Browse entries in the PDBbind-CN Database
HEADER 6OXQ_COMPLEX COMPND 6OXQ_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 F A 53 83 ATOM 1 N PRO A 1 79.438 65.808 -3.330 1.00 47.64 N ATOM 2 CA PRO A 1 78.468 64.973 -4.046 1.00 45.75 C ATOM 3 C PRO A 1 77.049 65.108 -3.502 1.00 42.78 C ATOM 4 O PRO A 1 76.856 65.654 -2.415 1.00 36.24 O ATOM 5 CB PRO A 1 78.998 63.556 -3.819 1.00 45.25 C ATOM 6 CG PRO A 1 79.706 63.637 -2.507 1.00 41.38 C ATOM 7 CD PRO A 1 80.320 65.007 -2.462 1.00 40.94 C ATOM 8 HN2 PRO A 1 78.922 66.495 -2.743 1.00 0.00 H ATOM 9 HN1 PRO A 1 80.021 66.316 -4.025 1.00 0.00 H ATOM 10 N GLN A 2 76.072 64.621 -4.261 1.00 34.43 N ATOM 11 CA GLN A 2 74.699 64.484 -3.790 1.00 29.95 C ATOM 12 C GLN A 2 74.439 63.012 -3.507 1.00 39.58 C ATOM 13 O GLN A 2 74.690 62.158 -4.364 1.00 32.46 O ATOM 14 CB GLN A 2 73.702 65.022 -4.820 1.00 39.23 C ATOM 15 CG GLN A 2 72.245 64.889 -4.406 1.00 28.08 C ATOM 16 CD GLN A 2 71.320 65.769 -5.231 1.00 41.88 C ATOM 17 OE1 GLN A 2 70.924 66.849 -4.796 1.00 41.60 O ATOM 18 NE2 GLN A 2 70.975 65.310 -6.428 1.00 40.34 N ATOM 19 HE22 GLN A 2 71.334 64.390 -6.756 1.00 0.00 H ATOM 20 HE21 GLN A 2 70.346 65.870 -7.038 1.00 0.00 H ATOM 21 H GLN A 2 76.297 64.325 -5.232 1.00 0.00 H ATOM 22 N ILE A 3 73.957 62.716 -2.303 1.00 29.19 N ATOM 23 CA ILE A 3 73.809 61.345 -1.827 1.00 28.89 C ATOM 24 C ILE A 3 72.332 61.074 -1.595 1.00 30.00 C ATOM 25 O ILE A 3 71.704 61.704 -0.733 1.00 22.05 O ATOM 26 CB ILE A 3 74.620 61.101 -0.543 1.00 27.83 C ATOM 27 CG1 ILE A 3 76.114 61.285 -0.828 1.00 31.78 C ATOM 28 CG2 ILE A 3 74.351 59.704 0.010 1.00 31.26 C ATOM 29 CD1 ILE A 3 77.004 61.237 0.399 1.00 29.32 C ATOM 30 H ILE A 3 73.674 63.495 -1.675 1.00 0.00 H ATOM 31 N THR A 4 71.780 60.137 -2.355 1.00 27.56 N ATOM 32 CA THR A 4 70.435 59.663 -2.089 1.00 21.87 C ATOM 33 C THR A 4 70.463 58.662 -0.937 1.00 20.66 C ATOM 34 O THR A 4 71.518 58.170 -0.529 1.00 23.48 O ATOM 35 CB THR A 4 69.835 59.026 -3.337 1.00 23.01 C ATOM 36 OG1 THR A 4 70.676 57.951 -3.767 1.00 24.60 O ATOM 37 CG2 THR A 4 69.703 60.062 -4.463 1.00 29.34 C ATOM 38 HG1 THR A 4 70.289 57.535 -4.578 1.00 0.00 H ATOM 39 H THR A 4 72.318 59.738 -3.151 1.00 0.00 H ATOM 40 N LEU A 5 69.280 58.346 -0.415 1.00 23.47 N ATOM 41 CA LEU A 5 69.178 57.609 0.838 1.00 25.31 C ATOM 42 C LEU A 5 68.479 56.262 0.677 1.00 25.55 C ATOM 43 O LEU A 5 67.962 55.716 1.655 1.00 20.08 O ATOM 44 CB LEU A 5 68.476 58.476 1.883 1.00 23.54 C ATOM 45 CG LEU A 5 69.265 59.751 2.213 1.00 22.55 C ATOM 46 CD1 LEU A 5 68.429 60.726 3.020 1.00 22.96 C ATOM 47 CD2 LEU A 5 70.560 59.426 2.956 1.00 26.61 C ATOM 48 H LEU A 5 68.411 58.631 -0.911 1.00 0.00 H ATOM 49 N TRP A 6 68.455 55.717 -0.543 1.00 25.24 N ATOM 50 CA TRP A 6 67.948 54.363 -0.740 1.00 26.06 C ATOM 51 C TRP A 6 68.842 53.339 -0.057 1.00 24.54 C ATOM 52 O TRP A 6 68.360 52.288 0.381 1.00 25.74 O ATOM 53 CB TRP A 6 67.838 54.052 -2.233 1.00 30.42 C ATOM 54 CG TRP A 6 67.131 55.111 -3.009 1.00 26.33 C ATOM 55 CD1 TRP A 6 67.702 56.075 -3.786 1.00 27.85 C ATOM 56 CD2 TRP A 6 65.718 55.323 -3.080 1.00 26.79 C ATOM 57 NE1 TRP A 6 66.732 56.874 -4.339 1.00 26.50 N ATOM 58 CE2 TRP A 6 65.504 56.433 -3.920 1.00 27.60 C ATOM 59 CE3 TRP A 6 64.612 54.682 -2.514 1.00 30.93 C ATOM 60 CZ2 TRP A 6 64.231 56.914 -4.210 1.00 28.41 C ATOM 61 CZ3 TRP A 6 63.348 55.162 -2.804 1.00 29.17 C ATOM 62 CH2 TRP A 6 63.168 56.266 -3.644 1.00 30.04 C ATOM 63 HE1 TRP A 6 66.901 57.682 -4.972 1.00 0.00 H ATOM 64 H TRP A 6 68.800 56.262 -1.358 1.00 0.00 H ATOM 65 N LYS A 7 70.135 53.630 0.046 1.00 20.75 N ATOM 66 CA LYS A 7 71.089 52.792 0.756 1.00 20.96 C ATOM 67 C LYS A 7 71.685 53.590 1.912 1.00 25.44 C ATOM 68 O LYS A 7 71.572 54.818 1.965 1.00 22.66 O ATOM 69 CB LYS A 7 72.204 52.304 -0.176 1.00 29.95 C ATOM 70 H LYS A 7 70.482 54.501 -0.404 1.00 0.00 H ATOM 71 N ARG A 8 72.317 52.888 2.847 1.00 20.89 N ATOM 72 CA ARG A 8 72.959 53.574 3.960 1.00 22.75 C ATOM 73 C ARG A 8 74.038 54.513 3.425 1.00 25.76 C ATOM 74 O ARG A 8 74.839 54.105 2.570 1.00 24.05 O ATOM 75 CB ARG A 8 73.571 52.575 4.943 1.00 26.28 C ATOM 76 CG ARG A 8 72.546 51.774 5.730 1.00 32.39 C ATOM 77 CD ARG A 8 73.192 51.039 6.898 1.00 49.99 C ATOM 78 NE ARG A 8 72.225 50.246 7.659 1.00 66.04 N ATOM 79 CZ ARG A 8 72.198 48.915 7.722 1.00 76.68 C ATOM 80 NH1 ARG A 8 71.267 48.315 8.450 1.00 53.79 N ATOM 81 NH2 ARG A 8 73.090 48.174 7.078 1.00 95.54 N ATOM 82 HE ARG A 8 71.499 50.764 8.195 1.00 0.00 H ATOM 83 HH12 ARG A 8 71.239 47.277 8.505 1.00 0.00 H ATOM 84 HH11 ARG A 8 70.565 48.882 8.966 1.00 0.00 H ATOM 85 HH22 ARG A 8 73.048 47.137 7.143 1.00 0.00 H ATOM 86 HH21 ARG A 8 73.831 48.630 6.509 1.00 0.00 H ATOM 87 H ARG A 8 72.353 51.851 2.784 1.00 0.00 H ATOM 88 N PRO A 9 74.088 55.773 3.882 1.00 18.57 N ATOM 89 CA PRO A 9 75.145 56.685 3.420 1.00 17.88 C ATOM 90 C PRO A 9 76.495 56.382 4.052 1.00 22.85 C ATOM 91 O PRO A 9 76.975 57.128 4.912 1.00 20.84 O ATOM 92 CB PRO A 9 74.619 58.063 3.839 1.00 23.12 C ATOM 93 CG PRO A 9 73.775 57.783 5.044 1.00 16.87 C ATOM 94 CD PRO A 9 73.124 56.455 4.767 1.00 21.67 C ATOM 95 N LEU A 10 77.118 55.289 3.626 1.00 22.62 N ATOM 96 CA LEU A 10 78.425 54.899 4.134 1.00 22.13 C ATOM 97 C LEU A 10 79.525 55.561 3.315 1.00 32.94 C ATOM 98 O LEU A 10 79.411 55.704 2.094 1.00 30.60 O ATOM 99 CB LEU A 10 78.585 53.379 4.100 1.00 31.10 C ATOM 100 CG LEU A 10 77.688 52.594 5.060 1.00 27.41 C ATOM 101 CD1 LEU A 10 77.653 51.127 4.661 1.00 35.68 C ATOM 102 CD2 LEU A 10 78.165 52.734 6.493 1.00 27.32 C ATOM 103 H LEU A 10 76.658 54.694 2.908 1.00 0.00 H ATOM 104 N VAL A 11 80.590 55.975 4.001 1.00 24.80 N ATOM 105 CA VAL A 11 81.731 56.613 3.360 1.00 28.43 C ATOM 106 C VAL A 11 83.009 56.074 3.982 1.00 24.38 C ATOM 107 O VAL A 11 83.008 55.511 5.078 1.00 25.34 O ATOM 108 CB VAL A 11 81.692 58.152 3.489 1.00 31.21 C ATOM 109 CG1 VAL A 11 80.482 58.711 2.763 1.00 35.43 C ATOM 110 CG2 VAL A 11 81.683 58.571 4.953 1.00 27.01 C ATOM 111 H VAL A 11 80.607 55.837 5.032 1.00 0.00 H ATOM 112 N THR A 12 84.109 56.260 3.261 1.00 29.17 N ATOM 113 CA THR A 12 85.430 55.918 3.764 1.00 29.79 C ATOM 114 C THR A 12 86.001 57.120 4.502 1.00 22.98 C ATOM 115 O THR A 12 85.950 58.248 3.999 1.00 31.03 O ATOM 116 CB THR A 12 86.356 55.501 2.619 1.00 37.22 C ATOM 117 OG1 THR A 12 85.809 54.357 1.951 1.00 24.19 O ATOM 118 CG2 THR A 12 87.745 55.153 3.143 1.00 34.07 C ATOM 119 HG1 THR A 12 86.410 54.090 1.211 1.00 0.00 H ATOM 120 H THR A 12 84.023 56.663 2.306 1.00 0.00 H ATOM 121 N ILE A 13 86.527 56.879 5.697 1.00 21.56 N ATOM 122 CA ILE A 13 87.160 57.920 6.490 1.00 21.18 C ATOM 123 C ILE A 13 88.601 57.511 6.759 1.00 27.98 C ATOM 124 O ILE A 13 88.962 56.334 6.702 1.00 24.35 O ATOM 125 CB ILE A 13 86.409 58.188 7.811 1.00 24.53 C ATOM 126 CG1 ILE A 13 86.371 56.931 8.687 1.00 24.25 C ATOM 127 CG2 ILE A 13 84.990 58.669 7.513 1.00 25.13 C ATOM 128 CD1 ILE A 13 85.963 57.197 10.123 1.00 26.71 C ATOM 129 H ILE A 13 86.485 55.913 6.079 1.00 0.00 H ATOM 130 N LYS A 14 89.431 58.510 7.045 1.00 28.66 N ATOM 131 CA LYS A 14 90.815 58.295 7.445 1.00 24.98 C ATOM 132 C LYS A 14 91.030 58.983 8.783 1.00 30.13 C ATOM 133 O LYS A 14 90.845 60.199 8.897 1.00 32.46 O ATOM 134 CB LYS A 14 91.785 58.833 6.394 1.00 28.72 C ATOM 135 CG LYS A 14 93.245 58.583 6.714 1.00 42.67 C ATOM 136 CD LYS A 14 94.134 59.101 5.598 1.00 53.43 C ATOM 137 CE LYS A 14 95.438 59.660 6.132 1.00 55.66 C ATOM 138 NZ LYS A 14 96.182 60.412 5.083 1.00 62.10 N ATOM 139 HZ1 LYS A 14 96.397 59.776 4.289 1.00 0.00 H ATOM 140 HZ2 LYS A 14 95.598 61.204 4.746 1.00 0.00 H ATOM 141 HZ3 LYS A 14 97.068 60.780 5.484 1.00 0.00 H ATOM 142 H LYS A 14 89.077 59.486 6.980 1.00 0.00 H ATOM 143 N ILE A 15 91.402 58.204 9.793 1.00 30.60 N ATOM 144 CA ILE A 15 91.624 58.722 11.136 1.00 27.51 C ATOM 145 C ILE A 15 92.795 57.972 11.751 1.00 36.64 C ATOM 146 O ILE A 15 92.897 56.747 11.626 1.00 29.46 O ATOM 147 CB ILE A 15 90.360 58.589 12.008 1.00 31.45 C ATOM 148 CG1 ILE A 15 90.624 59.177 13.392 1.00 35.91 C ATOM 149 CG2 ILE A 15 89.928 57.127 12.107 1.00 33.28 C ATOM 150 CD1 ILE A 15 89.380 59.382 14.225 1.00 34.62 C ATOM 151 H ILE A 15 91.540 57.188 9.618 1.00 0.00 H ATOM 152 N GLY A 16 93.675 58.709 12.426 1.00 36.40 N ATOM 153 CA GLY A 16 94.894 58.118 12.942 1.00 38.88 C ATOM 154 C GLY A 16 95.744 57.453 11.885 1.00 31.56 C ATOM 155 O GLY A 16 96.566 56.592 12.211 1.00 39.27 O ATOM 156 H GLY A 16 93.486 59.719 12.585 1.00 0.00 H ATOM 157 N GLY A 17 95.570 57.829 10.619 1.00 33.04 N ATOM 158 CA GLY A 17 96.293 57.222 9.525 1.00 35.59 C ATOM 159 C GLY A 17 95.692 55.939 9.000 1.00 39.99 C ATOM 160 O GLY A 17 96.294 55.312 8.119 1.00 40.26 O ATOM 161 H GLY A 17 94.889 58.587 10.410 1.00 0.00 H ATOM 162 N GLN A 18 94.527 55.533 9.499 1.00 34.15 N ATOM 163 CA GLN A 18 93.896 54.277 9.125 1.00 31.17 C ATOM 164 C GLN A 18 92.562 54.545 8.444 1.00 38.60 C ATOM 165 O GLN A 18 91.787 55.401 8.886 1.00 31.51 O ATOM 166 CB GLN A 18 93.685 53.389 10.355 1.00 35.77 C ATOM 167 CG GLN A 18 92.903 52.114 10.078 1.00 46.69 C ATOM 168 CD GLN A 18 92.856 51.189 11.278 1.00 48.52 C ATOM 169 OE1 GLN A 18 92.407 51.575 12.357 1.00 48.22 O ATOM 170 NE2 GLN A 18 93.326 49.960 11.095 1.00 53.06 N ATOM 171 HE22 GLN A 18 93.696 49.678 10.165 1.00 0.00 H ATOM 172 HE21 GLN A 18 93.324 49.280 11.882 1.00 0.00 H ATOM 173 H GLN A 18 94.045 56.143 10.189 1.00 0.00 H ATOM 174 N LEU A 19 92.298 53.797 7.374 1.00 26.09 N ATOM 175 CA LEU A 19 91.034 53.899 6.660 1.00 29.88 C ATOM 176 C LEU A 19 89.966 53.061 7.350 1.00 37.05 C ATOM 177 O LEU A 19 90.240 51.962 7.842 1.00 29.01 O ATOM 178 CB LEU A 19 91.190 53.432 5.211 1.00 38.95 C ATOM 179 CG LEU A 19 92.217 54.127 4.315 1.00 39.90 C ATOM 180 CD1 LEU A 19 92.096 53.598 2.890 1.00 37.78 C ATOM 181 CD2 LEU A 19 92.050 55.639 4.343 1.00 39.07 C ATOM 182 H LEU A 19 93.015 53.122 7.040 1.00 0.00 H ATOM 183 N LYS A 20 88.744 53.587 7.386 1.00 29.90 N ATOM 184 CA LYS A 20 87.610 52.868 7.950 1.00 24.73 C ATOM 185 C LYS A 20 86.352 53.298 7.211 1.00 26.47 C ATOM 186 O LYS A 20 86.346 54.289 6.478 1.00 25.01 O ATOM 187 CB LYS A 20 87.459 53.127 9.454 1.00 30.66 C ATOM 188 CG LYS A 20 88.772 53.216 10.217 1.00 39.89 C ATOM 189 CD LYS A 20 88.543 53.201 11.716 1.00 39.19 C ATOM 190 CE LYS A 20 88.915 51.850 12.302 1.00 44.67 C ATOM 191 NZ LYS A 20 88.456 51.702 13.704 1.00 48.32 N ATOM 192 HZ1 LYS A 20 88.894 52.441 14.291 1.00 0.00 H ATOM 193 HZ2 LYS A 20 87.421 51.797 13.740 1.00 0.00 H ATOM 194 HZ3 LYS A 20 88.732 50.765 14.061 1.00 0.00 H ATOM 195 H LYS A 20 88.594 54.541 6.999 1.00 0.00 H ATOM 196 N GLU A 21 85.281 52.536 7.413 1.00 26.44 N ATOM 197 CA GLU A 21 83.966 52.858 6.875 1.00 28.75 C ATOM 198 C GLU A 21 83.118 53.490 7.970 1.00 17.49 C ATOM 199 O GLU A 21 83.167 53.061 9.125 1.00 20.31 O ATOM 200 CB GLU A 21 83.271 51.603 6.344 1.00 34.09 C ATOM 201 CG GLU A 21 83.895 51.029 5.089 1.00 53.44 C ATOM 202 CD GLU A 21 83.261 51.581 3.829 1.00 58.42 C ATOM 203 OE1 GLU A 21 82.131 51.161 3.500 1.00 63.01 O ATOM 204 OE2 GLU A 21 83.885 52.443 3.178 1.00 51.70 O ATOM 205 H GLU A 21 85.387 51.671 7.981 1.00 0.00 H ATOM 206 N ALA A 22 82.335 54.503 7.605 1.00 18.05 N ATOM 207 CA ALA A 22 81.525 55.203 8.591 1.00 21.05 C ATOM 208 C ALA A 22 80.212 55.646 7.964 1.00 20.48 C ATOM 209 O ALA A 22 80.110 55.831 6.748 1.00 23.10 O ATOM 210 CB ALA A 22 82.264 56.414 9.173 1.00 19.62 C ATOM 211 H ALA A 22 82.302 54.796 6.608 1.00 0.00 H ATOM 212 N LEU A 23 79.211 55.816 8.821 1.00 17.27 N ATOM 213 CA LEU A 23 77.860 56.175 8.420 1.00 13.12 C ATOM 214 C LEU A 23 77.655 57.664 8.663 1.00 15.46 C ATOM 215 O LEU A 23 77.861 58.144 9.784 1.00 17.32 O ATOM 216 CB LEU A 23 76.842 55.358 9.217 1.00 19.38 C ATOM 217 CG LEU A 23 75.361 55.624 8.951 1.00 18.28 C ATOM 218 CD1 LEU A 23 74.988 55.175 7.555 1.00 18.20 C ATOM 219 CD2 LEU A 23 74.501 54.911 9.992 1.00 19.33 C ATOM 220 H LEU A 23 79.404 55.685 9.834 1.00 0.00 H ATOM 221 N LEU A 24 77.242 58.392 7.625 1.00 15.43 N ATOM 222 CA LEU A 24 76.879 59.793 7.800 1.00 17.24 C ATOM 223 C LEU A 24 75.515 59.853 8.477 1.00 17.54 C ATOM 224 O LEU A 24 74.514 59.395 7.915 1.00 18.04 O ATOM 225 CB LEU A 24 76.862 60.521 6.459 1.00 20.48 C ATOM 226 CG LEU A 24 78.177 60.480 5.673 1.00 20.58 C ATOM 227 CD1 LEU A 24 78.048 61.294 4.397 1.00 23.09 C ATOM 228 CD2 LEU A 24 79.349 60.978 6.510 1.00 27.26 C ATOM 229 H LEU A 24 77.178 57.957 6.683 1.00 0.00 H ATOM 230 N ASP A 25 75.477 60.411 9.684 1.00 14.92 N ATOM 231 CA ASP A 25 74.351 60.243 10.605 1.00 14.72 C ATOM 232 C ASP A 25 73.859 61.610 11.082 1.00 17.26 C ATOM 233 O ASP A 25 74.338 62.133 12.092 1.00 14.77 O ATOM 234 CB ASP A 25 74.791 59.363 11.769 1.00 19.70 C ATOM 235 CG ASP A 25 73.647 58.955 12.666 1.00 18.47 C ATOM 236 OD1 ASP A 25 72.534 59.507 12.519 1.00 16.14 O ATOM 237 OD2 ASP A 25 73.873 58.072 13.518 1.00 16.56 O ATOM 238 H ASP A 25 76.284 60.993 9.987 1.00 0.00 H ATOM 239 N THR A 26 72.881 62.180 10.371 1.00 13.96 N ATOM 240 CA THR A 26 72.389 63.504 10.741 1.00 12.91 C ATOM 241 C THR A 26 71.644 63.497 12.072 1.00 13.07 C ATOM 242 O THR A 26 71.449 64.564 12.663 1.00 15.25 O ATOM 243 CB THR A 26 71.484 64.080 9.647 1.00 15.30 C ATOM 244 OG1 THR A 26 70.389 63.189 9.390 1.00 16.36 O ATOM 245 CG2 THR A 26 72.279 64.315 8.357 1.00 17.29 C ATOM 246 HG1 THR A 26 69.861 63.069 10.219 1.00 0.00 H ATOM 247 H THR A 26 72.471 61.681 9.556 1.00 0.00 H ATOM 248 N GLY A 27 71.244 62.328 12.562 1.00 14.46 N ATOM 249 CA GLY A 27 70.595 62.211 13.852 1.00 12.74 C ATOM 250 C GLY A 27 71.531 62.093 15.027 1.00 11.75 C ATOM 251 O GLY A 27 71.076 61.924 16.164 1.00 17.13 O ATOM 252 H GLY A 27 71.402 61.467 12.000 1.00 0.00 H ATOM 253 N ALA A 28 72.834 62.172 14.793 1.00 14.33 N ATOM 254 CA ALA A 28 73.826 62.083 15.852 1.00 15.08 C ATOM 255 C ALA A 28 74.442 63.458 16.058 1.00 13.29 C ATOM 256 O ALA A 28 74.940 64.065 15.104 1.00 16.44 O ATOM 257 CB ALA A 28 74.900 61.050 15.505 1.00 20.11 C ATOM 258 H ALA A 28 73.159 62.303 13.814 1.00 0.00 H ATOM 259 N ASP A 29 74.388 63.954 17.298 1.00 15.32 N ATOM 260 CA ASP A 29 75.094 65.188 17.629 1.00 14.00 C ATOM 261 C ASP A 29 76.598 64.990 17.523 1.00 16.60 C ATOM 262 O ASP A 29 77.331 65.904 17.123 1.00 17.93 O ATOM 263 CB ASP A 29 74.764 65.649 19.052 1.00 18.66 C ATOM 264 CG ASP A 29 73.278 65.827 19.307 1.00 21.51 C ATOM 265 OD1 ASP A 29 72.492 65.928 18.346 1.00 19.63 O ATOM 266 OD2 ASP A 29 72.903 65.885 20.499 1.00 20.26 O ATOM 267 H ASP A 29 73.840 63.458 18.030 1.00 0.00 H ATOM 268 N ASP A 30 77.074 63.806 17.895 1.00 16.30 N ATOM 269 CA ASP A 30 78.488 63.546 18.076 1.00 15.96 C ATOM 270 C ASP A 30 78.937 62.437 17.136 1.00 18.31 C ATOM 271 O ASP A 30 78.129 61.663 16.613 1.00 19.69 O ATOM 272 CB ASP A 30 78.802 63.138 19.527 1.00 20.00 C ATOM 273 CG ASP A 30 78.190 64.073 20.553 1.00 18.02 C ATOM 274 OD1 ASP A 30 78.186 65.300 20.329 1.00 26.39 O ATOM 275 OD2 ASP A 30 77.713 63.570 21.592 1.00 30.73 O ATOM 276 H ASP A 30 76.401 63.031 18.064 1.00 0.00 H ATOM 277 N THR A 31 80.248 62.372 16.941 1.00 16.96 N ATOM 278 CA THR A 31 80.886 61.338 16.141 1.00 16.49 C ATOM 279 C THR A 31 81.392 60.251 17.078 1.00 22.93 C ATOM 280 O THR A 31 82.118 60.537 18.036 1.00 18.93 O ATOM 281 CB THR A 31 82.033 61.930 15.317 1.00 18.85 C ATOM 282 OG1 THR A 31 81.501 62.843 14.351 1.00 20.46 O ATOM 283 CG2 THR A 31 82.822 60.846 14.598 1.00 18.92 C ATOM 284 HG1 THR A 31 81.018 63.570 14.817 1.00 0.00 H ATOM 285 H THR A 31 80.850 63.097 17.382 1.00 0.00 H ATOM 286 N VAL A 32 80.992 59.012 16.812 1.00 19.04 N ATOM 287 CA VAL A 32 81.298 57.891 17.688 1.00 16.11 C ATOM 288 C VAL A 32 81.828 56.755 16.829 1.00 21.63 C ATOM 289 O VAL A 32 81.150 56.312 15.894 1.00 18.29 O ATOM 290 CB VAL A 32 80.070 57.433 18.494 1.00 17.12 C ATOM 291 CG1 VAL A 32 80.486 56.412 19.544 1.00 19.67 C ATOM 292 CG2 VAL A 32 79.383 58.622 19.138 1.00 23.30 C ATOM 293 H VAL A 32 80.441 58.837 15.947 1.00 0.00 H ATOM 294 N LEU A 33 83.029 56.282 17.146 1.00 15.95 N ATOM 295 CA LEU A 33 83.662 55.200 16.414 1.00 14.98 C ATOM 296 C LEU A 33 83.826 53.981 17.308 1.00 20.46 C ATOM 297 O LEU A 33 83.936 54.092 18.532 1.00 19.51 O ATOM 298 CB LEU A 33 85.035 55.611 15.879 1.00 21.13 C ATOM 299 CG LEU A 33 85.091 56.859 15.003 1.00 23.34 C ATOM 300 CD1 LEU A 33 86.524 57.125 14.579 1.00 25.90 C ATOM 301 CD2 LEU A 33 84.188 56.717 13.789 1.00 25.04 C ATOM 302 H LEU A 33 83.535 56.704 17.950 1.00 0.00 H ATOM 303 N GLU A 34 83.841 52.815 16.674 1.00 20.20 N ATOM 304 CA GLU A 34 84.075 51.574 17.387 1.00 21.93 C ATOM 305 C GLU A 34 85.469 51.577 18.005 1.00 27.66 C ATOM 306 O GLU A 34 86.337 52.380 17.648 1.00 22.27 O ATOM 307 CB GLU A 34 83.920 50.385 16.441 1.00 22.29 C ATOM 308 CG GLU A 34 82.514 50.232 15.884 1.00 19.62 C ATOM 309 CD GLU A 34 82.470 49.468 14.572 1.00 25.47 C ATOM 310 OE1 GLU A 34 83.536 49.045 14.080 1.00 35.83 O ATOM 311 OE2 GLU A 34 81.360 49.299 14.029 1.00 36.25 O ATOM 312 H GLU A 34 83.682 52.791 15.647 1.00 0.00 H ATOM 313 N GLU A 35 85.672 50.656 18.945 1.00 24.46 N ATOM 314 CA GLU A 35 86.927 50.568 19.680 1.00 26.91 C ATOM 315 C GLU A 35 88.123 50.587 18.739 1.00 28.96 C ATOM 316 O GLU A 35 88.190 49.815 17.779 1.00 27.41 O ATOM 317 CB GLU A 35 86.943 49.290 20.521 1.00 41.45 C ATOM 318 CG GLU A 35 88.211 49.098 21.341 1.00 49.65 C ATOM 319 CD GLU A 35 88.396 50.181 22.378 1.00 57.63 C ATOM 320 OE1 GLU A 35 87.378 50.680 22.904 1.00 60.59 O ATOM 321 OE2 GLU A 35 89.557 50.542 22.663 1.00 68.53 O ATOM 322 H GLU A 35 84.912 49.979 19.161 1.00 0.00 H ATOM 323 N MET A 36 89.074 51.468 19.032 1.00 36.41 N ATOM 324 CA MET A 36 90.294 51.570 18.246 1.00 30.73 C ATOM 325 C MET A 36 91.334 52.307 19.074 1.00 40.19 C ATOM 326 O MET A 36 91.007 53.004 20.038 1.00 31.43 O ATOM 327 CB MET A 36 90.054 52.295 16.915 1.00 36.10 C ATOM 328 CG MET A 36 89.725 53.782 17.053 1.00 30.90 C ATOM 329 SD MET A 36 89.649 54.661 15.475 1.00 36.53 S ATOM 330 CE MET A 36 91.337 54.506 14.890 1.00 34.49 C ATOM 331 H MET A 36 88.942 52.102 19.846 1.00 0.00 H ATOM 332 N ASN A 37 92.594 52.141 18.685 1.00 35.01 N ATOM 333 CA ASN A 37 93.694 52.863 19.308 1.00 39.03 C ATOM 334 C ASN A 37 93.871 54.199 18.595 1.00 42.45 C ATOM 335 O ASN A 37 94.090 54.233 17.380 1.00 36.27 O ATOM 336 CB ASN A 37 94.984 52.047 19.251 1.00 42.42 C ATOM 337 CG ASN A 37 94.936 50.818 20.134 1.00 53.93 C ATOM 338 OD1 ASN A 37 94.863 50.922 21.359 1.00 50.22 O ATOM 339 ND2 ASN A 37 94.985 49.644 19.517 1.00 55.70 N ATOM 340 HD22 ASN A 37 95.046 49.604 18.480 1.00 0.00 H ATOM 341 HD21 ASN A 37 94.962 48.764 20.071 1.00 0.00 H ATOM 342 H ASN A 37 92.800 51.476 17.913 1.00 0.00 H ATOM 343 N LEU A 38 93.758 55.292 19.350 1.00 34.25 N ATOM 344 CA LEU A 38 93.979 56.633 18.836 1.00 46.42 C ATOM 345 C LEU A 38 95.069 57.334 19.636 1.00 37.96 C ATOM 346 O LEU A 38 95.095 57.226 20.866 1.00 44.47 O ATOM 347 CB LEU A 38 92.695 57.473 18.901 1.00 41.53 C ATOM 348 CG LEU A 38 91.844 57.577 17.636 1.00 46.02 C ATOM 349 CD1 LEU A 38 90.593 58.401 17.908 1.00 39.80 C ATOM 350 CD2 LEU A 38 92.633 58.192 16.491 1.00 39.59 C ATOM 351 H LEU A 38 93.500 55.180 20.351 1.00 0.00 H ATOM 352 N PRO A 39 95.978 58.052 18.982 1.00 46.71 N ATOM 353 CA PRO A 39 97.001 58.790 19.728 1.00 47.67 C ATOM 354 C PRO A 39 96.444 60.060 20.350 1.00 43.74 C ATOM 355 O PRO A 39 95.484 60.659 19.859 1.00 51.55 O ATOM 356 CB PRO A 39 98.054 59.111 18.660 1.00 50.83 C ATOM 357 CG PRO A 39 97.296 59.154 17.389 1.00 46.04 C ATOM 358 CD PRO A 39 96.168 58.169 17.525 1.00 40.67 C ATOM 359 N GLY A 40 97.065 60.462 21.450 1.00 44.76 N ATOM 360 CA GLY A 40 96.647 61.637 22.181 1.00 45.21 C ATOM 361 C GLY A 40 95.889 61.280 23.449 1.00 43.78 C ATOM 362 O GLY A 40 95.416 60.156 23.638 1.00 49.06 O ATOM 363 H GLY A 40 97.878 59.915 21.798 1.00 0.00 H ATOM 364 N ARG A 41 95.776 62.263 24.335 1.00 40.56 N ATOM 365 CA ARG A 41 95.060 62.065 25.582 1.00 40.51 C ATOM 366 C ARG A 41 93.557 61.991 25.330 1.00 39.81 C ATOM 367 O ARG A 41 93.047 62.418 24.289 1.00 40.85 O ATOM 368 CB ARG A 41 95.369 63.195 26.563 1.00 45.13 C ATOM 369 H ARG A 41 96.207 63.188 24.132 1.00 0.00 H ATOM 370 N TRP A 42 92.846 61.434 26.307 1.00 44.74 N ATOM 371 CA TRP A 42 91.399 61.314 26.233 1.00 41.78 C ATOM 372 C TRP A 42 90.824 61.402 27.637 1.00 44.60 C ATOM 373 O TRP A 42 91.527 61.205 28.631 1.00 44.11 O ATOM 374 CB TRP A 42 90.973 60.000 25.569 1.00 41.60 C ATOM 375 CG TRP A 42 91.510 58.776 26.245 1.00 39.77 C ATOM 376 CD1 TRP A 42 92.641 58.091 25.917 1.00 40.56 C ATOM 377 CD2 TRP A 42 90.934 58.087 27.362 1.00 41.41 C ATOM 378 NE1 TRP A 42 92.807 57.019 26.757 1.00 42.51 N ATOM 379 CE2 TRP A 42 91.774 56.995 27.655 1.00 47.12 C ATOM 380 CE3 TRP A 42 89.792 58.288 28.143 1.00 47.05 C ATOM 381 CZ2 TRP A 42 91.508 56.106 28.694 1.00 50.01 C ATOM 382 CZ3 TRP A 42 89.530 57.403 29.177 1.00 48.53 C ATOM 383 CH2 TRP A 42 90.385 56.326 29.441 1.00 53.55 C ATOM 384 HE1 TRP A 42 93.590 56.336 26.718 1.00 0.00 H ATOM 385 H TRP A 42 93.340 61.074 27.148 1.00 0.00 H ATOM 386 N LYS A 43 89.529 61.705 27.703 1.00 42.77 N ATOM 387 CA LYS A 43 88.817 61.773 28.963 1.00 43.19 C ATOM 388 C LYS A 43 87.598 60.858 28.923 1.00 35.88 C ATOM 389 O LYS A 43 86.969 60.722 27.868 1.00 29.55 O ATOM 390 CB LYS A 43 88.368 63.210 29.262 1.00 38.61 C ATOM 391 H LYS A 43 89.012 61.899 26.822 1.00 0.00 H ATOM 392 N PRO A 44 87.237 60.222 30.038 1.00 35.93 N ATOM 393 CA PRO A 44 86.040 59.373 30.034 1.00 35.07 C ATOM 394 C PRO A 44 84.778 60.216 29.966 1.00 43.97 C ATOM 395 O PRO A 44 84.652 61.233 30.652 1.00 34.15 O ATOM 396 CB PRO A 44 86.128 58.611 31.365 1.00 45.85 C ATOM 397 CG PRO A 44 87.472 58.943 31.948 1.00 43.78 C ATOM 398 CD PRO A 44 87.870 60.252 31.366 1.00 37.64 C ATOM 399 N LYS A 45 83.835 59.780 29.132 1.00 25.84 N ATOM 400 CA LYS A 45 82.573 60.484 28.968 1.00 31.77 C ATOM 401 C LYS A 45 81.447 59.471 28.814 1.00 24.98 C ATOM 402 O LYS A 45 81.679 58.287 28.562 1.00 26.79 O ATOM 403 CB LYS A 45 82.610 61.427 27.760 1.00 29.43 C ATOM 404 CG LYS A 45 83.473 62.662 27.966 1.00 44.63 C ATOM 405 CD LYS A 45 82.802 63.671 28.886 1.00 57.65 C ATOM 406 CE LYS A 45 83.559 64.991 28.913 1.00 53.72 C ATOM 407 NZ LYS A 45 82.828 66.048 29.667 1.00 78.31 N ATOM 408 HZ1 LYS A 45 81.904 66.215 29.219 1.00 0.00 H ATOM 409 HZ2 LYS A 45 82.687 65.737 30.649 1.00 0.00 H ATOM 410 HZ3 LYS A 45 83.384 66.927 29.657 1.00 0.00 H ATOM 411 H LYS A 45 84.006 58.913 28.584 1.00 0.00 H ATOM 412 N MET A 46 80.220 59.956 28.987 1.00 23.82 N ATOM 413 CA MET A 46 79.014 59.160 28.807 1.00 26.56 C ATOM 414 C MET A 46 78.168 59.775 27.702 1.00 28.93 C ATOM 415 O MET A 46 78.032 61.001 27.628 1.00 29.63 O ATOM 416 CB MET A 46 78.193 59.099 30.099 1.00 33.14 C ATOM 417 CG MET A 46 78.916 58.498 31.295 1.00 38.65 C ATOM 418 SD MET A 46 79.098 56.710 31.220 1.00 40.03 S ATOM 419 CE MET A 46 77.388 56.173 31.231 1.00 37.96 C ATOM 420 H MET A 46 80.117 60.953 29.265 1.00 0.00 H ATOM 421 N ILE A 47 77.595 58.927 26.846 1.00 20.44 N ATOM 422 CA ILE A 47 76.678 59.382 25.807 1.00 23.76 C ATOM 423 C ILE A 47 75.476 58.450 25.758 1.00 20.49 C ATOM 424 O ILE A 47 75.582 57.252 26.033 1.00 24.69 O ATOM 425 CB ILE A 47 77.359 59.462 24.423 1.00 28.65 C ATOM 426 CG1 ILE A 47 77.864 58.085 23.983 1.00 29.44 C ATOM 427 CG2 ILE A 47 78.490 60.471 24.467 1.00 36.86 C ATOM 428 CD1 ILE A 47 78.346 58.035 22.548 1.00 32.48 C ATOM 429 H ILE A 47 77.808 57.912 26.922 1.00 0.00 H ATOM 430 N GLY A 48 74.331 59.011 25.387 1.00 21.93 N ATOM 431 CA GLY A 48 73.071 58.281 25.352 1.00 29.60 C ATOM 432 C GLY A 48 72.565 58.119 23.932 1.00 25.68 C ATOM 433 O GLY A 48 72.625 59.056 23.129 1.00 25.32 O ATOM 434 H GLY A 48 74.334 60.013 25.110 1.00 0.00 H ATOM 435 N GLY A 49 72.071 56.921 23.631 1.00 18.33 N ATOM 436 CA GLY A 49 71.462 56.634 22.352 1.00 20.67 C ATOM 437 C GLY A 49 70.052 56.112 22.527 1.00 22.32 C ATOM 438 O GLY A 49 69.429 56.326 23.573 1.00 16.40 O ATOM 439 H GLY A 49 72.125 56.164 24.342 1.00 0.00 H ATOM 440 N ILE A 50 69.537 55.407 21.520 1.00 17.61 N ATOM 441 CA ILE A 50 68.152 54.955 21.592 1.00 21.14 C ATOM 442 C ILE A 50 67.975 53.914 22.687 1.00 21.14 C ATOM 443 O ILE A 50 66.880 53.775 23.247 1.00 21.25 O ATOM 444 CB ILE A 50 67.688 54.416 20.226 1.00 24.07 C ATOM 445 CG1 ILE A 50 66.159 54.426 20.152 1.00 23.29 C ATOM 446 CG2 ILE A 50 68.244 53.007 19.973 1.00 21.90 C ATOM 447 CD1 ILE A 50 65.609 54.142 18.773 1.00 27.67 C ATOM 448 H ILE A 50 70.119 55.181 20.688 1.00 0.00 H ATOM 449 N GLY A 51 69.034 53.176 23.017 1.00 18.73 N ATOM 450 CA GLY A 51 68.922 52.042 23.917 1.00 20.83 C ATOM 451 C GLY A 51 69.435 52.277 25.323 1.00 22.86 C ATOM 452 O GLY A 51 69.291 51.404 26.185 1.00 20.69 O ATOM 453 H GLY A 51 69.964 53.418 22.620 1.00 0.00 H ATOM 454 N GLY A 52 70.027 53.440 25.575 1.00 21.85 N ATOM 455 CA GLY A 52 70.581 53.752 26.872 1.00 27.14 C ATOM 456 C GLY A 52 71.888 54.499 26.728 1.00 22.50 C ATOM 457 O GLY A 52 72.191 55.051 25.673 1.00 18.12 O ATOM 458 H GLY A 52 70.093 54.147 24.815 1.00 0.00 H ATOM 459 N PHE A 53 72.669 54.497 27.805 1.00 19.48 N ATOM 460 CA PHE A 53 73.910 55.251 27.880 1.00 21.44 C ATOM 461 C PHE A 53 75.110 54.315 27.906 1.00 24.95 C ATOM 462 O PHE A 53 75.055 53.223 28.480 1.00 20.00 O ATOM 463 CB PHE A 53 73.922 56.148 29.120 1.00 23.48 C ATOM 464 CG PHE A 53 72.990 57.315 29.020 1.00 25.45 C ATOM 465 CD1 PHE A 53 71.620 57.127 29.048 1.00 26.79 C ATOM 466 CD2 PHE A 53 73.483 58.600 28.890 1.00 25.76 C ATOM 467 CE1 PHE A 53 70.759 58.199 28.947 1.00 35.77 C ATOM 468 CE2 PHE A 53 72.626 59.677 28.795 1.00 31.60 C ATOM 469 CZ PHE A 53 71.262 59.476 28.823 1.00 34.35 C ATOM 470 H PHE A 53 72.379 53.932 28.629 1.00 0.00 H ATOM 471 N ILE A 54 76.205 54.763 27.285 1.00 20.06 N ATOM 472 CA ILE A 54 77.447 54.003 27.239 1.00 22.49 C ATOM 473 C ILE A 54 78.597 54.904 27.663 1.00 21.21 C ATOM 474 O ILE A 54 78.523 56.132 27.581 1.00 24.00 O ATOM 475 CB ILE A 54 77.738 53.412 25.838 1.00 22.72 C ATOM 476 CG1 ILE A 54 77.915 54.529 24.804 1.00 23.69 C ATOM 477 CG2 ILE A 54 76.629 52.461 25.422 1.00 23.98 C ATOM 478 CD1 ILE A 54 78.446 54.051 23.469 1.00 20.62 C ATOM 479 H ILE A 54 76.169 55.691 26.816 1.00 0.00 H ATOM 480 N LYS A 55 79.677 54.271 28.103 1.00 21.87 N ATOM 481 CA LYS A 55 80.910 54.979 28.412 1.00 28.35 C ATOM 482 C LYS A 55 81.785 55.031 27.168 1.00 20.90 C ATOM 483 O LYS A 55 81.916 54.038 26.449 1.00 22.43 O ATOM 484 CB LYS A 55 81.660 54.288 29.555 1.00 28.91 C ATOM 485 H LYS A 55 79.641 53.239 28.231 1.00 0.00 H ATOM 486 N VAL A 56 82.376 56.202 26.913 1.00 24.41 N ATOM 487 CA VAL A 56 83.227 56.405 25.749 1.00 21.15 C ATOM 488 C VAL A 56 84.494 57.139 26.166 1.00 27.45 C ATOM 489 O VAL A 56 84.565 57.759 27.229 1.00 26.08 O ATOM 490 CB VAL A 56 82.512 57.191 24.621 1.00 22.54 C ATOM 491 CG1 VAL A 56 81.309 56.409 24.112 1.00 24.76 C ATOM 492 CG2 VAL A 56 82.093 58.576 25.095 1.00 24.31 C ATOM 493 H VAL A 56 82.223 56.995 27.568 1.00 0.00 H ATOM 494 N ARG A 57 85.505 57.048 25.307 1.00 23.70 N ATOM 495 CA ARG A 57 86.723 57.838 25.425 1.00 27.11 C ATOM 496 C ARG A 57 86.603 59.034 24.488 1.00 26.75 C ATOM 497 O ARG A 57 86.422 58.859 23.278 1.00 26.68 O ATOM 498 CB ARG A 57 87.956 57.003 25.072 1.00 32.15 C ATOM 499 CG ARG A 57 87.940 55.591 25.648 1.00 42.03 C ATOM 500 CD ARG A 57 89.329 54.957 25.662 1.00 48.44 C ATOM 501 NE ARG A 57 90.015 55.046 24.372 1.00 50.46 N ATOM 502 CZ ARG A 57 89.949 54.132 23.406 1.00 70.45 C ATOM 503 NH1 ARG A 57 90.619 54.317 22.277 1.00 58.98 N ATOM 504 NH2 ARG A 57 89.218 53.035 23.553 1.00 71.11 N ATOM 505 HE ARG A 57 90.599 55.888 24.196 1.00 0.00 H ATOM 506 HH12 ARG A 57 90.570 53.605 21.520 1.00 0.00 H ATOM 507 HH11 ARG A 57 91.194 55.174 22.148 1.00 0.00 H ATOM 508 HH22 ARG A 57 89.177 52.331 22.789 1.00 0.00 H ATOM 509 HH21 ARG A 57 88.686 52.879 24.433 1.00 0.00 H ATOM 510 H ARG A 57 85.422 56.381 24.513 1.00 0.00 H ATOM 511 N GLN A 58 86.691 60.240 25.042 1.00 27.83 N ATOM 512 CA GLN A 58 86.574 61.460 24.252 1.00 20.61 C ATOM 513 C GLN A 58 87.960 61.934 23.828 1.00 33.00 C ATOM 514 O GLN A 58 88.805 62.239 24.676 1.00 29.84 O ATOM 515 CB GLN A 58 85.854 62.554 25.038 1.00 23.91 C ATOM 516 CG GLN A 58 85.813 63.895 24.306 1.00 24.65 C ATOM 517 CD GLN A 58 84.904 64.915 24.965 1.00 35.56 C ATOM 518 OE1 GLN A 58 83.800 64.593 25.400 1.00 43.94 O ATOM 519 NE2 GLN A 58 85.363 66.158 25.032 1.00 37.69 N ATOM 520 HE22 GLN A 58 86.303 66.386 24.651 1.00 0.00 H ATOM 521 HE21 GLN A 58 84.782 66.904 25.465 1.00 0.00 H ATOM 522 H GLN A 58 86.848 60.315 26.067 1.00 0.00 H ATOM 523 N TYR A 59 88.184 61.996 22.518 1.00 26.13 N ATOM 524 CA TYR A 59 89.402 62.548 21.938 1.00 32.02 C ATOM 525 C TYR A 59 89.074 63.901 21.323 1.00 31.20 C ATOM 526 O TYR A 59 88.232 63.988 20.422 1.00 28.85 O ATOM 527 CB TYR A 59 89.983 61.617 20.873 1.00 29.22 C ATOM 528 CG TYR A 59 90.497 60.297 21.393 1.00 29.12 C ATOM 529 CD1 TYR A 59 89.636 59.230 21.611 1.00 31.20 C ATOM 530 CD2 TYR A 59 91.849 60.113 21.649 1.00 34.21 C ATOM 531 CE1 TYR A 59 90.106 58.020 22.080 1.00 37.27 C ATOM 532 CE2 TYR A 59 92.329 58.906 22.118 1.00 35.51 C ATOM 533 CZ TYR A 59 91.452 57.862 22.331 1.00 42.24 C ATOM 534 OH TYR A 59 91.919 56.655 22.796 1.00 37.39 O ATOM 535 HH TYR A 59 91.162 56.024 22.891 1.00 0.00 H ATOM 536 H TYR A 59 87.452 61.632 21.875 1.00 0.00 H ATOM 537 N ASP A 60 89.741 64.946 21.800 1.00 29.58 N ATOM 538 CA ASP A 60 89.508 66.299 21.317 1.00 27.26 C ATOM 539 C ASP A 60 90.449 66.639 20.167 1.00 29.28 C ATOM 540 O ASP A 60 91.588 66.167 20.104 1.00 28.46 O ATOM 541 CB ASP A 60 89.699 67.321 22.441 1.00 31.76 C ATOM 542 CG ASP A 60 88.560 67.317 23.444 1.00 40.85 C ATOM 543 OD1 ASP A 60 87.615 66.518 23.285 1.00 38.37 O ATOM 544 OD2 ASP A 60 88.611 68.127 24.394 1.00 41.29 O ATOM 545 H ASP A 60 90.453 64.792 22.543 1.00 0.00 H ATOM 546 N GLN A 61 89.950 67.472 19.253 1.00 27.14 N ATOM 547 CA GLN A 61 90.759 68.076 18.195 1.00 28.36 C ATOM 548 C GLN A 61 91.491 67.019 17.368 1.00 32.60 C ATOM 549 O GLN A 61 92.686 67.135 17.085 1.00 26.03 O ATOM 550 CB GLN A 61 91.740 69.087 18.793 1.00 33.27 C ATOM 551 CG GLN A 61 91.779 70.409 18.059 1.00 32.04 C ATOM 552 CD GLN A 61 92.571 71.454 18.814 1.00 39.99 C ATOM 553 OE1 GLN A 61 92.326 71.699 19.994 1.00 36.97 O ATOM 554 NE2 GLN A 61 93.535 72.067 18.141 1.00 30.00 N ATOM 555 HE22 GLN A 61 93.706 71.827 17.144 1.00 0.00 H ATOM 556 HE21 GLN A 61 94.120 72.788 18.610 1.00 0.00 H ATOM 557 H GLN A 61 88.937 67.703 19.295 1.00 0.00 H ATOM 558 N ILE A 62 90.753 65.990 16.958 1.00 24.89 N ATOM 559 CA ILE A 62 91.311 64.880 16.194 1.00 29.34 C ATOM 560 C ILE A 62 91.132 65.160 14.709 1.00 25.85 C ATOM 561 O ILE A 62 90.047 65.554 14.265 1.00 26.50 O ATOM 562 CB ILE A 62 90.638 63.550 16.580 1.00 25.43 C ATOM 563 CG1 ILE A 62 90.979 63.164 18.022 1.00 35.63 C ATOM 564 CG2 ILE A 62 91.037 62.428 15.613 1.00 28.71 C ATOM 565 CD1 ILE A 62 92.452 62.853 18.274 1.00 44.40 C ATOM 566 H ILE A 62 89.740 65.977 17.191 1.00 0.00 H ATOM 567 N LEU A 63 92.192 64.938 13.938 1.00 21.70 N ATOM 568 CA LEU A 63 92.114 65.070 12.490 1.00 24.08 C ATOM 569 C LEU A 63 91.413 63.851 11.906 1.00 32.19 C ATOM 570 O LEU A 63 91.730 62.711 12.260 1.00 29.24 O ATOM 571 CB LEU A 63 93.511 65.221 11.888 1.00 34.32 C ATOM 572 H LEU A 63 93.094 64.665 14.377 1.00 0.00 H ATOM 573 N ILE A 64 90.455 64.093 11.018 1.00 26.38 N ATOM 574 CA ILE A 64 89.706 63.020 10.376 1.00 27.74 C ATOM 575 C ILE A 64 89.265 63.504 9.003 1.00 29.98 C ATOM 576 O ILE A 64 88.737 64.611 8.865 1.00 30.72 O ATOM 577 CB ILE A 64 88.500 62.583 11.234 1.00 34.41 C ATOM 578 CG1 ILE A 64 87.643 61.566 10.481 1.00 33.27 C ATOM 579 CG2 ILE A 64 87.670 63.794 11.638 1.00 37.57 C ATOM 580 CD1 ILE A 64 86.645 60.848 11.365 1.00 43.39 C ATOM 581 H ILE A 64 90.232 65.079 10.773 1.00 0.00 H ATOM 582 N GLU A 65 89.490 62.675 7.989 1.00 26.35 N ATOM 583 CA GLU A 65 89.178 63.008 6.606 1.00 32.24 C ATOM 584 C GLU A 65 88.012 62.151 6.135 1.00 32.97 C ATOM 585 O GLU A 65 88.052 60.922 6.255 1.00 33.14 O ATOM 586 CB GLU A 65 90.398 62.796 5.707 1.00 34.70 C ATOM 587 CG GLU A 65 90.161 63.136 4.248 1.00 51.39 C ATOM 588 CD GLU A 65 91.437 63.527 3.529 1.00 56.66 C ATOM 589 OE1 GLU A 65 91.383 64.433 2.670 1.00 49.58 O ATOM 590 OE2 GLU A 65 92.495 62.934 3.830 1.00 52.03 O ATOM 591 H GLU A 65 89.908 61.745 8.193 1.00 0.00 H ATOM 592 N ILE A 66 86.985 62.801 5.596 1.00 25.09 N ATOM 593 CA ILE A 66 85.730 62.158 5.223 1.00 26.16 C ATOM 594 C ILE A 66 85.541 62.372 3.727 1.00 35.33 C ATOM 595 O ILE A 66 85.236 63.488 3.287 1.00 28.05 O ATOM 596 CB ILE A 66 84.545 62.723 6.019 1.00 24.71 C ATOM 597 CG1 ILE A 66 84.802 62.586 7.525 1.00 31.72 C ATOM 598 CG2 ILE A 66 83.251 62.018 5.641 1.00 28.66 C ATOM 599 CD1 ILE A 66 83.891 63.427 8.382 1.00 31.20 C ATOM 600 H ILE A 66 87.082 63.823 5.431 1.00 0.00 H ATOM 601 N CYS A 67 85.725 61.310 2.944 1.00 40.30 N ATOM 602 CA CYS A 67 85.626 61.384 1.486 1.00 51.01 C ATOM 603 C CYS A 67 86.452 62.547 0.938 1.00 45.12 C ATOM 604 O CYS A 67 86.003 63.322 0.091 1.00 43.35 O ATOM 605 CB CYS A 67 84.166 61.494 1.042 1.00 48.12 C ATOM 606 SG CYS A 67 83.326 59.909 0.891 1.00 70.24 S ATOM 607 H CYS A 67 85.947 60.395 3.385 1.00 0.00 H ATOM 608 N GLY A 68 87.680 62.664 1.435 1.00 47.45 N ATOM 609 CA GLY A 68 88.591 63.693 0.981 1.00 51.99 C ATOM 610 C GLY A 68 88.376 65.065 1.583 1.00 50.49 C ATOM 611 O GLY A 68 89.086 66.004 1.200 1.00 50.13 O ATOM 612 H GLY A 68 87.994 61.998 2.170 1.00 0.00 H ATOM 613 N HIS A 69 87.425 65.220 2.501 1.00 37.42 N ATOM 614 CA HIS A 69 87.178 66.489 3.174 1.00 35.03 C ATOM 615 C HIS A 69 87.737 66.427 4.588 1.00 32.05 C ATOM 616 O HIS A 69 87.428 65.500 5.344 1.00 29.98 O ATOM 617 CB HIS A 69 85.684 66.814 3.211 1.00 36.15 C ATOM 618 CG HIS A 69 85.123 67.217 1.882 1.00 42.28 C ATOM 619 ND1 HIS A 69 84.951 66.326 0.845 1.00 45.37 N ATOM 620 CD2 HIS A 69 84.698 68.417 1.422 1.00 36.84 C ATOM 621 CE1 HIS A 69 84.443 66.960 -0.197 1.00 39.15 C ATOM 622 NE2 HIS A 69 84.279 68.229 0.127 1.00 40.19 N ATOM 623 H HIS A 69 86.833 64.401 2.749 1.00 0.00 H ATOM 624 N LYS A 70 88.545 67.420 4.944 1.00 30.94 N ATOM 625 CA LYS A 70 89.242 67.423 6.219 1.00 29.85 C ATOM 626 C LYS A 70 88.369 68.023 7.310 1.00 30.85 C ATOM 627 O LYS A 70 87.698 69.039 7.103 1.00 27.01 O ATOM 628 CB LYS A 70 90.550 68.207 6.114 1.00 30.22 C ATOM 629 H LYS A 70 88.682 68.218 4.291 1.00 0.00 H ATOM 630 N ALA A 71 88.384 67.381 8.475 1.00 24.00 N ATOM 631 CA ALA A 71 87.728 67.894 9.666 1.00 25.33 C ATOM 632 C ALA A 71 88.647 67.679 10.858 1.00 27.47 C ATOM 633 O ALA A 71 89.445 66.739 10.879 1.00 27.85 O ATOM 634 CB ALA A 71 86.382 67.206 9.912 1.00 23.89 C ATOM 635 H ALA A 71 88.887 66.473 8.536 1.00 0.00 H ATOM 636 N ILE A 72 88.536 68.565 11.844 1.00 21.66 N ATOM 637 CA ILE A 72 89.295 68.463 13.086 1.00 23.81 C ATOM 638 C ILE A 72 88.320 68.726 14.222 1.00 24.85 C ATOM 639 O ILE A 72 87.803 69.842 14.353 1.00 23.84 O ATOM 640 CB ILE A 72 90.470 69.449 13.145 1.00 24.10 C ATOM 641 CG1 ILE A 72 91.337 69.333 11.887 1.00 25.83 C ATOM 642 CG2 ILE A 72 91.291 69.196 14.400 1.00 25.02 C ATOM 643 CD1 ILE A 72 92.470 70.355 11.812 1.00 30.49 C ATOM 644 H ILE A 72 87.881 69.364 11.725 1.00 0.00 H ATOM 645 N GLY A 73 88.071 67.718 15.042 1.00 21.62 N ATOM 646 CA GLY A 73 87.092 67.880 16.088 1.00 23.40 C ATOM 647 C GLY A 73 87.055 66.705 17.031 1.00 26.15 C ATOM 648 O GLY A 73 87.957 65.866 17.048 1.00 23.86 O ATOM 649 H GLY A 73 88.577 66.816 14.933 1.00 0.00 H ATOM 650 N THR A 74 85.988 66.662 17.820 1.00 23.76 N ATOM 651 CA THR A 74 85.860 65.671 18.876 1.00 22.64 C ATOM 652 C THR A 74 85.419 64.337 18.292 1.00 26.40 C ATOM 653 O THR A 74 84.472 64.277 17.503 1.00 22.37 O ATOM 654 CB THR A 74 84.855 66.145 19.925 1.00 32.59 C ATOM 655 OG1 THR A 74 85.208 67.460 20.366 1.00 36.76 O ATOM 656 CG2 THR A 74 84.838 65.204 21.117 1.00 27.75 C ATOM 657 HG1 THR A 74 86.115 67.441 20.762 1.00 0.00 H ATOM 658 H THR A 74 85.225 67.354 17.679 1.00 0.00 H ATOM 659 N VAL A 75 86.111 63.270 18.680 1.00 22.90 N ATOM 660 CA VAL A 75 85.776 61.916 18.258 1.00 20.87 C ATOM 661 C VAL A 75 85.628 61.070 19.512 1.00 26.45 C ATOM 662 O VAL A 75 86.539 61.026 20.349 1.00 23.08 O ATOM 663 CB VAL A 75 86.835 61.318 17.317 1.00 24.34 C ATOM 664 CG1 VAL A 75 86.531 59.849 17.016 1.00 22.29 C ATOM 665 CG2 VAL A 75 86.902 62.120 16.019 1.00 26.15 C ATOM 666 H VAL A 75 86.926 63.408 19.311 1.00 0.00 H ATOM 667 N LEU A 76 84.479 60.424 19.652 1.00 19.43 N ATOM 668 CA LEU A 76 84.212 59.533 20.768 1.00 21.95 C ATOM 669 C LEU A 76 84.439 58.096 20.323 1.00 22.06 C ATOM 670 O LEU A 76 84.059 57.712 19.212 1.00 24.36 O ATOM 671 CB LEU A 76 82.780 59.709 21.274 1.00 22.20 C ATOM 672 CG LEU A 76 82.326 61.159 21.449 1.00 22.02 C ATOM 673 CD1 LEU A 76 80.911 61.201 21.985 1.00 25.14 C ATOM 674 CD2 LEU A 76 83.261 61.915 22.376 1.00 27.71 C ATOM 675 H LEU A 76 83.739 60.560 18.934 1.00 0.00 H ATOM 676 N VAL A 77 85.074 57.314 21.188 1.00 17.61 N ATOM 677 CA VAL A 77 85.424 55.928 20.901 1.00 19.10 C ATOM 678 C VAL A 77 84.786 55.055 21.971 1.00 22.84 C ATOM 679 O VAL A 77 85.003 55.273 23.170 1.00 21.69 O ATOM 680 CB VAL A 77 86.947 55.726 20.856 1.00 29.52 C ATOM 681 CG1 VAL A 77 87.298 54.252 20.698 1.00 25.20 C ATOM 682 CG2 VAL A 77 87.550 56.541 19.723 1.00 29.45 C ATOM 683 H VAL A 77 85.334 57.709 22.114 1.00 0.00 H ATOM 684 N GLY A 78 84.007 54.069 21.543 1.00 24.76 N ATOM 685 CA GLY A 78 83.326 53.199 22.468 1.00 25.06 C ATOM 686 C GLY A 78 82.510 52.133 21.767 1.00 19.33 C ATOM 687 O GLY A 78 82.565 51.977 20.543 1.00 21.30 O ATOM 688 H GLY A 78 83.886 53.922 20.521 1.00 0.00 H ATOM 689 N PRO A 79 81.731 51.374 22.540 1.00 25.97 N ATOM 690 CA PRO A 79 80.954 50.252 21.984 1.00 20.41 C ATOM 691 C PRO A 79 79.698 50.707 21.244 1.00 21.92 C ATOM 692 O PRO A 79 78.569 50.368 21.608 1.00 26.82 O ATOM 693 CB PRO A 79 80.635 49.424 23.237 1.00 23.16 C ATOM 694 CG PRO A 79 80.581 50.421 24.339 1.00 26.60 C ATOM 695 CD PRO A 79 81.638 51.439 24.010 1.00 31.71 C ATOM 696 N THR A 80 79.896 51.483 20.180 1.00 26.95 N ATOM 697 CA THR A 80 78.799 51.793 19.282 1.00 22.04 C ATOM 698 C THR A 80 78.604 50.648 18.291 1.00 21.60 C ATOM 699 O THR A 80 79.567 49.970 17.918 1.00 25.22 O ATOM 700 CB THR A 80 79.065 53.094 18.524 1.00 17.12 C ATOM 701 OG1 THR A 80 77.999 53.335 17.599 1.00 21.41 O ATOM 702 CG2 THR A 80 80.392 53.042 17.755 1.00 17.76 C ATOM 703 HG1 THR A 80 77.945 52.584 16.957 1.00 0.00 H ATOM 704 H THR A 80 80.843 51.869 19.991 1.00 0.00 H ATOM 705 N PRO A 81 77.363 50.396 17.862 1.00 19.63 N ATOM 706 CA PRO A 81 77.150 49.331 16.870 1.00 23.06 C ATOM 707 C PRO A 81 77.767 49.631 15.516 1.00 20.70 C ATOM 708 O PRO A 81 78.081 48.693 14.771 1.00 23.71 O ATOM 709 CB PRO A 81 75.619 49.237 16.777 1.00 28.90 C ATOM 710 CG PRO A 81 75.122 50.525 17.273 1.00 20.86 C ATOM 711 CD PRO A 81 76.089 50.983 18.313 1.00 18.70 C ATOM 712 N VAL A 82 77.948 50.905 15.178 1.00 18.52 N ATOM 713 CA VAL A 82 78.404 51.323 13.856 1.00 20.89 C ATOM 714 C VAL A 82 79.232 52.592 14.019 1.00 14.41 C ATOM 715 O VAL A 82 78.936 53.430 14.876 1.00 18.65 O ATOM 716 CB VAL A 82 77.204 51.566 12.909 1.00 24.14 C ATOM 717 CG1 VAL A 82 77.663 52.091 11.553 1.00 37.92 C ATOM 718 CG2 VAL A 82 76.382 50.290 12.731 1.00 36.08 C ATOM 719 H VAL A 82 77.755 51.638 15.890 1.00 0.00 H ATOM 720 N ASN A 83 80.279 52.729 13.203 1.00 19.33 N ATOM 721 CA ASN A 83 80.988 54.001 13.106 1.00 22.91 C ATOM 722 C ASN A 83 80.053 55.059 12.539 1.00 16.94 C ATOM 723 O ASN A 83 79.561 54.916 11.415 1.00 17.89 O ATOM 724 CB ASN A 83 82.215 53.872 12.199 1.00 19.66 C ATOM 725 CG ASN A 83 83.278 52.946 12.755 1.00 24.05 C ATOM 726 OD1 ASN A 83 83.477 52.850 13.964 1.00 23.23 O ATOM 727 ND2 ASN A 83 83.981 52.263 11.858 1.00 24.03 N ATOM 728 HD22 ASN A 83 83.779 52.375 10.844 1.00 0.00 H ATOM 729 HD21 ASN A 83 84.734 51.616 12.170 1.00 0.00 H ATOM 730 H ASN A 83 80.593 51.920 12.630 1.00 0.00 H ATOM 731 N ILE A 84 79.815 56.131 13.291 1.00 18.08 N ATOM 732 CA ILE A 84 78.916 57.189 12.844 1.00 14.69 C ATOM 733 C ILE A 84 79.653 58.519 12.838 1.00 18.58 C ATOM 734 O ILE A 84 80.417 58.829 13.758 1.00 18.93 O ATOM 735 CB ILE A 84 77.642 57.274 13.709 1.00 14.88 C ATOM 736 CG1 ILE A 84 77.995 57.503 15.181 1.00 18.19 C ATOM 737 CG2 ILE A 84 76.817 55.999 13.522 1.00 16.47 C ATOM 738 CD1 ILE A 84 76.794 57.726 16.077 1.00 22.16 C ATOM 739 H ILE A 84 80.280 56.216 14.217 1.00 0.00 H ATOM 740 N ILE A 85 79.426 59.291 11.781 1.00 16.19 N ATOM 741 CA ILE A 85 79.869 60.675 11.696 1.00 15.51 C ATOM 742 C ILE A 85 78.686 61.553 12.075 1.00 18.89 C ATOM 743 O ILE A 85 77.653 61.544 11.392 1.00 18.07 O ATOM 744 CB ILE A 85 80.380 61.020 10.289 1.00 19.45 C ATOM 745 CG1 ILE A 85 81.455 60.025 9.840 1.00 19.41 C ATOM 746 CG2 ILE A 85 80.914 62.442 10.259 1.00 17.15 C ATOM 747 CD1 ILE A 85 82.631 59.910 10.784 1.00 23.77 C ATOM 748 H ILE A 85 78.907 58.887 10.975 1.00 0.00 H ATOM 749 N GLY A 86 78.831 62.303 13.168 1.00 16.32 N ATOM 750 CA GLY A 86 77.783 63.163 13.664 1.00 17.46 C ATOM 751 C GLY A 86 77.907 64.605 13.186 1.00 15.75 C ATOM 752 O GLY A 86 78.824 64.989 12.464 1.00 16.58 O ATOM 753 H GLY A 86 79.734 62.267 13.683 1.00 0.00 H ATOM 754 N ARG A 87 76.952 65.420 13.638 1.00 15.18 N ATOM 755 CA ARG A 87 76.835 66.781 13.127 1.00 20.27 C ATOM 756 C ARG A 87 78.072 67.619 13.432 1.00 19.34 C ATOM 757 O ARG A 87 78.376 68.557 12.686 1.00 19.00 O ATOM 758 CB ARG A 87 75.579 67.452 13.692 1.00 18.17 C ATOM 759 CG ARG A 87 74.281 66.869 13.144 1.00 18.99 C ATOM 760 CD ARG A 87 73.051 67.675 13.556 1.00 12.96 C ATOM 761 NE ARG A 87 72.861 67.683 15.005 1.00 13.82 N ATOM 762 CZ ARG A 87 73.270 68.645 15.831 1.00 23.38 C ATOM 763 NH1 ARG A 87 73.898 69.721 15.376 1.00 16.30 N ATOM 764 NH2 ARG A 87 73.050 68.526 17.133 1.00 19.37 N ATOM 765 HE ARG A 87 72.366 66.871 15.426 1.00 0.00 H ATOM 766 HH12 ARG A 87 74.209 70.460 16.038 1.00 0.00 H ATOM 767 HH11 ARG A 87 74.079 69.825 14.357 1.00 0.00 H ATOM 768 HH22 ARG A 87 73.366 69.273 17.784 1.00 0.00 H ATOM 769 HH21 ARG A 87 72.561 67.686 17.503 1.00 0.00 H ATOM 770 H ARG A 87 76.285 65.082 14.361 1.00 0.00 H ATOM 771 N ASN A 88 78.807 67.303 14.504 1.00 19.95 N ATOM 772 CA ASN A 88 79.972 68.119 14.846 1.00 17.79 C ATOM 773 C ASN A 88 81.012 68.109 13.730 1.00 22.16 C ATOM 774 O ASN A 88 81.735 69.097 13.547 1.00 18.62 O ATOM 775 CB ASN A 88 80.589 67.646 16.167 1.00 20.87 C ATOM 776 CG ASN A 88 81.257 66.285 16.055 1.00 18.32 C ATOM 777 OD1 ASN A 88 80.669 65.331 15.551 1.00 18.78 O ATOM 778 ND2 ASN A 88 82.495 66.193 16.530 1.00 22.28 N ATOM 779 HD22 ASN A 88 82.955 67.027 16.949 1.00 0.00 H ATOM 780 HD21 ASN A 88 83.004 65.287 16.483 1.00 0.00 H ATOM 781 H ASN A 88 78.552 66.483 15.090 1.00 0.00 H ATOM 782 N LEU A 89 81.096 67.018 12.965 1.00 20.93 N ATOM 783 CA LEU A 89 81.978 66.954 11.805 1.00 20.85 C ATOM 784 C LEU A 89 81.251 67.162 10.486 1.00 17.12 C ATOM 785 O LEU A 89 81.843 67.699 9.543 1.00 16.68 O ATOM 786 CB LEU A 89 82.704 65.605 11.761 1.00 21.02 C ATOM 787 CG LEU A 89 83.532 65.264 13.002 1.00 24.43 C ATOM 788 CD1 LEU A 89 84.251 63.942 12.811 1.00 25.89 C ATOM 789 CD2 LEU A 89 84.522 66.375 13.323 1.00 24.85 C ATOM 790 H LEU A 89 80.515 66.189 13.203 1.00 0.00 H ATOM 791 N LEU A 90 79.983 66.752 10.390 1.00 18.02 N ATOM 792 CA LEU A 90 79.226 66.999 9.171 1.00 16.69 C ATOM 793 C LEU A 90 79.184 68.488 8.844 1.00 21.06 C ATOM 794 O LEU A 90 79.223 68.872 7.672 1.00 20.25 O ATOM 795 CB LEU A 90 77.809 66.449 9.303 1.00 17.03 C ATOM 796 CG LEU A 90 77.673 64.932 9.422 1.00 19.78 C ATOM 797 CD1 LEU A 90 76.221 64.584 9.631 1.00 18.96 C ATOM 798 CD2 LEU A 90 78.229 64.216 8.193 1.00 17.95 C ATOM 799 H LEU A 90 79.536 66.256 11.187 1.00 0.00 H ATOM 800 N THR A 91 79.085 69.343 9.867 1.00 19.66 N ATOM 801 CA THR A 91 79.097 70.782 9.619 1.00 19.26 C ATOM 802 C THR A 91 80.441 71.227 9.055 1.00 21.41 C ATOM 803 O THR A 91 80.496 72.103 8.182 1.00 22.66 O ATOM 804 CB THR A 91 78.789 71.557 10.901 1.00 21.63 C ATOM 805 OG1 THR A 91 79.748 71.224 11.911 1.00 20.35 O ATOM 806 CG2 THR A 91 77.388 71.256 11.401 1.00 19.57 C ATOM 807 HG1 THR A 91 79.543 71.729 12.738 1.00 0.00 H ATOM 808 H THR A 91 78.999 68.983 10.839 1.00 0.00 H ATOM 809 N GLN A 92 81.537 70.628 9.537 1.00 20.84 N ATOM 810 CA GLN A 92 82.868 71.038 9.098 1.00 22.77 C ATOM 811 C GLN A 92 83.095 70.741 7.622 1.00 23.77 C ATOM 812 O GLN A 92 83.820 71.484 6.952 1.00 26.01 O ATOM 813 CB GLN A 92 83.941 70.349 9.944 1.00 22.57 C ATOM 814 CG GLN A 92 83.956 70.786 11.386 1.00 17.89 C ATOM 815 CD GLN A 92 85.254 70.440 12.084 1.00 23.80 C ATOM 816 OE1 GLN A 92 86.263 70.141 11.441 1.00 26.18 O ATOM 817 NE2 GLN A 92 85.238 70.484 13.409 1.00 24.73 N ATOM 818 HE22 GLN A 92 84.364 70.741 13.910 1.00 0.00 H ATOM 819 HE21 GLN A 92 86.100 70.261 13.947 1.00 0.00 H ATOM 820 H GLN A 92 81.439 69.861 10.233 1.00 0.00 H ATOM 821 N ILE A 93 82.521 69.650 7.100 1.00 19.88 N ATOM 822 CA ILE A 93 82.661 69.342 5.679 1.00 21.60 C ATOM 823 C ILE A 93 81.581 69.998 4.822 1.00 23.48 C ATOM 824 O ILE A 93 81.552 69.769 3.607 1.00 20.46 O ATOM 825 CB ILE A 93 82.687 67.813 5.448 1.00 18.50 C ATOM 826 CG1 ILE A 93 81.347 67.171 5.826 1.00 25.39 C ATOM 827 CG2 ILE A 93 83.820 67.178 6.258 1.00 23.50 C ATOM 828 CD1 ILE A 93 81.235 65.714 5.393 1.00 24.16 C ATOM 829 H ILE A 93 81.970 69.015 7.712 1.00 0.00 H ATOM 830 N GLY A 94 80.704 70.811 5.408 1.00 21.48 N ATOM 831 CA GLY A 94 79.712 71.539 4.638 1.00 24.02 C ATOM 832 C GLY A 94 78.500 70.727 4.260 1.00 29.45 C ATOM 833 O GLY A 94 77.833 71.045 3.272 1.00 20.77 O ATOM 834 H GLY A 94 80.730 70.927 6.441 1.00 0.00 H ATOM 835 N CYS A 95 78.167 69.712 5.049 1.00 22.48 N ATOM 836 CA CYS A 95 77.077 68.811 4.721 1.00 22.07 C ATOM 837 C CYS A 95 75.737 69.434 5.089 1.00 20.75 C ATOM 838 O CYS A 95 75.580 70.022 6.163 1.00 24.60 O ATOM 839 CB CYS A 95 77.272 67.478 5.448 1.00 25.04 C ATOM 840 SG CYS A 95 76.158 66.177 4.907 1.00 30.48 S ATOM 841 H CYS A 95 78.703 69.558 5.927 1.00 0.00 H ATOM 842 N THR A 96 74.773 69.318 4.177 1.00 21.66 N ATOM 843 CA THR A 96 73.416 69.790 4.407 1.00 19.06 C ATOM 844 C THR A 96 72.426 68.736 3.933 1.00 17.03 C ATOM 845 O THR A 96 72.748 67.876 3.112 1.00 21.82 O ATOM 846 CB THR A 96 73.135 71.105 3.675 1.00 24.43 C ATOM 847 OG1 THR A 96 73.243 70.898 2.259 1.00 20.69 O ATOM 848 CG2 THR A 96 74.113 72.184 4.119 1.00 30.76 C ATOM 849 HG1 THR A 96 72.585 70.215 1.975 1.00 0.00 H ATOM 850 H THR A 96 74.999 68.873 3.265 1.00 0.00 H ATOM 851 N LEU A 97 71.212 68.815 4.470 1.00 21.38 N ATOM 852 CA LEU A 97 70.078 68.048 3.977 1.00 21.18 C ATOM 853 C LEU A 97 69.264 68.921 3.034 1.00 21.65 C ATOM 854 O LEU A 97 69.073 70.112 3.290 1.00 24.51 O ATOM 855 CB LEU A 97 69.193 67.568 5.127 1.00 19.62 C ATOM 856 CG LEU A 97 69.758 66.448 5.996 1.00 19.88 C ATOM 857 CD1 LEU A 97 68.960 66.321 7.284 1.00 28.93 C ATOM 858 CD2 LEU A 97 69.747 65.131 5.233 1.00 20.61 C ATOM 859 H LEU A 97 71.067 69.453 5.278 1.00 0.00 H ATOM 860 N ASN A 98 68.782 68.325 1.945 1.00 28.70 N ATOM 861 CA ASN A 98 68.075 69.077 0.918 1.00 25.37 C ATOM 862 C ASN A 98 66.899 68.269 0.391 1.00 24.27 C ATOM 863 O ASN A 98 67.062 67.100 0.037 1.00 28.46 O ATOM 864 CB ASN A 98 69.018 69.431 -0.239 1.00 26.27 C ATOM 865 CG ASN A 98 70.244 70.204 0.216 1.00 28.97 C ATOM 866 OD1 ASN A 98 71.214 69.623 0.707 1.00 35.44 O ATOM 867 ND2 ASN A 98 70.210 71.518 0.044 1.00 32.43 N ATOM 868 HD22 ASN A 98 69.370 71.966 -0.375 1.00 0.00 H ATOM 869 HD21 ASN A 98 71.023 72.101 0.328 1.00 0.00 H ATOM 870 H ASN A 98 68.913 67.300 1.826 1.00 0.00 H ATOM 871 N PHE A 99 65.728 68.897 0.326 1.00 31.66 N ATOM 872 CA PHE A 99 64.576 68.305 -0.357 1.00 39.17 C ATOM 873 C PHE A 99 63.590 69.381 -0.801 1.00 46.16 C ATOM 874 O PHE A 99 62.465 69.084 -1.206 1.00 44.24 O ATOM 875 CB PHE A 99 63.866 67.285 0.537 1.00 35.36 C ATOM 876 CG PHE A 99 63.300 67.861 1.793 1.00 32.77 C ATOM 877 CD1 PHE A 99 64.078 67.949 2.931 1.00 39.60 C ATOM 878 CD2 PHE A 99 61.984 68.286 1.849 1.00 34.15 C ATOM 879 CE1 PHE A 99 63.563 68.468 4.098 1.00 40.29 C ATOM 880 CE2 PHE A 99 61.461 68.806 3.012 1.00 44.29 C ATOM 881 CZ PHE A 99 62.252 68.897 4.141 1.00 45.55 C ATOM 882 OXT PHE A 99 63.892 70.574 -0.762 1.00 46.03 O ATOM 883 H PHE A 99 65.628 69.832 0.771 1.00 0.00 H TER 884 PHE A 99 ATOM 885 N PRO B 1 63.390 72.579 1.057 1.00 47.00 N ATOM 886 CA PRO B 1 64.388 73.521 1.573 1.00 45.25 C ATOM 887 C PRO B 1 65.760 72.885 1.779 1.00 36.42 C ATOM 888 O PRO B 1 65.912 71.678 1.591 1.00 33.87 O ATOM 889 CB PRO B 1 63.790 73.954 2.913 1.00 49.36 C ATOM 890 CG PRO B 1 63.002 72.778 3.357 1.00 45.90 C ATOM 891 CD PRO B 1 62.450 72.147 2.107 1.00 42.93 C ATOM 892 HN2 PRO B 1 63.880 71.743 0.679 1.00 0.00 H ATOM 893 HN1 PRO B 1 62.854 73.040 0.294 1.00 0.00 H ATOM 894 N GLN B 2 66.746 73.693 2.156 1.00 32.44 N ATOM 895 CA GLN B 2 68.064 73.207 2.541 1.00 33.67 C ATOM 896 C GLN B 2 68.224 73.385 4.044 1.00 35.46 C ATOM 897 O GLN B 2 67.987 74.476 4.572 1.00 34.54 O ATOM 898 CB GLN B 2 69.180 73.949 1.801 1.00 33.54 C ATOM 899 CG GLN B 2 70.570 73.630 2.339 1.00 29.41 C ATOM 900 CD GLN B 2 71.678 74.190 1.477 1.00 42.45 C ATOM 901 OE1 GLN B 2 71.985 73.654 0.412 1.00 38.53 O ATOM 902 NE2 GLN B 2 72.289 75.275 1.936 1.00 46.12 N ATOM 903 HE22 GLN B 2 71.995 75.693 2.842 1.00 0.00 H ATOM 904 HE21 GLN B 2 73.062 75.707 1.390 1.00 0.00 H ATOM 905 H GLN B 2 66.568 74.718 2.177 1.00 0.00 H ATOM 906 N ILE B 3 68.625 72.318 4.727 1.00 28.01 N ATOM 907 CA ILE B 3 68.736 72.315 6.179 1.00 30.56 C ATOM 908 C ILE B 3 70.203 72.140 6.536 1.00 25.84 C ATOM 909 O ILE B 3 70.820 71.134 6.168 1.00 22.44 O ATOM 910 CB ILE B 3 67.872 71.213 6.812 1.00 28.55 C ATOM 911 CG1 ILE B 3 66.402 71.435 6.441 1.00 37.17 C ATOM 912 CG2 ILE B 3 68.050 71.191 8.329 1.00 30.28 C ATOM 913 CD1 ILE B 3 65.457 70.371 6.937 1.00 46.33 C ATOM 914 H ILE B 3 68.869 71.452 4.205 1.00 0.00 H ATOM 915 N THR B 4 70.765 73.125 7.232 1.00 24.60 N ATOM 916 CA THR B 4 72.111 72.982 7.755 1.00 21.99 C ATOM 917 C THR B 4 72.078 72.142 9.030 1.00 18.81 C ATOM 918 O THR B 4 71.018 71.863 9.598 1.00 24.32 O ATOM 919 CB THR B 4 72.743 74.349 8.027 1.00 26.31 C ATOM 920 OG1 THR B 4 72.016 75.025 9.060 1.00 32.79 O ATOM 921 CG2 THR B 4 72.750 75.199 6.760 1.00 30.53 C ATOM 922 HG1 THR B 4 72.040 74.483 9.888 1.00 0.00 H ATOM 923 H THR B 4 70.236 74.004 7.402 1.00 0.00 H ATOM 924 N LEU B 5 73.261 71.735 9.486 1.00 19.64 N ATOM 925 CA LEU B 5 73.369 70.801 10.599 1.00 20.86 C ATOM 926 C LEU B 5 74.010 71.428 11.833 1.00 17.40 C ATOM 927 O LEU B 5 74.455 70.704 12.729 1.00 16.96 O ATOM 928 CB LEU B 5 74.143 69.559 10.163 1.00 20.95 C ATOM 929 CG LEU B 5 73.502 68.823 8.979 1.00 19.26 C ATOM 930 CD1 LEU B 5 74.403 67.704 8.466 1.00 21.76 C ATOM 931 CD2 LEU B 5 72.131 68.270 9.361 1.00 25.27 C ATOM 932 H LEU B 5 74.128 72.092 9.037 1.00 0.00 H ATOM 933 N TRP B 6 74.055 72.762 11.903 1.00 18.58 N ATOM 934 CA TRP B 6 74.500 73.424 13.125 1.00 20.78 C ATOM 935 C TRP B 6 73.690 72.947 14.320 1.00 25.10 C ATOM 936 O TRP B 6 74.228 72.750 15.417 1.00 24.76 O ATOM 937 CB TRP B 6 74.360 74.939 12.992 1.00 20.88 C ATOM 938 CG TRP B 6 75.242 75.581 11.984 1.00 20.66 C ATOM 939 CD1 TRP B 6 74.850 76.248 10.862 1.00 22.08 C ATOM 940 CD2 TRP B 6 76.672 75.646 12.012 1.00 17.30 C ATOM 941 NE1 TRP B 6 75.948 76.725 10.188 1.00 18.72 N ATOM 942 CE2 TRP B 6 77.079 76.369 10.875 1.00 22.85 C ATOM 943 CE3 TRP B 6 77.648 75.164 12.891 1.00 27.29 C ATOM 944 CZ2 TRP B 6 78.419 76.616 10.587 1.00 29.24 C ATOM 945 CZ3 TRP B 6 78.976 75.413 12.607 1.00 24.81 C ATOM 946 CH2 TRP B 6 79.350 76.133 11.465 1.00 27.33 C ATOM 947 HE1 TRP B 6 75.925 77.268 9.301 1.00 0.00 H ATOM 948 H TRP B 6 73.771 73.332 11.081 1.00 0.00 H ATOM 949 N LYS B 7 72.389 72.776 14.126 1.00 18.93 N ATOM 950 CA LYS B 7 71.482 72.302 15.154 1.00 14.76 C ATOM 951 C LYS B 7 70.851 70.996 14.688 1.00 21.86 C ATOM 952 O LYS B 7 71.034 70.564 13.546 1.00 16.80 O ATOM 953 CB LYS B 7 70.408 73.359 15.464 1.00 22.74 C ATOM 954 CG LYS B 7 69.644 73.842 14.246 1.00 30.11 C ATOM 955 CD LYS B 7 68.913 75.156 14.509 1.00 42.53 C ATOM 956 CE LYS B 7 67.609 74.941 15.253 1.00 38.19 C ATOM 957 NZ LYS B 7 66.815 76.197 15.347 1.00 48.90 N ATOM 958 HZ1 LYS B 7 67.367 76.918 15.854 1.00 0.00 H ATOM 959 HZ2 LYS B 7 66.594 76.538 14.390 1.00 0.00 H ATOM 960 HZ3 LYS B 7 65.931 76.009 15.862 1.00 0.00 H ATOM 961 H LYS B 7 71.998 72.993 13.187 1.00 0.00 H ATOM 962 N ARG B 8 70.117 70.359 15.588 1.00 20.13 N ATOM 963 CA ARG B 8 69.438 69.122 15.239 1.00 20.96 C ATOM 964 C ARG B 8 68.440 69.393 14.117 1.00 19.18 C ATOM 965 O ARG B 8 67.691 70.378 14.186 1.00 17.71 O ATOM 966 CB ARG B 8 68.723 68.539 16.455 1.00 21.94 C ATOM 967 CG ARG B 8 69.661 67.952 17.500 1.00 24.16 C ATOM 968 CD ARG B 8 68.905 67.195 18.586 1.00 21.98 C ATOM 969 NE ARG B 8 69.817 66.588 19.554 1.00 24.01 N ATOM 970 CZ ARG B 8 69.460 65.677 20.456 1.00 35.86 C ATOM 971 NH1 ARG B 8 68.205 65.254 20.519 1.00 33.33 N ATOM 972 NH2 ARG B 8 70.360 65.183 21.295 1.00 27.45 N ATOM 973 HE ARG B 8 70.812 66.889 19.537 1.00 0.00 H ATOM 974 HH12 ARG B 8 67.931 64.542 21.226 1.00 0.00 H ATOM 975 HH11 ARG B 8 67.494 65.634 19.862 1.00 0.00 H ATOM 976 HH22 ARG B 8 70.079 64.471 21.999 1.00 0.00 H ATOM 977 HH21 ARG B 8 71.347 65.507 21.249 1.00 0.00 H ATOM 978 H ARG B 8 70.026 70.746 16.549 1.00 0.00 H ATOM 979 N PRO B 9 68.396 68.560 13.074 1.00 17.78 N ATOM 980 CA PRO B 9 67.475 68.812 11.946 1.00 20.85 C ATOM 981 C PRO B 9 66.046 68.386 12.258 1.00 18.95 C ATOM 982 O PRO B 9 65.504 67.416 11.715 1.00 16.79 O ATOM 983 CB PRO B 9 68.108 67.991 10.821 1.00 20.95 C ATOM 984 CG PRO B 9 68.719 66.836 11.525 1.00 20.89 C ATOM 985 CD PRO B 9 69.247 67.382 12.827 1.00 17.26 C ATOM 986 N LEU B 10 65.414 69.146 13.147 1.00 20.43 N ATOM 987 CA LEU B 10 64.043 68.896 13.565 1.00 23.04 C ATOM 988 C LEU B 10 63.075 69.618 12.640 1.00 25.95 C ATOM 989 O LEU B 10 63.269 70.797 12.321 1.00 22.90 O ATOM 990 CB LEU B 10 63.831 69.361 15.007 1.00 25.02 C ATOM 991 CG LEU B 10 64.575 68.580 16.090 1.00 26.66 C ATOM 992 CD1 LEU B 10 64.498 69.322 17.418 1.00 39.16 C ATOM 993 CD2 LEU B 10 63.999 67.178 16.224 1.00 24.22 C ATOM 994 H LEU B 10 65.921 69.954 13.561 1.00 0.00 H ATOM 995 N VAL B 11 62.032 68.906 12.216 1.00 21.40 N ATOM 996 CA VAL B 11 60.982 69.465 11.377 1.00 20.87 C ATOM 997 C VAL B 11 59.635 69.017 11.925 1.00 27.14 C ATOM 998 O VAL B 11 59.540 68.063 12.698 1.00 22.47 O ATOM 999 CB VAL B 11 61.124 69.033 9.900 1.00 25.77 C ATOM 1000 CG1 VAL B 11 62.449 69.520 9.335 1.00 26.82 C ATOM 1001 CG2 VAL B 11 61.007 67.517 9.767 1.00 26.26 C ATOM 1002 H VAL B 11 61.965 67.907 12.497 1.00 0.00 H ATOM 1003 N THR B 12 58.584 69.711 11.500 1.00 25.80 N ATOM 1004 CA THR B 12 57.232 69.345 11.892 1.00 21.77 C ATOM 1005 C THR B 12 56.684 68.276 10.959 1.00 25.60 C ATOM 1006 O THR B 12 56.819 68.369 9.736 1.00 23.02 O ATOM 1007 CB THR B 12 56.315 70.569 11.876 1.00 28.53 C ATOM 1008 OG1 THR B 12 56.883 71.594 12.694 1.00 26.42 O ATOM 1009 CG2 THR B 12 54.928 70.218 12.410 1.00 32.66 C ATOM 1010 HG1 THR B 12 56.976 71.261 13.622 1.00 0.00 H ATOM 1011 H THR B 12 58.731 70.530 10.876 1.00 0.00 H ATOM 1012 N ILE B 13 56.068 67.250 11.547 1.00 22.94 N ATOM 1013 CA ILE B 13 55.469 66.160 10.792 1.00 17.53 C ATOM 1014 C ILE B 13 54.010 66.031 11.200 1.00 25.11 C ATOM 1015 O ILE B 13 53.594 66.485 12.268 1.00 24.41 O ATOM 1016 CB ILE B 13 56.209 64.821 11.006 1.00 23.23 C ATOM 1017 CG1 ILE B 13 56.043 64.334 12.452 1.00 26.03 C ATOM 1018 CG2 ILE B 13 57.678 64.981 10.659 1.00 23.24 C ATOM 1019 CD1 ILE B 13 56.580 62.933 12.701 1.00 20.16 C ATOM 1020 H ILE B 13 56.014 67.228 12.585 1.00 0.00 H ATOM 1021 N LYS B 14 53.233 65.386 10.332 1.00 23.19 N ATOM 1022 CA LYS B 14 51.832 65.085 10.602 1.00 26.88 C ATOM 1023 C LYS B 14 51.618 63.588 10.440 1.00 25.88 C ATOM 1024 O LYS B 14 51.872 63.039 9.364 1.00 24.57 O ATOM 1025 CB LYS B 14 50.907 65.864 9.661 1.00 36.19 C ATOM 1026 CG LYS B 14 49.430 65.647 9.939 1.00 42.24 C ATOM 1027 CD LYS B 14 48.554 66.358 8.920 1.00 48.48 C ATOM 1028 CE LYS B 14 47.121 66.482 9.410 1.00 78.74 C ATOM 1029 NZ LYS B 14 46.137 65.950 8.428 1.00103.08 N ATOM 1030 HZ1 LYS B 14 46.219 66.479 7.536 1.00 0.00 H ATOM 1031 HZ2 LYS B 14 46.332 64.943 8.255 1.00 0.00 H ATOM 1032 HZ3 LYS B 14 45.175 66.058 8.809 1.00 0.00 H ATOM 1033 H LYS B 14 53.642 65.085 9.425 1.00 0.00 H ATOM 1034 N ILE B 15 51.161 62.930 11.504 1.00 30.55 N ATOM 1035 CA ILE B 15 50.881 61.498 11.479 1.00 33.77 C ATOM 1036 C ILE B 15 49.654 61.220 12.332 1.00 43.93 C ATOM 1037 O ILE B 15 49.471 61.824 13.394 1.00 37.60 O ATOM 1038 CB ILE B 15 52.074 60.660 11.981 1.00 36.14 C ATOM 1039 CG1 ILE B 15 51.693 59.171 11.980 1.00 40.59 C ATOM 1040 CG2 ILE B 15 52.508 61.135 13.367 1.00 31.26 C ATOM 1041 CD1 ILE B 15 52.778 58.245 12.429 1.00 40.64 C ATOM 1042 H ILE B 15 50.998 63.457 12.386 1.00 0.00 H ATOM 1043 N GLY B 16 48.827 60.281 11.874 1.00 46.66 N ATOM 1044 CA GLY B 16 47.649 59.868 12.610 1.00 51.08 C ATOM 1045 C GLY B 16 46.818 61.030 13.113 1.00 42.53 C ATOM 1046 O GLY B 16 46.182 60.934 14.166 1.00 46.83 O ATOM 1047 H GLY B 16 49.033 59.830 10.960 1.00 0.00 H ATOM 1048 N GLY B 17 46.821 62.134 12.370 1.00 35.58 N ATOM 1049 CA GLY B 17 46.087 63.319 12.762 1.00 41.95 C ATOM 1050 C GLY B 17 46.746 64.167 13.827 1.00 52.13 C ATOM 1051 O GLY B 17 46.070 65.015 14.422 1.00 47.80 O ATOM 1052 H GLY B 17 47.365 62.146 11.484 1.00 0.00 H ATOM 1053 N GLN B 18 48.040 63.975 14.088 1.00 42.95 N ATOM 1054 CA GLN B 18 48.764 64.732 15.100 1.00 38.30 C ATOM 1055 C GLN B 18 49.986 65.405 14.488 1.00 35.58 C ATOM 1056 O GLN B 18 50.639 64.851 13.599 1.00 33.77 O ATOM 1057 CB GLN B 18 49.221 63.829 16.254 1.00 41.70 C ATOM 1058 CG GLN B 18 48.097 63.240 17.087 1.00 41.72 C ATOM 1059 CD GLN B 18 48.611 62.516 18.319 1.00 48.41 C ATOM 1060 OE1 GLN B 18 49.477 61.644 18.228 1.00 46.07 O ATOM 1061 NE2 GLN B 18 48.086 62.883 19.482 1.00 49.51 N ATOM 1062 HE22 GLN B 18 47.357 63.624 19.513 1.00 0.00 H ATOM 1063 HE21 GLN B 18 48.404 62.430 20.362 1.00 0.00 H ATOM 1064 H GLN B 18 48.555 63.253 13.545 1.00 0.00 H ATOM 1065 N LEU B 19 50.298 66.601 14.983 1.00 25.95 N ATOM 1066 CA LEU B 19 51.512 67.314 14.604 1.00 24.68 C ATOM 1067 C LEU B 19 52.607 67.031 15.624 1.00 28.60 C ATOM 1068 O LEU B 19 52.368 67.110 16.834 1.00 24.82 O ATOM 1069 CB LEU B 19 51.264 68.820 14.513 1.00 31.63 C ATOM 1070 CG LEU B 19 50.219 69.311 13.512 1.00 34.86 C ATOM 1071 CD1 LEU B 19 50.309 70.823 13.395 1.00 33.95 C ATOM 1072 CD2 LEU B 19 50.385 68.655 12.151 1.00 37.17 C ATOM 1073 H LEU B 19 49.651 67.044 15.666 1.00 0.00 H ATOM 1074 N LYS B 20 53.804 66.712 15.132 1.00 26.07 N ATOM 1075 CA LYS B 20 54.935 66.369 15.981 1.00 21.95 C ATOM 1076 C LYS B 20 56.215 66.931 15.377 1.00 17.24 C ATOM 1077 O LYS B 20 56.274 67.255 14.191 1.00 24.85 O ATOM 1078 CB LYS B 20 55.072 64.848 16.145 1.00 18.89 C ATOM 1079 CG LYS B 20 53.835 64.153 16.698 1.00 29.86 C ATOM 1080 CD LYS B 20 53.928 62.652 16.516 1.00 24.33 C ATOM 1081 CE LYS B 20 52.767 61.927 17.184 1.00 37.59 C ATOM 1082 NZ LYS B 20 52.951 61.807 18.657 1.00 28.26 N ATOM 1083 HZ1 LYS B 20 53.822 61.274 18.854 1.00 0.00 H ATOM 1084 HZ2 LYS B 20 53.023 62.757 19.075 1.00 0.00 H ATOM 1085 HZ3 LYS B 20 52.137 61.307 19.067 1.00 0.00 H ATOM 1086 H LYS B 20 53.935 66.708 14.100 1.00 0.00 H ATOM 1087 N GLU B 21 57.246 67.040 16.216 1.00 19.16 N ATOM 1088 CA GLU B 21 58.593 67.392 15.780 1.00 24.50 C ATOM 1089 C GLU B 21 59.423 66.117 15.691 1.00 17.95 C ATOM 1090 O GLU B 21 59.374 65.282 16.598 1.00 18.14 O ATOM 1091 CB GLU B 21 59.249 68.380 16.749 1.00 23.39 C ATOM 1092 CG GLU B 21 58.629 69.764 16.747 1.00 36.83 C ATOM 1093 CD GLU B 21 58.803 70.466 15.419 1.00 32.38 C ATOM 1094 OE1 GLU B 21 57.828 70.518 14.642 1.00 46.03 O ATOM 1095 OE2 GLU B 21 59.921 70.954 15.145 1.00 38.04 O ATOM 1096 H GLU B 21 57.082 66.866 17.228 1.00 0.00 H ATOM 1097 N ALA B 22 60.177 65.969 14.600 1.00 21.71 N ATOM 1098 CA ALA B 22 60.925 64.747 14.344 1.00 19.61 C ATOM 1099 C ALA B 22 62.253 65.080 13.682 1.00 16.57 C ATOM 1100 O ALA B 22 62.379 66.080 12.972 1.00 17.82 O ATOM 1101 CB ALA B 22 60.142 63.772 13.446 1.00 15.79 C ATOM 1102 H ALA B 22 60.232 66.748 13.914 1.00 0.00 H ATOM 1103 N LEU B 23 63.241 64.222 13.924 1.00 17.43 N ATOM 1104 CA LEU B 23 64.559 64.361 13.319 1.00 17.85 C ATOM 1105 C LEU B 23 64.562 63.783 11.912 1.00 21.30 C ATOM 1106 O LEU B 23 64.079 62.668 11.692 1.00 20.70 O ATOM 1107 CB LEU B 23 65.615 63.625 14.146 1.00 16.03 C ATOM 1108 CG LEU B 23 66.180 64.240 15.414 1.00 31.93 C ATOM 1109 CD1 LEU B 23 67.194 63.274 16.011 1.00 31.64 C ATOM 1110 CD2 LEU B 23 66.829 65.565 15.112 1.00 25.29 C ATOM 1111 H LEU B 23 63.066 63.424 14.568 1.00 0.00 H ATOM 1112 N LEU B 24 65.139 64.524 10.968 1.00 19.41 N ATOM 1113 CA LEU B 24 65.508 63.960 9.672 1.00 16.60 C ATOM 1114 C LEU B 24 66.830 63.229 9.872 1.00 17.56 C ATOM 1115 O LEU B 24 67.889 63.856 9.961 1.00 17.38 O ATOM 1116 CB LEU B 24 65.632 65.052 8.615 1.00 20.38 C ATOM 1117 CG LEU B 24 64.406 65.942 8.399 1.00 22.26 C ATOM 1118 CD1 LEU B 24 64.698 66.982 7.328 1.00 30.04 C ATOM 1119 CD2 LEU B 24 63.198 65.104 8.015 1.00 27.76 C ATOM 1120 H LEU B 24 65.332 65.528 11.158 1.00 0.00 H ATOM 1121 N ASP B 25 66.777 61.898 9.933 1.00 16.10 N ATOM 1122 CA ASP B 25 67.899 61.089 10.405 1.00 17.07 C ATOM 1123 C ASP B 25 68.374 60.129 9.316 1.00 19.91 C ATOM 1124 O ASP B 25 67.795 59.053 9.127 1.00 16.60 O ATOM 1125 CB ASP B 25 67.501 60.322 11.660 1.00 15.09 C ATOM 1126 CG ASP B 25 68.687 59.701 12.354 1.00 18.44 C ATOM 1127 OD1 ASP B 25 69.796 59.745 11.781 1.00 16.51 O ATOM 1128 OD2 ASP B 25 68.517 59.181 13.475 1.00 16.30 O ATOM 1129 H ASP B 25 65.905 61.418 9.633 1.00 0.00 H ATOM 1130 N THR B 26 69.466 60.501 8.640 1.00 15.72 N ATOM 1131 CA THR B 26 70.069 59.639 7.632 1.00 16.55 C ATOM 1132 C THR B 26 70.713 58.401 8.239 1.00 16.44 C ATOM 1133 O THR B 26 71.014 57.454 7.506 1.00 20.55 O ATOM 1134 CB THR B 26 71.124 60.410 6.834 1.00 16.08 C ATOM 1135 OG1 THR B 26 72.172 60.843 7.711 1.00 17.44 O ATOM 1136 CG2 THR B 26 70.503 61.606 6.155 1.00 14.22 C ATOM 1137 HG1 THR B 26 72.593 60.054 8.135 1.00 0.00 H ATOM 1138 H THR B 26 69.895 61.427 8.838 1.00 0.00 H ATOM 1139 N GLY B 27 70.940 58.388 9.550 1.00 13.28 N ATOM 1140 CA GLY B 27 71.511 57.234 10.202 1.00 14.08 C ATOM 1141 C GLY B 27 70.519 56.164 10.592 1.00 16.28 C ATOM 1142 O GLY B 27 70.923 55.103 11.072 1.00 18.42 O ATOM 1143 H GLY B 27 70.701 59.227 10.117 1.00 0.00 H ATOM 1144 N ALA B 28 69.226 56.411 10.399 1.00 16.44 N ATOM 1145 CA ALA B 28 68.175 55.467 10.754 1.00 17.84 C ATOM 1146 C ALA B 28 67.633 54.818 9.487 1.00 17.61 C ATOM 1147 O ALA B 28 67.129 55.514 8.599 1.00 18.04 O ATOM 1148 CB ALA B 28 67.052 56.167 11.517 1.00 14.88 C ATOM 1149 H ALA B 28 68.953 57.320 9.975 1.00 0.00 H ATOM 1150 N ASP B 29 67.731 53.487 9.410 1.00 17.29 N ATOM 1151 CA ASP B 29 67.134 52.755 8.294 1.00 20.65 C ATOM 1152 C ASP B 29 65.641 53.033 8.200 1.00 19.51 C ATOM 1153 O ASP B 29 65.109 53.292 7.113 1.00 20.29 O ATOM 1154 CB ASP B 29 67.359 51.250 8.458 1.00 24.71 C ATOM 1155 CG ASP B 29 68.811 50.842 8.325 1.00 25.58 C ATOM 1156 OD1 ASP B 29 69.659 51.687 7.979 1.00 21.71 O ATOM 1157 OD2 ASP B 29 69.099 49.652 8.569 1.00 26.19 O ATOM 1158 H ASP B 29 68.238 52.966 10.153 1.00 0.00 H ATOM 1159 N ASP B 30 64.949 52.975 9.336 1.00 17.41 N ATOM 1160 CA ASP B 30 63.501 53.081 9.386 1.00 18.05 C ATOM 1161 C ASP B 30 63.074 54.129 10.403 1.00 18.03 C ATOM 1162 O ASP B 30 63.813 54.481 11.327 1.00 18.83 O ATOM 1163 CB ASP B 30 62.866 51.729 9.732 1.00 29.37 C ATOM 1164 CG ASP B 30 62.934 50.750 8.580 1.00 25.42 C ATOM 1165 OD1 ASP B 30 62.350 51.051 7.518 1.00 29.74 O ATOM 1166 OD2 ASP B 30 63.586 49.698 8.731 1.00 36.14 O ATOM 1167 H ASP B 30 65.469 52.848 10.228 1.00 0.00 H ATOM 1168 N THR B 31 61.846 54.601 10.215 1.00 20.20 N ATOM 1169 CA THR B 31 61.259 55.645 11.037 1.00 16.09 C ATOM 1170 C THR B 31 60.779 55.074 12.366 1.00 16.94 C ATOM 1171 O THR B 31 60.183 53.992 12.418 1.00 20.59 O ATOM 1172 CB THR B 31 60.101 56.292 10.269 1.00 16.65 C ATOM 1173 OG1 THR B 31 60.612 56.914 9.081 1.00 19.75 O ATOM 1174 CG2 THR B 31 59.355 57.327 11.098 1.00 19.45 C ATOM 1175 HG1 THR B 31 61.047 56.230 8.513 1.00 0.00 H ATOM 1176 H THR B 31 61.277 54.203 9.441 1.00 0.00 H ATOM 1177 N VAL B 32 61.051 55.805 13.445 1.00 14.77 N ATOM 1178 CA VAL B 32 60.665 55.408 14.795 1.00 14.29 C ATOM 1179 C VAL B 32 60.072 56.619 15.495 1.00 19.49 C ATOM 1180 O VAL B 32 60.720 57.667 15.580 1.00 18.60 O ATOM 1181 CB VAL B 32 61.857 54.870 15.607 1.00 17.29 C ATOM 1182 CG1 VAL B 32 61.357 54.201 16.896 1.00 19.08 C ATOM 1183 CG2 VAL B 32 62.692 53.911 14.777 1.00 26.09 C ATOM 1184 H VAL B 32 61.563 56.702 13.320 1.00 0.00 H ATOM 1185 N LEU B 33 58.857 56.470 16.013 1.00 16.34 N ATOM 1186 CA LEU B 33 58.172 57.556 16.693 1.00 15.62 C ATOM 1187 C LEU B 33 57.986 57.226 18.167 1.00 19.20 C ATOM 1188 O LEU B 33 57.853 56.061 18.554 1.00 19.69 O ATOM 1189 CB LEU B 33 56.815 57.836 16.056 1.00 19.72 C ATOM 1190 CG LEU B 33 56.850 58.201 14.572 1.00 20.14 C ATOM 1191 CD1 LEU B 33 55.444 58.431 14.093 1.00 28.01 C ATOM 1192 CD2 LEU B 33 57.711 59.428 14.304 1.00 16.21 C ATOM 1193 H LEU B 33 58.382 55.548 15.929 1.00 0.00 H ATOM 1194 N GLU B 34 57.971 58.274 18.984 1.00 19.35 N ATOM 1195 CA GLU B 34 57.704 58.122 20.403 1.00 21.06 C ATOM 1196 C GLU B 34 56.341 57.468 20.614 1.00 22.24 C ATOM 1197 O GLU B 34 55.466 57.494 19.744 1.00 18.73 O ATOM 1198 CB GLU B 34 57.750 59.480 21.100 1.00 18.83 C ATOM 1199 CG GLU B 34 59.107 60.164 21.019 1.00 18.76 C ATOM 1200 CD GLU B 34 59.065 61.617 21.448 1.00 32.87 C ATOM 1201 OE1 GLU B 34 60.057 62.339 21.199 1.00 23.75 O ATOM 1202 OE2 GLU B 34 58.043 62.038 22.028 1.00 31.93 O ATOM 1203 H GLU B 34 58.154 59.223 18.599 1.00 0.00 H ATOM 1204 N GLU B 35 56.166 56.892 21.802 1.00 19.43 N ATOM 1205 CA GLU B 35 54.963 56.130 22.114 1.00 26.79 C ATOM 1206 C GLU B 35 53.707 56.897 21.717 1.00 25.21 C ATOM 1207 O GLU B 35 53.551 58.075 22.042 1.00 20.59 O ATOM 1208 CB GLU B 35 54.936 55.804 23.610 1.00 31.19 C ATOM 1209 CG GLU B 35 53.797 54.891 24.026 1.00 38.93 C ATOM 1210 CD GLU B 35 53.767 53.602 23.230 1.00 50.09 C ATOM 1211 OE1 GLU B 35 54.849 53.020 23.004 1.00 34.59 O ATOM 1212 OE2 GLU B 35 52.666 53.179 22.821 1.00 55.35 O ATOM 1213 H GLU B 35 56.907 56.988 22.526 1.00 0.00 H ATOM 1214 N MET B 36 52.822 56.223 20.988 1.00 22.95 N ATOM 1215 CA MET B 36 51.538 56.794 20.609 1.00 33.49 C ATOM 1216 C MET B 36 50.589 55.644 20.317 1.00 33.62 C ATOM 1217 O MET B 36 51.018 54.530 20.015 1.00 30.02 O ATOM 1218 CB MET B 36 51.658 57.731 19.397 1.00 31.79 C ATOM 1219 CG MET B 36 51.980 57.041 18.076 1.00 35.43 C ATOM 1220 SD MET B 36 52.205 58.193 16.691 1.00 30.90 S ATOM 1221 CE MET B 36 50.631 59.047 16.683 1.00 39.43 C ATOM 1222 H MET B 36 53.055 55.258 20.679 1.00 0.00 H ATOM 1223 N ASN B 37 49.293 55.926 20.418 1.00 30.32 N ATOM 1224 CA ASN B 37 48.260 54.904 20.244 1.00 41.94 C ATOM 1225 C ASN B 37 47.731 54.994 18.816 1.00 39.74 C ATOM 1226 O ASN B 37 46.798 55.742 18.525 1.00 51.80 O ATOM 1227 CB ASN B 37 47.146 55.085 21.271 1.00 47.22 C ATOM 1228 CG ASN B 37 47.665 55.105 22.696 1.00 60.82 C ATOM 1229 OD1 ASN B 37 47.653 56.143 23.358 1.00 70.28 O ATOM 1230 ND2 ASN B 37 48.124 53.955 23.176 1.00 62.15 N ATOM 1231 HD22 ASN B 37 48.115 53.102 22.581 1.00 0.00 H ATOM 1232 HD21 ASN B 37 48.493 53.907 24.147 1.00 0.00 H ATOM 1233 H ASN B 37 49.005 56.903 20.627 1.00 0.00 H ATOM 1234 N LEU B 38 48.351 54.195 17.892 1.00 35.48 N ATOM 1235 CA LEU B 38 47.877 54.128 16.515 1.00 33.84 C ATOM 1236 C LEU B 38 46.900 52.970 16.335 1.00 41.47 C ATOM 1237 O LEU B 38 47.047 51.921 16.972 1.00 39.48 O ATOM 1238 CB LEU B 38 49.046 53.943 15.552 1.00 36.65 C ATOM 1239 CG LEU B 38 49.826 55.173 15.087 1.00 48.49 C ATOM 1240 CD1 LEU B 38 51.006 54.732 14.238 1.00 40.26 C ATOM 1241 CD2 LEU B 38 48.937 56.128 14.302 1.00 50.21 C ATOM 1242 H LEU B 38 49.174 53.627 18.178 1.00 0.00 H ATOM 1243 N PRO B 39 45.899 53.115 15.473 1.00 37.37 N ATOM 1244 CA PRO B 39 45.011 51.989 15.179 1.00 37.80 C ATOM 1245 C PRO B 39 45.634 51.039 14.167 1.00 29.21 C ATOM 1246 O PRO B 39 46.605 51.359 13.480 1.00 37.38 O ATOM 1247 CB PRO B 39 43.764 52.667 14.602 1.00 43.75 C ATOM 1248 CG PRO B 39 44.294 53.886 13.938 1.00 42.50 C ATOM 1249 CD PRO B 39 45.485 54.337 14.757 1.00 43.95 C ATOM 1250 N GLY B 40 45.053 49.847 14.090 1.00 40.65 N ATOM 1251 CA GLY B 40 45.442 48.870 13.093 1.00 42.38 C ATOM 1252 C GLY B 40 46.337 47.786 13.661 1.00 37.69 C ATOM 1253 O GLY B 40 46.662 47.746 14.852 1.00 38.07 O ATOM 1254 H GLY B 40 44.298 49.608 14.764 1.00 0.00 H ATOM 1255 N ARG B 41 46.738 46.892 12.764 1.00 37.89 N ATOM 1256 CA ARG B 41 47.577 45.764 13.125 1.00 35.52 C ATOM 1257 C ARG B 41 49.048 46.165 13.132 1.00 33.95 C ATOM 1258 O ARG B 41 49.470 47.115 12.466 1.00 26.04 O ATOM 1259 CB ARG B 41 47.361 44.604 12.153 1.00 32.19 C ATOM 1260 H ARG B 41 46.442 47.004 11.773 1.00 0.00 H ATOM 1261 N TRP B 42 49.834 45.412 13.894 1.00 28.74 N ATOM 1262 CA TRP B 42 51.253 45.693 14.035 1.00 27.34 C ATOM 1263 C TRP B 42 51.995 44.393 14.302 1.00 30.57 C ATOM 1264 O TRP B 42 51.393 43.344 14.548 1.00 30.65 O ATOM 1265 CB TRP B 42 51.510 46.693 15.159 1.00 21.82 C ATOM 1266 CG TRP B 42 50.897 46.298 16.467 1.00 25.23 C ATOM 1267 CD1 TRP B 42 49.607 46.505 16.862 1.00 37.34 C ATOM 1268 CD2 TRP B 42 51.548 45.634 17.555 1.00 34.18 C ATOM 1269 NE1 TRP B 42 49.415 46.010 18.128 1.00 36.11 N ATOM 1270 CE2 TRP B 42 50.592 45.470 18.576 1.00 33.07 C ATOM 1271 CE3 TRP B 42 52.847 45.163 17.765 1.00 30.65 C ATOM 1272 CZ2 TRP B 42 50.892 44.856 19.787 1.00 40.11 C ATOM 1273 CZ3 TRP B 42 53.143 44.554 18.971 1.00 29.74 C ATOM 1274 CH2 TRP B 42 52.171 44.404 19.964 1.00 41.82 C ATOM 1275 HE1 TRP B 42 48.522 46.040 18.660 1.00 0.00 H ATOM 1276 H TRP B 42 49.424 44.602 14.402 1.00 0.00 H ATOM 1277 N LYS B 43 53.322 44.482 14.255 1.00 24.51 N ATOM 1278 CA LYS B 43 54.196 43.349 14.495 1.00 25.63 C ATOM 1279 C LYS B 43 55.294 43.758 15.474 1.00 28.88 C ATOM 1280 O LYS B 43 55.859 44.848 15.336 1.00 21.34 O ATOM 1281 CB LYS B 43 54.825 42.863 13.183 1.00 26.20 C ATOM 1282 H LYS B 43 53.751 45.404 14.037 1.00 0.00 H ATOM 1283 N PRO B 44 55.614 42.917 16.460 1.00 24.62 N ATOM 1284 CA PRO B 44 56.703 43.262 17.383 1.00 22.85 C ATOM 1285 C PRO B 44 58.055 43.246 16.693 1.00 20.27 C ATOM 1286 O PRO B 44 58.318 42.440 15.798 1.00 24.23 O ATOM 1287 CB PRO B 44 56.624 42.168 18.458 1.00 31.01 C ATOM 1288 CG PRO B 44 55.299 41.530 18.282 1.00 26.28 C ATOM 1289 CD PRO B 44 54.967 41.651 16.843 1.00 24.17 C ATOM 1290 N LYS B 45 58.930 44.142 17.146 1.00 20.85 N ATOM 1291 CA LYS B 45 60.266 44.279 16.586 1.00 24.41 C ATOM 1292 C LYS B 45 61.183 44.848 17.658 1.00 19.78 C ATOM 1293 O LYS B 45 60.731 45.544 18.569 1.00 20.68 O ATOM 1294 CB LYS B 45 60.260 45.188 15.349 1.00 19.00 C ATOM 1295 CG LYS B 45 61.525 45.132 14.504 1.00 26.74 C ATOM 1296 CD LYS B 45 61.370 45.963 13.235 1.00 31.63 C ATOM 1297 CE LYS B 45 62.670 46.053 12.444 1.00 32.06 C ATOM 1298 NZ LYS B 45 63.121 44.730 11.928 1.00 51.11 N ATOM 1299 HZ1 LYS B 45 63.277 44.083 12.727 1.00 0.00 H ATOM 1300 HZ2 LYS B 45 62.391 44.337 11.300 1.00 0.00 H ATOM 1301 HZ3 LYS B 45 64.008 44.850 11.399 1.00 0.00 H ATOM 1302 H LYS B 45 58.648 44.766 17.928 1.00 0.00 H ATOM 1303 N MET B 46 62.473 44.533 17.548 1.00 18.46 N ATOM 1304 CA MET B 46 63.507 45.103 18.402 1.00 16.63 C ATOM 1305 C MET B 46 64.530 45.798 17.514 1.00 19.56 C ATOM 1306 O MET B 46 64.974 45.229 16.510 1.00 19.46 O ATOM 1307 CB MET B 46 64.173 44.025 19.273 1.00 26.54 C ATOM 1308 CG MET B 46 63.486 43.820 20.629 1.00 32.98 C ATOM 1309 SD MET B 46 64.120 42.427 21.582 1.00 60.27 S ATOM 1310 CE MET B 46 65.493 43.197 22.438 1.00 31.31 C ATOM 1311 H MET B 46 62.755 43.848 16.818 1.00 0.00 H ATOM 1312 N ILE B 47 64.880 47.031 17.867 1.00 16.11 N ATOM 1313 CA ILE B 47 65.820 47.836 17.097 1.00 19.82 C ATOM 1314 C ILE B 47 66.935 48.282 18.022 1.00 18.82 C ATOM 1315 O ILE B 47 66.693 48.603 19.195 1.00 17.85 O ATOM 1316 CB ILE B 47 65.134 49.049 16.437 1.00 20.26 C ATOM 1317 CG1 ILE B 47 64.513 49.962 17.502 1.00 20.92 C ATOM 1318 CG2 ILE B 47 64.085 48.573 15.459 1.00 19.17 C ATOM 1319 CD1 ILE B 47 63.985 51.276 16.959 1.00 20.99 C ATOM 1320 H ILE B 47 64.465 47.439 18.729 1.00 0.00 H ATOM 1321 N GLY B 48 68.155 48.303 17.498 1.00 22.08 N ATOM 1322 CA GLY B 48 69.338 48.505 18.303 1.00 26.14 C ATOM 1323 C GLY B 48 70.099 49.756 17.912 1.00 22.21 C ATOM 1324 O GLY B 48 70.106 50.163 16.750 1.00 17.82 O ATOM 1325 H GLY B 48 68.263 48.169 16.472 1.00 0.00 H ATOM 1326 N GLY B 49 70.736 50.356 18.897 1.00 19.70 N ATOM 1327 CA GLY B 49 71.604 51.484 18.672 1.00 18.19 C ATOM 1328 C GLY B 49 72.549 51.629 19.836 1.00 17.35 C ATOM 1329 O GLY B 49 72.812 50.675 20.567 1.00 17.54 O ATOM 1330 H GLY B 49 70.608 50.004 19.867 1.00 0.00 H ATOM 1331 N ILE B 50 73.056 52.848 20.022 1.00 19.31 N ATOM 1332 CA ILE B 50 73.923 53.099 21.164 1.00 16.82 C ATOM 1333 C ILE B 50 73.131 52.842 22.436 1.00 18.20 C ATOM 1334 O ILE B 50 72.020 53.355 22.612 1.00 20.44 O ATOM 1335 CB ILE B 50 74.491 54.525 21.104 1.00 20.15 C ATOM 1336 CG1 ILE B 50 75.590 54.591 20.041 1.00 19.74 C ATOM 1337 CG2 ILE B 50 75.051 54.954 22.470 1.00 18.10 C ATOM 1338 CD1 ILE B 50 76.043 56.006 19.687 1.00 21.45 C ATOM 1339 H ILE B 50 72.833 53.615 19.355 1.00 0.00 H ATOM 1340 N GLY B 51 73.692 52.019 23.318 1.00 16.91 N ATOM 1341 CA GLY B 51 73.058 51.662 24.564 1.00 19.27 C ATOM 1342 C GLY B 51 72.300 50.350 24.538 1.00 24.64 C ATOM 1343 O GLY B 51 71.968 49.824 25.607 1.00 21.47 O ATOM 1344 H GLY B 51 74.626 51.616 23.100 1.00 0.00 H ATOM 1345 N GLY B 52 72.007 49.809 23.354 1.00 16.66 N ATOM 1346 CA GLY B 52 71.334 48.532 23.243 1.00 24.61 C ATOM 1347 C GLY B 52 70.065 48.632 22.409 1.00 20.34 C ATOM 1348 O GLY B 52 69.966 49.452 21.490 1.00 19.00 O ATOM 1349 H GLY B 52 72.269 50.319 22.486 1.00 0.00 H ATOM 1350 N PHE B 53 69.095 47.787 22.750 1.00 21.26 N ATOM 1351 CA PHE B 53 67.880 47.629 21.963 1.00 18.20 C ATOM 1352 C PHE B 53 66.660 48.113 22.734 1.00 24.83 C ATOM 1353 O PHE B 53 66.626 48.083 23.969 1.00 18.91 O ATOM 1354 CB PHE B 53 67.672 46.165 21.560 1.00 20.50 C ATOM 1355 CG PHE B 53 68.644 45.678 20.521 1.00 17.55 C ATOM 1356 CD1 PHE B 53 69.966 45.444 20.850 1.00 23.08 C ATOM 1357 CD2 PHE B 53 68.235 45.448 19.218 1.00 17.38 C ATOM 1358 CE1 PHE B 53 70.861 44.997 19.902 1.00 19.83 C ATOM 1359 CE2 PHE B 53 69.133 45.006 18.265 1.00 23.47 C ATOM 1360 CZ PHE B 53 70.447 44.780 18.611 1.00 26.16 C ATOM 1361 H PHE B 53 69.209 47.217 23.612 1.00 0.00 H ATOM 1362 N ILE B 54 65.652 48.562 21.985 1.00 18.75 N ATOM 1363 CA ILE B 54 64.328 48.823 22.534 1.00 19.83 C ATOM 1364 C ILE B 54 63.313 48.015 21.740 1.00 26.49 C ATOM 1365 O ILE B 54 63.535 47.670 20.573 1.00 16.92 O ATOM 1366 CB ILE B 54 63.958 50.325 22.525 1.00 18.15 C ATOM 1367 CG1 ILE B 54 63.971 50.887 21.101 1.00 21.10 C ATOM 1368 CG2 ILE B 54 64.905 51.100 23.426 1.00 23.70 C ATOM 1369 CD1 ILE B 54 63.339 52.264 20.988 1.00 29.88 C ATOM 1370 H ILE B 54 65.817 48.732 20.972 1.00 0.00 H ATOM 1371 N LYS B 55 62.193 47.711 22.389 1.00 21.17 N ATOM 1372 CA LYS B 55 61.096 46.987 21.762 1.00 21.10 C ATOM 1373 C LYS B 55 60.106 47.987 21.184 1.00 18.69 C ATOM 1374 O LYS B 55 59.711 48.941 21.864 1.00 19.33 O ATOM 1375 CB LYS B 55 60.405 46.075 22.776 1.00 25.57 C ATOM 1376 H LYS B 55 62.097 48.002 23.383 1.00 0.00 H ATOM 1377 N VAL B 56 59.714 47.775 19.928 1.00 22.52 N ATOM 1378 CA VAL B 56 58.834 48.700 19.231 1.00 19.43 C ATOM 1379 C VAL B 56 57.736 47.918 18.523 1.00 20.87 C ATOM 1380 O VAL B 56 57.824 46.702 18.333 1.00 18.94 O ATOM 1381 CB VAL B 56 59.602 49.582 18.219 1.00 16.83 C ATOM 1382 CG1 VAL B 56 60.731 50.339 18.916 1.00 21.32 C ATOM 1383 CG2 VAL B 56 60.155 48.751 17.076 1.00 16.66 C ATOM 1384 H VAL B 56 60.047 46.924 19.432 1.00 0.00 H ATOM 1385 N ARG B 57 56.690 48.641 18.133 1.00 20.35 N ATOM 1386 CA ARG B 57 55.593 48.081 17.356 1.00 19.71 C ATOM 1387 C ARG B 57 55.734 48.572 15.921 1.00 19.09 C ATOM 1388 O ARG B 57 55.825 49.781 15.683 1.00 24.38 O ATOM 1389 CB ARG B 57 54.241 48.486 17.944 1.00 21.51 C ATOM 1390 CG ARG B 57 54.050 48.052 19.386 1.00 25.65 C ATOM 1391 CD ARG B 57 52.610 48.241 19.841 1.00 35.68 C ATOM 1392 NE ARG B 57 52.131 49.600 19.606 1.00 47.64 N ATOM 1393 CZ ARG B 57 52.464 50.652 20.349 1.00 51.94 C ATOM 1394 NH1 ARG B 57 51.973 51.847 20.058 1.00 46.97 N ATOM 1395 NH2 ARG B 57 53.291 50.513 21.377 1.00 47.10 N ATOM 1396 HE ARG B 57 51.487 49.756 18.805 1.00 0.00 H ATOM 1397 HH12 ARG B 57 52.232 52.671 20.638 1.00 0.00 H ATOM 1398 HH11 ARG B 57 51.328 51.962 19.250 1.00 0.00 H ATOM 1399 HH22 ARG B 57 53.547 51.340 21.954 1.00 0.00 H ATOM 1400 HH21 ARG B 57 53.683 49.577 21.606 1.00 0.00 H ATOM 1401 H ARG B 57 56.654 49.647 18.394 1.00 0.00 H ATOM 1402 N GLN B 58 55.773 47.639 14.975 1.00 19.92 N ATOM 1403 CA GLN B 58 55.933 47.973 13.566 1.00 17.25 C ATOM 1404 C GLN B 58 54.564 48.070 12.908 1.00 26.81 C ATOM 1405 O GLN B 58 53.832 47.076 12.836 1.00 23.25 O ATOM 1406 CB GLN B 58 56.795 46.932 12.854 1.00 15.80 C ATOM 1407 CG GLN B 58 56.876 47.117 11.338 1.00 21.47 C ATOM 1408 CD GLN B 58 57.724 46.065 10.656 1.00 32.07 C ATOM 1409 OE1 GLN B 58 58.536 45.394 11.292 1.00 39.23 O ATOM 1410 NE2 GLN B 58 57.537 45.915 9.350 1.00 36.49 N ATOM 1411 HE22 GLN B 58 56.839 46.505 8.853 1.00 0.00 H ATOM 1412 HE21 GLN B 58 58.088 45.208 8.824 1.00 0.00 H ATOM 1413 H GLN B 58 55.687 46.640 15.249 1.00 0.00 H ATOM 1414 N TYR B 59 54.221 49.265 12.441 1.00 22.03 N ATOM 1415 CA TYR B 59 53.040 49.480 11.617 1.00 24.79 C ATOM 1416 C TYR B 59 53.466 49.670 10.168 1.00 28.40 C ATOM 1417 O TYR B 59 54.487 50.307 9.890 1.00 23.56 O ATOM 1418 CB TYR B 59 52.256 50.707 12.081 1.00 25.38 C ATOM 1419 CG TYR B 59 51.668 50.591 13.464 1.00 26.17 C ATOM 1420 CD1 TYR B 59 52.419 50.908 14.585 1.00 25.26 C ATOM 1421 CD2 TYR B 59 50.355 50.177 13.648 1.00 32.21 C ATOM 1422 CE1 TYR B 59 51.887 50.809 15.850 1.00 19.90 C ATOM 1423 CE2 TYR B 59 49.811 50.076 14.913 1.00 27.93 C ATOM 1424 CZ TYR B 59 50.583 50.393 16.010 1.00 28.91 C ATOM 1425 OH TYR B 59 50.055 50.297 17.275 1.00 38.59 O ATOM 1426 HH TYR B 59 49.273 50.899 17.351 1.00 0.00 H ATOM 1427 H TYR B 59 54.821 50.082 12.674 1.00 0.00 H ATOM 1428 N ASP B 60 52.678 49.125 9.246 1.00 29.49 N ATOM 1429 CA ASP B 60 52.982 49.195 7.825 1.00 29.31 C ATOM 1430 C ASP B 60 52.058 50.189 7.132 1.00 30.52 C ATOM 1431 O ASP B 60 50.917 50.405 7.552 1.00 27.86 O ATOM 1432 CB ASP B 60 52.849 47.817 7.163 1.00 40.16 C ATOM 1433 CG ASP B 60 53.838 46.801 7.713 1.00 44.73 C ATOM 1434 OD1 ASP B 60 54.897 47.212 8.231 1.00 37.90 O ATOM 1435 OD2 ASP B 60 53.556 45.588 7.619 1.00 52.60 O ATOM 1436 H ASP B 60 51.815 48.632 9.551 1.00 0.00 H ATOM 1437 N GLN B 61 52.574 50.805 6.068 1.00 26.97 N ATOM 1438 CA GLN B 61 51.786 51.694 5.213 1.00 37.20 C ATOM 1439 C GLN B 61 51.115 52.804 6.020 1.00 32.23 C ATOM 1440 O GLN B 61 49.906 53.027 5.931 1.00 35.60 O ATOM 1441 CB GLN B 61 50.750 50.894 4.420 1.00 33.37 C ATOM 1442 CG GLN B 61 51.366 49.924 3.434 1.00 33.04 C ATOM 1443 CD GLN B 61 52.243 50.624 2.417 1.00 49.39 C ATOM 1444 OE1 GLN B 61 53.469 50.514 2.456 1.00 46.48 O ATOM 1445 NE2 GLN B 61 51.618 51.358 1.505 1.00 63.67 N ATOM 1446 HE22 GLN B 61 50.580 51.422 1.511 1.00 0.00 H ATOM 1447 HE21 GLN B 61 52.166 51.870 0.784 1.00 0.00 H ATOM 1448 H GLN B 61 53.576 50.648 5.837 1.00 0.00 H ATOM 1449 N ILE B 62 51.918 53.516 6.808 1.00 26.15 N ATOM 1450 CA ILE B 62 51.446 54.650 7.594 1.00 25.88 C ATOM 1451 C ILE B 62 51.782 55.928 6.840 1.00 23.59 C ATOM 1452 O ILE B 62 52.921 56.113 6.397 1.00 26.38 O ATOM 1453 CB ILE B 62 52.084 54.663 8.994 1.00 32.50 C ATOM 1454 CG1 ILE B 62 51.777 53.361 9.744 1.00 26.68 C ATOM 1455 CG2 ILE B 62 51.609 55.871 9.787 1.00 22.28 C ATOM 1456 CD1 ILE B 62 50.307 53.116 10.010 1.00 33.45 C ATOM 1457 H ILE B 62 52.923 53.253 6.865 1.00 0.00 H ATOM 1458 N LEU B 63 50.801 56.818 6.714 1.00 27.87 N ATOM 1459 CA LEU B 63 50.992 58.086 6.023 1.00 27.16 C ATOM 1460 C LEU B 63 51.579 59.112 6.985 1.00 25.52 C ATOM 1461 O LEU B 63 51.067 59.298 8.092 1.00 27.48 O ATOM 1462 CB LEU B 63 49.664 58.587 5.450 1.00 31.77 C ATOM 1463 CG LEU B 63 49.637 59.867 4.598 1.00 44.08 C ATOM 1464 CD1 LEU B 63 49.637 61.139 5.440 1.00 40.03 C ATOM 1465 CD2 LEU B 63 50.786 59.895 3.608 1.00 33.99 C ATOM 1466 H LEU B 63 49.869 56.602 7.122 1.00 0.00 H ATOM 1467 N ILE B 64 52.660 59.762 6.560 1.00 30.91 N ATOM 1468 CA ILE B 64 53.268 60.866 7.292 1.00 27.39 C ATOM 1469 C ILE B 64 53.501 62.006 6.314 1.00 34.34 C ATOM 1470 O ILE B 64 53.967 61.786 5.191 1.00 32.47 O ATOM 1471 CB ILE B 64 54.599 60.464 7.963 1.00 29.99 C ATOM 1472 CG1 ILE B 64 54.357 59.375 9.014 1.00 33.94 C ATOM 1473 CG2 ILE B 64 55.280 61.690 8.580 1.00 28.76 C ATOM 1474 CD1 ILE B 64 55.585 58.989 9.827 1.00 29.39 C ATOM 1475 H ILE B 64 53.092 59.468 5.661 1.00 0.00 H ATOM 1476 N GLU B 65 53.194 63.225 6.747 1.00 24.53 N ATOM 1477 CA GLU B 65 53.442 64.425 5.961 1.00 25.76 C ATOM 1478 C GLU B 65 54.600 65.187 6.593 1.00 29.37 C ATOM 1479 O GLU B 65 54.502 65.628 7.743 1.00 23.45 O ATOM 1480 CB GLU B 65 52.191 65.297 5.891 1.00 30.92 C ATOM 1481 CG GLU B 65 52.276 66.421 4.882 1.00 32.79 C ATOM 1482 CD GLU B 65 50.975 67.191 4.770 1.00 41.43 C ATOM 1483 OE1 GLU B 65 49.902 66.572 4.934 1.00 39.36 O ATOM 1484 OE2 GLU B 65 51.024 68.415 4.527 1.00 52.37 O ATOM 1485 H GLU B 65 52.759 63.325 7.686 1.00 0.00 H ATOM 1486 N ILE B 66 55.687 65.336 5.844 1.00 29.13 N ATOM 1487 CA ILE B 66 56.914 65.961 6.329 1.00 33.94 C ATOM 1488 C ILE B 66 57.088 67.274 5.578 1.00 33.97 C ATOM 1489 O ILE B 66 57.408 67.281 4.382 1.00 35.20 O ATOM 1490 CB ILE B 66 58.129 65.043 6.138 1.00 35.07 C ATOM 1491 CG1 ILE B 66 57.917 63.722 6.878 1.00 35.24 C ATOM 1492 CG2 ILE B 66 59.402 65.712 6.645 1.00 39.81 C ATOM 1493 CD1 ILE B 66 58.579 62.533 6.216 1.00 28.40 C ATOM 1494 H ILE B 66 55.663 64.990 4.863 1.00 0.00 H ATOM 1495 N CYS B 67 56.882 68.388 6.279 1.00 37.06 N ATOM 1496 CA CYS B 67 57.004 69.721 5.691 1.00 27.47 C ATOM 1497 C CYS B 67 56.203 69.822 4.396 1.00 38.81 C ATOM 1498 O CYS B 67 56.675 70.331 3.377 1.00 39.02 O ATOM 1499 CB CYS B 67 58.470 70.081 5.450 1.00 46.31 C ATOM 1500 SG CYS B 67 59.446 70.238 6.955 1.00 51.69 S ATOM 1501 H CYS B 67 56.624 68.306 7.283 1.00 0.00 H ATOM 1502 N GLY B 68 54.969 69.322 4.441 1.00 39.31 N ATOM 1503 CA GLY B 68 54.097 69.346 3.287 1.00 41.10 C ATOM 1504 C GLY B 68 54.338 68.251 2.271 1.00 40.94 C ATOM 1505 O GLY B 68 53.556 68.135 1.317 1.00 42.65 O ATOM 1506 H GLY B 68 54.624 68.904 5.328 1.00 0.00 H ATOM 1507 N HIS B 69 55.389 67.449 2.430 1.00 30.87 N ATOM 1508 CA HIS B 69 55.663 66.331 1.535 1.00 30.85 C ATOM 1509 C HIS B 69 55.076 65.052 2.118 1.00 35.65 C ATOM 1510 O HIS B 69 55.372 64.692 3.261 1.00 31.61 O ATOM 1511 CB HIS B 69 57.168 66.163 1.323 1.00 31.12 C ATOM 1512 CG HIS B 69 57.812 67.314 0.615 1.00 34.91 C ATOM 1513 ND1 HIS B 69 58.234 67.239 -0.694 1.00 29.82 N ATOM 1514 CD2 HIS B 69 58.106 68.568 1.035 1.00 36.83 C ATOM 1515 CE1 HIS B 69 58.761 68.397 -1.051 1.00 37.03 C ATOM 1516 NE2 HIS B 69 58.697 69.220 -0.021 1.00 33.12 N ATOM 1517 H HIS B 69 56.039 67.627 3.222 1.00 0.00 H ATOM 1518 N LYS B 70 54.255 64.363 1.330 1.00 29.45 N ATOM 1519 CA LYS B 70 53.591 63.155 1.794 1.00 25.06 C ATOM 1520 C LYS B 70 54.488 61.941 1.590 1.00 28.05 C ATOM 1521 O LYS B 70 55.198 61.835 0.586 1.00 26.97 O ATOM 1522 CB LYS B 70 52.259 62.962 1.068 1.00 31.35 C ATOM 1523 CG LYS B 70 51.205 64.006 1.434 1.00 40.25 C ATOM 1524 CD LYS B 70 49.846 63.674 0.832 1.00 46.24 C ATOM 1525 CE LYS B 70 48.816 64.753 1.132 1.00 42.01 C ATOM 1526 NZ LYS B 70 49.109 66.026 0.423 1.00 56.80 N ATOM 1527 HZ1 LYS B 70 50.041 66.379 0.718 1.00 0.00 H ATOM 1528 HZ2 LYS B 70 49.110 65.858 -0.603 1.00 0.00 H ATOM 1529 HZ3 LYS B 70 48.380 66.729 0.659 1.00 0.00 H ATOM 1530 H LYS B 70 54.084 64.696 0.360 1.00 0.00 H ATOM 1531 N ALA B 71 54.453 61.026 2.557 1.00 30.21 N ATOM 1532 CA ALA B 71 55.218 59.791 2.483 1.00 28.32 C ATOM 1533 C ALA B 71 54.444 58.708 3.217 1.00 26.78 C ATOM 1534 O ALA B 71 53.763 58.983 4.207 1.00 33.73 O ATOM 1535 CB ALA B 71 56.618 59.954 3.085 1.00 32.80 C ATOM 1536 H ALA B 71 53.859 61.200 3.393 1.00 0.00 H ATOM 1537 N ILE B 72 54.543 57.478 2.720 1.00 25.03 N ATOM 1538 CA ILE B 72 53.802 56.358 3.291 1.00 25.19 C ATOM 1539 C ILE B 72 54.718 55.145 3.360 1.00 27.01 C ATOM 1540 O ILE B 72 55.332 54.762 2.360 1.00 23.33 O ATOM 1541 CB ILE B 72 52.527 56.043 2.483 1.00 34.71 C ATOM 1542 CG1 ILE B 72 51.803 54.837 3.086 1.00 34.85 C ATOM 1543 CG2 ILE B 72 52.860 55.793 1.025 1.00 34.71 C ATOM 1544 CD1 ILE B 72 50.310 54.826 2.821 1.00 43.95 C ATOM 1545 H ILE B 72 55.165 57.310 1.903 1.00 0.00 H ATOM 1546 N GLY B 73 54.809 54.543 4.538 1.00 25.74 N ATOM 1547 CA GLY B 73 55.679 53.400 4.706 1.00 34.16 C ATOM 1548 C GLY B 73 55.686 52.912 6.135 1.00 24.02 C ATOM 1549 O GLY B 73 54.785 53.215 6.919 1.00 22.47 O ATOM 1550 H GLY B 73 54.253 54.894 5.344 1.00 0.00 H ATOM 1551 N THR B 74 56.728 52.153 6.460 1.00 20.64 N ATOM 1552 CA THR B 74 56.831 51.522 7.768 1.00 24.71 C ATOM 1553 C THR B 74 57.117 52.565 8.839 1.00 20.65 C ATOM 1554 O THR B 74 57.998 53.415 8.674 1.00 22.17 O ATOM 1555 CB THR B 74 57.932 50.462 7.749 1.00 31.39 C ATOM 1556 OG1 THR B 74 57.570 49.416 6.841 1.00 26.52 O ATOM 1557 CG2 THR B 74 58.146 49.865 9.133 1.00 27.59 C ATOM 1558 HG1 THR B 74 58.283 48.730 6.829 1.00 0.00 H ATOM 1559 H THR B 74 57.487 52.007 5.764 1.00 0.00 H ATOM 1560 N VAL B 75 56.374 52.492 9.940 1.00 19.06 N ATOM 1561 CA VAL B 75 56.573 53.364 11.091 1.00 19.56 C ATOM 1562 C VAL B 75 56.652 52.485 12.330 1.00 23.23 C ATOM 1563 O VAL B 75 55.703 51.754 12.638 1.00 25.37 O ATOM 1564 CB VAL B 75 55.446 54.402 11.231 1.00 29.46 C ATOM 1565 CG1 VAL B 75 55.584 55.198 12.529 1.00 24.38 C ATOM 1566 CG2 VAL B 75 55.451 55.340 10.039 1.00 23.25 C ATOM 1567 H VAL B 75 55.617 51.780 9.981 1.00 0.00 H ATOM 1568 N LEU B 76 57.786 52.538 13.020 1.00 18.78 N ATOM 1569 CA LEU B 76 57.959 51.853 14.291 1.00 21.67 C ATOM 1570 C LEU B 76 57.554 52.784 15.423 1.00 26.40 C ATOM 1571 O LEU B 76 57.797 53.994 15.364 1.00 24.01 O ATOM 1572 CB LEU B 76 59.412 51.409 14.466 1.00 19.58 C ATOM 1573 CG LEU B 76 60.023 50.686 13.256 1.00 17.20 C ATOM 1574 CD1 LEU B 76 61.494 50.380 13.481 1.00 18.99 C ATOM 1575 CD2 LEU B 76 59.265 49.414 12.951 1.00 20.89 C ATOM 1576 H LEU B 76 58.580 53.090 12.637 1.00 0.00 H ATOM 1577 N VAL B 77 56.936 52.217 16.457 1.00 17.05 N ATOM 1578 CA VAL B 77 56.463 52.990 17.599 1.00 15.18 C ATOM 1579 C VAL B 77 56.939 52.315 18.875 1.00 19.89 C ATOM 1580 O VAL B 77 56.723 51.114 19.070 1.00 19.36 O ATOM 1581 CB VAL B 77 54.929 53.137 17.606 1.00 19.71 C ATOM 1582 CG1 VAL B 77 54.469 53.901 18.851 1.00 24.75 C ATOM 1583 CG2 VAL B 77 54.462 53.855 16.354 1.00 22.04 C ATOM 1584 H VAL B 77 56.786 51.188 16.450 1.00 0.00 H ATOM 1585 N GLY B 78 57.586 53.087 19.737 1.00 23.04 N ATOM 1586 CA GLY B 78 58.113 52.563 20.970 1.00 18.37 C ATOM 1587 C GLY B 78 58.746 53.645 21.814 1.00 22.89 C ATOM 1588 O GLY B 78 58.665 54.839 21.505 1.00 20.47 O ATOM 1589 H GLY B 78 57.716 54.095 19.517 1.00 0.00 H ATOM 1590 N PRO B 79 59.392 53.244 22.904 1.00 20.07 N ATOM 1591 CA PRO B 79 59.922 54.215 23.876 1.00 23.08 C ATOM 1592 C PRO B 79 61.221 54.868 23.414 1.00 27.40 C ATOM 1593 O PRO B 79 62.249 54.834 24.094 1.00 24.56 O ATOM 1594 CB PRO B 79 60.108 53.351 25.129 1.00 17.69 C ATOM 1595 CG PRO B 79 60.397 51.988 24.606 1.00 23.97 C ATOM 1596 CD PRO B 79 59.582 51.849 23.349 1.00 21.33 C ATOM 1597 N THR B 80 61.174 55.486 22.244 1.00 26.11 N ATOM 1598 CA THR B 80 62.306 56.280 21.811 1.00 19.43 C ATOM 1599 C THR B 80 62.255 57.659 22.464 1.00 18.09 C ATOM 1600 O THR B 80 61.174 58.214 22.685 1.00 19.52 O ATOM 1601 CB THR B 80 62.310 56.428 20.295 1.00 25.99 C ATOM 1602 OG1 THR B 80 63.400 57.270 19.904 1.00 21.58 O ATOM 1603 CG2 THR B 80 60.998 57.041 19.796 1.00 20.23 C ATOM 1604 HG1 THR B 80 63.295 58.160 20.324 1.00 0.00 H ATOM 1605 H THR B 80 60.331 55.402 21.641 1.00 0.00 H ATOM 1606 N PRO B 81 63.417 58.237 22.788 1.00 19.99 N ATOM 1607 CA PRO B 81 63.425 59.594 23.352 1.00 21.51 C ATOM 1608 C PRO B 81 63.181 60.690 22.332 1.00 27.18 C ATOM 1609 O PRO B 81 63.013 61.854 22.724 1.00 26.31 O ATOM 1610 CB PRO B 81 64.834 59.709 23.949 1.00 30.66 C ATOM 1611 CG PRO B 81 65.666 58.835 23.094 1.00 22.22 C ATOM 1612 CD PRO B 81 64.775 57.674 22.694 1.00 20.73 C ATOM 1613 N VAL B 82 63.162 60.364 21.041 1.00 19.58 N ATOM 1614 CA VAL B 82 63.007 61.358 19.988 1.00 22.08 C ATOM 1615 C VAL B 82 62.238 60.721 18.840 1.00 16.31 C ATOM 1616 O VAL B 82 62.376 59.525 18.569 1.00 18.03 O ATOM 1617 CB VAL B 82 64.382 61.891 19.509 1.00 23.10 C ATOM 1618 CG1 VAL B 82 64.213 62.892 18.371 1.00 32.42 C ATOM 1619 CG2 VAL B 82 65.146 62.530 20.659 1.00 32.65 C ATOM 1620 H VAL B 82 63.261 59.363 20.775 1.00 0.00 H ATOM 1621 N ASN B 83 61.413 61.526 18.172 1.00 19.66 N ATOM 1622 CA ASN B 83 60.795 61.101 16.921 1.00 16.40 C ATOM 1623 C ASN B 83 61.857 61.128 15.829 1.00 18.41 C ATOM 1624 O ASN B 83 62.548 62.136 15.655 1.00 18.41 O ATOM 1625 CB ASN B 83 59.630 62.016 16.534 1.00 22.75 C ATOM 1626 CG ASN B 83 58.456 61.932 17.496 1.00 19.98 C ATOM 1627 OD1 ASN B 83 57.954 60.850 17.803 1.00 18.16 O ATOM 1628 ND2 ASN B 83 58.000 63.091 17.962 1.00 19.89 N ATOM 1629 HD22 ASN B 83 58.455 63.982 17.676 1.00 0.00 H ATOM 1630 HD21 ASN B 83 57.189 63.107 18.612 1.00 0.00 H ATOM 1631 H ASN B 83 61.206 62.473 18.549 1.00 0.00 H ATOM 1632 N ILE B 84 61.983 60.029 15.086 1.00 14.40 N ATOM 1633 CA ILE B 84 63.052 59.862 14.104 1.00 17.21 C ATOM 1634 C ILE B 84 62.429 59.527 12.756 1.00 19.42 C ATOM 1635 O ILE B 84 61.738 58.511 12.630 1.00 17.70 O ATOM 1636 CB ILE B 84 64.039 58.760 14.524 1.00 16.72 C ATOM 1637 CG1 ILE B 84 64.747 59.154 15.821 1.00 21.23 C ATOM 1638 CG2 ILE B 84 65.067 58.482 13.417 1.00 17.60 C ATOM 1639 CD1 ILE B 84 65.456 58.007 16.496 1.00 22.56 C ATOM 1640 H ILE B 84 61.294 59.260 15.210 1.00 0.00 H ATOM 1641 N ILE B 85 62.677 60.370 11.755 1.00 15.38 N ATOM 1642 CA ILE B 85 62.310 60.071 10.373 1.00 16.67 C ATOM 1643 C ILE B 85 63.509 59.399 9.717 1.00 15.13 C ATOM 1644 O ILE B 85 64.567 60.014 9.555 1.00 16.82 O ATOM 1645 CB ILE B 85 61.894 61.328 9.601 1.00 20.24 C ATOM 1646 CG1 ILE B 85 60.781 62.079 10.334 1.00 19.24 C ATOM 1647 CG2 ILE B 85 61.454 60.956 8.182 1.00 18.52 C ATOM 1648 CD1 ILE B 85 59.522 61.258 10.592 1.00 23.61 C ATOM 1649 H ILE B 85 63.149 61.273 11.965 1.00 0.00 H ATOM 1650 N GLY B 86 63.341 58.131 9.335 1.00 14.27 N ATOM 1651 CA GLY B 86 64.420 57.348 8.774 1.00 14.54 C ATOM 1652 C GLY B 86 64.407 57.347 7.256 1.00 15.20 C ATOM 1653 O GLY B 86 63.550 57.944 6.609 1.00 16.61 O ATOM 1654 H GLY B 86 62.404 57.692 9.444 1.00 0.00 H ATOM 1655 N ARG B 87 65.383 56.633 6.689 1.00 15.27 N ATOM 1656 CA ARG B 87 65.590 56.673 5.244 1.00 19.53 C ATOM 1657 C ARG B 87 64.380 56.151 4.479 1.00 20.03 C ATOM 1658 O ARG B 87 64.118 56.603 3.358 1.00 19.94 O ATOM 1659 CB ARG B 87 66.837 55.871 4.870 1.00 18.66 C ATOM 1660 CG ARG B 87 68.142 56.521 5.306 1.00 17.04 C ATOM 1661 CD ARG B 87 69.365 55.770 4.782 1.00 20.24 C ATOM 1662 NE ARG B 87 69.453 54.402 5.296 1.00 18.32 N ATOM 1663 CZ ARG B 87 69.146 53.296 4.617 1.00 24.88 C ATOM 1664 NH1 ARG B 87 68.718 53.351 3.363 1.00 23.77 N ATOM 1665 NH2 ARG B 87 69.274 52.114 5.205 1.00 21.95 N ATOM 1666 HE ARG B 87 69.783 54.282 6.275 1.00 0.00 H ATOM 1667 HH12 ARG B 87 68.485 52.474 2.854 1.00 0.00 H ATOM 1668 HH11 ARG B 87 68.616 54.271 2.888 1.00 0.00 H ATOM 1669 HH22 ARG B 87 69.037 51.246 4.684 1.00 0.00 H ATOM 1670 HH21 ARG B 87 69.611 52.056 6.187 1.00 0.00 H ATOM 1671 H ARG B 87 66.001 56.043 7.282 1.00 0.00 H ATOM 1672 N ASN B 88 63.630 55.209 5.059 1.00 16.86 N ATOM 1673 CA ASN B 88 62.493 54.635 4.342 1.00 20.83 C ATOM 1674 C ASN B 88 61.488 55.707 3.933 1.00 22.10 C ATOM 1675 O ASN B 88 60.805 55.558 2.915 1.00 19.83 O ATOM 1676 CB ASN B 88 61.814 53.551 5.190 1.00 19.97 C ATOM 1677 CG ASN B 88 61.035 54.113 6.361 1.00 21.91 C ATOM 1678 OD1 ASN B 88 61.541 54.930 7.126 1.00 20.09 O ATOM 1679 ND2 ASN B 88 59.791 53.666 6.511 1.00 21.31 N ATOM 1680 HD22 ASN B 88 59.403 52.974 5.839 1.00 0.00 H ATOM 1681 HD21 ASN B 88 59.207 54.009 7.300 1.00 0.00 H ATOM 1682 H ASN B 88 63.856 54.884 6.021 1.00 0.00 H ATOM 1683 N LEU B 89 61.397 56.799 4.690 1.00 20.54 N ATOM 1684 CA LEU B 89 60.525 57.908 4.322 1.00 17.45 C ATOM 1685 C LEU B 89 61.281 59.103 3.760 1.00 25.48 C ATOM 1686 O LEU B 89 60.713 59.862 2.966 1.00 20.46 O ATOM 1687 CB LEU B 89 59.698 58.358 5.530 1.00 19.41 C ATOM 1688 CG LEU B 89 58.817 57.277 6.170 1.00 26.72 C ATOM 1689 CD1 LEU B 89 57.949 57.883 7.257 1.00 25.27 C ATOM 1690 CD2 LEU B 89 57.952 56.564 5.141 1.00 20.86 C ATOM 1691 H LEU B 89 61.960 56.862 5.562 1.00 0.00 H ATOM 1692 N LEU B 90 62.548 59.293 4.143 1.00 20.15 N ATOM 1693 CA LEU B 90 63.317 60.407 3.597 1.00 14.73 C ATOM 1694 C LEU B 90 63.419 60.315 2.081 1.00 19.80 C ATOM 1695 O LEU B 90 63.316 61.331 1.384 1.00 25.30 O ATOM 1696 CB LEU B 90 64.712 60.443 4.216 1.00 13.29 C ATOM 1697 CG LEU B 90 64.799 60.795 5.704 1.00 12.60 C ATOM 1698 CD1 LEU B 90 66.234 60.640 6.179 1.00 18.59 C ATOM 1699 CD2 LEU B 90 64.290 62.201 5.990 1.00 17.52 C ATOM 1700 H LEU B 90 62.986 58.647 4.830 1.00 0.00 H ATOM 1701 N THR B 91 63.637 59.107 1.554 1.00 19.90 N ATOM 1702 CA THR B 91 63.707 58.935 0.106 1.00 21.84 C ATOM 1703 C THR B 91 62.417 59.377 -0.567 1.00 27.86 C ATOM 1704 O THR B 91 62.446 59.883 -1.695 1.00 29.17 O ATOM 1705 CB THR B 91 63.980 57.474 -0.245 1.00 28.82 C ATOM 1706 OG1 THR B 91 62.929 56.659 0.286 1.00 27.06 O ATOM 1707 CG2 THR B 91 65.321 57.011 0.315 1.00 30.03 C ATOM 1708 HG1 THR B 91 62.896 56.765 1.270 1.00 0.00 H ATOM 1709 H THR B 91 63.758 58.284 2.179 1.00 0.00 H ATOM 1710 N GLN B 92 61.281 59.193 0.106 1.00 22.42 N ATOM 1711 CA GLN B 92 59.992 59.460 -0.518 1.00 26.46 C ATOM 1712 C GLN B 92 59.714 60.951 -0.621 1.00 30.03 C ATOM 1713 O GLN B 92 58.952 61.377 -1.496 1.00 31.75 O ATOM 1714 CB GLN B 92 58.882 58.766 0.267 1.00 27.89 C ATOM 1715 CG GLN B 92 59.037 57.258 0.340 1.00 20.20 C ATOM 1716 CD GLN B 92 57.840 56.586 0.979 1.00 23.19 C ATOM 1717 OE1 GLN B 92 56.743 57.142 1.000 1.00 28.82 O ATOM 1718 NE2 GLN B 92 58.048 55.389 1.515 1.00 29.70 N ATOM 1719 HE22 GLN B 92 58.993 54.958 1.473 1.00 0.00 H ATOM 1720 HE21 GLN B 92 57.265 54.883 1.977 1.00 0.00 H ATOM 1721 H GLN B 92 61.315 58.855 1.089 1.00 0.00 H ATOM 1722 N ILE B 93 60.306 61.761 0.264 1.00 22.44 N ATOM 1723 CA ILE B 93 60.132 63.208 0.189 1.00 24.30 C ATOM 1724 C ILE B 93 61.237 63.881 -0.610 1.00 23.61 C ATOM 1725 O ILE B 93 61.245 65.115 -0.722 1.00 31.95 O ATOM 1726 CB ILE B 93 60.037 63.826 1.599 1.00 27.30 C ATOM 1727 CG1 ILE B 93 61.355 63.664 2.366 1.00 22.34 C ATOM 1728 CG2 ILE B 93 58.878 63.187 2.357 1.00 26.32 C ATOM 1729 CD1 ILE B 93 61.372 64.372 3.703 1.00 23.30 C ATOM 1730 H ILE B 93 60.898 61.354 1.016 1.00 0.00 H ATOM 1731 N GLY B 94 62.164 63.113 -1.177 1.00 25.49 N ATOM 1732 CA GLY B 94 63.203 63.680 -2.013 1.00 31.36 C ATOM 1733 C GLY B 94 64.393 64.231 -1.263 1.00 35.19 C ATOM 1734 O GLY B 94 65.066 65.138 -1.767 1.00 26.75 O ATOM 1735 H GLY B 94 62.142 62.086 -1.017 1.00 0.00 H ATOM 1736 N CYS B 95 64.684 63.702 -0.076 1.00 21.23 N ATOM 1737 CA CYS B 95 65.762 64.212 0.761 1.00 21.88 C ATOM 1738 C CYS B 95 67.099 63.605 0.351 1.00 22.64 C ATOM 1739 O CYS B 95 67.207 62.390 0.162 1.00 26.86 O ATOM 1740 CB CYS B 95 65.473 63.915 2.232 1.00 32.50 C ATOM 1741 SG CYS B 95 66.625 64.685 3.381 1.00 26.48 S ATOM 1742 H CYS B 95 64.122 62.896 0.266 1.00 0.00 H ATOM 1743 N THR B 96 68.110 64.462 0.210 1.00 20.08 N ATOM 1744 CA THR B 96 69.463 64.042 -0.121 1.00 20.35 C ATOM 1745 C THR B 96 70.454 64.727 0.812 1.00 20.80 C ATOM 1746 O THR B 96 70.171 65.782 1.382 1.00 21.64 O ATOM 1747 CB THR B 96 69.828 64.373 -1.580 1.00 27.09 C ATOM 1748 OG1 THR B 96 69.690 65.782 -1.810 1.00 24.91 O ATOM 1749 CG2 THR B 96 68.933 63.614 -2.545 1.00 33.64 C ATOM 1750 HG1 THR B 96 68.754 66.053 -1.637 1.00 0.00 H ATOM 1751 H THR B 96 67.923 65.476 0.343 1.00 0.00 H ATOM 1752 N LEU B 97 71.618 64.101 0.967 1.00 19.70 N ATOM 1753 CA LEU B 97 72.766 64.725 1.608 1.00 26.72 C ATOM 1754 C LEU B 97 73.635 65.377 0.544 1.00 31.79 C ATOM 1755 O LEU B 97 73.749 64.875 -0.577 1.00 26.63 O ATOM 1756 CB LEU B 97 73.599 63.704 2.387 1.00 28.29 C ATOM 1757 CG LEU B 97 73.116 63.220 3.749 1.00 25.92 C ATOM 1758 CD1 LEU B 97 74.040 62.122 4.253 1.00 26.39 C ATOM 1759 CD2 LEU B 97 73.070 64.364 4.741 1.00 28.14 C ATOM 1760 H LEU B 97 71.711 63.126 0.616 1.00 0.00 H ATOM 1761 N ASN B 98 74.250 66.503 0.898 1.00 28.04 N ATOM 1762 CA ASN B 98 75.042 67.248 -0.072 1.00 34.33 C ATOM 1763 C ASN B 98 76.234 67.901 0.611 1.00 28.38 C ATOM 1764 O ASN B 98 76.071 68.600 1.616 1.00 25.93 O ATOM 1765 CB ASN B 98 74.186 68.311 -0.768 1.00 35.66 C ATOM 1766 CG ASN B 98 72.996 67.715 -1.493 1.00 36.83 C ATOM 1767 OD1 ASN B 98 71.965 67.423 -0.883 1.00 35.00 O ATOM 1768 ND2 ASN B 98 73.132 67.533 -2.800 1.00 37.45 N ATOM 1769 HD22 ASN B 98 74.021 67.795 -3.272 1.00 0.00 H ATOM 1770 HD21 ASN B 98 72.349 67.129 -3.353 1.00 0.00 H ATOM 1771 H ASN B 98 74.165 66.853 1.873 1.00 0.00 H ATOM 1772 N PHE B 99 77.423 67.664 0.065 1.00 33.05 N ATOM 1773 CA PHE B 99 78.627 68.375 0.483 1.00 36.68 C ATOM 1774 C PHE B 99 79.677 68.318 -0.622 1.00 52.03 C ATOM 1775 O PHE B 99 80.771 68.867 -0.491 1.00 44.75 O ATOM 1776 CB PHE B 99 79.191 67.797 1.783 1.00 33.69 C ATOM 1777 CG PHE B 99 79.720 66.401 1.656 1.00 34.31 C ATOM 1778 CD1 PHE B 99 78.890 65.314 1.864 1.00 38.20 C ATOM 1779 CD2 PHE B 99 81.053 66.174 1.353 1.00 39.64 C ATOM 1780 CE1 PHE B 99 79.374 64.026 1.759 1.00 41.43 C ATOM 1781 CE2 PHE B 99 81.543 64.891 1.245 1.00 39.88 C ATOM 1782 CZ PHE B 99 80.703 63.813 1.449 1.00 48.03 C ATOM 1783 OXT PHE B 99 79.451 67.718 -1.673 1.00 47.82 O ATOM 1784 H PHE B 99 77.498 66.948 -0.685 1.00 0.00 H TER 1785 PHE B 99 HETATM 1786 O HOH 1 55.596 63.586 19.690 1.00 39.30 O HETATM 1787 O HOH 2 59.573 64.743 21.160 1.00 45.65 O HETATM 1788 O HOH 3 56.228 63.148 -1.219 1.00 22.05 O HETATM 1789 O HOH 4 69.330 71.493 11.405 1.00 27.04 O HETATM 1790 O HOH 5 59.629 47.945 6.748 1.00 44.64 O HETATM 1791 O HOH 6 71.427 74.559 11.494 1.00 27.64 O HETATM 1792 O HOH 7 61.040 66.980 -2.459 1.00 35.37 O HETATM 1793 O HOH 8 67.402 66.572 -2.722 1.00 29.59 O HETATM 1794 O HOH 9 50.283 41.524 13.060 1.00 40.72 O HETATM 1795 O HOH 10 60.113 53.435 1.578 1.00 35.86 O HETATM 1796 O HOH 11 44.301 61.561 15.888 1.00 39.28 O HETATM 1797 O HOH 12 46.805 49.241 17.021 1.00 39.58 O HETATM 1798 O HOH 13 71.503 52.892 9.447 1.00 23.35 O HETATM 1799 O HOH 14 67.066 60.169 -1.275 1.00 20.01 O HETATM 1800 O HOH 15 57.990 65.023 -2.128 1.00 35.45 O HETATM 1801 O HOH 16 63.306 53.480 26.119 1.00 29.23 O HETATM 1802 O HOH 17 64.733 60.803 -2.693 1.00 29.26 O HETATM 1803 O HOH 18 43.641 64.135 15.054 1.00 28.47 O HETATM 1804 O HOH 19 48.705 58.869 9.255 1.00 33.45 O HETATM 1805 O HOH 20 60.822 45.973 10.044 1.00 47.12 O HETATM 1806 O HOH 21 57.800 39.848 15.322 1.00 35.31 O HETATM 1807 O HOH 22 66.930 71.934 16.243 1.00 30.57 O HETATM 1808 O HOH 23 71.162 54.770 7.344 1.00 20.26 O HETATM 1809 O HOH 24 59.562 72.647 13.076 1.00 41.95 O HETATM 1810 O HOH 25 46.229 67.372 15.738 1.00 38.36 O HETATM 1811 O HOH 26 82.790 68.457 -2.256 1.00 47.54 O HETATM 1812 O HOH 27 52.339 64.112 19.966 1.00 34.21 O HETATM 1813 O HOH 28 69.413 76.495 5.767 1.00 31.99 O HETATM 1814 O HOH 29 61.214 49.675 5.428 1.00 39.96 O HETATM 1815 O HOH 30 62.162 48.289 25.100 1.00 31.06 O HETATM 1816 O HOH 31 55.170 60.129 18.550 1.00 23.47 O HETATM 1817 O HOH 32 69.523 75.555 7.938 1.00 34.52 O HETATM 1818 O HOH 33 50.786 47.155 9.980 1.00 40.20 O HETATM 1819 O HOH 34 55.005 49.793 5.066 1.00 31.03 O HETATM 1820 O HOH 35 58.679 51.747 4.463 1.00 23.71 O HETATM 1821 O HOH 36 53.305 45.269 10.730 1.00 36.48 O HETATM 1822 O HOH 37 50.897 65.813 18.876 1.00 38.86 O HETATM 1823 O HOH 38 58.858 61.907 24.742 1.00 43.41 O HETATM 1824 O HOH 39 67.686 49.007 26.441 1.00 33.96 O HETATM 1825 O HOH 40 61.190 64.406 18.610 1.00 28.64 O HETATM 1826 O HOH 41 54.987 59.873 23.740 1.00 35.65 O HETATM 1827 O HOH 42 64.451 65.497 -4.542 1.00 24.21 O HETATM 1828 O HOH 43 68.888 51.865 11.474 1.00 21.92 O HETATM 1829 O HOH 44 65.422 52.237 4.458 1.00 27.69 O HETATM 1830 O HOH 45 47.553 51.644 6.851 1.00 43.12 O HETATM 1831 O HOH 46 77.078 72.430 15.751 1.00 40.81 O HETATM 1832 O HOH 47 59.343 72.063 0.106 1.00 47.10 O HETATM 1833 O HOH 48 68.561 47.233 14.807 1.00 28.15 O HETATM 1834 O HOH 49 58.499 57.415 23.566 1.00 22.78 O HETATM 1835 O HOH 50 65.671 66.624 19.889 1.00 37.21 O HETATM 1836 O HOH 51 48.409 67.799 16.929 1.00 33.33 O HETATM 1837 O HOH 52 48.717 58.581 22.023 1.00 40.71 O HETATM 1838 O HOH 53 70.027 71.297 18.425 1.00 24.57 O HETATM 1839 O HOH 54 48.251 43.417 15.481 1.00 34.58 O HETATM 1840 O HOH 55 61.309 62.894 25.057 1.00 46.27 O HETATM 1841 O HOH 56 70.269 45.354 24.244 1.00 36.43 O HETATM 1842 O HOH 57 59.280 43.547 8.340 1.00 46.04 O HETATM 1843 O HOH 58 54.755 72.576 2.374 1.00 48.33 O HETATM 1844 O HOH 59 68.057 50.197 2.975 1.00 40.55 O HETATM 1845 O HOH 60 67.787 63.728 23.410 1.00 46.28 O HETATM 1846 O HOH 61 59.575 72.759 10.635 1.00 42.68 O HETATM 1847 O HOH 62 46.379 52.158 10.232 1.00 42.13 O HETATM 1848 O HOH 63 53.428 68.842 7.405 1.00 47.99 O HETATM 1849 O HOH 64 61.334 47.160 8.214 1.00 45.88 O HETATM 1850 O HOH 65 60.533 59.654 -4.557 1.00 42.38 O HETATM 1851 O HOH 66 58.980 49.940 3.693 1.00 45.91 O HETATM 1852 O HOH 67 53.794 47.557 23.168 1.00 57.49 O HETATM 1853 O HOH 68 70.395 49.813 12.051 1.00 34.47 O HETATM 1854 O HOH 69 59.822 54.359 -1.603 1.00 46.24 O HETATM 1855 O HOH 70 62.222 74.989 -1.555 1.00 48.19 O HETATM 1856 O HOH 71 41.822 48.730 15.660 1.00 48.00 O HETATM 1857 O HOH 72 76.337 77.477 6.479 1.00 35.92 O HETATM 1858 O HOH 73 50.951 44.036 9.953 1.00 47.20 O HETATM 1859 O HOH 74 54.567 47.050 3.905 1.00 45.14 O HETATM 1860 O HOH 75 56.021 47.662 22.294 1.00 39.50 O HETATM 1861 O HOH 76 71.525 46.592 15.420 1.00 40.39 O HETATM 1862 O HOH 77 49.510 45.983 8.126 1.00 40.24 O HETATM 1863 O HOH 78 74.425 77.883 4.292 1.00 40.22 O HETATM 1864 O HOH 79 75.998 71.150 -1.676 1.00 48.98 O HETATM 1865 O HOH 80 54.101 73.533 4.160 1.00 50.07 O HETATM 1866 O HOH 81 66.250 68.999 20.355 1.00 39.16 O HETATM 1867 O HOH 82 67.277 71.295 18.738 1.00 47.11 O HETATM 1868 O HOH 83 68.828 72.110 19.710 1.00 40.30 O HETATM 1869 O HOH 84 63.195 66.127 19.970 1.00 25.48 O HETATM 1870 O HOH 85 92.162 64.417 23.597 1.00 45.56 O HETATM 1871 O HOH 86 86.298 52.162 14.686 1.00 33.25 O HETATM 1872 O HOH 87 93.672 61.393 12.874 1.00 28.65 O HETATM 1873 O HOH 88 86.637 70.321 5.301 1.00 31.82 O HETATM 1874 O HOH 89 82.873 70.677 15.174 1.00 26.52 O HETATM 1875 O HOH 90 73.266 56.611 0.584 1.00 28.68 O HETATM 1876 O HOH 91 75.374 51.705 1.640 1.00 28.50 O HETATM 1877 O HOH 92 66.024 53.854 25.732 1.00 30.52 O HETATM 1878 O HOH 93 81.286 48.084 18.678 1.00 32.03 O HETATM 1879 O HOH 94 87.663 68.857 19.314 1.00 28.53 O HETATM 1880 O HOH 95 75.638 72.072 7.893 1.00 24.02 O HETATM 1881 O HOH 96 70.789 55.593 -2.488 1.00 22.41 O HETATM 1882 O HOH 97 64.970 48.771 10.935 1.00 39.94 O HETATM 1883 O HOH 98 78.813 67.781 19.429 1.00 40.08 O HETATM 1884 O HOH 99 89.393 71.610 15.661 1.00 23.17 O HETATM 1885 O HOH 100 76.092 50.325 22.725 1.00 24.47 O HETATM 1886 O HOH 101 71.427 55.210 19.190 1.00 17.27 O HETATM 1887 O HOH 102 70.088 56.944 -6.230 1.00 26.23 O HETATM 1888 O HOH 103 73.603 51.257 29.735 1.00 31.64 O HETATM 1889 O HOH 104 87.222 52.456 0.546 1.00 41.66 O HETATM 1890 O HOH 105 70.414 64.283 17.583 1.00 17.29 O HETATM 1891 O HOH 106 76.919 63.538 -6.661 1.00 42.13 O HETATM 1892 O HOH 107 70.991 65.625 15.181 1.00 16.08 O HETATM 1893 O HOH 108 73.638 50.933 9.942 1.00 36.19 O HETATM 1894 O HOH 109 75.733 71.578 1.244 1.00 34.33 O HETATM 1895 O HOH 110 83.773 48.810 19.850 1.00 31.94 O HETATM 1896 O HOH 111 74.741 65.913 22.642 1.00 37.92 O HETATM 1897 O HOH 112 93.618 49.740 17.030 1.00 46.94 O HETATM 1898 O HOH 113 77.128 67.689 21.445 1.00 42.78 O HETATM 1899 O HOH 114 69.038 58.528 25.349 1.00 36.85 O HETATM 1900 O HOH 115 75.773 48.798 6.307 1.00 47.13 O HETATM 1901 O HOH 116 76.986 46.047 14.746 1.00 30.06 O HETATM 1902 O HOH 117 92.328 60.280 2.756 1.00 45.43 O HETATM 1903 O HOH 118 75.850 70.666 17.253 1.00 34.32 O HETATM 1904 O HOH 119 80.840 50.756 11.193 1.00 26.31 O HETATM 1905 O HOH 120 73.616 64.114 22.649 1.00 39.28 O HETATM 1906 O HOH 121 81.889 63.815 18.815 1.00 20.10 O HETATM 1907 O HOH 122 74.088 61.883 25.232 1.00 36.67 O HETATM 1908 O HOH 123 70.769 60.862 24.512 1.00 36.73 O HETATM 1909 O HOH 124 77.056 68.819 17.625 1.00 39.36 O HETATM 1910 O HOH 125 79.320 72.393 14.610 1.00 32.41 O HETATM 1911 O HOH 126 85.569 49.509 11.936 1.00 47.29 O HETATM 1912 O HOH 127 79.473 51.352 28.746 1.00 25.29 O HETATM 1913 O HOH 128 76.293 59.685 -4.906 1.00 36.78 O HETATM 1914 O HOH 129 83.797 68.754 17.427 1.00 23.83 O HETATM 1915 O HOH 130 94.336 51.772 6.398 1.00 38.24 O HETATM 1916 O HOH 131 79.184 72.044 0.724 1.00 48.26 O HETATM 1917 O HOH 132 80.972 66.479 19.887 1.00 41.42 O HETATM 1918 O HOH 133 72.105 70.919 18.858 1.00 36.17 O HETATM 1919 O HOH 134 73.765 58.577 -4.155 1.00 35.71 O HETATM 1920 O HOH 135 82.621 53.601 0.516 1.00 49.75 O HETATM 1921 O HOH 136 93.634 61.721 9.088 1.00 42.66 O HETATM 1922 O HOH 137 85.565 49.925 9.246 1.00 34.76 O HETATM 1923 O HOH 138 88.676 59.957 2.876 1.00 42.71 O HETATM 1924 O HOH 139 82.565 49.121 10.981 1.00 49.16 O HETATM 1925 O HOH 140 97.379 60.609 8.132 1.00 47.83 O HETATM 1926 O HOH 141 89.329 69.584 2.573 1.00 38.84 O HETATM 1927 O HOH 142 96.277 63.555 4.024 1.00 51.97 O HETATM 1928 O HOH 143 83.540 56.856 -0.008 1.00 44.38 O HETATM 1929 O HOH 144 65.261 52.579 1.804 1.00 43.94 O HETATM 1930 O HOH 145 73.324 69.899 20.327 1.00 43.27 O HETATM 1931 O HOH 146 85.147 68.554 27.570 1.00 49.76 O HETATM 1932 O HOH 147 80.293 64.424 25.643 1.00 50.22 O HETATM 1933 O HOH 148 75.667 55.800 -0.408 1.00 38.64 O HETATM 1934 O HOH 149 67.533 68.398 -4.525 1.00 31.35 O HETATM 1935 O HOH 150 80.809 65.813 22.992 1.00 42.22 O HETATM 1936 O HOH 151 77.422 74.110 7.293 1.00 50.30 O HETATM 1937 O HOH 152 81.794 49.529 8.898 1.00 50.28 O HETATM 1938 O HOH 153 75.473 69.432 19.928 1.00 34.46 O HETATM 1939 O HOH 154 95.556 64.785 2.340 1.00 52.20 O HETATM 1940 O HOH 155 69.375 50.716 -3.644 1.00 44.07 O HETATM 1941 O HOH 156 70.428 53.587 -4.470 1.00 36.31 O HETATM 1942 O HOH 157 81.303 72.751 16.025 1.00 39.05 O HETATM 1943 O HOH 158 68.201 74.732 -2.519 1.00 53.44 O HETATM 1944 O HOH 159 90.588 63.213 -2.327 1.00 48.57 O HETATM 1945 O HOH 160 84.457 65.971 -4.110 1.00 51.60 O HETATM 1946 C1 F A 53 65.172 51.271 12.840 1.00 0.08 C HETATM 1947 O1 F A 53 65.725 51.278 11.557 1.00 -0.38 O HETATM 1948 H3 F A 53 65.184 50.754 10.977 1.00 0.21 H HETATM 1949 C2 F A 53 66.105 52.134 13.693 1.00 -0.02 C HETATM 1950 C3 F A 53 67.276 51.463 14.427 1.00 -0.06 C HETATM 1951 C4 F A 53 68.223 52.322 15.271 1.00 -0.04 C HETATM 1952 C5 F A 53 67.975 53.829 15.347 1.00 0.10 C HETATM 1953 C6 F A 53 66.822 54.512 14.608 1.00 -0.04 C HETATM 1954 C7 F A 53 65.873 53.650 13.767 1.00 -0.06 C HETATM 1955 H7 F A 53 65.048 54.105 13.231 1.00 0.06 H HETATM 1956 H6 F A 53 66.679 55.584 14.678 1.00 0.06 H HETATM 1957 S8 F A 53 69.118 54.840 16.343 1.00 0.07 S HETATM 1958 O9 F A 53 68.407 55.915 17.024 1.00 -0.15 O HETATM 1959 O10 F A 53 69.732 54.009 17.388 1.00 -0.15 O HETATM 1960 N11 F A 53 70.309 55.460 15.233 1.00 -0.23 N HETATM 1961 C12 F A 53 70.962 54.405 14.391 1.00 0.03 C HETATM 1962 C13 F A 53 72.531 54.497 14.521 1.00 -0.02 C HETATM 1963 C14 F A 53 73.195 53.445 13.597 1.00 -0.05 C HETATM 1964 C20 F A 53 72.855 51.996 14.012 1.00 -0.07 C HETATM 1965 H23 F A 53 73.350 51.292 13.326 1.00 0.02 H HETATM 1966 H24 F A 53 71.766 51.848 13.967 1.00 0.02 H HETATM 1967 H25 F A 53 73.207 51.816 15.038 1.00 0.02 H HETATM 1968 H11 F A 53 74.286 53.577 13.639 1.00 0.03 H HETATM 1969 H12 F A 53 72.845 53.608 12.567 1.00 0.03 H HETATM 1970 C15 F A 53 72.921 54.306 16.007 1.00 -0.05 C HETATM 1971 C18 F A 53 74.434 54.402 16.182 1.00 -0.07 C HETATM 1972 H18 F A 53 74.690 54.264 17.243 1.00 0.02 H HETATM 1973 H19 F A 53 74.780 55.391 15.847 1.00 0.02 H HETATM 1974 H20 F A 53 74.923 53.620 15.582 1.00 0.02 H HETATM 1975 H13 F A 53 72.580 53.317 16.346 1.00 0.03 H HETATM 1976 H14 F A 53 72.437 55.087 16.611 1.00 0.03 H HETATM 1977 H10 F A 53 72.860 55.496 14.200 1.00 0.03 H HETATM 1978 H8 F A 53 70.676 54.551 13.339 1.00 0.05 H HETATM 1979 H9 F A 53 70.627 53.413 14.728 1.00 0.05 H HETATM 1980 C16 F A 53 69.948 56.748 14.582 1.00 0.06 C HETATM 1981 C17 F A 53 70.890 57.845 15.121 1.00 0.10 C HETATM 1982 O18 F A 53 70.790 58.980 14.344 1.00 -0.39 O HETATM 1983 H21 F A 53 71.032 58.772 13.449 1.00 0.21 H HETATM 1984 C19 F A 53 70.533 58.183 16.583 1.00 0.08 C HETATM 1985 N20 F A 53 71.533 59.099 17.066 1.00 -0.26 N HETATM 1986 C21 F A 53 72.518 58.707 18.084 1.00 0.32 C HETATM 1987 O22 F A 53 72.509 57.645 18.625 1.00 -0.38 O HETATM 1988 O23 F A 53 73.482 59.707 18.379 1.00 -0.26 O HETATM 1989 C24 F A 53 74.252 59.556 19.579 1.00 0.12 C HETATM 1990 C25 F A 53 75.702 60.091 19.200 1.00 0.08 C HETATM 1991 O26 F A 53 75.410 61.656 19.124 1.00 -0.35 O HETATM 1992 C27 F A 53 74.529 61.903 20.121 1.00 0.16 C HETATM 1993 O8 F A 53 73.578 62.703 19.715 1.00 -0.35 O HETATM 1994 C29 F A 53 72.198 61.853 19.732 1.00 0.05 C HETATM 1995 C30 F A 53 72.510 60.620 20.627 1.00 -0.02 C HETATM 1996 C31 F A 53 73.850 60.417 20.552 1.00 0.04 C HETATM 1997 H35 F A 53 74.222 60.072 21.528 1.00 0.04 H HETATM 1998 H33 F A 53 71.971 59.736 20.257 1.00 0.03 H HETATM 1999 H34 F A 53 72.214 60.821 21.667 1.00 0.03 H HETATM 2000 H31 F A 53 71.924 61.536 18.715 1.00 0.06 H HETATM 2001 H32 F A 53 71.380 62.449 20.163 1.00 0.06 H HETATM 2002 H30 F A 53 75.048 62.352 20.981 1.00 0.09 H HETATM 2003 H28 F A 53 76.044 59.693 18.234 1.00 0.06 H HETATM 2004 H29 F A 53 76.442 59.851 19.978 1.00 0.06 H HETATM 2005 H27 F A 53 74.251 58.514 19.930 1.00 0.07 H HETATM 2006 H26 F A 53 71.558 60.029 16.698 1.00 0.19 H HETATM 2007 C32 F A 53 69.196 58.914 16.686 1.00 0.01 C HETATM 2008 C38 F A 53 68.992 59.343 18.175 1.00 -0.04 C HETATM 2009 C33 F A 53 68.639 58.288 19.218 1.00 -0.06 C HETATM 2010 C34 F A 53 68.434 58.693 20.685 1.00 -0.07 C HETATM 2011 C35 F A 53 68.590 60.160 21.101 1.00 -0.07 C HETATM 2012 C36 F A 53 68.948 61.220 20.056 1.00 -0.07 C HETATM 2013 C37 F A 53 69.150 60.818 18.596 1.00 -0.06 C HETATM 2014 H42 F A 53 69.404 61.569 17.857 1.00 0.06 H HETATM 2015 H41 F A 53 69.058 62.257 20.352 1.00 0.06 H HETATM 2016 H40 F A 53 68.447 60.447 22.136 1.00 0.06 H HETATM 2017 H39 F A 53 68.179 57.943 21.425 1.00 0.06 H HETATM 2018 H38 F A 53 68.533 57.250 18.923 1.00 0.06 H HETATM 2019 H36 F A 53 68.380 58.245 16.375 1.00 0.04 H HETATM 2020 H37 F A 53 69.207 59.804 16.040 1.00 0.04 H HETATM 2021 H22 F A 53 70.511 57.264 17.188 1.00 0.06 H HETATM 2022 H17 F A 53 71.925 57.475 15.082 1.00 0.06 H HETATM 2023 H15 F A 53 68.905 57.005 14.819 1.00 0.05 H HETATM 2024 H16 F A 53 70.066 56.660 13.492 1.00 0.05 H HETATM 2025 H5 F A 53 69.052 51.871 15.804 1.00 0.06 H HETATM 2026 H4 F A 53 67.431 50.393 14.348 1.00 0.06 H HETATM 2027 H1 F A 53 65.130 50.245 13.235 1.00 0.07 H HETATM 2028 H2 F A 53 64.159 51.700 12.824 1.00 0.07 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 885 886 891 892 893 CONECT 892 885 CONECT 893 885 CONECT 1946 1947 1949 2027 2028 CONECT 1947 1946 1948 CONECT 1948 1947 CONECT 1949 1946 1950 1954 CONECT 1950 1949 1951 2026 CONECT 1951 1950 1952 2025 CONECT 1952 1951 1953 1957 CONECT 1953 1952 1954 1956 CONECT 1954 1949 1953 1955 CONECT 1955 1954 CONECT 1956 1953 CONECT 1957 1952 1958 1959 1960 CONECT 1958 1957 CONECT 1959 1957 CONECT 1960 1957 1961 1980 CONECT 1961 1960 1962 1978 1979 CONECT 1962 1961 1963 1970 1977 CONECT 1963 1962 1964 1968 1969 CONECT 1964 1963 1965 1966 1967 CONECT 1965 1964 CONECT 1966 1964 CONECT 1967 1964 CONECT 1968 1963 CONECT 1969 1963 CONECT 1970 1962 1971 1975 1976 CONECT 1971 1970 1972 1973 1974 CONECT 1972 1971 CONECT 1973 1971 CONECT 1974 1971 CONECT 1975 1970 CONECT 1976 1970 CONECT 1977 1962 CONECT 1978 1961 CONECT 1979 1961 CONECT 1980 1960 1981 2023 2024 CONECT 1981 1980 1982 1984 2022 CONECT 1982 1981 1983 CONECT 1983 1982 CONECT 1984 1981 1985 2007 2021 CONECT 1985 1984 1986 2006 CONECT 1986 1985 1987 1988 CONECT 1987 1986 CONECT 1988 1986 1989 CONECT 1989 1988 1990 1996 2005 CONECT 1990 1989 1991 2003 2004 CONECT 1991 1990 1992 CONECT 1992 1991 1993 1996 2002 CONECT 1993 1992 1994 CONECT 1994 1993 1995 2000 2001 CONECT 1995 1994 1996 1998 1999 CONECT 1996 1989 1992 1995 1997 CONECT 1997 1996 CONECT 1998 1995 CONECT 1999 1995 CONECT 2000 1994 CONECT 2001 1994 CONECT 2002 1992 CONECT 2003 1990 CONECT 2004 1990 CONECT 2005 1989 CONECT 2006 1985 CONECT 2007 1984 2008 2019 2020 CONECT 2008 2007 2009 2013 CONECT 2009 2008 2010 2018 CONECT 2010 2009 2011 2017 CONECT 2011 2010 2012 2016 CONECT 2012 2011 2013 2015 CONECT 2013 2008 2012 2014 CONECT 2014 2013 CONECT 2015 2012 CONECT 2016 2011 CONECT 2017 2010 CONECT 2018 2009 CONECT 2019 2007 CONECT 2020 2007 CONECT 2021 1984 CONECT 2022 1981 CONECT 2023 1980 CONECT 2024 1980 CONECT 2025 1951 CONECT 2026 1950 CONECT 2027 1946 CONECT 2028 1946 MASTER 0 0 0 0 0 0 0 0 2026 2 89 16 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 6oxq
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%
6oxv
RCSB PDB
PDBbind
99aa, >6OXV_1|Chains... at 91%
6oxu
RCSB PDB
PDBbind
99aa, >6OXU_1|Chains... at 91%
6oxt
RCSB PDB
PDBbind
99aa, >6OXT_1|Chains... at 91%
6oxs
RCSB PDB
PDBbind
99aa, >6OXS_1|Chains... at 91%
6oxr
RCSB PDB
PDBbind
99aa, >6OXR_1|Chains... at 91%
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
3o9g
RCSB PDB
PDBbind
F53
Entry Information
PDB ID
6oxq
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
HIV-1 Protease NL4-3 WT
Ligand Name
F53
EC.Number
E.C.-.-.-.-
Resolution
1.89(Å)
Affinity (Kd/Ki/IC50)
Ki=0.005nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Med.Chem. Vol. 62: pp. 8062-8079
Ligand Properties
Formula
C
3
0
H
4
2
N
2
O
8
S
Molecular Weight
590.728
Exact Mass
590.266
No. of atoms
83
No. of bonds
86
Polar Surface Area
143.01
LOGP Value
3.45 (
Computed with XLOGP3
)
4.54 (
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)CO)C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2[C@H]1CCO2)O)CC
InChI String
InChI=1S/C30H42N2O8S/c1-3-21(4-2)17-32(41(36,37)24-12-10-23(19-33)11-13-24)18-27(34)26(16-22-8-6-5-7-9-22)31-30(35)40-28-20-39-29-25(28)14-15-38-29/h5-13,21,25-29,33-34H,3-4,14-20H2,1-2H3,(H,31,35)/t25-,26-,27+,28-,29+/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P12497
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝e湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com