39 46.548 51.792 12.738 1.00 43.28 O ATOM 1233 CB PRO B 39 43.737 52.890 14.016 1.00 43.44 C ATOM 1234 CG PRO B 39 44.209 54.181 13.442 1.00 41.40 C ATOM 1235 CD PRO B 39 45.389 54.617 14.291 1.00 45.42 C ATOM 1236 N GLY B 40 45.198 50.127 13.397 1.00 42.70 N ATOM 1237 CA GLY B 40 45.586 49.238 12.322 1.00 46.53 C ATOM 1238 C GLY B 40 46.465 48.098 12.804 1.00 43.31 C ATOM 1239 O GLY B 40 46.854 48.010 13.970 1.00 40.00 O ATOM 1240 H GLY B 40 44.540 49.785 14.126 1.00 0.00 H ATOM 1241 N ARG B 41 46.766 47.218 11.857 1.00 41.46 N ATOM 1242 CA ARG B 41 47.634 46.081 12.121 1.00 44.90 C ATOM 1243 C ARG B 41 49.072 46.543 12.347 1.00 40.37 C ATOM 1244 O ARG B 41 49.519 47.553 11.797 1.00 31.85 O ATOM 1245 CB ARG B 41 47.578 45.103 10.952 1.00 36.53 C ATOM 1246 H ARG B 41 46.372 47.344 10.903 1.00 0.00 H ATOM 1247 N TRP B 42 49.799 45.790 13.170 1.00 34.08 N ATOM 1248 CA TRP B 42 51.212 46.054 13.395 1.00 34.20 C ATOM 1249 C TRP B 42 51.910 44.748 13.735 1.00 32.79 C ATOM 1250 O TRP B 42 51.270 43.736 14.027 1.00 29.97 O ATOM 1251 CB TRP B 42 51.419 47.085 14.508 1.00 29.51 C ATOM 1252 CG TRP B 42 50.824 46.675 15.826 1.00 43.23 C ATOM 1253 CD1 TRP B 42 49.561 46.932 16.268 1.00 43.20 C ATOM 1254 CD2 TRP B 42 51.468 45.932 16.867 1.00 37.67 C ATOM 1255 NE1 TRP B 42 49.378 46.396 17.514 1.00 43.00 N ATOM 1256 CE2 TRP B 42 50.535 45.777 17.907 1.00 40.94 C ATOM 1257 CE3 TRP B 42 52.743 45.380 17.016 1.00 33.19 C ATOM 1258 CZ2 TRP B 42 50.836 45.094 19.087 1.00 38.25 C ATOM 1259 CZ3 TRP B 42 53.039 44.702 18.181 1.00 35.84 C ATOM 1260 CH2 TRP B 42 52.091 44.566 19.204 1.00 41.56 C ATOM 1261 HE1 TRP B 42 48.502 46.450 18.072 1.00 0.00 H ATOM 1262 H TRP B 42 49.346 44.994 13.664 1.00 0.00 H ATOM 1263 N LYS B 43 53.243 44.776 13.690 1.00 31.26 N ATOM 1264 CA LYS B 43 54.036 43.627 14.107 1.00 27.62 C ATOM 1265 C LYS B 43 55.202 44.090 14.974 1.00 29.34 C ATOM 1266 O LYS B 43 55.781 45.157 14.719 1.00 27.17 O ATOM 1267 CB LYS B 43 54.559 42.824 12.907 1.00 34.92 C ATOM 1268 CG LYS B 43 55.373 43.604 11.888 1.00 42.73 C ATOM 1269 CD LYS B 43 55.824 42.697 10.725 1.00 49.70 C ATOM 1270 CE LYS B 43 56.757 43.422 9.754 1.00 55.87 C ATOM 1271 NZ LYS B 43 57.310 42.544 8.675 1.00 56.84 N ATOM 1272 HZ1 LYS B 43 57.854 41.769 9.105 1.00 0.00 H ATOM 1273 HZ2 LYS B 43 56.527 42.150 8.115 1.00 0.00 H ATOM 1274 HZ3 LYS B 43 57.932 43.105 8.058 1.00 0.00 H ATOM 1275 H LYS B 43 53.725 45.633 13.351 1.00 0.00 H ATOM 1276 N PRO B 44 55.576 43.314 15.986 1.00 21.69 N ATOM 1277 CA PRO B 44 56.638 43.752 16.889 1.00 24.50 C ATOM 1278 C PRO B 44 58.010 43.570 16.265 1.00 23.36 C ATOM 1279 O PRO B 44 58.235 42.701 15.419 1.00 25.11 O ATOM 1280 CB PRO B 44 56.451 42.843 18.108 1.00 32.55 C ATOM 1281 CG PRO B 44 55.916 41.594 17.535 1.00 27.91 C ATOM 1282 CD PRO B 44 55.083 41.969 16.343 1.00 27.21 C ATOM 1283 N LYS B 45 58.934 44.417 16.702 1.00 20.72 N ATOM 1284 CA LYS B 45 60.287 44.416 16.182 1.00 18.00 C ATOM 1285 C LYS B 45 61.211 44.956 17.269 1.00 21.08 C ATOM 1286 O LYS B 45 60.786 45.687 18.167 1.00 23.63 O ATOM 1287 CB LYS B 45 60.351 45.257 14.892 1.00 26.07 C ATOM 1288 CG LYS B 45 61.596 45.085 14.048 1.00 35.02 C ATOM 1289 CD LYS B 45 61.482 45.933 12.764 1.00 42.63 C ATOM 1290 CE LYS B 45 62.787 45.941 11.962 1.00 50.33 C ATOM 1291 NZ LYS B 45 62.682 46.722 10.693 1.00 49.77 N ATOM 1292 HZ1 LYS B 45 61.942 46.307 10.092 1.00 0.00 H ATOM 1293 HZ2 LYS B 45 62.438 47.709 10.914 1.00 0.00 H ATOM 1294 HZ3 LYS B 45 63.593 46.692 10.193 1.00 0.00 H ATOM 1295 H LYS B 45 58.679 45.103 17.441 1.00 0.00 H ATOM 1296 N MET B 46 62.484 44.589 17.178 1.00 17.27 N ATOM 1297 CA MET B 46 63.546 45.142 18.017 1.00 22.29 C ATOM 1298 C MET B 46 64.511 45.903 17.117 1.00 21.01 C ATOM 1299 O MET B 46 64.928 45.377 16.077 1.00 22.37 O ATOM 1300 CB MET B 46 64.300 44.031 18.758 1.00 21.01 C ATOM 1301 CG MET B 46 63.494 43.296 19.815 1.00 29.89 C ATOM 1302 SD MET B 46 63.495 44.180 21.356 1.00 35.27 S ATOM 1303 CE MET B 46 65.118 43.779 22.023 1.00 37.44 C ATOM 1304 H MET B 46 62.739 43.869 16.472 1.00 0.00 H ATOM 1305 N ILE B 47 64.877 47.128 17.506 1.00 18.49 N ATOM 1306 CA ILE B 47 65.770 47.961 16.703 1.00 19.26 C ATOM 1307 C ILE B 47 66.898 48.459 17.592 1.00 17.44 C ATOM 1308 O ILE B 47 66.697 48.702 18.785 1.00 17.21 O ATOM 1309 CB ILE B 47 65.023 49.139 16.041 1.00 22.17 C ATOM 1310 CG1 ILE B 47 64.381 50.059 17.089 1.00 22.65 C ATOM 1311 CG2 ILE B 47 63.979 48.595 15.061 1.00 25.88 C ATOM 1312 CD1 ILE B 47 63.878 51.366 16.520 1.00 24.36 C ATOM 1313 H ILE B 47 64.515 47.500 18.407 1.00 0.00 H ATOM 1314 N GLY B 48 68.090 48.583 17.014 1.00 19.68 N ATOM 1315 CA GLY B 48 69.296 48.786 17.791 1.00 21.82 C ATOM 1316 C GLY B 48 70.063 50.039 17.405 1.00 21.04 C ATOM 1317 O GLY B 48 70.104 50.440 16.239 1.00 17.46 O ATOM 1318 H GLY B 48 68.158 48.533 15.977 1.00 0.00 H ATOM 1319 N GLY B 49 70.684 50.632 18.395 1.00 18.84 N ATOM 1320 CA GLY B 49 71.580 51.739 18.179 1.00 19.81 C ATOM 1321 C GLY B 49 72.551 51.823 19.328 1.00 21.85 C ATOM 1322 O GLY B 49 72.795 50.846 20.037 1.00 20.55 O ATOM 1323 H GLY B 49 70.525 50.293 19.365 1.00 0.00 H ATOM 1324 N ILE B 50 73.100 53.019 19.527 1.00 16.23 N ATOM 1325 CA ILE B 50 73.981 53.223 20.665 1.00 21.16 C ATOM 1326 C ILE B 50 73.206 52.926 21.936 1.00 22.51 C ATOM 1327 O ILE B 50 72.071 53.390 22.124 1.00 21.33 O ATOM 1328 CB ILE B 50 74.557 54.647 20.636 1.00 23.44 C ATOM 1329 CG1 ILE B 50 75.662 54.691 19.594 1.00 19.89 C ATOM 1330 CG2 ILE B 50 75.063 55.080 22.026 1.00 22.55 C ATOM 1331 CD1 ILE B 50 76.105 56.081 19.185 1.00 21.32 C ATOM 1332 H ILE B 50 72.900 53.802 18.873 1.00 0.00 H ATOM 1333 N GLY B 51 73.801 52.122 22.807 1.00 20.81 N ATOM 1334 CA GLY B 51 73.153 51.732 24.044 1.00 20.58 C ATOM 1335 C GLY B 51 72.277 50.493 23.947 1.00 23.57 C ATOM 1336 O GLY B 51 71.740 50.051 24.966 1.00 26.20 O ATOM 1337 H GLY B 51 74.754 51.763 22.598 1.00 0.00 H ATOM 1338 N GLY B 52 72.099 49.924 22.763 1.00 21.57 N ATOM 1339 CA GLY B 52 71.346 48.689 22.659 1.00 21.73 C ATOM 1340 C GLY B 52 70.021 48.835 21.945 1.00 20.00 C ATOM 1341 O GLY B 52 69.883 49.680 21.050 1.00 17.22 O ATOM 1342 H GLY B 52 72.499 50.363 21.909 1.00 0.00 H ATOM 1343 N PHE B 53 69.037 48.025 22.338 1.00 22.12 N ATOM 1344 CA PHE B 53 67.814 47.843 21.565 1.00 20.01 C ATOM 1345 C PHE B 53 66.593 48.360 22.317 1.00 20.31 C ATOM 1346 O PHE B 53 66.582 48.464 23.543 1.00 20.17 O ATOM 1347 CB PHE B 53 67.614 46.360 21.206 1.00 21.23 C ATOM 1348 CG PHE B 53 68.529 45.877 20.125 1.00 16.67 C ATOM 1349 CD1 PHE B 53 69.847 45.578 20.407 1.00 24.46 C ATOM 1350 CD2 PHE B 53 68.084 45.738 18.828 1.00 20.21 C ATOM 1351 CE1 PHE B 53 70.694 45.159 19.427 1.00 20.24 C ATOM 1352 CE2 PHE B 53 68.940 45.311 17.841 1.00 25.64 C ATOM 1353 CZ PHE B 53 70.241 45.025 18.142 1.00 22.05 C ATOM 1354 H PHE B 53 69.146 47.503 23.231 1.00 0.00 H ATOM 1355 N ILE B 54 65.556 48.696 21.557 1.00 19.43 N ATOM 1356 CA ILE B 54 64.236 48.970 22.111 1.00 16.93 C ATOM 1357 C ILE B 54 63.221 48.198 21.284 1.00 22.02 C ATOM 1358 O ILE B 54 63.455 47.871 20.115 1.00 17.99 O ATOM 1359 CB ILE B 54 63.861 50.473 22.144 1.00 18.20 C ATOM 1360 CG1 ILE B 54 63.935 51.099 20.758 1.00 17.21 C ATOM 1361 CG2 ILE B 54 64.734 51.211 23.140 1.00 20.64 C ATOM 1362 CD1 ILE B 54 63.209 52.447 20.656 1.00 23.51 C ATOM 1363 H ILE B 54 65.691 48.766 20.528 1.00 0.00 H ATOM 1364 N LYS B 55 62.094 47.900 21.906 1.00 18.92 N ATOM 1365 CA LYS B 55 61.012 47.184 21.246 1.00 23.84 C ATOM 1366 C LYS B 55 60.072 48.201 20.620 1.00 21.18 C ATOM 1367 O LYS B 55 59.688 49.188 21.264 1.00 20.67 O ATOM 1368 CB LYS B 55 60.259 46.290 22.238 1.00 24.73 C ATOM 1369 H LYS B 55 61.976 48.186 22.899 1.00 0.00 H ATOM 1370 N VAL B 56 59.719 47.974 19.358 1.00 18.19 N ATOM 1371 CA VAL B 56 58.842 48.876 18.636 1.00 20.25 C ATOM 1372 C VAL B 56 57.758 48.072 17.941 1.00 21.57 C ATOM 1373 O VAL B 56 57.835 46.852 17.815 1.00 22.17 O ATOM 1374 CB VAL B 56 59.609 49.740 17.618 1.00 23.59 C ATOM 1375 CG1 VAL B 56 60.596 50.650 18.353 1.00 25.13 C ATOM 1376 CG2 VAL B 56 60.319 48.866 16.591 1.00 17.18 C ATOM 1377 H VAL B 56 60.082 47.127 18.876 1.00 0.00 H ATOM 1378 N ARG B 57 56.726 48.783 17.511 1.00 21.91 N ATOM 1379 CA ARG B 57 55.654 48.217 16.711 1.00 19.66 C ATOM 1380 C ARG B 57 55.742 48.799 15.304 1.00 22.77 C ATOM 1381 O ARG B 57 55.755 50.022 15.127 1.00 21.59 O ATOM 1382 CB ARG B 57 54.307 48.510 17.354 1.00 23.33 C ATOM 1383 CG ARG B 57 54.274 48.140 18.840 1.00 29.91 C ATOM 1384 CD ARG B 57 52.864 48.213 19.398 1.00 40.44 C ATOM 1385 NE ARG B 57 52.222 49.495 19.100 1.00 37.69 N ATOM 1386 CZ ARG B 57 52.370 50.595 19.827 1.00 39.70 C ATOM 1387 NH1 ARG B 57 51.745 51.707 19.470 1.00 44.12 N ATOM 1388 NH2 ARG B 57 53.139 50.589 20.910 1.00 53.24 N ATOM 1389 HE ARG B 57 51.609 49.547 18.262 1.00 0.00 H ATOM 1390 HH12 ARG B 57 51.858 52.572 20.037 1.00 0.00 H ATOM 1391 HH11 ARG B 57 51.141 51.715 18.623 1.00 0.00 H ATOM 1392 HH22 ARG B 57 53.249 51.456 21.474 1.00 0.00 H ATOM 1393 HH21 ARG B 57 53.631 49.718 21.194 1.00 0.00 H ATOM 1394 H ARG B 57 56.682 49.792 17.758 1.00 0.00 H ATOM 1395 N GLN B 58 55.845 47.924 14.321 1.00 23.77 N ATOM 1396 CA GLN B 58 56.017 48.325 12.935 1.00 23.09 C ATOM 1397 C GLN B 58 54.648 48.442 12.278 1.00 31.18 C ATOM 1398 O GLN B 58 53.892 47.461 12.224 1.00 24.98 O ATOM 1399 CB GLN B 58 56.887 47.321 12.185 1.00 21.41 C ATOM 1400 CG GLN B 58 56.954 47.569 10.668 1.00 32.48 C ATOM 1401 CD GLN B 58 57.753 46.511 9.937 1.00 37.95 C ATOM 1402 OE1 GLN B 58 58.646 45.891 10.510 1.00 44.45 O ATOM 1403 NE2 GLN B 58 57.430 46.295 8.664 1.00 37.72 N ATOM 1404 HE22 GLN B 58 56.666 46.845 8.221 1.00 0.00 H ATOM 1405 HE21 GLN B 58 57.941 45.577 8.112 1.00 0.00 H ATOM 1406 H GLN B 58 55.801 46.910 14.547 1.00 0.00 H ATOM 1407 N TYR B 59 54.331 49.643 11.804 1.00 27.20 N ATOM 1408 CA TYR B 59 53.153 49.904 10.984 1.00 29.68 C ATOM 1409 C TYR B 59 53.599 50.171 9.553 1.00 33.61 C ATOM 1410 O TYR B 59 54.562 50.907 9.326 1.00 34.62 O ATOM 1411 CB TYR B 59 52.367 51.115 11.504 1.00 22.58 C ATOM 1412 CG TYR B 59 51.746 50.947 12.863 1.00 26.94 C ATOM 1413 CD1 TYR B 59 52.494 51.138 14.014 1.00 26.06 C ATOM 1414 CD2 TYR B 59 50.396 50.627 12.999 1.00 35.41 C ATOM 1415 CE1 TYR B 59 51.930 50.998 15.270 1.00 32.93 C ATOM 1416 CE2 TYR B 59 49.817 50.485 14.248 1.00 37.34 C ATOM 1417 CZ TYR B 59 50.590 50.673 15.380 1.00 41.91 C ATOM 1418 OH TYR B 59 50.027 50.533 16.624 1.00 41.30 O ATOM 1419 HH TYR B 59 49.288 51.184 16.726 1.00 0.00 H ATOM 1420 H TYR B 59 54.958 50.441 12.031 1.00 0.00 H ATOM 1421 N ASP B 60 52.896 49.584 8.591 1.00 30.09 N ATOM 1422 CA ASP B 60 53.194 49.784 7.181 1.00 34.41 C ATOM 1423 C ASP B 60 52.194 50.759 6.566 1.00 33.66 C ATOM 1424 O ASP B 60 51.065 50.911 7.044 1.00 32.59 O ATOM 1425 CB ASP B 60 53.175 48.451 6.419 1.00 41.20 C ATOM 1426 CG ASP B 60 54.391 47.581 6.724 1.00 50.44 C ATOM 1427 OD1 ASP B 60 55.424 48.125 7.171 1.00 54.50 O ATOM 1428 OD2 ASP B 60 54.325 46.351 6.508 1.00 54.18 O ATOM 1429 H ASP B 60 52.106 48.961 8.854 1.00 0.00 H ATOM 1430 N GLN B 61 52.641 51.453 5.516 1.00 37.83 N ATOM 1431 CA GLN B 61 51.778 52.342 4.723 1.00 38.50 C ATOM 1432 C GLN B 61 51.151 53.457 5.561 1.00 37.87 C ATOM 1433 O GLN B 61 49.954 53.744 5.463 1.00 39.00 O ATOM 1434 CB GLN B 61 50.698 51.533 4.004 1.00 47.11 C ATOM 1435 CG GLN B 61 51.268 50.560 2.990 1.00 45.91 C ATOM 1436 CD GLN B 61 52.154 51.259 1.978 1.00 54.28 C ATOM 1437 OE1 GLN B 61 53.374 51.084 1.971 1.00 54.80 O ATOM 1438 NE2 GLN B 61 51.544 52.084 1.133 1.00 60.96 N ATOM 1439 HE22 GLN B 61 50.511 52.201 1.175 1.00 0.00 H ATOM 1440 HE21 GLN B 61 52.099 52.612 0.430 1.00 0.00 H ATOM 1441 H GLN B 61 53.642 51.361 5.248 1.00 0.00 H ATOM 1442 N ILE B 62 51.981 54.131 6.354 1.00 30.76 N ATOM 1443 CA ILE B 62 51.537 55.248 7.183 1.00 31.04 C ATOM 1444 C ILE B 62 51.832 56.555 6.458 1.00 34.10 C ATOM 1445 O ILE B 62 52.938 56.752 5.946 1.00 36.24 O ATOM 1446 CB ILE B 62 52.231 55.243 8.553 1.00 32.08 C ATOM 1447 CG1 ILE B 62 51.950 53.936 9.302 1.00 31.37 C ATOM 1448 CG2 ILE B 62 51.794 56.465 9.373 1.00 30.73 C ATOM 1449 CD1 ILE B 62 50.497 53.720 9.633 1.00 36.26 C ATOM 1450 H ILE B 62 52.982 53.852 6.384 1.00 0.00 H ATOM 1451 N LEU B 63 50.864 57.466 6.457 1.00 35.66 N ATOM 1452 CA LEU B 63 51.015 58.760 5.804 1.00 34.66 C ATOM 1453 C LEU B 63 51.607 59.764 6.784 1.00 35.48 C ATOM 1454 O LEU B 63 51.044 60.002 7.859 1.00 37.73 O ATOM 1455 CB LEU B 63 49.667 59.255 5.280 1.00 37.61 C ATOM 1456 H LEU B 63 49.968 57.248 6.939 1.00 0.00 H ATOM 1457 N ILE B 64 52.739 60.348 6.414 1.00 35.68 N ATOM 1458 CA ILE B 64 53.366 61.418 7.176 1.00 38.34 C ATOM 1459 C ILE B 64 53.580 62.589 6.235 1.00 37.81 C ATOM 1460 O ILE B 64 54.038 62.407 5.101 1.00 45.15 O ATOM 1461 CB ILE B 64 54.714 60.986 7.805 1.00 40.40 C ATOM 1462 CG1 ILE B 64 54.490 59.923 8.877 1.00 46.27 C ATOM 1463 CG2 ILE B 64 55.445 62.195 8.399 1.00 38.88 C ATOM 1464 CD1 ILE B 64 55.722 59.628 9.744 1.00 42.40 C ATOM 1465 H ILE B 64 53.200 60.026 5.539 1.00 0.00 H ATOM 1466 N GLU B 65 53.272 63.790 6.708 1.00 27.96 N ATOM 1467 CA GLU B 65 53.584 65.015 5.987 1.00 35.48 C ATOM 1468 C GLU B 65 54.744 65.720 6.682 1.00 36.40 C ATOM 1469 O GLU B 65 54.700 65.939 7.900 1.00 32.53 O ATOM 1470 CB GLU B 65 52.363 65.926 5.916 1.00 26.87 C ATOM 1471 CG GLU B 65 52.508 67.078 4.952 1.00 37.67 C ATOM 1472 CD GLU B 65 51.227 67.866 4.824 1.00 36.29 C ATOM 1473 OE1 GLU B 65 50.207 67.268 4.414 1.00 45.27 O ATOM 1474 OE2 GLU B 65 51.235 69.065 5.157 1.00 40.05 O ATOM 1475 H GLU B 65 52.790 63.858 7.627 1.00 0.00 H ATOM 1476 N ILE B 66 55.773 66.062 5.907 1.00 32.37 N ATOM 1477 CA ILE B 66 57.026 66.623 6.415 1.00 37.19 C ATOM 1478 C ILE B 66 57.226 67.972 5.733 1.00 33.71 C ATOM 1479 O ILE B 66 57.551 68.031 4.539 1.00 38.40 O ATOM 1480 CB ILE B 66 58.224 65.692 6.157 1.00 39.95 C ATOM 1481 CG1 ILE B 66 58.047 64.357 6.876 1.00 36.96 C ATOM 1482 CG2 ILE B 66 59.525 66.324 6.634 1.00 44.26 C ATOM 1483 CD1 ILE B 66 58.473 63.139 6.052 1.00 34.93 C ATOM 1484 H ILE B 66 55.680 65.922 4.881 1.00 0.00 H ATOM 1485 N CYS B 67 57.026 69.058 6.482 1.00 38.51 N ATOM 1486 CA CYS B 67 57.177 70.413 5.942 1.00 38.84 C ATOM 1487 C CYS B 67 56.369 70.586 4.659 1.00 40.27 C ATOM 1488 O CYS B 67 56.829 71.173 3.678 1.00 44.05 O ATOM 1489 CB CYS B 67 58.655 70.757 5.712 1.00 48.92 C ATOM 1490 SG CYS B 67 59.484 71.480 7.156 1.00 64.60 S ATOM 1491 H CYS B 67 56.755 68.940 7.479 1.00 0.00 H ATOM 1492 N GLY B 68 55.139 70.076 4.667 1.00 45.37 N ATOM 1493 CA GLY B 68 54.257 70.214 3.535 1.00 34.49 C ATOM 1494 C GLY B 68 54.433 69.155 2.475 1.00 39.73 C ATOM 1495 O GLY B 68 53.616 69.087 1.544 1.00 42.84 O ATOM 1496 H GLY B 68 54.807 69.566 5.510 1.00 0.00 H ATOM 1497 N HIS B 69 55.474 68.338 2.576 1.00 30.82 N ATOM 1498 CA HIS B 69 55.693 67.245 1.647 1.00 30.58 C ATOM 1499 C HIS B 69 55.053 65.977 2.197 1.00 36.05 C ATOM 1500 O HIS B 69 55.345 65.565 3.325 1.00 35.03 O ATOM 1501 CB HIS B 69 57.193 67.035 1.413 1.00 30.38 C ATOM 1502 CG HIS B 69 57.868 68.186 0.726 1.00 33.70 C ATOM 1503 ND1 HIS B 69 58.361 68.103 -0.560 1.00 37.14 N ATOM 1504 CD2 HIS B 69 58.109 69.455 1.138 1.00 37.54 C ATOM 1505 CE1 HIS B 69 58.894 69.263 -0.904 1.00 37.98 C ATOM 1506 NE2 HIS B 69 58.749 70.103 0.105 1.00 31.38 N ATOM 1507 H HIS B 69 56.156 68.486 3.347 1.00 0.00 H ATOM 1508 N LYS B 70 54.188 65.358 1.400 1.00 37.08 N ATOM 1509 CA LYS B 70 53.559 64.104 1.795 1.00 32.68 C ATOM 1510 C LYS B 70 54.495 62.928 1.551 1.00 28.27 C ATOM 1511 O LYS B 70 55.289 62.926 0.609 1.00 32.10 O ATOM 1512 CB LYS B 70 52.254 63.900 1.030 1.00 34.33 C ATOM 1513 CG LYS B 70 51.335 65.112 1.087 1.00 42.00 C ATOM 1514 CD LYS B 70 49.872 64.771 0.821 1.00 45.26 C ATOM 1515 CE LYS B 70 48.936 65.889 1.290 1.00 41.83 C ATOM 1516 NZ LYS B 70 49.327 67.218 0.743 1.00 52.17 N ATOM 1517 HZ1 LYS B 70 50.291 67.451 1.057 1.00 0.00 H ATOM 1518 HZ2 LYS B 70 49.297 67.186 -0.296 1.00 0.00 H ATOM 1519 HZ3 LYS B 70 48.665 67.942 1.088 1.00 0.00 H ATOM 1520 H LYS B 70 53.956 65.777 0.477 1.00 0.00 H ATOM 1521 N ALA B 71 54.389 61.919 2.422 1.00 32.73 N ATOM 1522 CA ALA B 71 55.133 60.670 2.309 1.00 33.45 C ATOM 1523 C ALA B 71 54.294 59.560 2.926 1.00 31.42 C ATOM 1524 O ALA B 71 53.474 59.812 3.809 1.00 42.52 O ATOM 1525 CB ALA B 71 56.498 60.733 3.005 1.00 35.27 C ATOM 1526 H ALA B 71 53.739 62.031 3.226 1.00 0.00 H ATOM 1527 N ILE B 72 54.487 58.335 2.447 1.00 31.39 N ATOM 1528 CA ILE B 72 53.756 57.190 2.975 1.00 36.18 C ATOM 1529 C ILE B 72 54.690 55.990 3.019 1.00 27.18 C ATOM 1530 O ILE B 72 55.330 55.649 2.020 1.00 28.86 O ATOM 1531 CB ILE B 72 52.486 56.876 2.155 1.00 39.38 C ATOM 1532 CG1 ILE B 72 51.723 55.715 2.811 1.00 46.77 C ATOM 1533 CG2 ILE B 72 52.836 56.535 0.725 1.00 46.06 C ATOM 1534 CD1 ILE B 72 50.334 55.487 2.261 1.00 46.59 C ATOM 1535 H ILE B 72 55.174 58.191 1.680 1.00 0.00 H ATOM 1536 N GLY B 73 54.766 55.339 4.170 1.00 32.43 N ATOM 1537 CA GLY B 73 55.672 54.216 4.296 1.00 35.46 C ATOM 1538 C GLY B 73 55.660 53.638 5.690 1.00 27.47 C ATOM 1539 O GLY B 73 54.756 53.898 6.487 1.00 26.63 O ATOM 1540 H GLY B 73 54.179 55.632 4.977 1.00 0.00 H ATOM 1541 N THR B 74 56.690 52.851 5.967 1.00 28.05 N ATOM 1542 CA THR B 74 56.778 52.130 7.224 1.00 27.00 C ATOM 1543 C THR B 74 57.195 53.065 8.347 1.00 24.85 C ATOM 1544 O THR B 74 58.109 53.875 8.188 1.00 25.46 O ATOM 1545 CB THR B 74 57.772 50.980 7.089 1.00 35.28 C ATOM 1546 OG1 THR B 74 57.216 49.999 6.206 1.00 38.56 O ATOM 1547 CG2 THR B 74 58.067 50.333 8.442 1.00 32.95 C ATOM 1548 HG1 THR B 74 56.362 49.666 6.580 1.00 0.00 H ATOM 1549 H THR B 74 57.453 52.748 5.268 1.00 0.00 H ATOM 1550 N VAL B 75 56.511 52.946 9.482 1.00 22.55 N ATOM 1551 CA VAL B 75 56.817 53.690 10.696 1.00 21.01 C ATOM 1552 C VAL B 75 56.902 52.700 11.853 1.00 29.43 C ATOM 1553 O VAL B 75 56.069 51.793 11.973 1.00 25.71 O ATOM 1554 CB VAL B 75 55.756 54.774 10.963 1.00 29.22 C ATOM 1555 CG1 VAL B 75 56.012 55.480 12.263 1.00 39.06 C ATOM 1556 CG2 VAL B 75 55.746 55.787 9.803 1.00 32.33 C ATOM 1557 H VAL B 75 55.710 52.282 9.504 1.00 0.00 H ATOM 1558 N LEU B 76 57.925 52.860 12.685 1.00 23.09 N ATOM 1559 CA LEU B 76 58.113 52.059 13.889 1.00 23.57 C ATOM 1560 C LEU B 76 57.782 52.933 15.089 1.00 28.82 C ATOM 1561 O LEU B 76 58.232 54.083 15.164 1.00 24.30 O ATOM 1562 CB LEU B 76 59.550 51.530 13.976 1.00 17.65 C ATOM 1563 CG LEU B 76 60.065 50.826 12.706 1.00 25.62 C ATOM 1564 CD1 LEU B 76 61.567 50.599 12.708 1.00 25.03 C ATOM 1565 CD2 LEU B 76 59.365 49.493 12.549 1.00 26.03 C ATOM 1566 H LEU B 76 58.628 53.594 12.466 1.00 0.00 H ATOM 1567 N VAL B 77 56.988 52.402 16.017 1.00 20.24 N ATOM 1568 CA VAL B 77 56.487 53.179 17.144 1.00 20.41 C ATOM 1569 C VAL B 77 56.924 52.519 18.439 1.00 20.00 C ATOM 1570 O VAL B 77 56.707 51.320 18.638 1.00 25.44 O ATOM 1571 CB VAL B 77 54.956 53.324 17.093 1.00 19.96 C ATOM 1572 CG1 VAL B 77 54.441 54.019 18.338 1.00 22.34 C ATOM 1573 CG2 VAL B 77 54.566 54.122 15.846 1.00 24.23 C ATOM 1574 H VAL B 77 56.717 51.401 15.935 1.00 0.00 H ATOM 1575 N GLY B 78 57.512 53.311 19.323 1.00 27.07 N ATOM 1576 CA GLY B 78 57.946 52.821 20.604 1.00 22.98 C ATOM 1577 C GLY B 78 58.650 53.889 21.401 1.00 20.40 C ATOM 1578 O GLY B 78 58.614 55.075 21.063 1.00 21.57 O ATOM 1579 H GLY B 78 57.664 54.312 19.085 1.00 0.00 H ATOM 1580 N PRO B 79 59.314 53.479 22.487 1.00 19.60 N ATOM 1581 CA PRO B 79 59.900 54.429 23.449 1.00 23.93 C ATOM 1582 C PRO B 79 61.239 54.985 22.980 1.00 23.44 C ATOM 1583 O PRO B 79 62.262 54.862 23.647 1.00 23.96 O ATOM 1584 CB PRO B 79 60.026 53.573 24.716 1.00 23.22 C ATOM 1585 CG PRO B 79 60.277 52.208 24.196 1.00 20.22 C ATOM 1586 CD PRO B 79 59.493 52.080 22.915 1.00 22.71 C ATOM 1587 N THR B 80 61.235 55.604 21.797 1.00 27.44 N ATOM 1588 CA THR B 80 62.402 56.350 21.373 1.00 19.29 C ATOM 1589 C THR B 80 62.423 57.710 22.069 1.00 22.21 C ATOM 1590 O THR B 80 61.370 58.305 22.318 1.00 22.60 O ATOM 1591 CB THR B 80 62.403 56.548 19.857 1.00 23.72 C ATOM 1592 OG1 THR B 80 63.485 57.406 19.500 1.00 19.63 O ATOM 1593 CG2 THR B 80 61.088 57.179 19.357 1.00 22.91 C ATOM 1594 HG1 THR B 80 63.490 57.538 18.519 1.00 0.00 H ATOM 1595 H THR B 80 60.398 55.551 21.183 1.00 0.00 H ATOM 1596 N PRO B 81 63.605 58.228 22.404 1.00 24.92 N ATOM 1597 CA PRO B 81 63.655 59.566 23.008 1.00 26.61 C ATOM 1598 C PRO B 81 63.342 60.690 22.041 1.00 27.41 C ATOM 1599 O PRO B 81 63.046 61.807 22.485 1.00 25.80 O ATOM 1600 CB PRO B 81 65.089 59.660 23.535 1.00 27.99 C ATOM 1601 CG PRO B 81 65.860 58.709 22.750 1.00 28.35 C ATOM 1602 CD PRO B 81 64.928 57.587 22.383 1.00 23.81 C ATOM 1603 N VAL B 82 63.373 60.443 20.734 1.00 24.09 N ATOM 1604 CA VAL B 82 63.109 61.490 19.755 1.00 21.90 C ATOM 1605 C VAL B 82 62.423 60.879 18.548 1.00 19.55 C ATOM 1606 O VAL B 82 62.649 59.713 18.214 1.00 20.16 O ATOM 1607 CB VAL B 82 64.425 62.184 19.345 1.00 28.98 C ATOM 1608 CG1 VAL B 82 65.370 61.159 18.765 1.00 26.91 C ATOM 1609 CG2 VAL B 82 64.149 63.306 18.361 1.00 34.33 C ATOM 1610 H VAL B 82 63.591 59.481 20.403 1.00 0.00 H ATOM 1611 N ASN B 83 61.572 61.666 17.899 1.00 19.32 N ATOM 1612 CA ASN B 83 61.003 61.243 16.627 1.00 21.26 C ATOM 1613 C ASN B 83 62.065 61.356 15.540 1.00 23.71 C ATOM 1614 O ASN B 83 62.751 62.380 15.429 1.00 21.16 O ATOM 1615 CB ASN B 83 59.784 62.082 16.263 1.00 22.03 C ATOM 1616 CG ASN B 83 58.621 61.891 17.235 1.00 30.50 C ATOM 1617 OD1 ASN B 83 58.265 60.771 17.598 1.00 28.86 O ATOM 1618 ND2 ASN B 83 58.036 62.993 17.665 1.00 25.05 N ATOM 1619 HD22 ASN B 83 58.368 63.921 17.333 1.00 0.00 H ATOM 1620 HD21 ASN B 83 57.243 62.933 18.336 1.00 0.00 H ATOM 1621 H ASN B 83 61.311 62.589 18.301 1.00 0.00 H ATOM 1622 N ILE B 84 62.183 60.305 14.733 1.00 18.63 N ATOM 1623 CA ILE B 84 63.265 60.130 13.777 1.00 20.85 C ATOM 1624 C ILE B 84 62.650 59.857 12.411 1.00 22.73 C ATOM 1625 O ILE B 84 61.993 58.826 12.223 1.00 18.54 O ATOM 1626 CB ILE B 84 64.188 58.972 14.192 1.00 21.98 C ATOM 1627 CG1 ILE B 84 64.866 59.299 15.523 1.00 22.80 C ATOM 1628 CG2 ILE B 84 65.234 58.657 13.108 1.00 20.66 C ATOM 1629 CD1 ILE B 84 65.440 58.087 16.190 1.00 20.94 C ATOM 1630 H ILE B 84 61.457 59.563 14.789 1.00 0.00 H ATOM 1631 N ILE B 85 62.862 60.770 11.461 1.00 17.03 N ATOM 1632 CA ILE B 85 62.498 60.523 10.068 1.00 16.74 C ATOM 1633 C ILE B 85 63.699 59.924 9.363 1.00 19.74 C ATOM 1634 O ILE B 85 64.739 60.579 9.204 1.00 20.05 O ATOM 1635 CB ILE B 85 62.039 61.803 9.353 1.00 15.31 C ATOM 1636 CG1 ILE B 85 60.974 62.528 10.156 1.00 20.06 C ATOM 1637 CG2 ILE B 85 61.504 61.463 7.971 1.00 19.32 C ATOM 1638 CD1 ILE B 85 59.780 61.702 10.477 1.00 23.72 C ATOM 1639 H ILE B 85 63.297 61.679 11.719 1.00 0.00 H ATOM 1640 N GLY B 86 63.538 58.692 8.894 1.00 16.81 N ATOM 1641 CA GLY B 86 64.612 57.961 8.268 1.00 15.61 C ATOM 1642 C GLY B 86 64.518 57.959 6.753 1.00 15.93 C ATOM 1643 O GLY B 86 63.575 58.469 6.155 1.00 20.09 O ATOM 1644 H GLY B 86 62.606 58.239 8.981 1.00 0.00 H ATOM 1645 N ARG B 87 65.512 57.305 6.148 1.00 17.75 N ATOM 1646 CA ARG B 87 65.705 57.382 4.706 1.00 20.06 C ATOM 1647 C ARG B 87 64.497 56.856 3.941 1.00 22.98 C ATOM 1648 O ARG B 87 64.223 57.327 2.835 1.00 21.39 O ATOM 1649 CB ARG B 87 66.964 56.621 4.306 1.00 22.83 C ATOM 1650 CG ARG B 87 68.259 57.277 4.789 1.00 22.39 C ATOM 1651 CD ARG B 87 69.480 56.606 4.158 1.00 23.11 C ATOM 1652 NE ARG B 87 69.577 55.212 4.567 1.00 21.79 N ATOM 1653 CZ ARG B 87 69.201 54.155 3.844 1.00 25.56 C ATOM 1654 NH1 ARG B 87 68.715 54.283 2.617 1.00 25.89 N ATOM 1655 NH2 ARG B 87 69.322 52.950 4.362 1.00 21.37 N ATOM 1656 HE ARG B 87 69.976 55.023 5.509 1.00 0.00 H ATOM 1657 HH12 ARG B 87 68.431 53.439 2.080 1.00 0.00 H ATOM 1658 HH11 ARG B 87 68.618 55.227 2.192 1.00 0.00 H ATOM 1659 HH22 ARG B 87 69.034 52.116 3.812 1.00 0.00 H ATOM 1660 HH21 ARG B 87 69.706 52.833 5.321 1.00 0.00 H ATOM 1661 H ARG B 87 66.163 56.728 6.718 1.00 0.00 H ATOM 1662 N ASN B 88 63.755 55.898 4.508 1.00 19.00 N ATOM 1663 CA ASN B 88 62.574 55.393 3.807 1.00 22.68 C ATOM 1664 C ASN B 88 61.592 56.515 3.480 1.00 23.32 C ATOM 1665 O ASN B 88 60.912 56.458 2.453 1.00 22.47 O ATOM 1666 CB ASN B 88 61.879 54.274 4.616 1.00 25.31 C ATOM 1667 CG ASN B 88 61.172 54.779 5.864 1.00 22.58 C ATOM 1668 OD1 ASN B 88 61.728 55.552 6.638 1.00 24.19 O ATOM 1669 ND2 ASN B 88 59.931 54.332 6.067 1.00 21.62 N ATOM 1670 HD22 ASN B 88 59.496 53.677 5.386 1.00 0.00 H ATOM 1671 HD21 ASN B 88 59.399 54.638 6.906 1.00 0.00 H ATOM 1672 H ASN B 88 64.015 55.515 5.439 1.00 0.00 H ATOM 1673 N LEU B 89 61.512 57.551 4.316 1.00 23.87 N ATOM 1674 CA LEU B 89 60.643 58.682 4.037 1.00 21.55 C ATOM 1675 C LEU B 89 61.387 59.893 3.485 1.00 24.11 C ATOM 1676 O LEU B 89 60.814 60.636 2.684 1.00 24.06 O ATOM 1677 CB LEU B 89 59.876 59.094 5.298 1.00 20.10 C ATOM 1678 CG LEU B 89 58.960 58.025 5.906 1.00 24.37 C ATOM 1679 CD1 LEU B 89 58.192 58.570 7.078 1.00 23.89 C ATOM 1680 CD2 LEU B 89 57.986 57.482 4.870 1.00 23.27 C ATOM 1681 H LEU B 89 62.083 57.550 5.185 1.00 0.00 H ATOM 1682 N LEU B 90 62.655 60.090 3.870 1.00 20.14 N ATOM 1683 CA LEU B 90 63.433 61.210 3.346 1.00 23.74 C ATOM 1684 C LEU B 90 63.535 61.156 1.823 1.00 25.36 C ATOM 1685 O LEU B 90 63.474 62.195 1.152 1.00 25.27 O ATOM 1686 CB LEU B 90 64.827 61.213 3.977 1.00 19.83 C ATOM 1687 CG LEU B 90 64.908 61.446 5.499 1.00 16.05 C ATOM 1688 CD1 LEU B 90 66.341 61.294 5.997 1.00 17.97 C ATOM 1689 CD2 LEU B 90 64.376 62.781 5.910 1.00 19.93 C ATOM 1690 H LEU B 90 63.091 59.437 4.551 1.00 0.00 H ATOM 1691 N THR B 91 63.718 59.959 1.259 1.00 22.20 N ATOM 1692 CA THR B 91 63.735 59.825 -0.201 1.00 27.11 C ATOM 1693 C THR B 91 62.440 60.338 -0.816 1.00 29.27 C ATOM 1694 O THR B 91 62.455 61.016 -1.856 1.00 34.54 O ATOM 1695 CB THR B 91 63.959 58.368 -0.604 1.00 31.32 C ATOM 1696 OG1 THR B 91 62.970 57.532 0.006 1.00 32.76 O ATOM 1697 CG2 THR B 91 65.341 57.889 -0.187 1.00 30.42 C ATOM 1698 HG1 THR B 91 63.034 57.611 0.991 1.00 0.00 H ATOM 1699 H THR B 91 63.849 59.119 1.858 1.00 0.00 H ATOM 1700 N GLN B 92 61.312 60.051 -0.169 1.00 30.52 N ATOM 1701 CA GLN B 92 60.013 60.379 -0.744 1.00 27.61 C ATOM 1702 C GLN B 92 59.774 61.883 -0.811 1.00 33.48 C ATOM 1703 O GLN B 92 59.001 62.346 -1.660 1.00 30.84 O ATOM 1704 CB GLN B 92 58.907 59.697 0.065 1.00 29.16 C ATOM 1705 CG GLN B 92 58.963 58.166 0.015 1.00 29.89 C ATOM 1706 CD GLN B 92 57.754 57.517 0.669 1.00 29.47 C ATOM 1707 OE1 GLN B 92 56.710 58.143 0.821 1.00 34.68 O ATOM 1708 NE2 GLN B 92 57.911 56.275 1.104 1.00 31.47 N ATOM 1709 HE22 GLN B 92 58.814 55.782 0.953 1.00 0.00 H ATOM 1710 HE21 GLN B 92 57.131 55.794 1.596 1.00 0.00 H ATOM 1711 H GLN B 92 61.358 59.586 0.760 1.00 0.00 H ATOM 1712 N ILE B 93 60.399 62.665 0.070 1.00 29.34 N ATOM 1713 CA ILE B 93 60.199 64.107 0.071 1.00 24.10 C ATOM 1714 C ILE B 93 61.286 64.832 -0.713 1.00 29.96 C ATOM 1715 O ILE B 93 61.333 66.068 -0.699 1.00 37.67 O ATOM 1716 CB ILE B 93 60.100 64.667 1.498 1.00 29.17 C ATOM 1717 CG1 ILE B 93 61.435 64.528 2.241 1.00 27.88 C ATOM 1718 CG2 ILE B 93 58.966 63.979 2.247 1.00 29.45 C ATOM 1719 CD1 ILE B 93 61.449 65.233 3.577 1.00 26.12 C ATOM 1720 H ILE B 93 61.040 62.237 0.768 1.00 0.00 H ATOM 1721 N GLY B 94 62.166 64.098 -1.384 1.00 28.20 N ATOM 1722 CA GLY B 94 63.197 64.713 -2.193 1.00 31.69 C ATOM 1723 C GLY B 94 64.414 65.187 -1.436 1.00 38.31 C ATOM 1724 O GLY B 94 65.165 66.020 -1.956 1.00 31.11 O ATOM 1725 H GLY B 94 62.113 63.061 -1.327 1.00 0.00 H ATOM 1726 N CYS B 95 64.662 64.657 -0.239 1.00 28.67 N ATOM 1727 CA CYS B 95 65.732 65.170 0.609 1.00 29.75 C ATOM 1728 C CYS B 95 67.084 64.582 0.223 1.00 26.21 C ATOM 1729 O CYS B 95 67.210 63.370 0.016 1.00 28.29 O ATOM 1730 CB CYS B 95 65.430 64.870 2.075 1.00 31.27 C ATOM 1731 SG CYS B 95 66.607 65.607 3.227 1.00 29.19 S ATOM 1732 H CYS B 95 64.081 63.862 0.097 1.00 0.00 H ATOM 1733 N THR B 96 68.096 65.455 0.125 1.00 21.05 N ATOM 1734 CA THR B 96 69.462 65.081 -0.216 1.00 21.82 C ATOM 1735 C THR B 96 70.435 65.705 0.779 1.00 21.05 C ATOM 1736 O THR B 96 70.130 66.712 1.412 1.00 23.72 O ATOM 1737 CB THR B 96 69.881 65.540 -1.636 1.00 30.22 C ATOM 1738 OG1 THR B 96 69.733 66.965 -1.758 1.00 28.35 O ATOM 1739 CG2 THR B 96 69.061 64.836 -2.720 1.00 33.60 C ATOM 1740 HG1 THR B 96 70.307 67.414 -1.088 1.00 0.00 H ATOM 1741 H THR B 96 67.894 66.460 0.303 1.00 0.00 H ATOM 1742 N LEU B 97 71.608 65.082 0.914 1.00 23.19 N ATOM 1743 CA LEU B 97 72.745 65.673 1.605 1.00 29.57 C ATOM 1744 C LEU B 97 73.643 66.354 0.589 1.00 28.36 C ATOM 1745 O LEU B 97 73.918 65.799 -0.474 1.00 30.58 O ATOM 1746 CB LEU B 97 73.567 64.619 2.343 1.00 28.15 C ATOM 1747 CG LEU B 97 73.124 64.146 3.712 1.00 34.55 C ATOM 1748 CD1 LEU B 97 74.024 62.986 4.108 1.00 33.29 C ATOM 1749 CD2 LEU B 97 73.218 65.278 4.734 1.00 29.26 C ATOM 1750 H LEU B 97 71.714 64.131 0.507 1.00 0.00 H ATOM 1751 N ASN B 98 74.119 67.547 0.925 1.00 27.11 N ATOM 1752 CA ASN B 98 74.897 68.337 -0.020 1.00 30.74 C ATOM 1753 C ASN B 98 76.092 68.968 0.677 1.00 32.89 C ATOM 1754 O ASN B 98 75.942 69.560 1.748 1.00 26.72 O ATOM 1755 CB ASN B 98 74.022 69.419 -0.648 1.00 33.69 C ATOM 1756 CG ASN B 98 72.823 68.846 -1.373 1.00 37.56 C ATOM 1757 OD1 ASN B 98 71.816 68.478 -0.757 1.00 33.90 O ATOM 1758 ND2 ASN B 98 72.927 68.759 -2.688 1.00 33.07 N ATOM 1759 HD22 ASN B 98 73.794 69.081 -3.164 1.00 0.00 H ATOM 1760 HD21 ASN B 98 72.142 68.368 -3.247 1.00 0.00 H ATOM 1761 H ASN B 98 73.934 67.923 1.877 1.00 0.00 H ATOM 1762 N PHE B 99 77.270 68.836 0.069 1.00 36.36 N ATOM 1763 CA PHE B 99 78.476 69.492 0.569 1.00 37.98 C ATOM 1764 C PHE B 99 79.558 69.537 -0.502 1.00 50.24 C ATOM 1765 O PHE B 99 80.533 70.285 -0.381 1.00 43.26 O ATOM 1766 CB PHE B 99 79.002 68.788 1.830 1.00 29.83 C ATOM 1767 CG PHE B 99 79.560 67.408 1.593 1.00 36.57 C ATOM 1768 CD1 PHE B 99 78.752 66.287 1.714 1.00 37.77 C ATOM 1769 CD2 PHE B 99 80.898 67.227 1.312 1.00 38.54 C ATOM 1770 CE1 PHE B 99 79.268 65.026 1.529 1.00 37.92 C ATOM 1771 CE2 PHE B 99 81.412 65.963 1.119 1.00 42.89 C ATOM 1772 CZ PHE B 99 80.597 64.865 1.227 1.00 39.47 C ATOM 1773 OXT PHE B 99 79.480 68.832 -1.510 1.00 51.17 O ATOM 1774 H PHE B 99 77.333 68.249 -0.787 1.00 0.00 H TER 1775 PHE B 99 HETATM 1776 O HOH 1 65.205 49.808 9.467 1.00 32.91 O HETATM 1777 O HOH 2 69.374 71.897 11.637 1.00 29.17 O HETATM 1778 O HOH 3 82.095 70.837 -2.124 1.00 42.42 O HETATM 1779 O HOH 4 63.143 53.527 25.487 1.00 26.67 O HETATM 1780 O HOH 5 57.752 66.329 -2.141 1.00 31.81 O HETATM 1781 O HOH 6 50.689 66.049 18.542 1.00 48.54 O HETATM 1782 O HOH 7 56.227 64.242 -1.303 1.00 34.18 O HETATM 1783 O HOH 8 44.324 61.846 15.419 1.00 33.34 O HETATM 1784 O HOH 9 46.663 49.385 16.090 1.00 43.48 O HETATM 1785 O HOH 10 54.643 59.595 23.131 1.00 31.33 O HETATM 1786 O HOH 11 71.536 75.052 11.871 1.00 32.09 O HETATM 1787 O HOH 12 67.102 61.210 -1.467 1.00 27.35 O HETATM 1788 O HOH 13 58.523 52.543 4.113 1.00 30.26 O HETATM 1789 O HOH 14 66.949 72.345 16.187 1.00 27.81 O HETATM 1790 O HOH 15 57.410 48.944 22.637 1.00 34.11 O HETATM 1791 O HOH 16 48.749 59.168 9.032 1.00 39.38 O HETATM 1792 O HOH 17 71.278 55.501 6.723 1.00 20.27 O HETATM 1793 O HOH 18 64.367 66.731 -4.461 1.00 29.79 O HETATM 1794 O HOH 19 71.062 48.991 14.141 1.00 35.01 O HETATM 1795 O HOH 20 46.661 67.780 15.378 1.00 43.61 O HETATM 1796 O HOH 21 71.660 53.487 8.653 1.00 18.03 O HETATM 1797 O HOH 22 61.962 48.634 24.575 1.00 24.29 O HETATM 1798 O HOH 23 61.146 64.266 18.801 1.00 33.92 O HETATM 1799 O HOH 24 65.801 66.932 20.047 1.00 35.69 O HETATM 1800 O HOH 25 59.079 62.419 21.213 1.00 41.77 O HETATM 1801 O HOH 26 65.409 52.698 3.932 1.00 30.62 O HETATM 1802 O HOH 27 55.021 50.453 4.364 1.00 36.86 O HETATM 1803 O HOH 28 59.659 45.743 6.998 1.00 49.90 O HETATM 1804 O HOH 29 48.433 68.029 16.738 1.00 35.91 O HETATM 1805 O HOH 30 67.272 67.811 -2.907 1.00 35.51 O HETATM 1806 O HOH 31 76.973 73.524 16.337 1.00 36.11 O HETATM 1807 O HOH 32 64.900 61.987 -2.967 1.00 34.02 O HETATM 1808 O HOH 33 67.143 51.917 2.125 1.00 37.18 O HETATM 1809 O HOH 34 69.627 50.654 2.599 1.00 39.73 O HETATM 1810 O HOH 35 59.058 43.676 6.623 1.00 47.92 O HETATM 1811 O HOH 36 68.464 47.435 14.346 1.00 30.14 O HETATM 1812 O HOH 37 45.486 47.463 9.229 1.00 45.29 O HETATM 1813 O HOH 38 66.962 48.521 8.128 1.00 38.60 O HETATM 1814 O HOH 39 71.855 50.041 27.903 1.00 37.98 O HETATM 1815 O HOH 40 70.347 71.365 18.554 1.00 29.93 O HETATM 1816 O HOH 41 69.100 52.284 10.695 1.00 21.97 O HETATM 1817 O HOH 42 70.029 45.861 24.091 1.00 34.93 O HETATM 1818 O HOH 43 69.837 77.296 5.633 1.00 41.07 O HETATM 1819 O HOH 44 47.833 62.559 9.307 1.00 49.70 O HETATM 1820 O HOH 45 65.856 77.417 3.312 1.00 49.12 O HETATM 1821 O HOH 46 59.670 72.919 13.806 1.00 44.33 O HETATM 1822 O HOH 47 73.289 73.887 18.565 1.00 50.79 O HETATM 1823 O HOH 48 59.234 72.849 10.670 1.00 41.87 O HETATM 1824 O HOH 49 55.995 52.857 0.851 1.00 49.09 O HETATM 1825 O HOH 50 56.779 66.454 19.321 1.00 36.25 O HETATM 1826 O HOH 51 58.183 57.772 23.244 1.00 30.83 O HETATM 1827 O HOH 52 48.695 58.331 21.736 1.00 42.61 O HETATM 1828 O HOH 53 60.383 50.708 4.506 1.00 45.54 O HETATM 1829 O HOH 54 60.642 60.657 -4.517 1.00 37.61 O HETATM 1830 O HOH 55 53.571 48.279 23.230 1.00 48.51 O HETATM 1831 O HOH 56 41.969 50.152 14.286 1.00 51.20 O HETATM 1832 O HOH 57 68.073 75.635 8.922 1.00 39.76 O HETATM 1833 O HOH 58 61.104 47.921 7.871 1.00 46.42 O HETATM 1834 O HOH 59 46.309 68.391 2.049 1.00 48.28 O HETATM 1835 O HOH 60 53.871 69.508 7.923 1.00 43.65 O HETATM 1836 O HOH 61 64.837 46.049 25.435 1.00 41.23 O HETATM 1837 O HOH 62 74.440 78.183 4.345 1.00 43.75 O HETATM 1838 O HOH 63 68.949 49.138 4.278 1.00 41.81 O HETATM 1839 O HOH 64 55.336 47.916 22.189 1.00 43.03 O HETATM 1840 O HOH 65 70.663 50.107 11.127 1.00 35.95 O HETATM 1841 O HOH 66 77.518 71.428 16.022 1.00 42.82 O HETATM 1842 O HOH 67 67.273 73.479 11.771 1.00 33.28 O HETATM 1843 O HOH 68 67.942 63.076 23.689 1.00 48.40 O HETATM 1844 O HOH 69 59.556 63.516 23.829 1.00 55.36 O HETATM 1845 O HOH 70 68.629 71.714 19.423 1.00 37.32 O HETATM 1846 O HOH 71 76.473 77.965 6.665 1.00 34.68 O HETATM 1847 O HOH 72 54.812 70.787 16.669 1.00 41.25 O HETATM 1848 O HOH 73 58.631 52.133 2.251 1.00 48.63 O HETATM 1849 O HOH 74 76.124 72.761 -1.146 1.00 47.01 O HETATM 1850 O HOH 75 68.993 67.077 24.659 1.00 54.21 O HETATM 1851 O HOH 76 71.630 46.632 14.804 1.00 37.25 O HETATM 1852 O HOH 77 60.659 73.972 9.814 1.00 47.82 O HETATM 1853 O HOH 78 73.032 47.889 13.484 1.00 44.77 O HETATM 1854 O HOH 79 63.133 66.371 19.497 1.00 33.30 O HETATM 1855 O HOH 80 54.759 42.484 21.243 1.00 49.74 O HETATM 1856 O HOH 81 86.611 71.167 5.586 1.00 40.02 O HETATM 1857 O HOH 82 80.876 66.174 19.630 1.00 37.38 O HETATM 1858 O HOH 83 75.441 72.689 8.163 1.00 27.43 O HETATM 1859 O HOH 84 73.315 57.664 0.186 1.00 29.84 O HETATM 1860 O HOH 85 89.280 72.110 15.719 1.00 24.25 O HETATM 1861 O HOH 86 93.975 61.948 12.780 1.00 35.41 O HETATM 1862 O HOH 87 70.194 58.335 -6.526 1.00 30.77 O HETATM 1863 O HOH 88 76.164 50.416 22.084 1.00 23.95 O HETATM 1864 O HOH 89 75.237 64.347 22.630 1.00 43.39 O HETATM 1865 O HOH 90 86.280 52.540 14.426 1.00 36.73 O HETATM 1866 O HOH 91 73.517 51.611 29.398 1.00 28.38 O HETATM 1867 O HOH 92 71.053 65.830 15.107 1.00 16.00 O HETATM 1868 O HOH 93 71.433 55.288 18.761 1.00 17.30 O HETATM 1869 O HOH 94 71.087 56.876 -3.024 1.00 29.09 O HETATM 1870 O HOH 95 75.690 52.748 0.723 1.00 39.50 O HETATM 1871 O HOH 96 70.499 64.491 17.370 1.00 20.77 O HETATM 1872 O HOH 97 94.600 64.360 14.935 1.00 35.50 O HETATM 1873 O HOH 98 81.305 48.218 17.777 1.00 30.25 O HETATM 1874 O HOH 99 83.101 71.267 15.252 1.00 28.78 O HETATM 1875 O HOH 100 76.028 49.653 6.032 1.00 42.10 O HETATM 1876 O HOH 101 87.716 69.117 19.484 1.00 29.72 O HETATM 1877 O HOH 102 75.773 72.449 1.586 1.00 31.37 O HETATM 1878 O HOH 103 77.499 67.906 21.262 1.00 42.71 O HETATM 1879 O HOH 104 65.812 54.025 25.259 1.00 28.55 O HETATM 1880 O HOH 105 83.625 48.906 18.985 1.00 23.92 O HETATM 1881 O HOH 106 77.073 68.918 17.611 1.00 30.28 O HETATM 1882 O HOH 107 81.029 50.989 10.935 1.00 30.82 O HETATM 1883 O HOH 108 91.650 65.037 23.738 1.00 33.94 O HETATM 1884 O HOH 109 79.216 51.489 28.354 1.00 34.99 O HETATM 1885 O HOH 110 82.115 63.917 18.575 1.00 20.47 O HETATM 1886 O HOH 111 81.655 68.012 -4.761 1.00 49.94 O HETATM 1887 O HOH 112 80.437 46.783 12.716 1.00 50.51 O HETATM 1888 O HOH 113 74.057 71.284 18.252 1.00 35.74 O HETATM 1889 O HOH 114 76.739 65.274 -7.022 1.00 42.59 O HETATM 1890 O HOH 115 85.756 50.460 11.984 1.00 40.09 O HETATM 1891 O HOH 116 76.514 61.071 -5.247 1.00 54.75 O HETATM 1892 O HOH 117 83.917 68.947 17.404 1.00 22.68 O HETATM 1893 O HOH 118 67.729 74.041 -0.914 1.00 39.14 O HETATM 1894 O HOH 119 93.538 49.502 15.884 1.00 38.57 O HETATM 1895 O HOH 120 85.257 71.356 3.490 1.00 39.17 O HETATM 1896 O HOH 121 88.518 61.032 2.747 1.00 43.18 O HETATM 1897 O HOH 122 79.859 62.453 30.174 1.00 29.28 O HETATM 1898 O HOH 123 73.953 59.726 -4.589 1.00 37.34 O HETATM 1899 O HOH 124 72.270 50.757 1.600 1.00 31.88 O HETATM 1900 O HOH 125 93.359 62.512 8.138 1.00 39.48 O HETATM 1901 O HOH 126 76.970 63.558 28.222 1.00 44.54 O HETATM 1902 O HOH 127 69.346 59.195 24.719 1.00 36.69 O HETATM 1903 O HOH 128 96.850 64.750 4.306 1.00 46.21 O HETATM 1904 O HOH 129 71.086 61.368 24.040 1.00 45.56 O HETATM 1905 O HOH 130 83.451 57.491 -0.284 1.00 44.20 O HETATM 1906 O HOH 131 73.744 62.020 23.924 1.00 39.40 O HETATM 1907 O HOH 132 85.926 50.311 8.358 1.00 36.97 O HETATM 1908 O HOH 133 89.132 70.551 2.642 1.00 42.86 O HETATM 1909 O HOH 134 72.436 71.128 19.357 1.00 42.65 O HETATM 1910 O HOH 135 73.656 51.695 9.297 1.00 32.53 O HETATM 1911 O HOH 136 80.232 51.071 8.340 1.00 43.76 O HETATM 1912 O HOH 137 94.850 59.454 28.148 1.00 53.12 O HETATM 1913 O HOH 138 84.688 59.090 0.193 1.00 44.45 O HETATM 1914 O HOH 139 75.369 69.797 19.684 1.00 48.62 O HETATM 1915 O HOH 140 72.865 46.275 9.389 1.00 44.07 O HETATM 1916 O HOH 141 82.680 50.062 9.417 1.00 48.68 O HETATM 1917 O HOH 142 78.036 75.256 8.280 1.00 35.22 O HETATM 1918 O HOH 143 76.385 51.024 8.083 1.00 42.06 O HETATM 1919 O HOH 144 82.335 54.274 0.584 1.00 45.34 O HETATM 1920 O HOH 145 60.373 56.053 -3.459 1.00 45.67 O HETATM 1921 O HOH 146 81.371 65.627 23.003 1.00 41.92 O HETATM 1922 O HOH 147 65.092 53.385 1.249 1.00 42.52 O HETATM 1923 O HOH 148 100.837 59.955 22.479 1.00 48.38 O HETATM 1924 O HOH 149 92.944 52.701 25.707 1.00 48.55 O HETATM 1925 O HOH 150 96.167 58.129 28.669 1.00 57.62 O HETATM 1926 O HOH 151 87.716 51.244 3.892 1.00 48.92 O HETATM 1927 O HOH 152 81.224 72.919 16.092 1.00 37.60 O HETATM 1928 O HOH 153 73.844 49.718 1.907 1.00 39.33 O HETATM 1929 O HOH 154 79.121 61.396 -4.829 1.00 52.66 O HETATM 1930 O HOH 155 84.482 69.959 27.557 1.00 55.91 O HETATM 1931 O HOH 156 87.179 53.136 27.825 1.00 47.77 O HETATM 1932 O HOH 157 70.272 52.687 -5.276 1.00 56.29 O HETATM 1933 O HOH 158 89.850 45.539 22.415 1.00 50.58 O HETATM 1934 C13 NF A 4 73.330 53.822 13.058 1.00 -0.05 C HETATM 1935 C12 NF A 4 72.657 54.853 13.995 1.00 -0.02 C HETATM 1936 C11 NF A 4 71.127 54.710 13.913 1.00 0.03 C HETATM 1937 N10 NF A 4 70.426 55.686 14.765 1.00 -0.23 N HETATM 1938 C15 NF A 4 70.045 56.989 14.183 1.00 0.06 C HETATM 1939 C16 NF A 4 70.993 58.061 14.728 1.00 0.10 C HETATM 1940 C18 NF A 4 70.639 58.388 16.187 1.00 0.08 C HETATM 1941 C31 NF A 4 69.321 59.163 16.270 1.00 0.01 C HETATM 1942 C32 NF A 4 69.065 59.544 17.741 1.00 -0.04 C HETATM 1943 C33 NF A 4 68.713 58.474 18.753 1.00 -0.06 C HETATM 1944 C34 NF A 4 68.471 58.829 20.206 1.00 -0.07 C HETATM 1945 C35 NF A 4 68.554 60.271 20.647 1.00 -0.07 C HETATM 1946 C36 NF A 4 68.889 61.344 19.640 1.00 -0.07 C HETATM 1947 C37 NF A 4 69.143 60.987 18.180 1.00 -0.06 C HETATM 1948 H31 NF A 4 69.378 61.764 17.461 1.00 0.06 H HETATM 1949 H30 NF A 4 68.950 62.379 19.958 1.00 0.06 H HETATM 1950 H29 NF A 4 68.374 60.534 21.683 1.00 0.06 H HETATM 1951 H28 NF A 4 68.240 58.052 20.925 1.00 0.06 H HETATM 1952 H27 NF A 4 68.633 57.441 18.434 1.00 0.06 H HETATM 1953 H25 NF A 4 68.497 58.534 15.902 1.00 0.04 H HETATM 1954 H26 NF A 4 69.388 60.074 15.658 1.00 0.04 H HETATM 1955 N19 NF A 4 71.637 59.285 16.707 1.00 -0.26 N HETATM 1956 C20 NF A 4 72.628 58.918 17.697 1.00 0.32 C HETATM 1957 O21 NF A 4 72.643 57.866 18.273 1.00 -0.38 O HETATM 1958 O22 NF A 4 73.571 59.929 17.913 1.00 -0.26 O HETATM 1959 C23 NF A 4 74.550 59.820 19.039 1.00 0.12 C HETATM 1960 C24 NF A 4 75.640 60.282 18.656 1.00 0.08 C HETATM 1961 O25 NF A 4 75.531 61.791 18.862 1.00 -0.35 O HETATM 1962 C27 NF A 4 74.540 61.936 20.000 1.00 0.16 C HETATM 1963 C26 NF A 4 74.058 60.805 20.243 1.00 0.04 C HETATM 1964 C28 NF A 4 72.439 60.951 20.241 1.00 -0.02 C HETATM 1965 C29 NF A 4 72.148 62.026 19.515 1.00 0.05 C HETATM 1966 O30 NF A 4 73.370 62.855 19.490 1.00 -0.35 O HETATM 1967 H23 NF A 4 71.319 62.584 19.976 1.00 0.06 H HETATM 1968 H24 NF A 4 71.868 61.731 18.493 1.00 0.06 H HETATM 1969 H8 NF A 4 72.070 61.078 21.269 1.00 0.03 H HETATM 1970 H9 NF A 4 71.979 60.057 19.794 1.00 0.03 H HETATM 1971 H7 NF A 4 74.406 60.427 21.216 1.00 0.04 H HETATM 1972 H22 NF A 4 75.021 62.362 20.893 1.00 0.09 H HETATM 1973 H5 NF A 4 75.806 60.049 17.594 1.00 0.06 H HETATM 1974 H6 NF A 4 76.465 59.870 19.255 1.00 0.06 H HETATM 1975 H21 NF A 4 74.647 58.779 19.380 1.00 0.07 H HETATM 1976 H42 NF A 4 71.647 60.224 16.362 1.00 0.19 H HETATM 1977 H20 NF A 4 70.586 57.463 16.780 1.00 0.06 H HETATM 1978 O17 NF A 4 70.906 59.216 13.955 1.00 -0.39 O HETATM 1979 H43 NF A 4 71.126 59.010 13.054 1.00 0.21 H HETATM 1980 H19 NF A 4 72.024 57.679 14.687 1.00 0.06 H HETATM 1981 H3 NF A 4 70.127 56.944 13.087 1.00 0.05 H HETATM 1982 H4 NF A 4 69.010 57.232 14.464 1.00 0.05 H HETATM 1983 S07 NF A 4 69.228 55.042 15.817 1.00 0.07 S HETATM 1984 C04 NF A 4 68.149 54.057 14.785 1.00 0.10 C HETATM 1985 C03 NF A 4 67.093 54.797 13.983 1.00 -0.04 C HETATM 1986 C02 NF A 4 66.175 53.975 13.095 1.00 -0.06 C HETATM 1987 C01 NF A 4 66.364 52.488 13.022 1.00 -0.01 C HETATM 1988 C06 NF A 4 67.434 51.765 13.805 1.00 -0.06 C HETATM 1989 C05 NF A 4 68.344 52.564 14.718 1.00 -0.04 C HETATM 1990 H12 NF A 4 69.113 52.075 15.306 1.00 0.06 H HETATM 1991 H13 NF A 4 67.550 50.691 13.716 1.00 0.06 H HETATM 1992 C38 NF A 4 65.441 51.719 12.087 1.00 0.09 C HETATM 1993 C39 NF A 4 65.235 50.310 12.607 1.00 -0.03 C HETATM 1994 H33 NF A 4 64.567 49.762 11.926 1.00 0.03 H HETATM 1995 H34 NF A 4 64.783 50.351 13.609 1.00 0.03 H HETATM 1996 H35 NF A 4 66.205 49.794 12.663 1.00 0.03 H HETATM 1997 O40 NF A 4 66.118 51.735 10.878 1.00 -0.38 O HETATM 1998 H44 NF A 4 65.620 51.250 10.231 1.00 0.21 H HETATM 1999 H32 NF A 4 64.466 52.220 11.992 1.00 0.08 H HETATM 2000 H10 NF A 4 65.392 54.457 12.521 1.00 0.06 H HETATM 2001 H11 NF A 4 66.998 55.875 14.042 1.00 0.06 H HETATM 2002 O08 NF A 4 69.876 54.182 16.816 1.00 -0.15 O HETATM 2003 O09 NF A 4 68.449 56.109 16.423 1.00 -0.15 O HETATM 2004 H14 NF A 4 70.849 53.696 14.235 1.00 0.05 H HETATM 2005 H15 NF A 4 70.813 54.862 12.870 1.00 0.05 H HETATM 2006 C14 NF A 4 73.060 54.744 15.466 1.00 -0.05 C HETATM 2007 C41 NF A 4 74.573 54.775 15.720 1.00 -0.07 C HETATM 2008 H36 NF A 4 74.765 54.691 16.800 1.00 0.02 H HETATM 2009 H37 NF A 4 74.988 55.722 15.346 1.00 0.02 H HETATM 2010 H38 NF A 4 75.050 53.933 15.196 1.00 0.02 H HETATM 2011 H17 NF A 4 72.666 53.796 15.860 1.00 0.03 H HETATM 2012 H18 NF A 4 72.604 55.585 16.009 1.00 0.03 H HETATM 2013 H16 NF A 4 72.940 55.855 13.641 1.00 0.03 H HETATM 2014 C42 NF A 4 72.969 52.395 13.445 1.00 -0.07 C HETATM 2015 H39 NF A 4 73.464 51.693 12.759 1.00 0.02 H HETATM 2016 H40 NF A 4 71.879 52.262 13.382 1.00 0.02 H HETATM 2017 H41 NF A 4 73.303 52.199 14.475 1.00 0.02 H HETATM 2018 H1 NF A 4 74.422 53.943 13.119 1.00 0.03 H HETATM 2019 H2 NF A 4 72.998 54.007 12.026 1.00 0.03 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 882 883 888 889 890 CONECT 889 882 CONECT 890 882 CONECT 1934 1935 2014 2018 2019 CONECT 1935 1934 1936 2006 2013 CONECT 1936 1935 1937 2004 2005 CONECT 1937 1936 1938 1983 CONECT 1938 1937 1939 1981 1982 CONECT 1939 1938 1940 1978 1980 CONECT 1940 1939 1941 1955 1977 CONECT 1941 1940 1942 1953 1954 CONECT 1942 1941 1943 1947 CONECT 1943 1942 1944 1952 CONECT 1944 1943 1945 1951 CONECT 1945 1944 1946 1950 CONECT 1946 1945 1947 1949 CONECT 1947 1942 1946 1948 CONECT 1948 1947 CONECT 1949 1946 CONECT 1950 1945 CONECT 1951 1944 CONECT 1952 1943 CONECT 1953 1941 CONECT 1954 1941 CONECT 1955 1940 1956 1976 CONECT 1956 1955 1957 1958 CONECT 1957 1956 CONECT 1958 1956 1959 CONECT 1959 1958 1960 1963 1975 CONECT 1960 1959 1961 1973 1974 CONECT 1961 1960 1962 CONECT 1962 1961 1963 1966 1972 CONECT 1963 1959 1962 1964 1971 CONECT 1964 1963 1965 1969 1970 CONECT 1965 1964 1966 1967 1968 CONECT 1966 1962 1965 CONECT 1967 1965 CONECT 1968 1965 CONECT 1969 1964 CONECT 1970 1964 CONECT 1971 1963 CONECT 1972 1962 CONECT 1973 1960 CONECT 1974 1960 CONECT 1975 1959 CONECT 1976 1955 CONECT 1977 1940 CONECT 1978 1939 1979 CONECT 1979 1978 CONECT 1980 1939 CONECT 1981 1938 CONECT 1982 1938 CONECT 1983 1937 1984 2002 2003 CONECT 1984 1983 1985 1989 CONECT 1985 1984 1986 2001 CONECT 1986 1985 1987 2000 CONECT 1987 1986 1988 1992 CONECT 1988 1987 1989 1991 CONECT 1989 1984 1988 1990 CONECT 1990 1989 CONECT 1991 1988 CONECT 1992 1987 1993 1997 1999 CONECT 1993 1992 1994 1995 1996 CONECT 1994 1993 CONECT 1995 1993 CONECT 1996 1993 CONECT 1997 1992 1998 CONECT 1998 1997 CONECT 1999 1992 CONECT 2000 1986 CONECT 2001 1985 CONECT 2002 1983 CONECT 2003 1983 CONECT 2004 1936 CONECT 2005 1936 CONECT 2006 1935 2007 2011 2012 CONECT 2007 2006 2008 2009 2010 CONECT 2008 2007 CONECT 2009 2007 CONECT 2010 2007 CONECT 2011 2006 CONECT 2012 2006 CONECT 2013 1935 CONECT 2014 1934 2015 2016 2017 CONECT 2015 2014 CONECT 2016 2014 CONECT 2017 2014 CONECT 2018 1934 CONECT 2019 1934 MASTER 0 0 0 0 0 0 0 0 2017 2 92 16 END
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Structure:
Ligand 2D
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Protein
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Related entries of code: 6oxv
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1eby
RCSB PDB
PDBbind
99aa, >1EBY_1|Chains... at 90%
1hxw
RCSB PDB
PDBbind
99aa, >1HXW_1|Chains... at 90%
1izh
RCSB PDB
PDBbind
99aa, >1IZH_1|Chains... at 90%
1k6c
RCSB PDB
PDBbind
99aa, >1K6C_1|Chains... at 91%
1k6p
RCSB PDB
PDBbind
99aa, >1K6P_1|Chains... at 91%
1k6t
RCSB PDB
PDBbind
99aa, >1K6T_1|Chains... at 91%
1k6v
RCSB PDB
PDBbind
99aa, >1K6V_1|Chains... at 91%
1pro
RCSB PDB
PDBbind
99aa, >1PRO_1|Chains... at 90%
1sbg
RCSB PDB
PDBbind
99aa, >1SBG_1|Chains... at 90%
1t7j
RCSB PDB
PDBbind
99aa, >1T7J_1|Chains... at 91%
1vij
RCSB PDB
PDBbind
99aa, >1VIJ_1|Chains... at 90%
1vik
RCSB PDB
PDBbind
99aa, >1VIK_1|Chains... at 90%
1zp8
RCSB PDB
PDBbind
99aa, >1ZP8_1|Chain... at 90%
1zpa
RCSB PDB
PDBbind
99aa, >1ZPA_1|Chain... at 90%
2az8
RCSB PDB
PDBbind
99aa, >2AZ8_1|Chain... at 91%
2az9
RCSB PDB
PDBbind
99aa, >2AZ9_1|Chain... at 90%
2i4d
RCSB PDB
PDBbind
99aa, >2I4D_1|Chains... at 90%
2i4u
RCSB PDB
PDBbind
99aa, >2I4U_1|Chains... at 90%
2i4w
RCSB PDB
PDBbind
99aa, >2I4W_1|Chains... at 90%
2o4k
RCSB PDB
PDBbind
99aa, >2O4K_1|Chains... at 90%
2o4p
RCSB PDB
PDBbind
99aa, >2O4P_1|Chains... at 90%
2o4s
RCSB PDB
PDBbind
99aa, >2O4S_1|Chains... at 90%
2p3b
RCSB PDB
PDBbind
99aa, >2P3B_2|Chain... at 90%
3ekp
RCSB PDB
PDBbind
99aa, >3EKP_1|Chains... at 90%
3ekq
RCSB PDB
PDBbind
99aa, >3EKQ_1|Chains... at 90%
3ekt
RCSB PDB
PDBbind
99aa, >3EKT_1|Chains... at 90%
3ekw
RCSB PDB
PDBbind
99aa, >3EKW_1|Chains... at 90%
3el0
RCSB PDB
PDBbind
99aa, >3EL0_1|Chains... at 90%
3el4
RCSB PDB
PDBbind
99aa, >3EL4_1|Chains... at 92%
3el5
RCSB PDB
PDBbind
99aa, >3EL5_1|Chains... at 91%
3kfn
RCSB PDB
PDBbind
99aa, >3KFN_1|Chains... at 91%
3m9f
RCSB PDB
PDBbind
99aa, >3M9F_1|Chains... at 90%
3tlh
RCSB PDB
PDBbind
99aa, >3TLH_1|Chain... at 90%
4eqj
RCSB PDB
PDBbind
203aa, >4EQJ_1|Chain... *
4ll3
RCSB PDB
PDBbind
99aa, >4LL3_1|Chains... at 90%
4phv
RCSB PDB
PDBbind
99aa, >4PHV_1|Chains... at 90%
5hvp
RCSB PDB
PDBbind
99aa, >5HVP_1|Chains... at 90%
5ivs
RCSB PDB
PDBbind
99aa, >5IVS_1|Chains... at 90%
6dgx
RCSB PDB
PDBbind
99aa, >6DGX_1|Chains... at 91%
6dgy
RCSB PDB
PDBbind
99aa, >6DGY_1|Chains... at 91%
6dgz
RCSB PDB
PDBbind
99aa, >6DGZ_1|Chains... at 91%
6dh0
RCSB PDB
PDBbind
99aa, >6DH0_1|Chains... at 90%
6dh1
RCSB PDB
PDBbind
99aa, >6DH1_1|Chains... at 90%
6dh2
RCSB PDB
PDBbind
99aa, >6DH2_1|Chains... at 90%
6dh3
RCSB PDB
PDBbind
99aa, >6DH3_1|Chains... at 90%
6dh4
RCSB PDB
PDBbind
99aa, >6DH4_1|Chains... at 90%
6dh5
RCSB PDB
PDBbind
99aa, >6DH5_1|Chains... at 90%
6dh6
RCSB PDB
PDBbind
99aa, >6DH6_1|Chains... at 90%
6dh7
RCSB PDB
PDBbind
99aa, >6DH7_1|Chains... at 90%
6dh8
RCSB PDB
PDBbind
99aa, >6DH8_1|Chains... at 90%
9hvp
RCSB PDB
PDBbind
99aa, >9HVP_1|Chains... at 90%
6oy2
RCSB PDB
PDBbind
99aa, >6OY2_1|Chains... at 91%
6oy0
RCSB PDB
PDBbind
99aa, >6OY0_1|Chains... at 91%
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%
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
6oxv
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
HIV-1 Protease NL4-3 WT
Ligand Name
NF4
EC.Number
E.C.-.-.-.-
Resolution
1.99(Å)
Affinity (Kd/Ki/IC50)
Ki=0.020nM
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
1
H
4
4
N
2
O
8
S
Molecular Weight
604.755
Exact Mass
604.282
No. of atoms
86
No. of bonds
89
Polar Surface Area
143.01
LOGP Value
3.85 (
Computed with XLOGP3
)
5.10 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 18
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 4
Canonical SMILES
CCC(CN(S(=O)(=O)c1ccc(cc1)[C@@H](O)C)C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2[C@H]1CCO2)O)CC
InChI String
InChI=1S/C31H44N2O8S/c1-4-22(5-2)18-33(42(37,38)25-13-11-24(12-14-25)21(3)34)19-28(35)27(17-23-9-7-6-8-10-23)32-31(36)41-29-20-40-30-26(29)15-16-39-30/h6-14,21-22,26-30,34-35H,4-5,15-20H2,1-3H3,(H,32,36)/t21-,26-,27-,28+,29-,30+/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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