Browse entries in the PDBbind-CN Database
HEADER 6OXT_COMPLEX COMPND 6OXT_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 NEJ A 381 89 ATOM 1 N PRO A 1 80.073 65.726 -3.212 1.00 29.59 N ATOM 2 CA PRO A 1 79.123 64.928 -3.992 1.00 25.06 C ATOM 3 C PRO A 1 77.693 65.047 -3.483 1.00 29.03 C ATOM 4 O PRO A 1 77.473 65.542 -2.377 1.00 23.94 O ATOM 5 CB PRO A 1 79.640 63.503 -3.807 1.00 34.53 C ATOM 6 CG PRO A 1 80.251 63.517 -2.452 1.00 32.46 C ATOM 7 CD PRO A 1 80.859 64.890 -2.289 1.00 29.85 C ATOM 8 HN2 PRO A 1 79.546 66.433 -2.661 1.00 0.00 H ATOM 9 HN1 PRO A 1 80.722 66.210 -3.864 1.00 0.00 H ATOM 10 N GLN A 2 76.734 64.605 -4.290 1.00 23.28 N ATOM 11 CA GLN A 2 75.352 64.459 -3.855 1.00 22.44 C ATOM 12 C GLN A 2 75.091 62.984 -3.587 1.00 22.44 C ATOM 13 O GLN A 2 75.374 62.135 -4.440 1.00 23.35 O ATOM 14 CB GLN A 2 74.373 64.999 -4.900 1.00 28.47 C ATOM 15 CG GLN A 2 72.911 64.678 -4.590 1.00 21.63 C ATOM 16 CD GLN A 2 71.936 65.534 -5.373 1.00 33.61 C ATOM 17 OE1 GLN A 2 71.451 66.551 -4.879 1.00 26.83 O ATOM 18 NE2 GLN A 2 71.638 65.122 -6.599 1.00 33.07 N ATOM 19 HE22 GLN A 2 72.072 64.256 -6.976 1.00 0.00 H ATOM 20 HE21 GLN A 2 70.970 65.666 -7.182 1.00 0.00 H ATOM 21 H GLN A 2 76.980 64.354 -5.269 1.00 0.00 H ATOM 22 N ILE A 3 74.573 62.681 -2.400 1.00 20.37 N ATOM 23 CA ILE A 3 74.407 61.309 -1.935 1.00 22.32 C ATOM 24 C ILE A 3 72.921 61.049 -1.732 1.00 20.48 C ATOM 25 O ILE A 3 72.287 61.675 -0.873 1.00 17.64 O ATOM 26 CB ILE A 3 75.186 61.051 -0.635 1.00 17.88 C ATOM 27 CG1 ILE A 3 76.667 61.399 -0.826 1.00 26.08 C ATOM 28 CG2 ILE A 3 75.004 59.595 -0.190 1.00 21.51 C ATOM 29 CD1 ILE A 3 77.547 61.139 0.393 1.00 29.92 C ATOM 30 H ILE A 3 74.273 63.457 -1.776 1.00 0.00 H ATOM 31 N THR A 4 72.370 60.124 -2.513 1.00 18.07 N ATOM 32 CA THR A 4 71.010 59.665 -2.293 1.00 17.42 C ATOM 33 C THR A 4 70.990 58.650 -1.151 1.00 15.69 C ATOM 34 O THR A 4 72.031 58.164 -0.695 1.00 21.30 O ATOM 35 CB THR A 4 70.432 59.062 -3.575 1.00 19.46 C ATOM 36 OG1 THR A 4 71.217 57.935 -3.980 1.00 19.61 O ATOM 37 CG2 THR A 4 70.427 60.097 -4.696 1.00 21.79 C ATOM 38 HG1 THR A 4 70.837 57.551 -4.809 1.00 0.00 H ATOM 39 H THR A 4 72.924 59.722 -3.296 1.00 0.00 H ATOM 40 N LEU A 5 69.785 58.325 -0.683 1.00 18.16 N ATOM 41 CA LEU A 5 69.622 57.567 0.553 1.00 17.73 C ATOM 42 C LEU A 5 68.906 56.235 0.349 1.00 20.19 C ATOM 43 O LEU A 5 68.436 55.635 1.321 1.00 17.26 O ATOM 44 CB LEU A 5 68.884 58.424 1.584 1.00 17.59 C ATOM 45 CG LEU A 5 69.667 59.681 1.979 1.00 13.45 C ATOM 46 CD1 LEU A 5 68.809 60.624 2.811 1.00 16.47 C ATOM 47 CD2 LEU A 5 70.942 59.322 2.733 1.00 18.92 C ATOM 48 H LEU A 5 68.939 58.619 -1.212 1.00 0.00 H ATOM 49 N TRP A 6 68.829 55.738 -0.886 1.00 21.96 N ATOM 50 CA TRP A 6 68.289 54.400 -1.083 1.00 22.75 C ATOM 51 C TRP A 6 69.227 53.332 -0.527 1.00 21.41 C ATOM 52 O TRP A 6 68.788 52.202 -0.284 1.00 24.23 O ATOM 53 CB TRP A 6 67.982 54.175 -2.572 1.00 20.77 C ATOM 54 CG TRP A 6 66.657 54.788 -2.989 1.00 24.10 C ATOM 55 CD1 TRP A 6 65.411 54.279 -2.756 1.00 27.07 C ATOM 56 CD2 TRP A 6 66.457 56.022 -3.695 1.00 20.51 C ATOM 57 NE1 TRP A 6 64.450 55.119 -3.271 1.00 29.13 N ATOM 58 CE2 TRP A 6 65.067 56.193 -3.854 1.00 21.69 C ATOM 59 CE3 TRP A 6 67.319 56.996 -4.208 1.00 21.32 C ATOM 60 CZ2 TRP A 6 64.520 57.299 -4.500 1.00 26.67 C ATOM 61 CZ3 TRP A 6 66.773 58.091 -4.853 1.00 28.14 C ATOM 62 CH2 TRP A 6 65.386 58.234 -4.992 1.00 32.33 C ATOM 63 HE1 TRP A 6 63.423 54.963 -3.225 1.00 0.00 H ATOM 64 H TRP A 6 69.151 56.300 -1.700 1.00 0.00 H ATOM 65 N LYS A 7 70.493 53.674 -0.289 1.00 18.35 N ATOM 66 CA LYS A 7 71.438 52.821 0.420 1.00 19.61 C ATOM 67 C LYS A 7 72.019 53.598 1.594 1.00 18.34 C ATOM 68 O LYS A 7 71.913 54.823 1.668 1.00 18.07 O ATOM 69 CB LYS A 7 72.570 52.336 -0.497 1.00 26.81 C ATOM 70 CG LYS A 7 72.150 51.295 -1.528 1.00 31.18 C ATOM 71 CD LYS A 7 73.262 51.025 -2.536 1.00 45.12 C ATOM 72 CE LYS A 7 74.409 50.217 -1.934 1.00 49.61 C ATOM 73 NZ LYS A 7 74.179 48.745 -2.021 1.00 53.05 N ATOM 74 HZ1 LYS A 7 73.309 48.500 -1.506 1.00 0.00 H ATOM 75 HZ2 LYS A 7 74.082 48.469 -3.019 1.00 0.00 H ATOM 76 HZ3 LYS A 7 74.986 48.244 -1.599 1.00 0.00 H ATOM 77 H LYS A 7 70.824 54.600 -0.628 1.00 0.00 H ATOM 78 N ARG A 8 72.644 52.875 2.515 1.00 18.48 N ATOM 79 CA ARG A 8 73.281 53.521 3.655 1.00 18.42 C ATOM 80 C ARG A 8 74.368 54.476 3.172 1.00 17.96 C ATOM 81 O ARG A 8 75.189 54.094 2.324 1.00 17.63 O ATOM 82 CB ARG A 8 73.890 52.485 4.593 1.00 23.17 C ATOM 83 CG ARG A 8 72.877 51.724 5.413 1.00 23.24 C ATOM 84 CD ARG A 8 73.544 50.615 6.206 1.00 25.37 C ATOM 85 NE ARG A 8 72.586 49.903 7.044 1.00 25.50 N ATOM 86 CZ ARG A 8 72.848 48.771 7.688 1.00 30.47 C ATOM 87 NH1 ARG A 8 74.045 48.205 7.589 1.00 28.42 N ATOM 88 NH2 ARG A 8 71.907 48.201 8.429 1.00 27.96 N ATOM 89 HE ARG A 8 71.634 50.309 7.144 1.00 0.00 H ATOM 90 HH12 ARG A 8 74.245 47.319 8.095 1.00 0.00 H ATOM 91 HH11 ARG A 8 74.783 48.648 7.005 1.00 0.00 H ATOM 92 HH22 ARG A 8 72.109 47.315 8.934 1.00 0.00 H ATOM 93 HH21 ARG A 8 70.967 48.640 8.505 1.00 0.00 H ATOM 94 H ARG A 8 72.679 51.840 2.422 1.00 0.00 H ATOM 95 N PRO A 9 74.422 55.712 3.687 1.00 17.00 N ATOM 96 CA PRO A 9 75.478 56.655 3.260 1.00 14.34 C ATOM 97 C PRO A 9 76.824 56.353 3.906 1.00 16.46 C ATOM 98 O PRO A 9 77.333 57.081 4.770 1.00 12.21 O ATOM 99 CB PRO A 9 74.900 58.006 3.692 1.00 15.83 C ATOM 100 CG PRO A 9 74.090 57.691 4.892 1.00 13.76 C ATOM 101 CD PRO A 9 73.460 56.352 4.604 1.00 16.65 C ATOM 102 N LEU A 10 77.422 55.245 3.477 1.00 15.38 N ATOM 103 CA LEU A 10 78.716 54.812 3.976 1.00 15.80 C ATOM 104 C LEU A 10 79.825 55.426 3.135 1.00 18.44 C ATOM 105 O LEU A 10 79.747 55.446 1.903 1.00 21.13 O ATOM 106 CB LEU A 10 78.824 53.286 3.944 1.00 24.64 C ATOM 107 CG LEU A 10 77.922 52.536 4.924 1.00 22.41 C ATOM 108 CD1 LEU A 10 77.820 51.065 4.549 1.00 28.08 C ATOM 109 CD2 LEU A 10 78.439 52.689 6.344 1.00 22.53 C ATOM 110 H LEU A 10 76.945 54.666 2.757 1.00 0.00 H ATOM 111 N VAL A 11 80.855 55.934 3.810 1.00 17.26 N ATOM 112 CA VAL A 11 82.003 56.541 3.149 1.00 20.40 C ATOM 113 C VAL A 11 83.275 56.031 3.806 1.00 20.67 C ATOM 114 O VAL A 11 83.265 55.523 4.929 1.00 18.23 O ATOM 115 CB VAL A 11 81.973 58.084 3.205 1.00 21.53 C ATOM 116 CG1 VAL A 11 80.727 58.616 2.521 1.00 20.42 C ATOM 117 CG2 VAL A 11 82.047 58.567 4.645 1.00 21.35 C ATOM 118 H VAL A 11 80.839 55.896 4.849 1.00 0.00 H ATOM 119 N THR A 12 84.384 56.188 3.092 1.00 21.85 N ATOM 120 CA THR A 12 85.693 55.854 3.627 1.00 22.38 C ATOM 121 C THR A 12 86.246 57.063 4.371 1.00 16.59 C ATOM 122 O THR A 12 86.170 58.192 3.877 1.00 25.55 O ATOM 123 CB THR A 12 86.642 55.421 2.503 1.00 23.41 C ATOM 124 OG1 THR A 12 86.122 54.250 1.865 1.00 22.24 O ATOM 125 CG2 THR A 12 88.028 55.100 3.044 1.00 26.61 C ATOM 126 HG1 THR A 12 85.230 54.451 1.486 1.00 0.00 H ATOM 127 H THR A 12 84.313 56.560 2.123 1.00 0.00 H ATOM 128 N ILE A 13 86.776 56.825 5.568 1.00 17.07 N ATOM 129 CA ILE A 13 87.408 57.867 6.363 1.00 15.42 C ATOM 130 C ILE A 13 88.851 57.463 6.626 1.00 23.34 C ATOM 131 O ILE A 13 89.214 56.286 6.563 1.00 19.39 O ATOM 132 CB ILE A 13 86.673 58.121 7.694 1.00 17.37 C ATOM 133 CG1 ILE A 13 86.750 56.882 8.598 1.00 19.61 C ATOM 134 CG2 ILE A 13 85.220 58.509 7.422 1.00 21.03 C ATOM 135 CD1 ILE A 13 86.248 57.103 9.995 1.00 14.75 C ATOM 136 H ILE A 13 86.737 55.858 5.950 1.00 0.00 H ATOM 137 N LYS A 14 89.675 58.461 6.936 1.00 22.18 N ATOM 138 CA LYS A 14 91.044 58.238 7.384 1.00 23.52 C ATOM 139 C LYS A 14 91.222 58.909 8.737 1.00 23.58 C ATOM 140 O LYS A 14 90.976 60.112 8.876 1.00 30.88 O ATOM 141 CB LYS A 14 92.064 58.779 6.381 1.00 26.61 C ATOM 142 CG LYS A 14 93.505 58.478 6.778 1.00 30.79 C ATOM 143 CD LYS A 14 94.514 58.988 5.757 1.00 44.76 C ATOM 144 CE LYS A 14 94.878 60.448 5.991 1.00 44.53 C ATOM 145 NZ LYS A 14 96.088 60.844 5.213 1.00 60.33 N ATOM 146 HZ1 LYS A 14 96.894 60.254 5.503 1.00 0.00 H ATOM 147 HZ2 LYS A 14 95.906 60.709 4.198 1.00 0.00 H ATOM 148 HZ3 LYS A 14 96.305 61.844 5.398 1.00 0.00 H ATOM 149 H LYS A 14 89.329 59.438 6.855 1.00 0.00 H ATOM 150 N ILE A 15 91.644 58.131 9.729 1.00 22.65 N ATOM 151 CA ILE A 15 91.879 58.627 11.078 1.00 23.92 C ATOM 152 C ILE A 15 93.071 57.873 11.651 1.00 33.35 C ATOM 153 O ILE A 15 93.160 56.648 11.515 1.00 26.29 O ATOM 154 CB ILE A 15 90.636 58.464 11.976 1.00 23.77 C ATOM 155 CG1 ILE A 15 90.896 59.068 13.358 1.00 26.47 C ATOM 156 CG2 ILE A 15 90.229 56.992 12.073 1.00 28.64 C ATOM 157 CD1 ILE A 15 89.686 59.110 14.253 1.00 28.04 C ATOM 158 H ILE A 15 91.814 57.124 9.533 1.00 0.00 H ATOM 159 N GLY A 16 93.993 58.601 12.275 1.00 32.64 N ATOM 160 CA GLY A 16 95.192 57.978 12.812 1.00 34.13 C ATOM 161 C GLY A 16 96.023 57.261 11.773 1.00 30.50 C ATOM 162 O GLY A 16 96.778 56.344 12.115 1.00 36.33 O ATOM 163 H GLY A 16 93.855 59.626 12.380 1.00 0.00 H ATOM 164 N GLY A 17 95.907 57.657 10.506 1.00 30.70 N ATOM 165 CA GLY A 17 96.661 57.047 9.433 1.00 28.92 C ATOM 166 C GLY A 17 96.054 55.793 8.845 1.00 30.96 C ATOM 167 O GLY A 17 96.674 55.183 7.966 1.00 38.51 O ATOM 168 H GLY A 17 95.251 58.432 10.281 1.00 0.00 H ATOM 169 N GLN A 18 94.866 55.390 9.290 1.00 27.33 N ATOM 170 CA GLN A 18 94.237 54.151 8.857 1.00 24.79 C ATOM 171 C GLN A 18 92.892 54.449 8.211 1.00 26.46 C ATOM 172 O GLN A 18 92.176 55.359 8.640 1.00 25.26 O ATOM 173 CB GLN A 18 94.042 53.194 10.038 1.00 30.73 C ATOM 174 H GLN A 18 94.365 55.987 9.978 1.00 0.00 H ATOM 175 N LEU A 19 92.555 53.678 7.181 1.00 20.80 N ATOM 176 CA LEU A 19 91.272 53.807 6.508 1.00 25.83 C ATOM 177 C LEU A 19 90.225 52.948 7.203 1.00 26.88 C ATOM 178 O LEU A 19 90.513 51.837 7.653 1.00 28.59 O ATOM 179 CB LEU A 19 91.373 53.389 5.041 1.00 23.31 C ATOM 180 CG LEU A 19 92.301 54.177 4.117 1.00 26.49 C ATOM 181 CD1 LEU A 19 92.080 53.708 2.689 1.00 29.60 C ATOM 182 CD2 LEU A 19 92.070 55.676 4.241 1.00 29.86 C ATOM 183 H LEU A 19 93.230 52.961 6.846 1.00 0.00 H ATOM 184 N LYS A 20 89.007 53.478 7.287 1.00 24.45 N ATOM 185 CA LYS A 20 87.863 52.752 7.815 1.00 23.58 C ATOM 186 C LYS A 20 86.628 53.168 7.034 1.00 19.58 C ATOM 187 O LYS A 20 86.642 54.149 6.289 1.00 20.47 O ATOM 188 CB LYS A 20 87.649 53.027 9.308 1.00 23.76 C ATOM 189 CG LYS A 20 88.786 52.601 10.203 1.00 25.69 C ATOM 190 CD LYS A 20 88.554 53.092 11.621 1.00 29.07 C ATOM 191 CE LYS A 20 89.357 52.299 12.628 1.00 32.06 C ATOM 192 NZ LYS A 20 88.722 50.994 12.927 1.00 36.74 N ATOM 193 HZ1 LYS A 20 87.771 51.154 13.317 1.00 0.00 H ATOM 194 HZ2 LYS A 20 88.650 50.436 12.052 1.00 0.00 H ATOM 195 HZ3 LYS A 20 89.301 50.479 13.621 1.00 0.00 H ATOM 196 H LYS A 20 88.867 54.455 6.960 1.00 0.00 H ATOM 197 N GLU A 21 85.553 52.408 7.206 1.00 22.15 N ATOM 198 CA GLU A 21 84.251 52.765 6.660 1.00 18.59 C ATOM 199 C GLU A 21 83.384 53.331 7.779 1.00 17.52 C ATOM 200 O GLU A 21 83.397 52.819 8.901 1.00 16.30 O ATOM 201 CB GLU A 21 83.576 51.547 6.023 1.00 25.18 C ATOM 202 CG GLU A 21 82.220 51.830 5.399 1.00 26.77 C ATOM 203 CD GLU A 21 81.685 50.649 4.612 1.00 29.27 C ATOM 204 OE1 GLU A 21 82.014 50.532 3.412 1.00 31.69 O ATOM 205 OE2 GLU A 21 80.943 49.832 5.197 1.00 37.08 O ATOM 206 H GLU A 21 85.644 51.526 7.750 1.00 0.00 H ATOM 207 N ALA A 22 82.642 54.396 7.476 1.00 20.67 N ATOM 208 CA ALA A 22 81.802 55.053 8.471 1.00 17.50 C ATOM 209 C ALA A 22 80.505 55.525 7.828 1.00 11.79 C ATOM 210 O ALA A 22 80.420 55.714 6.614 1.00 15.16 O ATOM 211 CB ALA A 22 82.523 56.237 9.126 1.00 16.86 C ATOM 212 H ALA A 22 82.663 54.768 6.505 1.00 0.00 H ATOM 213 N LEU A 23 79.494 55.724 8.674 1.00 13.04 N ATOM 214 CA LEU A 23 78.147 56.082 8.244 1.00 12.24 C ATOM 215 C LEU A 23 77.912 57.567 8.500 1.00 12.36 C ATOM 216 O LEU A 23 78.085 58.038 9.629 1.00 15.99 O ATOM 217 CB LEU A 23 77.119 55.237 9.000 1.00 15.42 C ATOM 218 CG LEU A 23 75.636 55.415 8.675 1.00 16.03 C ATOM 219 CD1 LEU A 23 75.313 54.835 7.313 1.00 17.24 C ATOM 220 CD2 LEU A 23 74.777 54.758 9.751 1.00 18.96 C ATOM 221 H LEU A 23 79.675 55.619 9.693 1.00 0.00 H ATOM 222 N LEU A 24 77.531 58.305 7.456 1.00 14.41 N ATOM 223 CA LEU A 24 77.150 59.704 7.626 1.00 13.93 C ATOM 224 C LEU A 24 75.787 59.761 8.298 1.00 14.42 C ATOM 225 O LEU A 24 74.786 59.312 7.727 1.00 15.24 O ATOM 226 CB LEU A 24 77.117 60.420 6.281 1.00 15.27 C ATOM 227 CG LEU A 24 78.394 60.350 5.441 1.00 16.61 C ATOM 228 CD1 LEU A 24 78.192 61.104 4.136 1.00 16.19 C ATOM 229 CD2 LEU A 24 79.590 60.891 6.198 1.00 17.42 C ATOM 230 H LEU A 24 77.505 57.878 6.508 1.00 0.00 H ATOM 231 N ASP A 25 75.745 60.319 9.506 1.00 11.67 N ATOM 232 CA ASP A 25 74.626 60.126 10.429 1.00 12.96 C ATOM 233 C ASP A 25 74.119 61.478 10.929 1.00 13.24 C ATOM 234 O ASP A 25 74.584 61.983 11.952 1.00 12.00 O ATOM 235 CB ASP A 25 75.088 59.228 11.572 1.00 11.21 C ATOM 236 CG ASP A 25 73.960 58.809 12.484 1.00 14.70 C ATOM 237 OD1 ASP A 25 72.849 59.360 12.354 1.00 13.12 O ATOM 238 OD2 ASP A 25 74.190 57.915 13.324 1.00 12.37 O ATOM 239 H ASP A 25 76.541 60.917 9.806 1.00 0.00 H ATOM 240 N THR A 26 73.144 62.057 10.220 1.00 11.30 N ATOM 241 CA THR A 26 72.643 63.374 10.603 1.00 10.72 C ATOM 242 C THR A 26 71.880 63.345 11.921 1.00 11.85 C ATOM 243 O THR A 26 71.703 64.399 12.541 1.00 12.84 O ATOM 244 CB THR A 26 71.755 63.950 9.499 1.00 12.00 C ATOM 245 OG1 THR A 26 70.648 63.072 9.248 1.00 12.40 O ATOM 246 CG2 THR A 26 72.553 64.146 8.220 1.00 13.01 C ATOM 247 HG1 THR A 26 70.114 62.971 10.076 1.00 0.00 H ATOM 248 H THR A 26 72.742 61.568 9.395 1.00 0.00 H ATOM 249 N GLY A 27 71.425 62.176 12.363 1.00 12.09 N ATOM 250 CA GLY A 27 70.800 62.049 13.662 1.00 13.14 C ATOM 251 C GLY A 27 71.756 61.903 14.825 1.00 14.89 C ATOM 252 O GLY A 27 71.312 61.726 15.963 1.00 16.10 O ATOM 253 H GLY A 27 71.521 61.333 11.761 1.00 0.00 H ATOM 254 N ALA A 28 73.062 61.975 14.579 1.00 12.33 N ATOM 255 CA ALA A 28 74.070 61.888 15.627 1.00 11.52 C ATOM 256 C ALA A 28 74.664 63.272 15.869 1.00 12.28 C ATOM 257 O ALA A 28 75.183 63.895 14.936 1.00 12.49 O ATOM 258 CB ALA A 28 75.164 60.892 15.239 1.00 14.81 C ATOM 259 H ALA A 28 73.377 62.099 13.595 1.00 0.00 H ATOM 260 N ASP A 29 74.582 63.753 17.118 1.00 16.19 N ATOM 261 CA ASP A 29 75.282 64.985 17.480 1.00 14.59 C ATOM 262 C ASP A 29 76.786 64.811 17.338 1.00 15.11 C ATOM 263 O ASP A 29 77.498 65.733 16.918 1.00 14.18 O ATOM 264 CB ASP A 29 74.994 65.394 18.929 1.00 12.57 C ATOM 265 CG ASP A 29 73.529 65.643 19.217 1.00 20.96 C ATOM 266 OD1 ASP A 29 72.729 65.812 18.275 1.00 17.00 O ATOM 267 OD2 ASP A 29 73.194 65.688 20.421 1.00 16.56 O ATOM 268 H ASP A 29 74.019 63.248 17.832 1.00 0.00 H ATOM 269 N ASP A 30 77.286 63.645 17.729 1.00 14.78 N ATOM 270 CA ASP A 30 78.703 63.400 17.911 1.00 11.02 C ATOM 271 C ASP A 30 79.151 62.259 17.013 1.00 14.98 C ATOM 272 O ASP A 30 78.341 61.468 16.524 1.00 14.84 O ATOM 273 CB ASP A 30 79.009 63.064 19.378 1.00 16.20 C ATOM 274 CG ASP A 30 78.500 64.121 20.333 1.00 18.30 C ATOM 275 OD1 ASP A 30 78.812 65.310 20.125 1.00 21.34 O ATOM 276 OD2 ASP A 30 77.775 63.768 21.284 1.00 25.23 O ATOM 277 H ASP A 30 76.625 62.864 17.915 1.00 0.00 H ATOM 278 N THR A 31 80.459 62.187 16.803 1.00 15.23 N ATOM 279 CA THR A 31 81.080 61.121 16.033 1.00 11.03 C ATOM 280 C THR A 31 81.568 60.040 16.988 1.00 16.43 C ATOM 281 O THR A 31 82.311 60.327 17.933 1.00 15.66 O ATOM 282 CB THR A 31 82.235 61.677 15.196 1.00 12.53 C ATOM 283 OG1 THR A 31 81.718 62.615 14.241 1.00 15.36 O ATOM 284 CG2 THR A 31 82.979 60.571 14.466 1.00 13.66 C ATOM 285 HG1 THR A 31 81.267 63.356 14.719 1.00 0.00 H ATOM 286 H THR A 31 81.068 62.927 17.207 1.00 0.00 H ATOM 287 N VAL A 32 81.144 58.803 16.741 1.00 12.42 N ATOM 288 CA VAL A 32 81.477 57.670 17.595 1.00 12.92 C ATOM 289 C VAL A 32 82.020 56.556 16.713 1.00 14.76 C ATOM 290 O VAL A 32 81.369 56.154 15.742 1.00 15.70 O ATOM 291 CB VAL A 32 80.260 57.179 18.403 1.00 13.95 C ATOM 292 CG1 VAL A 32 80.714 56.231 19.511 1.00 14.82 C ATOM 293 CG2 VAL A 32 79.479 58.356 18.978 1.00 20.05 C ATOM 294 H VAL A 32 80.550 58.638 15.903 1.00 0.00 H ATOM 295 N LEU A 33 83.209 56.061 17.052 1.00 13.85 N ATOM 296 CA LEU A 33 83.865 54.997 16.311 1.00 12.70 C ATOM 297 C LEU A 33 84.020 53.766 17.190 1.00 15.89 C ATOM 298 O LEU A 33 84.123 53.863 18.417 1.00 13.86 O ATOM 299 CB LEU A 33 85.246 55.426 15.810 1.00 16.94 C ATOM 300 CG LEU A 33 85.310 56.659 14.914 1.00 17.13 C ATOM 301 CD1 LEU A 33 86.744 56.886 14.473 1.00 19.90 C ATOM 302 CD2 LEU A 33 84.395 56.517 13.709 1.00 15.98 C ATOM 303 H LEU A 33 83.690 56.454 17.886 1.00 0.00 H ATOM 304 N GLU A 34 84.033 52.604 16.545 1.00 18.25 N ATOM 305 CA GLU A 34 84.252 51.356 17.253 1.00 16.04 C ATOM 306 C GLU A 34 85.657 51.332 17.845 1.00 18.08 C ATOM 307 O GLU A 34 86.530 52.120 17.475 1.00 17.40 O ATOM 308 CB GLU A 34 84.046 50.171 16.310 1.00 18.50 C ATOM 309 CG GLU A 34 82.621 50.053 15.776 1.00 15.77 C ATOM 310 CD GLU A 34 82.405 48.796 14.958 1.00 22.79 C ATOM 311 OE1 GLU A 34 82.909 48.740 13.821 1.00 21.71 O ATOM 312 OE2 GLU A 34 81.741 47.859 15.456 1.00 27.91 O ATOM 313 H GLU A 34 83.884 52.589 15.516 1.00 0.00 H ATOM 314 N GLU A 35 85.865 50.413 18.782 1.00 20.16 N ATOM 315 CA GLU A 35 87.116 50.363 19.527 1.00 20.30 C ATOM 316 C GLU A 35 88.311 50.330 18.584 1.00 21.61 C ATOM 317 O GLU A 35 88.342 49.559 17.622 1.00 21.11 O ATOM 318 CB GLU A 35 87.133 49.136 20.439 1.00 28.74 C ATOM 319 CG GLU A 35 88.257 49.154 21.455 1.00 35.28 C ATOM 320 CD GLU A 35 88.119 50.293 22.441 1.00 42.50 C ATOM 321 OE1 GLU A 35 86.983 50.559 22.892 1.00 43.24 O ATOM 322 OE2 GLU A 35 89.144 50.930 22.755 1.00 48.07 O ATOM 323 H GLU A 35 85.121 49.716 18.987 1.00 0.00 H ATOM 324 N MET A 36 89.294 51.177 18.869 1.00 24.67 N ATOM 325 CA MET A 36 90.497 51.276 18.053 1.00 24.65 C ATOM 326 C MET A 36 91.580 51.944 18.883 1.00 25.54 C ATOM 327 O MET A 36 91.310 52.543 19.927 1.00 25.86 O ATOM 328 CB MET A 36 90.241 52.072 16.769 1.00 26.72 C ATOM 329 CG MET A 36 89.892 53.533 17.017 1.00 22.97 C ATOM 330 SD MET A 36 89.761 54.514 15.514 1.00 26.60 S ATOM 331 CE MET A 36 91.447 54.455 14.912 1.00 32.37 C ATOM 332 H MET A 36 89.202 51.791 19.704 1.00 0.00 H ATOM 333 N ASN A 37 92.814 51.846 18.396 1.00 31.45 N ATOM 334 CA ASN A 37 93.944 52.525 19.013 1.00 32.80 C ATOM 335 C ASN A 37 94.123 53.896 18.372 1.00 34.37 C ATOM 336 O ASN A 37 94.208 54.007 17.145 1.00 28.99 O ATOM 337 CB ASN A 37 95.224 51.700 18.861 1.00 29.09 C ATOM 338 CG ASN A 37 95.160 50.380 19.604 1.00 37.11 C ATOM 339 OD1 ASN A 37 95.313 49.313 19.010 1.00 46.90 O ATOM 340 ND2 ASN A 37 94.936 50.447 20.911 1.00 42.32 N ATOM 341 HD22 ASN A 37 94.813 51.372 21.371 1.00 0.00 H ATOM 342 HD21 ASN A 37 94.884 49.575 21.475 1.00 0.00 H ATOM 343 H ASN A 37 92.976 51.266 17.548 1.00 0.00 H ATOM 344 N LEU A 38 94.163 54.935 19.204 1.00 29.12 N ATOM 345 CA LEU A 38 94.440 56.286 18.747 1.00 35.15 C ATOM 346 C LEU A 38 95.523 56.904 19.621 1.00 36.04 C ATOM 347 O LEU A 38 95.504 56.730 20.845 1.00 34.67 O ATOM 348 CB LEU A 38 93.177 57.163 18.794 1.00 38.19 C ATOM 349 CG LEU A 38 92.205 57.091 17.614 1.00 36.43 C ATOM 350 CD1 LEU A 38 90.977 57.953 17.894 1.00 33.25 C ATOM 351 CD2 LEU A 38 92.870 57.526 16.314 1.00 35.50 C ATOM 352 H LEU A 38 93.990 54.774 20.217 1.00 0.00 H ATOM 353 N PRO A 39 96.483 57.616 19.033 1.00 36.17 N ATOM 354 CA PRO A 39 97.511 58.271 19.851 1.00 41.21 C ATOM 355 C PRO A 39 96.964 59.489 20.583 1.00 42.03 C ATOM 356 O PRO A 39 95.922 60.048 20.237 1.00 40.24 O ATOM 357 CB PRO A 39 98.584 58.672 18.832 1.00 41.62 C ATOM 358 CG PRO A 39 97.883 58.719 17.522 1.00 41.08 C ATOM 359 CD PRO A 39 96.752 57.745 17.590 1.00 33.92 C ATOM 360 N GLY A 40 97.700 59.899 21.616 1.00 50.52 N ATOM 361 CA GLY A 40 97.331 61.061 22.398 1.00 52.73 C ATOM 362 C GLY A 40 96.488 60.714 23.608 1.00 49.31 C ATOM 363 O GLY A 40 96.096 59.568 23.843 1.00 42.83 O ATOM 364 H GLY A 40 98.561 59.371 21.867 1.00 0.00 H ATOM 365 N ARG A 41 96.202 61.746 24.395 1.00 50.82 N ATOM 366 CA ARG A 41 95.419 61.573 25.605 1.00 46.31 C ATOM 367 C ARG A 41 93.930 61.544 25.279 1.00 39.12 C ATOM 368 O ARG A 41 93.486 61.991 24.217 1.00 34.04 O ATOM 369 CB ARG A 41 95.714 62.693 26.603 1.00 43.11 C ATOM 370 H ARG A 41 96.545 62.694 24.140 1.00 0.00 H ATOM 371 N TRP A 42 93.156 61.000 26.214 1.00 39.91 N ATOM 372 CA TRP A 42 91.711 60.926 26.083 1.00 33.48 C ATOM 373 C TRP A 42 91.082 61.120 27.452 1.00 34.67 C ATOM 374 O TRP A 42 91.750 61.030 28.485 1.00 40.29 O ATOM 375 CB TRP A 42 91.264 59.588 25.480 1.00 32.33 C ATOM 376 CG TRP A 42 91.837 58.400 26.182 1.00 29.91 C ATOM 377 CD1 TRP A 42 93.021 57.782 25.912 1.00 33.69 C ATOM 378 CD2 TRP A 42 91.251 57.686 27.275 1.00 34.65 C ATOM 379 NE1 TRP A 42 93.211 56.726 26.768 1.00 35.22 N ATOM 380 CE2 TRP A 42 92.137 56.645 27.615 1.00 35.48 C ATOM 381 CE3 TRP A 42 90.063 57.823 27.999 1.00 33.79 C ATOM 382 CZ2 TRP A 42 91.873 55.748 28.646 1.00 28.99 C ATOM 383 CZ3 TRP A 42 89.803 56.931 29.021 1.00 28.59 C ATOM 384 CH2 TRP A 42 90.704 55.907 29.335 1.00 33.24 C ATOM 385 HE1 TRP A 42 94.035 56.091 26.773 1.00 0.00 H ATOM 386 H TRP A 42 93.602 60.613 27.070 1.00 0.00 H ATOM 387 N LYS A 43 89.781 61.392 27.445 1.00 28.33 N ATOM 388 CA LYS A 43 89.027 61.587 28.667 1.00 29.21 C ATOM 389 C LYS A 43 87.835 60.641 28.672 1.00 23.60 C ATOM 390 O LYS A 43 87.203 60.443 27.628 1.00 22.55 O ATOM 391 CB LYS A 43 88.542 63.039 28.789 1.00 33.42 C ATOM 392 H LYS A 43 89.288 61.467 26.532 1.00 0.00 H ATOM 393 N PRO A 44 87.508 60.036 29.813 1.00 28.46 N ATOM 394 CA PRO A 44 86.324 59.170 29.861 1.00 28.12 C ATOM 395 C PRO A 44 85.048 59.996 29.820 1.00 32.51 C ATOM 396 O PRO A 44 84.928 61.019 30.500 1.00 25.97 O ATOM 397 CB PRO A 44 86.480 58.431 31.196 1.00 31.37 C ATOM 398 CG PRO A 44 87.270 59.362 32.042 1.00 37.88 C ATOM 399 CD PRO A 44 88.193 60.106 31.117 1.00 32.00 C ATOM 400 N LYS A 45 84.093 59.549 29.006 1.00 19.29 N ATOM 401 CA LYS A 45 82.843 60.271 28.821 1.00 20.40 C ATOM 402 C LYS A 45 81.698 59.279 28.676 1.00 21.32 C ATOM 403 O LYS A 45 81.905 58.090 28.419 1.00 28.90 O ATOM 404 CB LYS A 45 82.903 61.191 27.593 1.00 23.18 C ATOM 405 H LYS A 45 84.245 58.660 28.489 1.00 0.00 H ATOM 406 N MET A 46 80.483 59.787 28.858 1.00 19.59 N ATOM 407 CA MET A 46 79.259 59.017 28.690 1.00 25.97 C ATOM 408 C MET A 46 78.474 59.586 27.516 1.00 25.71 C ATOM 409 O MET A 46 78.433 60.804 27.323 1.00 23.98 O ATOM 410 CB MET A 46 78.399 59.072 29.957 1.00 28.43 C ATOM 411 CG MET A 46 79.053 58.483 31.198 1.00 34.61 C ATOM 412 SD MET A 46 79.347 56.709 31.095 1.00 33.66 S ATOM 413 CE MET A 46 77.677 56.093 30.920 1.00 28.52 C ATOM 414 H MET A 46 80.403 60.786 29.135 1.00 0.00 H ATOM 415 N ILE A 47 77.854 58.709 26.727 1.00 22.43 N ATOM 416 CA ILE A 47 76.997 59.137 25.626 1.00 20.18 C ATOM 417 C ILE A 47 75.778 58.231 25.561 1.00 24.07 C ATOM 418 O ILE A 47 75.868 57.025 25.821 1.00 20.62 O ATOM 419 CB ILE A 47 77.747 59.139 24.278 1.00 21.90 C ATOM 420 CG1 ILE A 47 78.275 57.740 23.944 1.00 20.47 C ATOM 421 CG2 ILE A 47 78.876 60.139 24.319 1.00 34.89 C ATOM 422 CD1 ILE A 47 78.843 57.616 22.554 1.00 27.85 C ATOM 423 H ILE A 47 77.984 57.692 26.901 1.00 0.00 H ATOM 424 N GLY A 48 74.643 58.808 25.197 1.00 16.83 N ATOM 425 CA GLY A 48 73.380 58.088 25.162 1.00 23.08 C ATOM 426 C GLY A 48 72.840 57.970 23.751 1.00 23.45 C ATOM 427 O GLY A 48 72.844 58.942 22.991 1.00 23.98 O ATOM 428 H GLY A 48 74.655 59.812 24.926 1.00 0.00 H ATOM 429 N GLY A 49 72.379 56.773 23.407 1.00 14.90 N ATOM 430 CA GLY A 49 71.719 56.542 22.140 1.00 18.07 C ATOM 431 C GLY A 49 70.319 55.993 22.318 1.00 21.52 C ATOM 432 O GLY A 49 69.673 56.240 23.342 1.00 17.80 O ATOM 433 H GLY A 49 72.496 55.978 24.068 1.00 0.00 H ATOM 434 N ILE A 50 69.843 55.230 21.332 1.00 14.73 N ATOM 435 CA ILE A 50 68.457 54.783 21.365 1.00 13.74 C ATOM 436 C ILE A 50 68.238 53.802 22.506 1.00 19.80 C ATOM 437 O ILE A 50 67.135 53.724 23.059 1.00 18.10 O ATOM 438 CB ILE A 50 68.054 54.177 20.006 1.00 17.15 C ATOM 439 CG1 ILE A 50 66.526 54.147 19.882 1.00 21.90 C ATOM 440 CG2 ILE A 50 68.654 52.787 19.823 1.00 21.96 C ATOM 441 CD1 ILE A 50 66.015 53.701 18.521 1.00 26.27 C ATOM 442 H ILE A 50 70.460 54.955 20.542 1.00 0.00 H ATOM 443 N GLY A 51 69.272 53.058 22.892 1.00 17.12 N ATOM 444 CA GLY A 51 69.099 51.963 23.823 1.00 22.05 C ATOM 445 C GLY A 51 69.656 52.197 25.211 1.00 23.61 C ATOM 446 O GLY A 51 69.610 51.296 26.054 1.00 20.99 O ATOM 447 H GLY A 51 70.220 53.267 22.519 1.00 0.00 H ATOM 448 N GLY A 52 70.180 53.392 25.470 1.00 18.14 N ATOM 449 CA GLY A 52 70.762 53.700 26.755 1.00 24.53 C ATOM 450 C GLY A 52 72.092 54.396 26.586 1.00 22.25 C ATOM 451 O GLY A 52 72.387 54.971 25.533 1.00 21.94 O ATOM 452 H GLY A 52 70.170 54.122 24.729 1.00 0.00 H ATOM 453 N PHE A 53 72.912 54.322 27.632 1.00 21.73 N ATOM 454 CA PHE A 53 74.165 55.059 27.708 1.00 22.40 C ATOM 455 C PHE A 53 75.351 54.106 27.746 1.00 21.89 C ATOM 456 O PHE A 53 75.282 53.034 28.357 1.00 19.66 O ATOM 457 CB PHE A 53 74.181 55.962 28.941 1.00 24.55 C ATOM 458 CG PHE A 53 73.288 57.159 28.820 1.00 21.70 C ATOM 459 CD1 PHE A 53 71.912 57.020 28.871 1.00 27.41 C ATOM 460 CD2 PHE A 53 73.825 58.422 28.656 1.00 22.34 C ATOM 461 CE1 PHE A 53 71.089 58.120 28.755 1.00 27.06 C ATOM 462 CE2 PHE A 53 73.006 59.525 28.545 1.00 28.72 C ATOM 463 CZ PHE A 53 71.637 59.374 28.596 1.00 30.73 C ATOM 464 H PHE A 53 72.646 53.711 28.430 1.00 0.00 H ATOM 465 N ILE A 54 76.446 54.514 27.098 1.00 17.38 N ATOM 466 CA ILE A 54 77.683 53.744 27.059 1.00 23.53 C ATOM 467 C ILE A 54 78.843 54.637 27.479 1.00 21.69 C ATOM 468 O ILE A 54 78.784 55.864 27.380 1.00 18.43 O ATOM 469 CB ILE A 54 77.969 53.149 25.660 1.00 18.52 C ATOM 470 CG1 ILE A 54 78.084 54.266 24.613 1.00 20.23 C ATOM 471 CG2 ILE A 54 76.888 52.141 25.277 1.00 22.97 C ATOM 472 CD1 ILE A 54 78.590 53.794 23.257 1.00 25.12 C ATOM 473 H ILE A 54 76.414 55.425 26.597 1.00 0.00 H ATOM 474 N LYS A 55 79.916 53.996 27.930 1.00 21.10 N ATOM 475 CA LYS A 55 81.153 54.689 28.263 1.00 22.67 C ATOM 476 C LYS A 55 82.042 54.739 27.029 1.00 21.46 C ATOM 477 O LYS A 55 82.234 53.721 26.355 1.00 22.44 O ATOM 478 CB LYS A 55 81.880 53.985 29.411 1.00 18.15 C ATOM 479 H LYS A 55 79.871 52.964 28.049 1.00 0.00 H ATOM 480 N VAL A 56 82.583 55.922 26.735 1.00 18.36 N ATOM 481 CA VAL A 56 83.453 56.110 25.584 1.00 19.65 C ATOM 482 C VAL A 56 84.718 56.837 26.016 1.00 19.36 C ATOM 483 O VAL A 56 84.792 57.427 27.096 1.00 25.10 O ATOM 484 CB VAL A 56 82.756 56.887 24.445 1.00 23.49 C ATOM 485 CG1 VAL A 56 81.666 56.033 23.817 1.00 21.05 C ATOM 486 CG2 VAL A 56 82.182 58.204 24.960 1.00 22.11 C ATOM 487 H VAL A 56 82.376 56.736 27.348 1.00 0.00 H ATOM 488 N ARG A 57 85.727 56.766 25.155 1.00 18.42 N ATOM 489 CA ARG A 57 86.949 57.543 25.301 1.00 22.82 C ATOM 490 C ARG A 57 86.846 58.740 24.367 1.00 23.31 C ATOM 491 O ARG A 57 86.588 58.576 23.171 1.00 21.01 O ATOM 492 CB ARG A 57 88.183 56.703 24.972 1.00 25.91 C ATOM 493 CG ARG A 57 88.210 55.345 25.659 1.00 29.40 C ATOM 494 CD ARG A 57 89.608 54.744 25.650 1.00 29.34 C ATOM 495 NE ARG A 57 90.297 54.946 24.376 1.00 39.15 N ATOM 496 CZ ARG A 57 90.395 54.041 23.401 1.00 52.34 C ATOM 497 NH1 ARG A 57 89.854 52.838 23.524 1.00 50.49 N ATOM 498 NH2 ARG A 57 91.047 54.342 22.287 1.00 44.30 N ATOM 499 HE ARG A 57 90.747 55.870 24.217 1.00 0.00 H ATOM 500 HH12 ARG A 57 89.942 52.147 22.752 1.00 0.00 H ATOM 501 HH11 ARG A 57 89.341 52.585 24.393 1.00 0.00 H ATOM 502 HH22 ARG A 57 91.126 53.639 21.524 1.00 0.00 H ATOM 503 HH21 ARG A 57 91.480 55.281 22.175 1.00 0.00 H ATOM 504 H ARG A 57 85.640 56.126 24.340 1.00 0.00 H ATOM 505 N GLN A 58 87.019 59.936 24.914 1.00 23.41 N ATOM 506 CA GLN A 58 86.884 61.163 24.144 1.00 19.80 C ATOM 507 C GLN A 58 88.262 61.630 23.701 1.00 22.84 C ATOM 508 O GLN A 58 89.143 61.862 24.537 1.00 23.91 O ATOM 509 CB GLN A 58 86.185 62.248 24.960 1.00 19.06 C ATOM 510 CG GLN A 58 86.117 63.590 24.251 1.00 19.14 C ATOM 511 CD GLN A 58 85.161 64.554 24.914 1.00 24.60 C ATOM 512 OE1 GLN A 58 84.258 64.147 25.641 1.00 31.00 O ATOM 513 NE2 GLN A 58 85.354 65.844 24.665 1.00 32.77 N ATOM 514 HE22 GLN A 58 86.132 66.143 24.043 1.00 0.00 H ATOM 515 HE21 GLN A 58 84.727 66.556 25.092 1.00 0.00 H ATOM 516 H GLN A 58 87.258 59.999 25.924 1.00 0.00 H ATOM 517 N TYR A 59 88.440 61.760 22.390 1.00 18.33 N ATOM 518 CA TYR A 59 89.652 62.305 21.792 1.00 25.38 C ATOM 519 C TYR A 59 89.308 63.634 21.138 1.00 23.11 C ATOM 520 O TYR A 59 88.463 63.686 20.238 1.00 22.10 O ATOM 521 CB TYR A 59 90.237 61.348 20.755 1.00 19.52 C ATOM 522 CG TYR A 59 90.736 60.045 21.321 1.00 23.80 C ATOM 523 CD1 TYR A 59 89.879 58.969 21.497 1.00 23.21 C ATOM 524 CD2 TYR A 59 92.069 59.888 21.674 1.00 28.44 C ATOM 525 CE1 TYR A 59 90.333 57.774 22.013 1.00 27.95 C ATOM 526 CE2 TYR A 59 92.535 58.697 22.189 1.00 31.44 C ATOM 527 CZ TYR A 59 91.663 57.643 22.358 1.00 36.10 C ATOM 528 OH TYR A 59 92.117 56.450 22.871 1.00 32.02 O ATOM 529 HH TYR A 59 91.365 55.808 22.925 1.00 0.00 H ATOM 530 H TYR A 59 87.673 61.456 21.757 1.00 0.00 H ATOM 531 N ASP A 60 89.966 64.697 21.578 1.00 23.64 N ATOM 532 CA ASP A 60 89.698 66.032 21.070 1.00 23.94 C ATOM 533 C ASP A 60 90.724 66.421 20.016 1.00 24.80 C ATOM 534 O ASP A 60 91.868 65.956 20.028 1.00 21.42 O ATOM 535 CB ASP A 60 89.707 67.052 22.208 1.00 25.21 C ATOM 536 CG ASP A 60 88.572 66.838 23.186 1.00 32.99 C ATOM 537 OD1 ASP A 60 87.431 66.618 22.729 1.00 27.93 O ATOM 538 OD2 ASP A 60 88.822 66.876 24.408 1.00 31.02 O ATOM 539 H ASP A 60 90.696 64.572 22.308 1.00 0.00 H ATOM 540 N GLN A 61 90.289 67.276 19.091 1.00 21.00 N ATOM 541 CA GLN A 61 91.169 67.881 18.094 1.00 23.91 C ATOM 542 C GLN A 61 91.908 66.811 17.286 1.00 29.65 C ATOM 543 O GLN A 61 93.120 66.883 17.064 1.00 22.80 O ATOM 544 CB GLN A 61 92.142 68.850 18.771 1.00 27.45 C ATOM 545 CG GLN A 61 92.423 70.112 17.972 1.00 25.60 C ATOM 546 CD GLN A 61 93.123 71.176 18.797 1.00 30.89 C ATOM 547 OE1 GLN A 61 92.763 71.420 19.950 1.00 30.36 O ATOM 548 NE2 GLN A 61 94.130 71.814 18.211 1.00 24.93 N ATOM 549 HE22 GLN A 61 94.400 71.575 17.235 1.00 0.00 H ATOM 550 HE21 GLN A 61 94.649 72.552 18.728 1.00 0.00 H ATOM 551 H GLN A 61 89.279 67.523 19.078 1.00 0.00 H ATOM 552 N ILE A 62 91.152 65.814 16.827 1.00 17.87 N ATOM 553 CA ILE A 62 91.687 64.686 16.071 1.00 18.29 C ATOM 554 C ILE A 62 91.521 64.969 14.587 1.00 21.64 C ATOM 555 O ILE A 62 90.434 65.349 14.136 1.00 22.75 O ATOM 556 CB ILE A 62 90.978 63.373 16.447 1.00 20.71 C ATOM 557 CG1 ILE A 62 91.221 63.031 17.919 1.00 27.73 C ATOM 558 CG2 ILE A 62 91.433 62.227 15.534 1.00 23.03 C ATOM 559 CD1 ILE A 62 92.672 62.733 18.267 1.00 37.12 C ATOM 560 H ILE A 62 90.130 65.841 17.017 1.00 0.00 H ATOM 561 N LEU A 63 92.591 64.762 13.825 1.00 19.87 N ATOM 562 CA LEU A 63 92.506 64.863 12.375 1.00 22.61 C ATOM 563 C LEU A 63 91.754 63.665 11.816 1.00 25.63 C ATOM 564 O LEU A 63 92.055 62.516 12.151 1.00 23.43 O ATOM 565 CB LEU A 63 93.900 64.937 11.755 1.00 24.95 C ATOM 566 CG LEU A 63 94.609 66.294 11.778 1.00 24.91 C ATOM 567 CD1 LEU A 63 94.882 66.752 13.202 1.00 27.47 C ATOM 568 CD2 LEU A 63 95.904 66.229 10.975 1.00 30.98 C ATOM 569 H LEU A 63 93.500 64.525 14.271 1.00 0.00 H ATOM 570 N ILE A 64 90.776 63.935 10.959 1.00 17.66 N ATOM 571 CA ILE A 64 89.993 62.882 10.320 1.00 22.01 C ATOM 572 C ILE A 64 89.523 63.395 8.969 1.00 22.37 C ATOM 573 O ILE A 64 88.922 64.469 8.877 1.00 28.48 O ATOM 574 CB ILE A 64 88.799 62.443 11.192 1.00 22.43 C ATOM 575 CG1 ILE A 64 87.875 61.519 10.398 1.00 25.70 C ATOM 576 CG2 ILE A 64 88.033 63.660 11.706 1.00 27.42 C ATOM 577 CD1 ILE A 64 86.814 60.847 11.241 1.00 28.57 C ATOM 578 H ILE A 64 90.561 64.928 10.736 1.00 0.00 H ATOM 579 N GLU A 65 89.804 62.628 7.922 1.00 25.68 N ATOM 580 CA GLU A 65 89.395 62.970 6.568 1.00 19.00 C ATOM 581 C GLU A 65 88.222 62.087 6.168 1.00 24.57 C ATOM 582 O GLU A 65 88.278 60.863 6.325 1.00 27.97 O ATOM 583 CB GLU A 65 90.555 62.803 5.586 1.00 23.53 C ATOM 584 CG GLU A 65 90.193 63.120 4.141 1.00 26.71 C ATOM 585 CD GLU A 65 91.411 63.212 3.241 1.00 33.84 C ATOM 586 OE1 GLU A 65 92.501 62.792 3.680 1.00 32.57 O ATOM 587 OE2 GLU A 65 91.277 63.704 2.101 1.00 27.55 O ATOM 588 H GLU A 65 90.337 61.748 8.076 1.00 0.00 H ATOM 589 N ILE A 66 87.164 62.710 5.661 1.00 20.41 N ATOM 590 CA ILE A 66 85.904 62.034 5.381 1.00 19.70 C ATOM 591 C ILE A 66 85.610 62.218 3.902 1.00 20.12 C ATOM 592 O ILE A 66 85.339 63.338 3.451 1.00 22.26 O ATOM 593 CB ILE A 66 84.758 62.582 6.242 1.00 18.83 C ATOM 594 CG1 ILE A 66 85.054 62.352 7.726 1.00 23.05 C ATOM 595 CG2 ILE A 66 83.433 61.930 5.857 1.00 18.52 C ATOM 596 CD1 ILE A 66 84.464 63.400 8.635 1.00 22.38 C ATOM 597 H ILE A 66 87.238 63.727 5.455 1.00 0.00 H ATOM 598 N CYS A 67 85.663 61.125 3.146 1.00 20.54 N ATOM 599 CA CYS A 67 85.326 61.154 1.728 1.00 28.24 C ATOM 600 C CYS A 67 86.099 62.260 1.015 1.00 26.50 C ATOM 601 O CYS A 67 85.570 62.961 0.150 1.00 29.33 O ATOM 602 CB CYS A 67 83.820 61.328 1.534 1.00 31.36 C ATOM 603 SG CYS A 67 83.219 60.858 -0.098 1.00 38.70 S ATOM 604 H CYS A 67 85.953 60.225 3.578 1.00 0.00 H ATOM 605 N GLY A 68 87.359 62.432 1.404 1.00 23.73 N ATOM 606 CA GLY A 68 88.232 63.403 0.783 1.00 25.67 C ATOM 607 C GLY A 68 88.202 64.789 1.392 1.00 28.64 C ATOM 608 O GLY A 68 88.925 65.671 0.910 1.00 29.74 O ATOM 609 H GLY A 68 87.729 61.848 2.181 1.00 0.00 H ATOM 610 N HIS A 69 87.398 65.014 2.428 1.00 27.38 N ATOM 611 CA HIS A 69 87.279 66.316 3.075 1.00 23.31 C ATOM 612 C HIS A 69 87.860 66.241 4.480 1.00 21.79 C ATOM 613 O HIS A 69 87.519 65.339 5.251 1.00 19.67 O ATOM 614 CB HIS A 69 85.818 66.770 3.132 1.00 23.33 C ATOM 615 CG HIS A 69 85.264 67.194 1.807 1.00 29.04 C ATOM 616 ND1 HIS A 69 85.001 66.303 0.789 1.00 27.74 N ATOM 617 CD2 HIS A 69 84.926 68.417 1.334 1.00 24.47 C ATOM 618 CE1 HIS A 69 84.525 66.960 -0.255 1.00 23.24 C ATOM 619 NE2 HIS A 69 84.468 68.243 0.051 1.00 27.84 N ATOM 620 H HIS A 69 86.828 64.225 2.794 1.00 0.00 H ATOM 621 N LYS A 70 88.719 67.198 4.815 1.00 18.19 N ATOM 622 CA LYS A 70 89.428 67.185 6.084 1.00 19.56 C ATOM 623 C LYS A 70 88.572 67.785 7.192 1.00 21.72 C ATOM 624 O LYS A 70 87.852 68.765 6.983 1.00 21.05 O ATOM 625 CB LYS A 70 90.743 67.958 5.975 1.00 24.28 C ATOM 626 H LYS A 70 88.889 67.979 4.150 1.00 0.00 H ATOM 627 N ALA A 71 88.662 67.185 8.373 1.00 20.03 N ATOM 628 CA ALA A 71 88.059 67.725 9.578 1.00 22.09 C ATOM 629 C ALA A 71 89.041 67.546 10.724 1.00 22.73 C ATOM 630 O ALA A 71 89.924 66.687 10.674 1.00 21.17 O ATOM 631 CB ALA A 71 86.724 67.040 9.905 1.00 21.22 C ATOM 632 H ALA A 71 89.187 66.290 8.438 1.00 0.00 H ATOM 633 N ILE A 72 88.896 68.387 11.743 1.00 17.39 N ATOM 634 CA ILE A 72 89.648 68.259 12.986 1.00 17.34 C ATOM 635 C ILE A 72 88.657 68.491 14.118 1.00 18.57 C ATOM 636 O ILE A 72 88.146 69.606 14.277 1.00 17.69 O ATOM 637 CB ILE A 72 90.816 69.252 13.081 1.00 19.23 C ATOM 638 CG1 ILE A 72 91.767 69.073 11.893 1.00 19.46 C ATOM 639 CG2 ILE A 72 91.555 69.066 14.402 1.00 21.33 C ATOM 640 CD1 ILE A 72 92.849 70.148 11.793 1.00 25.56 C ATOM 641 H ILE A 72 88.217 69.170 11.650 1.00 0.00 H ATOM 642 N GLY A 73 88.390 67.459 14.906 1.00 19.05 N ATOM 643 CA GLY A 73 87.362 67.588 15.915 1.00 17.65 C ATOM 644 C GLY A 73 87.372 66.436 16.891 1.00 17.42 C ATOM 645 O GLY A 73 88.325 65.657 16.964 1.00 19.64 O ATOM 646 H GLY A 73 88.914 66.567 14.800 1.00 0.00 H ATOM 647 N THR A 74 86.287 66.352 17.655 1.00 17.55 N ATOM 648 CA THR A 74 86.176 65.366 18.716 1.00 17.21 C ATOM 649 C THR A 74 85.718 64.036 18.136 1.00 20.78 C ATOM 650 O THR A 74 84.777 63.987 17.338 1.00 17.06 O ATOM 651 CB THR A 74 85.197 65.845 19.790 1.00 22.45 C ATOM 652 OG1 THR A 74 85.685 67.058 20.376 1.00 24.34 O ATOM 653 CG2 THR A 74 85.028 64.800 20.885 1.00 23.17 C ATOM 654 HG1 THR A 74 86.570 66.892 20.787 1.00 0.00 H ATOM 655 H THR A 74 85.498 67.009 17.489 1.00 0.00 H ATOM 656 N VAL A 75 86.394 62.962 18.538 1.00 17.09 N ATOM 657 CA VAL A 75 86.056 61.607 18.123 1.00 19.39 C ATOM 658 C VAL A 75 85.888 60.776 19.385 1.00 19.20 C ATOM 659 O VAL A 75 86.794 60.725 20.227 1.00 17.74 O ATOM 660 CB VAL A 75 87.128 61.000 17.200 1.00 20.46 C ATOM 661 CG1 VAL A 75 86.771 59.573 16.817 1.00 22.62 C ATOM 662 CG2 VAL A 75 87.288 61.852 15.947 1.00 21.75 C ATOM 663 H VAL A 75 87.202 63.097 19.179 1.00 0.00 H ATOM 664 N LEU A 76 84.724 60.156 19.531 1.00 16.68 N ATOM 665 CA LEU A 76 84.436 59.277 20.650 1.00 16.25 C ATOM 666 C LEU A 76 84.650 57.833 20.216 1.00 15.81 C ATOM 667 O LEU A 76 84.261 57.443 19.112 1.00 18.75 O ATOM 668 CB LEU A 76 83.002 59.484 21.140 1.00 18.58 C ATOM 669 CG LEU A 76 82.614 60.949 21.360 1.00 17.59 C ATOM 670 CD1 LEU A 76 81.190 61.038 21.845 1.00 17.26 C ATOM 671 CD2 LEU A 76 83.543 61.619 22.351 1.00 20.62 C ATOM 672 H LEU A 76 83.987 60.306 18.813 1.00 0.00 H ATOM 673 N VAL A 77 85.289 57.049 21.081 1.00 16.88 N ATOM 674 CA VAL A 77 85.667 55.674 20.774 1.00 18.02 C ATOM 675 C VAL A 77 85.062 54.778 21.844 1.00 18.80 C ATOM 676 O VAL A 77 85.293 54.989 23.041 1.00 18.36 O ATOM 677 CB VAL A 77 87.194 55.502 20.702 1.00 23.21 C ATOM 678 CG1 VAL A 77 87.568 54.041 20.476 1.00 21.56 C ATOM 679 CG2 VAL A 77 87.774 56.360 19.590 1.00 21.61 C ATOM 680 H VAL A 77 85.529 57.434 22.017 1.00 0.00 H ATOM 681 N GLY A 78 84.292 53.781 21.414 1.00 20.89 N ATOM 682 CA GLY A 78 83.623 52.889 22.330 1.00 21.50 C ATOM 683 C GLY A 78 82.686 51.927 21.628 1.00 18.04 C ATOM 684 O GLY A 78 82.652 51.843 20.395 1.00 17.06 O ATOM 685 H GLY A 78 84.169 53.641 20.391 1.00 0.00 H ATOM 686 N PRO A 79 81.888 51.188 22.410 1.00 19.51 N ATOM 687 CA PRO A 79 81.084 50.080 21.860 1.00 18.47 C ATOM 688 C PRO A 79 79.827 50.549 21.134 1.00 17.83 C ATOM 689 O PRO A 79 78.703 50.161 21.461 1.00 15.87 O ATOM 690 CB PRO A 79 80.769 49.256 23.115 1.00 22.27 C ATOM 691 CG PRO A 79 80.703 50.269 24.207 1.00 23.29 C ATOM 692 CD PRO A 79 81.763 51.284 23.877 1.00 20.48 C ATOM 693 N THR A 80 80.020 51.394 20.121 1.00 17.77 N ATOM 694 CA THR A 80 78.943 51.734 19.207 1.00 14.03 C ATOM 695 C THR A 80 78.710 50.579 18.233 1.00 18.11 C ATOM 696 O THR A 80 79.650 49.865 17.872 1.00 17.64 O ATOM 697 CB THR A 80 79.269 53.012 18.429 1.00 18.20 C ATOM 698 OG1 THR A 80 78.227 53.284 17.482 1.00 18.46 O ATOM 699 CG2 THR A 80 80.599 52.892 17.685 1.00 17.08 C ATOM 700 HG1 THR A 80 78.151 52.526 16.850 1.00 0.00 H ATOM 701 H THR A 80 80.960 51.818 19.982 1.00 0.00 H ATOM 702 N PRO A 81 77.463 50.359 17.810 1.00 14.53 N ATOM 703 CA PRO A 81 77.206 49.267 16.856 1.00 18.71 C ATOM 704 C PRO A 81 77.920 49.438 15.527 1.00 19.26 C ATOM 705 O PRO A 81 78.267 48.433 14.892 1.00 18.27 O ATOM 706 CB PRO A 81 75.680 49.305 16.682 1.00 21.67 C ATOM 707 CG PRO A 81 75.279 50.675 17.095 1.00 22.27 C ATOM 708 CD PRO A 81 76.225 51.062 18.183 1.00 16.42 C ATOM 709 N VAL A 82 78.136 50.677 15.075 1.00 15.73 N ATOM 710 CA VAL A 82 78.832 50.947 13.821 1.00 17.71 C ATOM 711 C VAL A 82 79.514 52.305 13.932 1.00 16.71 C ATOM 712 O VAL A 82 79.138 53.148 14.751 1.00 15.99 O ATOM 713 CB VAL A 82 77.892 50.934 12.585 1.00 22.30 C ATOM 714 CG1 VAL A 82 77.122 49.617 12.478 1.00 25.50 C ATOM 715 CG2 VAL A 82 76.928 52.105 12.617 1.00 20.24 C ATOM 716 H VAL A 82 77.794 51.481 15.639 1.00 0.00 H ATOM 717 N ASN A 83 80.525 52.517 13.090 1.00 15.31 N ATOM 718 CA ASN A 83 81.191 53.814 13.010 1.00 15.72 C ATOM 719 C ASN A 83 80.222 54.847 12.449 1.00 15.06 C ATOM 720 O ASN A 83 79.715 54.682 11.334 1.00 15.42 O ATOM 721 CB ASN A 83 82.425 53.738 12.113 1.00 15.41 C ATOM 722 CG ASN A 83 83.470 52.756 12.609 1.00 18.83 C ATOM 723 OD1 ASN A 83 83.657 52.575 13.810 1.00 19.86 O ATOM 724 ND2 ASN A 83 84.176 52.131 11.672 1.00 20.60 N ATOM 725 HD22 ASN A 83 83.984 52.315 10.667 1.00 0.00 H ATOM 726 HD21 ASN A 83 84.921 51.458 11.944 1.00 0.00 H ATOM 727 H ASN A 83 80.847 51.741 12.476 1.00 0.00 H ATOM 728 N ILE A 84 79.977 55.920 13.196 1.00 13.69 N ATOM 729 CA ILE A 84 79.053 56.960 12.761 1.00 12.66 C ATOM 730 C ILE A 84 79.769 58.300 12.756 1.00 14.47 C ATOM 731 O ILE A 84 80.485 58.634 13.706 1.00 16.05 O ATOM 732 CB ILE A 84 77.793 57.025 13.645 1.00 14.16 C ATOM 733 CG1 ILE A 84 78.164 57.281 15.112 1.00 14.82 C ATOM 734 CG2 ILE A 84 76.993 55.741 13.479 1.00 11.98 C ATOM 735 CD1 ILE A 84 76.980 57.354 16.053 1.00 14.83 C ATOM 736 H ILE A 84 80.457 56.019 14.113 1.00 0.00 H ATOM 737 N ILE A 85 79.565 59.063 11.686 1.00 15.02 N ATOM 738 CA ILE A 85 80.037 60.437 11.588 1.00 12.24 C ATOM 739 C ILE A 85 78.872 61.345 11.946 1.00 15.20 C ATOM 740 O ILE A 85 77.849 61.356 11.247 1.00 12.78 O ATOM 741 CB ILE A 85 80.565 60.754 10.182 1.00 13.12 C ATOM 742 CG1 ILE A 85 81.602 59.719 9.747 1.00 14.35 C ATOM 743 CG2 ILE A 85 81.156 62.155 10.142 1.00 14.45 C ATOM 744 CD1 ILE A 85 82.789 59.589 10.684 1.00 15.90 C ATOM 745 H ILE A 85 79.044 58.659 10.882 1.00 0.00 H ATOM 746 N GLY A 86 79.032 62.107 13.028 1.00 13.13 N ATOM 747 CA GLY A 86 77.987 62.971 13.529 1.00 12.14 C ATOM 748 C GLY A 86 78.144 64.417 13.077 1.00 13.27 C ATOM 749 O GLY A 86 79.069 64.790 12.359 1.00 11.71 O ATOM 750 H GLY A 86 79.942 62.079 13.530 1.00 0.00 H ATOM 751 N ARG A 87 77.207 65.244 13.548 1.00 13.10 N ATOM 752 CA ARG A 87 77.107 66.614 13.057 1.00 14.71 C ATOM 753 C ARG A 87 78.339 67.435 13.408 1.00 14.51 C ATOM 754 O ARG A 87 78.660 68.396 12.700 1.00 13.32 O ATOM 755 CB ARG A 87 75.847 67.287 13.611 1.00 15.33 C ATOM 756 CG ARG A 87 74.541 66.702 13.067 1.00 11.71 C ATOM 757 CD ARG A 87 73.311 67.499 13.496 1.00 12.06 C ATOM 758 NE ARG A 87 73.112 67.457 14.944 1.00 15.54 N ATOM 759 CZ ARG A 87 73.500 68.402 15.799 1.00 20.19 C ATOM 760 NH1 ARG A 87 74.108 69.506 15.379 1.00 14.73 N ATOM 761 NH2 ARG A 87 73.274 68.238 17.094 1.00 15.86 N ATOM 762 HE ARG A 87 72.630 66.624 15.337 1.00 0.00 H ATOM 763 HH12 ARG A 87 74.402 70.231 16.065 1.00 0.00 H ATOM 764 HH11 ARG A 87 74.290 69.646 14.365 1.00 0.00 H ATOM 765 HH22 ARG A 87 73.573 68.969 17.771 1.00 0.00 H ATOM 766 HH21 ARG A 87 72.798 67.378 17.434 1.00 0.00 H ATOM 767 H ARG A 87 76.541 64.908 14.273 1.00 0.00 H ATOM 768 N ASN A 88 79.045 67.082 14.485 1.00 15.76 N ATOM 769 CA ASN A 88 80.221 67.866 14.850 1.00 13.94 C ATOM 770 C ASN A 88 81.252 67.866 13.726 1.00 14.16 C ATOM 771 O ASN A 88 81.992 68.842 13.565 1.00 17.60 O ATOM 772 CB ASN A 88 80.831 67.339 16.149 1.00 15.21 C ATOM 773 CG ASN A 88 81.498 65.990 15.976 1.00 14.42 C ATOM 774 OD1 ASN A 88 80.889 65.044 15.482 1.00 13.67 O ATOM 775 ND2 ASN A 88 82.761 65.900 16.372 1.00 13.64 N ATOM 776 HD22 ASN A 88 83.237 66.727 16.785 1.00 0.00 H ATOM 777 HD21 ASN A 88 83.275 65.002 16.269 1.00 0.00 H ATOM 778 H ASN A 88 78.761 66.260 15.056 1.00 0.00 H ATOM 779 N LEU A 89 81.303 66.800 12.926 1.00 13.85 N ATOM 780 CA LEU A 89 82.204 66.750 11.782 1.00 15.99 C ATOM 781 C LEU A 89 81.499 66.990 10.458 1.00 12.04 C ATOM 782 O LEU A 89 82.116 67.525 9.531 1.00 15.54 O ATOM 783 CB LEU A 89 82.929 65.399 11.728 1.00 16.21 C ATOM 784 CG LEU A 89 83.745 65.018 12.968 1.00 14.88 C ATOM 785 CD1 LEU A 89 84.530 63.743 12.705 1.00 19.66 C ATOM 786 CD2 LEU A 89 84.674 66.148 13.401 1.00 21.33 C ATOM 787 H LEU A 89 80.686 65.986 13.123 1.00 0.00 H ATOM 788 N LEU A 90 80.217 66.627 10.347 1.00 14.61 N ATOM 789 CA LEU A 90 79.485 66.887 9.112 1.00 12.26 C ATOM 790 C LEU A 90 79.454 68.378 8.795 1.00 14.51 C ATOM 791 O LEU A 90 79.541 68.772 7.627 1.00 13.27 O ATOM 792 CB LEU A 90 78.063 66.334 9.212 1.00 11.29 C ATOM 793 CG LEU A 90 77.903 64.813 9.291 1.00 13.75 C ATOM 794 CD1 LEU A 90 76.448 64.466 9.486 1.00 15.50 C ATOM 795 CD2 LEU A 90 78.445 64.113 8.061 1.00 16.07 C ATOM 796 H LEU A 90 79.740 66.158 11.143 1.00 0.00 H ATOM 797 N THR A 91 79.316 69.225 9.819 1.00 14.72 N ATOM 798 CA THR A 91 79.350 70.665 9.583 1.00 14.16 C ATOM 799 C THR A 91 80.699 71.091 9.019 1.00 17.18 C ATOM 800 O THR A 91 80.771 71.981 8.163 1.00 17.19 O ATOM 801 CB THR A 91 79.049 71.426 10.878 1.00 15.77 C ATOM 802 OG1 THR A 91 79.936 70.991 11.915 1.00 16.96 O ATOM 803 CG2 THR A 91 77.606 71.208 11.319 1.00 12.82 C ATOM 804 HG1 THR A 91 79.736 71.487 12.748 1.00 0.00 H ATOM 805 H THR A 91 79.184 68.859 10.783 1.00 0.00 H ATOM 806 N GLN A 92 81.782 70.454 9.474 1.00 16.44 N ATOM 807 CA GLN A 92 83.116 70.864 9.046 1.00 17.05 C ATOM 808 C GLN A 92 83.349 70.595 7.564 1.00 20.47 C ATOM 809 O GLN A 92 84.046 71.371 6.901 1.00 18.94 O ATOM 810 CB GLN A 92 84.179 70.153 9.886 1.00 16.11 C ATOM 811 CG GLN A 92 84.222 70.598 11.343 1.00 15.88 C ATOM 812 CD GLN A 92 85.544 70.267 12.013 1.00 16.57 C ATOM 813 OE1 GLN A 92 86.553 70.047 11.344 1.00 20.17 O ATOM 814 NE2 GLN A 92 85.544 70.232 13.340 1.00 18.00 N ATOM 815 HE22 GLN A 92 84.667 70.425 13.865 1.00 0.00 H ATOM 816 HE21 GLN A 92 86.421 70.012 13.854 1.00 0.00 H ATOM 817 H GLN A 92 81.674 69.661 10.138 1.00 0.00 H ATOM 818 N ILE A 93 82.776 69.522 7.020 1.00 17.15 N ATOM 819 CA ILE A 93 82.988 69.195 5.615 1.00 18.12 C ATOM 820 C ILE A 93 81.905 69.843 4.760 1.00 19.36 C ATOM 821 O ILE A 93 81.834 69.608 3.550 1.00 20.10 O ATOM 822 CB ILE A 93 83.037 67.671 5.395 1.00 17.89 C ATOM 823 CG1 ILE A 93 81.706 67.021 5.778 1.00 17.77 C ATOM 824 CG2 ILE A 93 84.185 67.071 6.202 1.00 21.65 C ATOM 825 CD1 ILE A 93 81.589 65.583 5.354 1.00 18.22 C ATOM 826 H ILE A 93 82.171 68.911 7.604 1.00 0.00 H ATOM 827 N GLY A 94 81.060 70.667 5.378 1.00 19.17 N ATOM 828 CA GLY A 94 80.055 71.403 4.635 1.00 20.29 C ATOM 829 C GLY A 94 78.850 70.589 4.228 1.00 23.11 C ATOM 830 O GLY A 94 78.234 70.879 3.198 1.00 18.41 O ATOM 831 H GLY A 94 81.122 70.784 6.409 1.00 0.00 H ATOM 832 N CYS A 95 78.481 69.589 5.019 1.00 17.78 N ATOM 833 CA CYS A 95 77.382 68.705 4.659 1.00 16.77 C ATOM 834 C CYS A 95 76.043 69.334 5.033 1.00 19.10 C ATOM 835 O CYS A 95 75.880 69.864 6.136 1.00 22.37 O ATOM 836 CB CYS A 95 77.556 67.353 5.350 1.00 21.78 C ATOM 837 SG CYS A 95 76.451 66.069 4.741 1.00 24.75 S ATOM 838 H CYS A 95 78.987 69.434 5.914 1.00 0.00 H ATOM 839 N THR A 96 75.092 69.278 4.101 1.00 18.25 N ATOM 840 CA THR A 96 73.728 69.732 4.323 1.00 16.27 C ATOM 841 C THR A 96 72.744 68.673 3.843 1.00 13.92 C ATOM 842 O THR A 96 73.066 67.827 3.007 1.00 16.48 O ATOM 843 CB THR A 96 73.434 71.043 3.582 1.00 18.01 C ATOM 844 OG1 THR A 96 73.658 70.857 2.178 1.00 19.58 O ATOM 845 CG2 THR A 96 74.321 72.170 4.103 1.00 19.73 C ATOM 846 HG1 THR A 96 74.601 70.596 2.027 1.00 0.00 H ATOM 847 H THR A 96 75.338 68.890 3.168 1.00 0.00 H ATOM 848 N LEU A 97 71.531 68.742 4.380 1.00 15.79 N ATOM 849 CA LEU A 97 70.407 67.975 3.863 1.00 14.67 C ATOM 850 C LEU A 97 69.639 68.830 2.866 1.00 19.19 C ATOM 851 O LEU A 97 69.473 70.035 3.066 1.00 17.19 O ATOM 852 CB LEU A 97 69.479 67.538 4.995 1.00 12.65 C ATOM 853 CG LEU A 97 70.009 66.454 5.931 1.00 15.97 C ATOM 854 CD1 LEU A 97 69.137 66.370 7.171 1.00 18.88 C ATOM 855 CD2 LEU A 97 70.060 65.113 5.221 1.00 16.71 C ATOM 856 H LEU A 97 71.379 69.366 5.198 1.00 0.00 H ATOM 857 N ASN A 98 69.174 68.200 1.790 1.00 16.20 N ATOM 858 CA ASN A 98 68.502 68.917 0.716 1.00 20.66 C ATOM 859 C ASN A 98 67.359 68.072 0.179 1.00 20.51 C ATOM 860 O ASN A 98 67.526 66.872 -0.048 1.00 22.51 O ATOM 861 CB ASN A 98 69.487 69.254 -0.409 1.00 19.39 C ATOM 862 CG ASN A 98 70.663 70.085 0.076 1.00 20.97 C ATOM 863 OD1 ASN A 98 71.660 69.552 0.567 1.00 23.04 O ATOM 864 ND2 ASN A 98 70.547 71.396 -0.054 1.00 20.72 N ATOM 865 HD22 ASN A 98 69.687 71.803 -0.474 1.00 0.00 H ATOM 866 HD21 ASN A 98 71.316 72.020 0.264 1.00 0.00 H ATOM 867 H ASN A 98 69.294 67.170 1.714 1.00 0.00 H ATOM 868 N PHE A 99 66.207 68.701 -0.025 1.00 24.49 N ATOM 869 CA PHE A 99 65.067 68.028 -0.635 1.00 24.76 C ATOM 870 C PHE A 99 64.130 69.053 -1.259 1.00 29.84 C ATOM 871 O PHE A 99 63.071 68.712 -1.781 1.00 26.83 O ATOM 872 CB PHE A 99 64.322 67.178 0.395 1.00 25.74 C ATOM 873 CG PHE A 99 63.834 67.949 1.578 1.00 26.58 C ATOM 874 CD1 PHE A 99 64.700 68.273 2.605 1.00 27.65 C ATOM 875 CD2 PHE A 99 62.511 68.334 1.673 1.00 30.31 C ATOM 876 CE1 PHE A 99 64.260 68.979 3.699 1.00 32.34 C ATOM 877 CE2 PHE A 99 62.060 69.039 2.766 1.00 34.84 C ATOM 878 CZ PHE A 99 62.937 69.364 3.782 1.00 35.37 C ATOM 879 OXT PHE A 99 64.414 70.251 -1.254 1.00 31.32 O ATOM 880 H PHE A 99 66.116 69.698 0.257 1.00 0.00 H TER 881 PHE A 99 ATOM 882 N PRO B 1 64.013 72.460 0.503 1.00 34.82 N ATOM 883 CA PRO B 1 64.945 73.409 1.118 1.00 32.08 C ATOM 884 C PRO B 1 66.314 72.805 1.405 1.00 29.77 C ATOM 885 O PRO B 1 66.581 71.658 1.044 1.00 26.16 O ATOM 886 CB PRO B 1 64.239 73.793 2.425 1.00 35.85 C ATOM 887 CG PRO B 1 63.363 72.644 2.729 1.00 31.42 C ATOM 888 CD PRO B 1 62.884 72.153 1.397 1.00 34.58 C ATOM 889 HN2 PRO B 1 64.522 71.579 0.286 1.00 0.00 H ATOM 890 HN1 PRO B 1 63.644 72.871 -0.378 1.00 0.00 H ATOM 891 N GLN B 2 67.178 73.592 2.041 1.00 25.64 N ATOM 892 CA GLN B 2 68.489 73.139 2.480 1.00 24.57 C ATOM 893 C GLN B 2 68.584 73.325 3.984 1.00 31.42 C ATOM 894 O GLN B 2 68.291 74.410 4.499 1.00 26.70 O ATOM 895 CB GLN B 2 69.614 73.905 1.783 1.00 26.17 C ATOM 896 CG GLN B 2 71.001 73.563 2.310 1.00 23.71 C ATOM 897 CD GLN B 2 72.110 74.142 1.458 1.00 28.79 C ATOM 898 OE1 GLN B 2 72.458 73.591 0.414 1.00 33.89 O ATOM 899 NE2 GLN B 2 72.673 75.262 1.899 1.00 31.81 N ATOM 900 HE22 GLN B 2 72.347 75.693 2.787 1.00 0.00 H ATOM 901 HE21 GLN B 2 73.440 75.707 1.356 1.00 0.00 H ATOM 902 H GLN B 2 66.903 74.577 2.233 1.00 0.00 H ATOM 903 N ILE B 3 68.989 72.272 4.683 1.00 19.69 N ATOM 904 CA ILE B 3 69.092 72.287 6.134 1.00 22.82 C ATOM 905 C ILE B 3 70.558 72.110 6.496 1.00 19.94 C ATOM 906 O ILE B 3 71.159 71.076 6.180 1.00 14.53 O ATOM 907 CB ILE B 3 68.226 71.193 6.779 1.00 21.91 C ATOM 908 CG1 ILE B 3 66.766 71.352 6.346 1.00 27.39 C ATOM 909 CG2 ILE B 3 68.336 71.258 8.292 1.00 23.58 C ATOM 910 CD1 ILE B 3 65.872 70.212 6.759 1.00 27.69 C ATOM 911 H ILE B 3 69.243 71.402 4.173 1.00 0.00 H ATOM 912 N THR B 4 71.135 73.122 7.139 1.00 20.94 N ATOM 913 CA THR B 4 72.465 72.976 7.700 1.00 16.96 C ATOM 914 C THR B 4 72.380 72.171 8.992 1.00 16.87 C ATOM 915 O THR B 4 71.300 71.938 9.542 1.00 19.26 O ATOM 916 CB THR B 4 73.110 74.342 7.950 1.00 19.53 C ATOM 917 OG1 THR B 4 72.334 75.082 8.901 1.00 25.67 O ATOM 918 CG2 THR B 4 73.213 75.129 6.651 1.00 21.42 C ATOM 919 HG1 THR B 4 72.758 75.963 9.057 1.00 0.00 H ATOM 920 H THR B 4 70.629 74.025 7.240 1.00 0.00 H ATOM 921 N LEU B 5 73.538 71.733 9.479 1.00 14.40 N ATOM 922 CA LEU B 5 73.583 70.788 10.586 1.00 16.84 C ATOM 923 C LEU B 5 74.243 71.373 11.830 1.00 14.81 C ATOM 924 O LEU B 5 74.750 70.620 12.665 1.00 12.72 O ATOM 925 CB LEU B 5 74.295 69.505 10.147 1.00 16.30 C ATOM 926 CG LEU B 5 73.623 68.770 8.982 1.00 15.12 C ATOM 927 CD1 LEU B 5 74.535 67.678 8.434 1.00 16.84 C ATOM 928 CD2 LEU B 5 72.284 68.179 9.402 1.00 17.49 C ATOM 929 H LEU B 5 74.428 72.072 9.061 1.00 0.00 H ATOM 930 N TRP B 6 74.227 72.701 11.988 1.00 14.39 N ATOM 931 CA TRP B 6 74.713 73.294 13.231 1.00 17.28 C ATOM 932 C TRP B 6 73.900 72.805 14.421 1.00 18.82 C ATOM 933 O TRP B 6 74.437 72.623 15.521 1.00 16.88 O ATOM 934 CB TRP B 6 74.652 74.818 13.157 1.00 18.64 C ATOM 935 CG TRP B 6 75.524 75.424 12.115 1.00 18.31 C ATOM 936 CD1 TRP B 6 75.123 76.027 10.961 1.00 15.47 C ATOM 937 CD2 TRP B 6 76.954 75.506 12.136 1.00 16.13 C ATOM 938 NE1 TRP B 6 76.213 76.479 10.260 1.00 17.88 N ATOM 939 CE2 TRP B 6 77.350 76.172 10.962 1.00 17.86 C ATOM 940 CE3 TRP B 6 77.935 75.082 13.036 1.00 19.63 C ATOM 941 CZ2 TRP B 6 78.685 76.420 10.661 1.00 22.68 C ATOM 942 CZ3 TRP B 6 79.264 75.332 12.736 1.00 20.12 C ATOM 943 CH2 TRP B 6 79.625 75.994 11.559 1.00 19.58 C ATOM 944 HE1 TRP B 6 76.182 76.974 9.346 1.00 0.00 H ATOM 945 H TRP B 6 73.869 73.311 11.226 1.00 0.00 H ATOM 946 N LYS B 7 72.600 72.607 14.226 1.00 17.17 N ATOM 947 CA LYS B 7 71.720 72.058 15.243 1.00 14.06 C ATOM 948 C LYS B 7 71.031 70.821 14.685 1.00 15.97 C ATOM 949 O LYS B 7 71.172 70.478 13.509 1.00 13.73 O ATOM 950 CB LYS B 7 70.683 73.094 15.702 1.00 21.98 C ATOM 951 CG LYS B 7 69.708 73.550 14.620 1.00 23.62 C ATOM 952 CD LYS B 7 68.802 74.675 15.129 1.00 25.56 C ATOM 953 CE LYS B 7 67.828 75.152 14.063 1.00 31.19 C ATOM 954 NZ LYS B 7 66.768 74.151 13.773 1.00 30.22 N ATOM 955 HZ1 LYS B 7 67.207 73.271 13.436 1.00 0.00 H ATOM 956 HZ2 LYS B 7 66.227 73.960 14.640 1.00 0.00 H ATOM 957 HZ3 LYS B 7 66.131 74.525 13.041 1.00 0.00 H ATOM 958 H LYS B 7 72.194 72.857 13.302 1.00 0.00 H ATOM 959 N ARG B 8 70.281 70.148 15.545 1.00 16.72 N ATOM 960 CA ARG B 8 69.616 68.922 15.131 1.00 15.14 C ATOM 961 C ARG B 8 68.619 69.229 14.016 1.00 15.47 C ATOM 962 O ARG B 8 67.864 70.207 14.120 1.00 15.58 O ATOM 963 CB ARG B 8 68.906 68.271 16.317 1.00 15.55 C ATOM 964 CG ARG B 8 69.853 67.736 17.372 1.00 15.83 C ATOM 965 CD ARG B 8 69.114 66.989 18.473 1.00 21.82 C ATOM 966 NE ARG B 8 70.034 66.304 19.379 1.00 23.69 N ATOM 967 CZ ARG B 8 69.665 65.415 20.297 1.00 29.87 C ATOM 968 NH1 ARG B 8 68.389 65.088 20.441 1.00 25.04 N ATOM 969 NH2 ARG B 8 70.577 64.843 21.072 1.00 25.58 N ATOM 970 HE ARG B 8 71.047 66.527 19.300 1.00 0.00 H ATOM 971 HH12 ARG B 8 68.109 64.392 21.161 1.00 0.00 H ATOM 972 HH11 ARG B 8 67.668 65.527 19.834 1.00 0.00 H ATOM 973 HH22 ARG B 8 70.288 64.148 21.790 1.00 0.00 H ATOM 974 HH21 ARG B 8 71.581 65.090 20.962 1.00 0.00 H ATOM 975 H ARG B 8 70.167 70.497 16.518 1.00 0.00 H ATOM 976 N PRO B 9 68.584 68.433 12.939 1.00 12.09 N ATOM 977 CA PRO B 9 67.634 68.684 11.834 1.00 12.87 C ATOM 978 C PRO B 9 66.226 68.212 12.174 1.00 16.01 C ATOM 979 O PRO B 9 65.725 67.196 11.678 1.00 14.24 O ATOM 980 CB PRO B 9 68.264 67.899 10.680 1.00 15.44 C ATOM 981 CG PRO B 9 68.918 66.747 11.351 1.00 15.05 C ATOM 982 CD PRO B 9 69.469 67.290 12.643 1.00 15.76 C ATOM 983 N LEU B 10 65.572 68.966 13.054 1.00 13.15 N ATOM 984 CA LEU B 10 64.219 68.651 13.488 1.00 15.22 C ATOM 985 C LEU B 10 63.213 69.336 12.579 1.00 21.57 C ATOM 986 O LEU B 10 63.383 70.501 12.210 1.00 15.95 O ATOM 987 CB LEU B 10 63.994 69.097 14.933 1.00 17.46 C ATOM 988 CG LEU B 10 64.760 68.325 16.002 1.00 17.87 C ATOM 989 CD1 LEU B 10 64.681 69.051 17.337 1.00 25.23 C ATOM 990 CD2 LEU B 10 64.216 66.907 16.123 1.00 22.31 C ATOM 991 H LEU B 10 66.043 69.807 13.444 1.00 0.00 H ATOM 992 N VAL B 11 62.158 68.603 12.223 1.00 16.13 N ATOM 993 CA VAL B 11 61.100 69.126 11.372 1.00 15.75 C ATOM 994 C VAL B 11 59.766 68.633 11.911 1.00 17.11 C ATOM 995 O VAL B 11 59.695 67.665 12.670 1.00 15.83 O ATOM 996 CB VAL B 11 61.274 68.706 9.893 1.00 16.39 C ATOM 997 CG1 VAL B 11 62.622 69.185 9.354 1.00 20.44 C ATOM 998 CG2 VAL B 11 61.145 67.199 9.736 1.00 19.44 C ATOM 999 H VAL B 11 62.089 67.623 12.565 1.00 0.00 H ATOM 1000 N THR B 12 58.699 69.319 11.510 1.00 18.83 N ATOM 1001 CA THR B 12 57.356 68.911 11.892 1.00 16.91 C ATOM 1002 C THR B 12 56.858 67.834 10.936 1.00 17.63 C ATOM 1003 O THR B 12 57.008 67.952 9.717 1.00 19.22 O ATOM 1004 CB THR B 12 56.403 70.107 11.886 1.00 19.54 C ATOM 1005 OG1 THR B 12 56.938 71.149 12.708 1.00 18.50 O ATOM 1006 CG2 THR B 12 55.032 69.708 12.421 1.00 21.72 C ATOM 1007 HG1 THR B 12 57.044 70.816 13.634 1.00 0.00 H ATOM 1008 H THR B 12 58.827 70.161 10.913 1.00 0.00 H ATOM 1009 N ILE B 13 56.284 66.776 11.499 1.00 19.77 N ATOM 1010 CA ILE B 13 55.700 65.691 10.728 1.00 16.40 C ATOM 1011 C ILE B 13 54.238 65.572 11.137 1.00 19.31 C ATOM 1012 O ILE B 13 53.828 66.047 12.198 1.00 19.37 O ATOM 1013 CB ILE B 13 56.445 64.355 10.946 1.00 17.24 C ATOM 1014 CG1 ILE B 13 56.311 63.898 12.404 1.00 24.24 C ATOM 1015 CG2 ILE B 13 57.914 64.509 10.567 1.00 20.46 C ATOM 1016 CD1 ILE B 13 56.876 62.531 12.685 1.00 22.66 C ATOM 1017 H ILE B 13 56.251 66.722 12.537 1.00 0.00 H ATOM 1018 N LYS B 14 53.446 64.935 10.275 1.00 20.25 N ATOM 1019 CA LYS B 14 52.055 64.616 10.582 1.00 22.77 C ATOM 1020 C LYS B 14 51.843 63.124 10.383 1.00 23.79 C ATOM 1021 O LYS B 14 52.097 62.603 9.292 1.00 23.10 O ATOM 1022 CB LYS B 14 51.082 65.414 9.708 1.00 24.06 C ATOM 1023 CG LYS B 14 49.621 65.142 10.056 1.00 27.25 C ATOM 1024 CD LYS B 14 48.661 66.083 9.350 1.00 31.42 C ATOM 1025 CE LYS B 14 48.511 65.744 7.880 1.00 38.61 C ATOM 1026 NZ LYS B 14 47.152 66.106 7.386 1.00 54.57 N ATOM 1027 HZ1 LYS B 14 46.436 65.579 7.926 1.00 0.00 H ATOM 1028 HZ2 LYS B 14 47.000 67.127 7.511 1.00 0.00 H ATOM 1029 HZ3 LYS B 14 47.075 65.864 6.377 1.00 0.00 H ATOM 1030 H LYS B 14 53.833 64.655 9.351 1.00 0.00 H ATOM 1031 N ILE B 15 51.384 62.443 11.430 1.00 22.69 N ATOM 1032 CA ILE B 15 51.152 61.001 11.383 1.00 23.81 C ATOM 1033 C ILE B 15 49.992 60.665 12.306 1.00 30.21 C ATOM 1034 O ILE B 15 49.947 61.119 13.454 1.00 26.57 O ATOM 1035 CB ILE B 15 52.394 60.190 11.793 1.00 29.28 C ATOM 1036 CG1 ILE B 15 52.009 58.716 11.956 1.00 30.05 C ATOM 1037 CG2 ILE B 15 52.985 60.740 13.088 1.00 27.01 C ATOM 1038 CD1 ILE B 15 53.174 57.800 12.073 1.00 32.77 C ATOM 1039 H ILE B 15 51.183 62.955 12.313 1.00 0.00 H ATOM 1040 N GLY B 16 49.075 59.840 11.814 1.00 29.14 N ATOM 1041 CA GLY B 16 47.912 59.469 12.611 1.00 38.37 C ATOM 1042 C GLY B 16 47.119 60.660 13.089 1.00 31.29 C ATOM 1043 O GLY B 16 46.570 60.644 14.199 1.00 37.23 O ATOM 1044 H GLY B 16 49.187 59.456 10.854 1.00 0.00 H ATOM 1045 N GLY B 17 47.045 61.709 12.272 1.00 26.16 N ATOM 1046 CA GLY B 17 46.328 62.911 12.643 1.00 26.93 C ATOM 1047 C GLY B 17 46.980 63.748 13.720 1.00 31.79 C ATOM 1048 O GLY B 17 46.320 64.630 14.279 1.00 28.84 O ATOM 1049 H GLY B 17 47.514 61.664 11.345 1.00 0.00 H ATOM 1050 N GLN B 18 48.251 63.506 14.033 1.00 31.45 N ATOM 1051 CA GLN B 18 48.972 64.255 15.053 1.00 26.14 C ATOM 1052 C GLN B 18 50.197 64.916 14.438 1.00 27.46 C ATOM 1053 O GLN B 18 50.830 64.352 13.540 1.00 20.04 O ATOM 1054 CB GLN B 18 49.411 63.347 16.208 1.00 33.88 C ATOM 1055 CG GLN B 18 48.275 62.806 17.055 1.00 34.82 C ATOM 1056 CD GLN B 18 48.776 62.126 18.314 1.00 46.65 C ATOM 1057 OE1 GLN B 18 49.634 61.243 18.260 1.00 39.42 O ATOM 1058 NE2 GLN B 18 48.253 62.548 19.460 1.00 57.16 N ATOM 1059 HE22 GLN B 18 47.531 63.296 19.458 1.00 0.00 H ATOM 1060 HE21 GLN B 18 48.566 62.130 20.359 1.00 0.00 H ATOM 1061 H GLN B 18 48.752 62.748 13.526 1.00 0.00 H ATOM 1062 N LEU B 19 50.524 66.112 14.923 1.00 22.87 N ATOM 1063 CA LEU B 19 51.758 66.792 14.559 1.00 22.92 C ATOM 1064 C LEU B 19 52.825 66.498 15.604 1.00 19.24 C ATOM 1065 O LEU B 19 52.544 66.470 16.806 1.00 21.93 O ATOM 1066 CB LEU B 19 51.557 68.304 14.445 1.00 21.01 C ATOM 1067 CG LEU B 19 50.528 68.814 13.434 1.00 25.49 C ATOM 1068 CD1 LEU B 19 50.646 70.326 13.307 1.00 27.80 C ATOM 1069 CD2 LEU B 19 50.689 68.150 12.078 1.00 25.01 C ATOM 1070 H LEU B 19 49.873 66.578 15.587 1.00 0.00 H ATOM 1071 N LYS B 20 54.051 66.277 15.138 1.00 21.46 N ATOM 1072 CA LYS B 20 55.161 65.962 16.023 1.00 20.36 C ATOM 1073 C LYS B 20 56.446 66.470 15.390 1.00 17.08 C ATOM 1074 O LYS B 20 56.504 66.731 14.188 1.00 20.26 O ATOM 1075 CB LYS B 20 55.257 64.455 16.289 1.00 20.75 C ATOM 1076 CG LYS B 20 53.979 63.847 16.851 1.00 28.55 C ATOM 1077 CD LYS B 20 54.156 62.382 17.198 1.00 37.05 C ATOM 1078 CE LYS B 20 52.943 61.840 17.946 1.00 41.16 C ATOM 1079 NZ LYS B 20 52.734 62.523 19.257 1.00 43.70 N ATOM 1080 HZ1 LYS B 20 53.572 62.383 19.857 1.00 0.00 H ATOM 1081 HZ2 LYS B 20 52.587 63.540 19.097 1.00 0.00 H ATOM 1082 HZ3 LYS B 20 51.898 62.120 19.727 1.00 0.00 H ATOM 1083 H LYS B 20 54.220 66.331 14.113 1.00 0.00 H ATOM 1084 N GLU B 21 57.475 66.618 16.219 1.00 19.59 N ATOM 1085 CA GLU B 21 58.803 66.989 15.753 1.00 17.18 C ATOM 1086 C GLU B 21 59.675 65.743 15.661 1.00 14.62 C ATOM 1087 O GLU B 21 59.666 64.900 16.562 1.00 15.98 O ATOM 1088 CB GLU B 21 59.452 68.014 16.687 1.00 22.44 C ATOM 1089 CG GLU B 21 58.669 69.311 16.864 1.00 23.17 C ATOM 1090 CD GLU B 21 58.532 70.114 15.582 1.00 23.58 C ATOM 1091 OE1 GLU B 21 57.403 70.203 15.053 1.00 24.94 O ATOM 1092 OE2 GLU B 21 59.549 70.662 15.103 1.00 25.58 O ATOM 1093 H GLU B 21 57.326 66.463 17.237 1.00 0.00 H ATOM 1094 N ALA B 22 60.433 65.634 14.569 1.00 14.72 N ATOM 1095 CA ALA B 22 61.213 64.434 14.305 1.00 16.00 C ATOM 1096 C ALA B 22 62.515 64.798 13.608 1.00 15.39 C ATOM 1097 O ALA B 22 62.597 65.799 12.892 1.00 13.82 O ATOM 1098 CB ALA B 22 60.433 63.438 13.441 1.00 15.63 C ATOM 1099 H ALA B 22 60.467 66.423 13.892 1.00 0.00 H ATOM 1100 N LEU B 23 63.525 63.958 13.820 1.00 14.46 N ATOM 1101 CA LEU B 23 64.822 64.118 13.178 1.00 14.21 C ATOM 1102 C LEU B 23 64.800 63.568 11.761 1.00 19.27 C ATOM 1103 O LEU B 23 64.278 62.478 11.513 1.00 24.22 O ATOM 1104 CB LEU B 23 65.907 63.370 13.955 1.00 15.64 C ATOM 1105 CG LEU B 23 66.393 63.871 15.304 1.00 22.36 C ATOM 1106 CD1 LEU B 23 67.334 62.840 15.912 1.00 21.60 C ATOM 1107 CD2 LEU B 23 67.095 65.199 15.144 1.00 19.37 C ATOM 1108 H LEU B 23 63.383 63.157 14.468 1.00 0.00 H ATOM 1109 N LEU B 24 65.403 64.309 10.836 1.00 14.30 N ATOM 1110 CA LEU B 24 65.759 63.760 9.529 1.00 14.08 C ATOM 1111 C LEU B 24 67.100 63.061 9.706 1.00 16.10 C ATOM 1112 O LEU B 24 68.137 63.714 9.841 1.00 14.00 O ATOM 1113 CB LEU B 24 65.825 64.854 8.473 1.00 18.03 C ATOM 1114 CG LEU B 24 64.549 65.677 8.289 1.00 18.89 C ATOM 1115 CD1 LEU B 24 64.761 66.723 7.210 1.00 22.68 C ATOM 1116 CD2 LEU B 24 63.373 64.793 7.940 1.00 18.02 C ATOM 1117 H LEU B 24 65.627 65.302 11.047 1.00 0.00 H ATOM 1118 N ASP B 25 67.083 61.727 9.711 1.00 14.32 N ATOM 1119 CA ASP B 25 68.208 60.931 10.197 1.00 11.78 C ATOM 1120 C ASP B 25 68.713 59.989 9.105 1.00 14.24 C ATOM 1121 O ASP B 25 68.173 58.894 8.912 1.00 12.50 O ATOM 1122 CB ASP B 25 67.807 60.150 11.445 1.00 11.48 C ATOM 1123 CG ASP B 25 68.996 59.518 12.135 1.00 14.81 C ATOM 1124 OD1 ASP B 25 70.108 59.562 11.564 1.00 12.65 O ATOM 1125 OD2 ASP B 25 68.830 58.989 13.251 1.00 12.85 O ATOM 1126 H ASP B 25 66.238 61.236 9.356 1.00 0.00 H ATOM 1127 N THR B 26 69.780 60.404 8.421 1.00 14.41 N ATOM 1128 CA THR B 26 70.407 59.557 7.414 1.00 12.85 C ATOM 1129 C THR B 26 71.054 58.317 8.014 1.00 12.56 C ATOM 1130 O THR B 26 71.362 57.377 7.273 1.00 15.58 O ATOM 1131 CB THR B 26 71.463 60.352 6.642 1.00 13.62 C ATOM 1132 OG1 THR B 26 72.501 60.771 7.537 1.00 15.60 O ATOM 1133 CG2 THR B 26 70.840 61.571 5.991 1.00 13.40 C ATOM 1134 HG1 THR B 26 72.923 59.975 7.947 1.00 0.00 H ATOM 1135 H THR B 26 70.172 61.349 8.609 1.00 0.00 H ATOM 1136 N GLY B 27 71.284 58.295 9.326 1.00 11.73 N ATOM 1137 CA GLY B 27 71.869 57.144 9.979 1.00 16.83 C ATOM 1138 C GLY B 27 70.894 56.055 10.362 1.00 14.07 C ATOM 1139 O GLY B 27 71.313 55.022 10.892 1.00 13.31 O ATOM 1140 H GLY B 27 71.036 59.128 9.897 1.00 0.00 H ATOM 1141 N ALA B 28 69.602 56.255 10.116 1.00 15.90 N ATOM 1142 CA ALA B 28 68.570 55.277 10.439 1.00 13.61 C ATOM 1143 C ALA B 28 68.041 54.653 9.151 1.00 12.99 C ATOM 1144 O ALA B 28 67.567 55.370 8.263 1.00 13.69 O ATOM 1145 CB ALA B 28 67.432 55.932 11.222 1.00 14.10 C ATOM 1146 H ALA B 28 69.315 57.151 9.673 1.00 0.00 H ATOM 1147 N ASP B 29 68.130 53.320 9.052 1.00 16.55 N ATOM 1148 CA ASP B 29 67.494 52.611 7.943 1.00 15.36 C ATOM 1149 C ASP B 29 65.996 52.869 7.922 1.00 20.02 C ATOM 1150 O ASP B 29 65.412 53.129 6.862 1.00 17.03 O ATOM 1151 CB ASP B 29 67.727 51.100 8.054 1.00 18.27 C ATOM 1152 CG ASP B 29 69.184 50.698 7.918 1.00 23.28 C ATOM 1153 OD1 ASP B 29 70.020 51.528 7.506 1.00 20.20 O ATOM 1154 OD2 ASP B 29 69.488 49.523 8.233 1.00 19.51 O ATOM 1155 H ASP B 29 68.657 52.784 9.771 1.00 0.00 H ATOM 1156 N ASP B 30 65.360 52.783 9.086 1.00 16.44 N ATOM 1157 CA ASP B 30 63.917 52.814 9.241 1.00 16.25 C ATOM 1158 C ASP B 30 63.517 53.964 10.159 1.00 17.03 C ATOM 1159 O ASP B 30 64.355 54.609 10.795 1.00 18.81 O ATOM 1160 CB ASP B 30 63.413 51.480 9.810 1.00 19.92 C ATOM 1161 CG ASP B 30 63.810 50.296 8.955 1.00 23.70 C ATOM 1162 OD1 ASP B 30 63.405 50.253 7.777 1.00 27.26 O ATOM 1163 OD2 ASP B 30 64.539 49.417 9.461 1.00 35.11 O ATOM 1164 H ASP B 30 65.937 52.687 9.946 1.00 0.00 H ATOM 1165 N THR B 31 62.210 54.195 10.231 1.00 15.50 N ATOM 1166 CA THR B 31 61.625 55.300 10.979 1.00 14.34 C ATOM 1167 C THR B 31 61.110 54.800 12.323 1.00 17.82 C ATOM 1168 O THR B 31 60.437 53.765 12.390 1.00 19.33 O ATOM 1169 CB THR B 31 60.493 55.930 10.165 1.00 16.58 C ATOM 1170 OG1 THR B 31 61.043 56.556 8.998 1.00 18.40 O ATOM 1171 CG2 THR B 31 59.705 56.958 10.977 1.00 17.00 C ATOM 1172 HG1 THR B 31 61.509 55.877 8.449 1.00 0.00 H ATOM 1173 H THR B 31 61.569 53.551 9.725 1.00 0.00 H ATOM 1174 N VAL B 32 61.420 55.540 13.385 1.00 13.81 N ATOM 1175 CA VAL B 32 61.100 55.147 14.752 1.00 13.10 C ATOM 1176 C VAL B 32 60.441 56.335 15.438 1.00 19.50 C ATOM 1177 O VAL B 32 61.039 57.416 15.522 1.00 16.83 O ATOM 1178 CB VAL B 32 62.348 54.707 15.535 1.00 14.29 C ATOM 1179 CG1 VAL B 32 61.943 54.062 16.858 1.00 16.71 C ATOM 1180 CG2 VAL B 32 63.197 53.758 14.710 1.00 15.81 C ATOM 1181 H VAL B 32 61.914 56.442 13.232 1.00 0.00 H ATOM 1182 N LEU B 33 59.224 56.139 15.940 1.00 14.83 N ATOM 1183 CA LEU B 33 58.466 57.222 16.547 1.00 13.91 C ATOM 1184 C LEU B 33 58.108 56.897 17.990 1.00 20.55 C ATOM 1185 O LEU B 33 57.917 55.733 18.360 1.00 15.23 O ATOM 1186 CB LEU B 33 57.191 57.514 15.752 1.00 19.36 C ATOM 1187 CG LEU B 33 57.411 57.842 14.276 1.00 22.04 C ATOM 1188 CD1 LEU B 33 56.081 58.026 13.608 1.00 28.47 C ATOM 1189 CD2 LEU B 33 58.266 59.084 14.100 1.00 22.33 C ATOM 1190 H LEU B 33 58.805 55.188 15.897 1.00 0.00 H ATOM 1191 N GLU B 34 58.029 57.955 18.796 1.00 15.12 N ATOM 1192 CA GLU B 34 57.611 57.873 20.189 1.00 18.73 C ATOM 1193 C GLU B 34 56.315 57.093 20.332 1.00 21.48 C ATOM 1194 O GLU B 34 55.493 57.061 19.410 1.00 19.50 O ATOM 1195 CB GLU B 34 57.423 59.275 20.772 1.00 25.85 C ATOM 1196 CG GLU B 34 56.330 60.080 20.070 1.00 32.94 C ATOM 1197 CD GLU B 34 56.110 61.444 20.688 1.00 41.29 C ATOM 1198 OE1 GLU B 34 55.687 61.503 21.861 1.00 43.39 O ATOM 1199 OE2 GLU B 34 56.359 62.457 19.998 1.00 39.34 O ATOM 1200 H GLU B 34 58.279 58.888 18.410 1.00 0.00 H ATOM 1201 N GLU B 35 56.115 56.492 21.500 1.00 22.94 N ATOM 1202 CA GLU B 35 54.908 55.724 21.764 1.00 23.16 C ATOM 1203 C GLU B 35 53.672 56.511 21.357 1.00 24.27 C ATOM 1204 O GLU B 35 53.470 57.648 21.793 1.00 23.43 O ATOM 1205 CB GLU B 35 54.847 55.362 23.249 1.00 28.46 C ATOM 1206 CG GLU B 35 53.564 54.672 23.671 1.00 27.77 C ATOM 1207 CD GLU B 35 53.302 53.404 22.890 1.00 30.04 C ATOM 1208 OE1 GLU B 35 54.279 52.697 22.564 1.00 27.81 O ATOM 1209 OE2 GLU B 35 52.121 53.116 22.600 1.00 31.49 O ATOM 1210 H GLU B 35 56.838 56.573 22.243 1.00 0.00 H ATOM 1211 N MET B 36 52.858 55.907 20.499 1.00 23.49 N ATOM 1212 CA MET B 36 51.564 56.461 20.140 1.00 30.32 C ATOM 1213 C MET B 36 50.642 55.296 19.815 1.00 32.05 C ATOM 1214 O MET B 36 51.091 54.245 19.353 1.00 23.90 O ATOM 1215 CB MET B 36 51.671 57.438 18.960 1.00 29.91 C ATOM 1216 CG MET B 36 52.208 56.824 17.682 1.00 25.40 C ATOM 1217 SD MET B 36 52.564 58.036 16.385 1.00 30.90 S ATOM 1218 CE MET B 36 51.066 59.024 16.381 1.00 34.26 C ATOM 1219 H MET B 36 53.157 55.008 20.070 1.00 0.00 H ATOM 1220 N ASN B 37 49.349 55.483 20.081 1.00 33.84 N ATOM 1221 CA ASN B 37 48.378 54.392 19.975 1.00 35.83 C ATOM 1222 C ASN B 37 47.731 54.423 18.592 1.00 33.28 C ATOM 1223 O ASN B 37 46.586 54.840 18.412 1.00 34.72 O ATOM 1224 CB ASN B 37 47.340 54.497 21.085 1.00 27.73 C ATOM 1225 H ASN B 37 49.022 56.427 20.371 1.00 0.00 H ATOM 1226 N LEU B 38 48.484 53.951 17.598 1.00 29.40 N ATOM 1227 CA LEU B 38 47.960 53.866 16.244 1.00 26.81 C ATOM 1228 C LEU B 38 46.984 52.695 16.120 1.00 33.10 C ATOM 1229 O LEU B 38 47.144 51.670 16.787 1.00 31.68 O ATOM 1230 CB LEU B 38 49.088 53.685 15.232 1.00 26.41 C ATOM 1231 CG LEU B 38 50.045 54.851 14.971 1.00 28.23 C ATOM 1232 CD1 LEU B 38 51.161 54.418 14.030 1.00 24.00 C ATOM 1233 CD2 LEU B 38 49.311 56.050 14.395 1.00 35.25 C ATOM 1234 H LEU B 38 49.457 53.640 17.793 1.00 0.00 H ATOM 1235 N PRO B 39 45.974 52.815 15.264 1.00 33.81 N ATOM 1236 CA PRO B 39 45.075 51.685 15.022 1.00 32.95 C ATOM 1237 C PRO B 39 45.686 50.676 14.063 1.00 27.26 C ATOM 1238 O PRO B 39 46.630 50.961 13.325 1.00 29.76 O ATOM 1239 CB PRO B 39 43.837 52.345 14.407 1.00 33.58 C ATOM 1240 CG PRO B 39 44.381 53.530 13.694 1.00 39.37 C ATOM 1241 CD PRO B 39 45.564 54.010 14.505 1.00 35.28 C ATOM 1242 N GLY B 40 45.120 49.475 14.089 1.00 32.07 N ATOM 1243 CA GLY B 40 45.496 48.429 13.159 1.00 28.18 C ATOM 1244 C GLY B 40 46.456 47.429 13.770 1.00 27.69 C ATOM 1245 O GLY B 40 46.866 47.522 14.931 1.00 31.12 O ATOM 1246 H GLY B 40 44.385 49.279 14.798 1.00 0.00 H ATOM 1247 N ARG B 41 46.818 46.453 12.945 1.00 27.11 N ATOM 1248 CA ARG B 41 47.704 45.383 13.367 1.00 25.85 C ATOM 1249 C ARG B 41 49.160 45.835 13.308 1.00 27.50 C ATOM 1250 O ARG B 41 49.516 46.800 12.626 1.00 24.02 O ATOM 1251 CB ARG B 41 47.508 44.148 12.490 1.00 28.76 C ATOM 1252 H ARG B 41 46.457 46.455 11.970 1.00 0.00 H ATOM 1253 N TRP B 42 50.005 45.112 14.037 1.00 23.88 N ATOM 1254 CA TRP B 42 51.425 45.421 14.101 1.00 22.48 C ATOM 1255 C TRP B 42 52.194 44.141 14.386 1.00 25.97 C ATOM 1256 O TRP B 42 51.625 43.131 14.810 1.00 19.52 O ATOM 1257 CB TRP B 42 51.720 46.469 15.178 1.00 19.31 C ATOM 1258 CG TRP B 42 51.177 46.104 16.520 1.00 23.06 C ATOM 1259 CD1 TRP B 42 49.933 46.383 17.003 1.00 30.98 C ATOM 1260 CD2 TRP B 42 51.859 45.392 17.557 1.00 29.14 C ATOM 1261 NE1 TRP B 42 49.797 45.889 18.276 1.00 31.62 N ATOM 1262 CE2 TRP B 42 50.965 45.273 18.639 1.00 29.33 C ATOM 1263 CE3 TRP B 42 53.137 44.841 17.674 1.00 24.50 C ATOM 1264 CZ2 TRP B 42 51.311 44.632 19.826 1.00 32.28 C ATOM 1265 CZ3 TRP B 42 53.479 44.201 18.853 1.00 28.38 C ATOM 1266 CH2 TRP B 42 52.570 44.102 19.913 1.00 28.36 C ATOM 1267 HE1 TRP B 42 48.946 45.969 18.868 1.00 0.00 H ATOM 1268 H TRP B 42 49.640 44.302 14.577 1.00 0.00 H ATOM 1269 N LYS B 43 53.504 44.200 14.149 1.00 22.88 N ATOM 1270 CA LYS B 43 54.387 43.078 14.408 1.00 22.94 C ATOM 1271 C LYS B 43 55.487 43.485 15.383 1.00 21.51 C ATOM 1272 O LYS B 43 56.068 44.566 15.236 1.00 20.24 O ATOM 1273 CB LYS B 43 55.022 42.569 13.107 1.00 24.47 C ATOM 1274 H LYS B 43 53.907 45.079 13.766 1.00 0.00 H ATOM 1275 N PRO B 44 55.799 42.655 16.380 1.00 18.25 N ATOM 1276 CA PRO B 44 56.871 43.010 17.316 1.00 17.18 C ATOM 1277 C PRO B 44 58.228 42.991 16.635 1.00 14.78 C ATOM 1278 O PRO B 44 58.480 42.205 15.719 1.00 18.64 O ATOM 1279 CB PRO B 44 56.782 41.926 18.401 1.00 25.83 C ATOM 1280 CG PRO B 44 55.497 41.214 18.167 1.00 24.29 C ATOM 1281 CD PRO B 44 55.189 41.357 16.721 1.00 22.09 C ATOM 1282 N LYS B 45 59.114 43.866 17.108 1.00 19.74 N ATOM 1283 CA LYS B 45 60.461 43.973 16.568 1.00 16.80 C ATOM 1284 C LYS B 45 61.373 44.514 17.662 1.00 16.96 C ATOM 1285 O LYS B 45 60.915 45.179 18.595 1.00 15.14 O ATOM 1286 CB LYS B 45 60.483 44.882 15.328 1.00 16.49 C ATOM 1287 CG LYS B 45 61.784 44.888 14.537 1.00 20.08 C ATOM 1288 CD LYS B 45 61.634 45.719 13.263 1.00 23.91 C ATOM 1289 CE LYS B 45 62.929 45.806 12.467 1.00 29.49 C ATOM 1290 NZ LYS B 45 63.347 44.488 11.913 1.00 41.47 N ATOM 1291 HZ1 LYS B 45 63.494 43.816 12.693 1.00 0.00 H ATOM 1292 HZ2 LYS B 45 62.605 44.128 11.280 1.00 0.00 H ATOM 1293 HZ3 LYS B 45 64.233 44.602 11.381 1.00 0.00 H ATOM 1294 H LYS B 45 58.834 44.493 17.889 1.00 0.00 H ATOM 1295 N MET B 46 62.662 44.200 17.559 1.00 15.58 N ATOM 1296 CA MET B 46 63.677 44.764 18.439 1.00 15.91 C ATOM 1297 C MET B 46 64.728 45.437 17.570 1.00 19.52 C ATOM 1298 O MET B 46 65.174 44.861 16.570 1.00 14.05 O ATOM 1299 CB MET B 46 64.294 43.689 19.348 1.00 18.79 C ATOM 1300 CG MET B 46 63.468 43.450 20.623 1.00 24.64 C ATOM 1301 SD MET B 46 64.036 42.115 21.692 1.00 36.66 S ATOM 1302 CE MET B 46 65.495 42.858 22.428 1.00 23.83 C ATOM 1303 H MET B 46 62.956 43.527 16.823 1.00 0.00 H ATOM 1304 N ILE B 47 65.090 46.666 17.928 1.00 15.88 N ATOM 1305 CA ILE B 47 66.023 47.469 17.151 1.00 19.18 C ATOM 1306 C ILE B 47 67.117 47.959 18.086 1.00 15.33 C ATOM 1307 O ILE B 47 66.861 48.251 19.260 1.00 14.17 O ATOM 1308 CB ILE B 47 65.316 48.646 16.445 1.00 14.31 C ATOM 1309 CG1 ILE B 47 64.608 49.554 17.456 1.00 17.30 C ATOM 1310 CG2 ILE B 47 64.312 48.101 15.432 1.00 16.14 C ATOM 1311 CD1 ILE B 47 64.171 50.884 16.882 1.00 14.89 C ATOM 1312 H ILE B 47 64.690 47.070 18.799 1.00 0.00 H ATOM 1313 N GLY B 48 68.339 48.029 17.573 1.00 15.88 N ATOM 1314 CA GLY B 48 69.502 48.281 18.396 1.00 17.53 C ATOM 1315 C GLY B 48 70.291 49.482 17.921 1.00 16.32 C ATOM 1316 O GLY B 48 70.365 49.768 16.725 1.00 16.71 O ATOM 1317 H GLY B 48 68.464 47.899 16.549 1.00 0.00 H ATOM 1318 N GLY B 49 70.880 50.181 18.872 1.00 16.86 N ATOM 1319 CA GLY B 49 71.762 51.299 18.592 1.00 15.96 C ATOM 1320 C GLY B 49 72.723 51.457 19.745 1.00 16.66 C ATOM 1321 O GLY B 49 73.004 50.500 20.473 1.00 14.84 O ATOM 1322 H GLY B 49 70.705 49.920 19.863 1.00 0.00 H ATOM 1323 N ILE B 50 73.235 52.673 19.923 1.00 18.97 N ATOM 1324 CA ILE B 50 74.109 52.928 21.059 1.00 17.09 C ATOM 1325 C ILE B 50 73.327 52.683 22.340 1.00 18.45 C ATOM 1326 O ILE B 50 72.224 53.212 22.527 1.00 18.69 O ATOM 1327 CB ILE B 50 74.676 54.353 20.988 1.00 18.46 C ATOM 1328 CG1 ILE B 50 75.737 54.423 19.887 1.00 17.83 C ATOM 1329 CG2 ILE B 50 75.266 54.779 22.334 1.00 19.65 C ATOM 1330 CD1 ILE B 50 76.257 55.816 19.597 1.00 18.58 C ATOM 1331 H ILE B 50 73.012 53.437 19.254 1.00 0.00 H ATOM 1332 N GLY B 51 73.891 51.859 23.225 1.00 17.80 N ATOM 1333 CA GLY B 51 73.271 51.527 24.487 1.00 20.92 C ATOM 1334 C GLY B 51 72.514 50.216 24.489 1.00 23.56 C ATOM 1335 O GLY B 51 72.247 49.670 25.567 1.00 22.65 O ATOM 1336 H GLY B 51 74.815 51.439 22.997 1.00 0.00 H ATOM 1337 N GLY B 52 72.159 49.699 23.318 1.00 18.74 N ATOM 1338 CA GLY B 52 71.474 48.425 23.246 1.00 21.21 C ATOM 1339 C GLY B 52 70.187 48.486 22.455 1.00 19.60 C ATOM 1340 O GLY B 52 70.038 49.321 21.558 1.00 16.26 O ATOM 1341 H GLY B 52 72.376 50.216 22.442 1.00 0.00 H ATOM 1342 N PHE B 53 69.241 47.618 22.794 1.00 15.61 N ATOM 1343 CA PHE B 53 68.035 47.440 22.001 1.00 13.96 C ATOM 1344 C PHE B 53 66.811 47.940 22.754 1.00 15.83 C ATOM 1345 O PHE B 53 66.784 47.967 23.988 1.00 17.30 O ATOM 1346 CB PHE B 53 67.847 45.968 21.620 1.00 16.05 C ATOM 1347 CG PHE B 53 68.803 45.492 20.564 1.00 17.14 C ATOM 1348 CD1 PHE B 53 70.131 45.256 20.875 1.00 20.74 C ATOM 1349 CD2 PHE B 53 68.378 45.283 19.263 1.00 16.98 C ATOM 1350 CE1 PHE B 53 71.015 44.817 19.911 1.00 15.46 C ATOM 1351 CE2 PHE B 53 69.260 44.848 18.293 1.00 19.07 C ATOM 1352 CZ PHE B 53 70.583 44.617 18.621 1.00 18.55 C ATOM 1353 H PHE B 53 69.367 47.047 23.654 1.00 0.00 H ATOM 1354 N ILE B 54 65.800 48.348 21.988 1.00 15.21 N ATOM 1355 CA ILE B 54 64.480 48.639 22.524 1.00 15.95 C ATOM 1356 C ILE B 54 63.459 47.843 21.725 1.00 16.67 C ATOM 1357 O ILE B 54 63.686 47.467 20.572 1.00 16.36 O ATOM 1358 CB ILE B 54 64.127 50.144 22.500 1.00 18.44 C ATOM 1359 CG1 ILE B 54 64.149 50.698 21.073 1.00 16.64 C ATOM 1360 CG2 ILE B 54 65.087 50.924 23.390 1.00 20.74 C ATOM 1361 CD1 ILE B 54 63.491 52.051 20.946 1.00 21.71 C ATOM 1362 H ILE B 54 65.961 48.463 20.967 1.00 0.00 H ATOM 1363 N LYS B 55 62.326 47.584 22.365 1.00 14.92 N ATOM 1364 CA LYS B 55 61.222 46.870 21.744 1.00 17.00 C ATOM 1365 C LYS B 55 60.265 47.874 21.121 1.00 13.84 C ATOM 1366 O LYS B 55 59.923 48.885 21.744 1.00 16.16 O ATOM 1367 CB LYS B 55 60.510 46.001 22.782 1.00 21.79 C ATOM 1368 CG LYS B 55 61.490 45.241 23.670 1.00 28.96 C ATOM 1369 CD LYS B 55 60.826 44.275 24.627 1.00 32.46 C ATOM 1370 CE LYS B 55 61.885 43.438 25.335 1.00 37.91 C ATOM 1371 NZ LYS B 55 61.426 42.923 26.649 1.00 42.05 N ATOM 1372 HZ1 LYS B 55 61.185 43.723 27.269 1.00 0.00 H ATOM 1373 HZ2 LYS B 55 60.587 42.325 26.511 1.00 0.00 H ATOM 1374 HZ3 LYS B 55 62.186 42.362 27.085 1.00 0.00 H ATOM 1375 H LYS B 55 62.224 47.904 23.349 1.00 0.00 H ATOM 1376 N VAL B 56 59.845 47.597 19.886 1.00 17.27 N ATOM 1377 CA VAL B 56 58.989 48.496 19.127 1.00 15.57 C ATOM 1378 C VAL B 56 57.900 47.688 18.434 1.00 17.86 C ATOM 1379 O VAL B 56 57.972 46.463 18.321 1.00 16.46 O ATOM 1380 CB VAL B 56 59.792 49.312 18.088 1.00 15.80 C ATOM 1381 CG1 VAL B 56 60.792 50.213 18.787 1.00 19.21 C ATOM 1382 CG2 VAL B 56 60.502 48.390 17.119 1.00 16.70 C ATOM 1383 H VAL B 56 60.141 46.702 19.447 1.00 0.00 H ATOM 1384 N ARG B 57 56.876 48.398 17.976 1.00 17.25 N ATOM 1385 CA ARG B 57 55.768 47.804 17.243 1.00 18.17 C ATOM 1386 C ARG B 57 55.851 48.287 15.803 1.00 17.75 C ATOM 1387 O ARG B 57 55.900 49.496 15.553 1.00 18.35 O ATOM 1388 CB ARG B 57 54.431 48.181 17.880 1.00 18.56 C ATOM 1389 CG ARG B 57 54.366 47.868 19.369 1.00 20.24 C ATOM 1390 CD ARG B 57 52.960 48.014 19.933 1.00 27.10 C ATOM 1391 NE ARG B 57 52.404 49.351 19.739 1.00 25.80 N ATOM 1392 CZ ARG B 57 52.678 50.402 20.507 1.00 26.97 C ATOM 1393 NH1 ARG B 57 52.115 51.574 20.247 1.00 27.01 N ATOM 1394 NH2 ARG B 57 53.518 50.292 21.528 1.00 34.45 N ATOM 1395 HE ARG B 57 51.748 49.491 18.944 1.00 0.00 H ATOM 1396 HH12 ARG B 57 52.328 52.397 20.846 1.00 0.00 H ATOM 1397 HH11 ARG B 57 51.461 51.670 19.444 1.00 0.00 H ATOM 1398 HH22 ARG B 57 53.725 51.120 22.122 1.00 0.00 H ATOM 1399 HH21 ARG B 57 53.969 49.378 21.734 1.00 0.00 H ATOM 1400 H ARG B 57 56.865 49.424 18.149 1.00 0.00 H ATOM 1401 N GLN B 58 55.893 47.346 14.864 1.00 19.12 N ATOM 1402 CA GLN B 58 56.068 47.668 13.455 1.00 19.15 C ATOM 1403 C GLN B 58 54.709 47.811 12.782 1.00 22.19 C ATOM 1404 O GLN B 58 53.946 46.840 12.694 1.00 18.31 O ATOM 1405 CB GLN B 58 56.897 46.595 12.752 1.00 17.88 C ATOM 1406 CG GLN B 58 57.076 46.830 11.257 1.00 22.08 C ATOM 1407 CD GLN B 58 57.782 45.680 10.569 1.00 29.51 C ATOM 1408 OE1 GLN B 58 58.601 44.990 11.174 1.00 27.22 O ATOM 1409 NE2 GLN B 58 57.464 45.465 9.296 1.00 26.14 N ATOM 1410 HE22 GLN B 58 56.765 46.074 8.824 1.00 0.00 H ATOM 1411 HE21 GLN B 58 57.914 44.688 8.772 1.00 0.00 H ATOM 1412 H GLN B 58 55.798 46.349 15.145 1.00 0.00 H ATOM 1413 N TYR B 59 54.420 49.017 12.302 1.00 15.42 N ATOM 1414 CA TYR B 59 53.235 49.303 11.505 1.00 22.50 C ATOM 1415 C TYR B 59 53.635 49.551 10.058 1.00 24.97 C ATOM 1416 O TYR B 59 54.601 50.273 9.787 1.00 24.77 O ATOM 1417 CB TYR B 59 52.496 50.528 12.036 1.00 19.48 C ATOM 1418 CG TYR B 59 51.899 50.351 13.405 1.00 18.45 C ATOM 1419 CD1 TYR B 59 52.641 50.604 14.547 1.00 17.80 C ATOM 1420 CD2 TYR B 59 50.580 49.945 13.554 1.00 26.21 C ATOM 1421 CE1 TYR B 59 52.090 50.450 15.803 1.00 22.42 C ATOM 1422 CE2 TYR B 59 50.022 49.789 14.800 1.00 23.07 C ATOM 1423 CZ TYR B 59 50.779 50.042 15.922 1.00 22.52 C ATOM 1424 OH TYR B 59 50.223 49.888 17.168 1.00 26.87 O ATOM 1425 HH TYR B 59 49.446 50.494 17.258 1.00 0.00 H ATOM 1426 H TYR B 59 55.075 49.798 12.507 1.00 0.00 H ATOM 1427 N ASP B 60 52.882 48.967 9.131 1.00 21.96 N ATOM 1428 CA ASP B 60 53.188 49.049 7.711 1.00 20.72 C ATOM 1429 C ASP B 60 52.193 49.960 7.001 1.00 19.63 C ATOM 1430 O ASP B 60 51.050 50.121 7.438 1.00 24.18 O ATOM 1431 CB ASP B 60 53.175 47.658 7.069 1.00 31.91 C ATOM 1432 CG ASP B 60 54.202 46.726 7.683 1.00 37.23 C ATOM 1433 OD1 ASP B 60 55.303 47.204 8.030 1.00 31.53 O ATOM 1434 OD2 ASP B 60 53.912 45.521 7.826 1.00 31.68 O ATOM 1435 H ASP B 60 52.043 48.432 9.432 1.00 0.00 H ATOM 1436 N GLN B 61 52.657 50.566 5.910 1.00 25.44 N ATOM 1437 CA GLN B 61 51.844 51.431 5.053 1.00 26.78 C ATOM 1438 C GLN B 61 51.128 52.513 5.862 1.00 28.66 C ATOM 1439 O GLN B 61 49.908 52.679 5.799 1.00 32.67 O ATOM 1440 CB GLN B 61 50.842 50.601 4.245 1.00 27.87 C ATOM 1441 CG GLN B 61 51.480 49.759 3.153 1.00 26.53 C ATOM 1442 CD GLN B 61 52.335 50.585 2.205 1.00 35.18 C ATOM 1443 OE1 GLN B 61 53.563 50.565 2.283 1.00 38.17 O ATOM 1444 NE2 GLN B 61 51.688 51.322 1.311 1.00 38.66 N ATOM 1445 HE22 GLN B 61 50.649 51.309 1.280 1.00 0.00 H ATOM 1446 HE21 GLN B 61 52.220 51.913 0.641 1.00 0.00 H ATOM 1447 H GLN B 61 53.653 50.416 5.652 1.00 0.00 H ATOM 1448 N ILE B 62 51.920 53.275 6.612 1.00 25.53 N ATOM 1449 CA ILE B 62 51.421 54.383 7.418 1.00 22.91 C ATOM 1450 C ILE B 62 51.652 55.677 6.651 1.00 28.30 C ATOM 1451 O ILE B 62 52.743 55.903 6.115 1.00 23.62 O ATOM 1452 CB ILE B 62 52.114 54.429 8.791 1.00 23.60 C ATOM 1453 CG1 ILE B 62 51.811 53.163 9.596 1.00 25.27 C ATOM 1454 CG2 ILE B 62 51.696 55.663 9.577 1.00 22.27 C ATOM 1455 CD1 ILE B 62 50.343 52.925 9.887 1.00 31.13 C ATOM 1456 H ILE B 62 52.940 53.071 6.624 1.00 0.00 H ATOM 1457 N LEU B 63 50.630 56.528 6.608 1.00 25.16 N ATOM 1458 CA LEU B 63 50.737 57.816 5.938 1.00 26.36 C ATOM 1459 C LEU B 63 51.457 58.805 6.844 1.00 23.34 C ATOM 1460 O LEU B 63 51.151 58.909 8.036 1.00 26.07 O ATOM 1461 CB LEU B 63 49.351 58.347 5.572 1.00 27.66 C ATOM 1462 H LEU B 63 49.733 56.267 7.064 1.00 0.00 H ATOM 1463 N ILE B 64 52.419 59.525 6.281 1.00 24.88 N ATOM 1464 CA ILE B 64 53.178 60.501 7.048 1.00 23.53 C ATOM 1465 C ILE B 64 53.560 61.643 6.124 1.00 29.24 C ATOM 1466 O ILE B 64 53.957 61.428 4.974 1.00 31.40 O ATOM 1467 CB ILE B 64 54.416 59.857 7.702 1.00 28.17 C ATOM 1468 CG1 ILE B 64 55.205 60.897 8.498 1.00 30.37 C ATOM 1469 CG2 ILE B 64 55.289 59.209 6.647 1.00 39.43 C ATOM 1470 CD1 ILE B 64 56.071 60.292 9.583 1.00 41.60 C ATOM 1471 H ILE B 64 52.634 59.389 5.273 1.00 0.00 H ATOM 1472 N GLU B 65 53.428 62.863 6.632 1.00 20.28 N ATOM 1473 CA GLU B 65 53.764 64.066 5.887 1.00 20.68 C ATOM 1474 C GLU B 65 54.930 64.740 6.591 1.00 25.73 C ATOM 1475 O GLU B 65 54.830 65.084 7.773 1.00 22.99 O ATOM 1476 CB GLU B 65 52.564 65.007 5.792 1.00 22.23 C ATOM 1477 CG GLU B 65 52.778 66.180 4.860 1.00 26.22 C ATOM 1478 CD GLU B 65 51.533 67.025 4.705 1.00 31.70 C ATOM 1479 OE1 GLU B 65 50.480 66.466 4.334 1.00 34.03 O ATOM 1480 OE2 GLU B 65 51.606 68.244 4.966 1.00 36.32 O ATOM 1481 H GLU B 65 53.069 62.962 7.603 1.00 0.00 H ATOM 1482 N ILE B 66 56.033 64.912 5.873 1.00 23.07 N ATOM 1483 CA ILE B 66 57.265 65.457 6.431 1.00 21.81 C ATOM 1484 C ILE B 66 57.473 66.829 5.802 1.00 29.48 C ATOM 1485 O ILE B 66 57.797 66.935 4.613 1.00 28.92 O ATOM 1486 CB ILE B 66 58.459 64.523 6.178 1.00 27.61 C ATOM 1487 CG1 ILE B 66 58.207 63.153 6.815 1.00 31.45 C ATOM 1488 CG2 ILE B 66 59.746 65.110 6.751 1.00 28.69 C ATOM 1489 CD1 ILE B 66 58.813 61.998 6.051 1.00 31.15 C ATOM 1490 H ILE B 66 56.018 64.646 4.868 1.00 0.00 H ATOM 1491 N CYS B 67 57.288 67.875 6.603 1.00 31.17 N ATOM 1492 CA CYS B 67 57.381 69.267 6.158 1.00 30.88 C ATOM 1493 C CYS B 67 56.753 69.447 4.776 1.00 35.57 C ATOM 1494 O CYS B 67 57.389 69.881 3.814 1.00 35.56 O ATOM 1495 CB CYS B 67 58.830 69.757 6.176 1.00 41.30 C ATOM 1496 SG CYS B 67 60.027 68.662 5.410 1.00 65.56 S ATOM 1497 H CYS B 67 57.065 67.694 7.602 1.00 0.00 H ATOM 1498 N GLY B 68 55.469 69.099 4.697 1.00 34.50 N ATOM 1499 CA GLY B 68 54.693 69.285 3.491 1.00 37.02 C ATOM 1500 C GLY B 68 54.818 68.190 2.456 1.00 33.19 C ATOM 1501 O GLY B 68 54.017 68.164 1.513 1.00 35.20 O ATOM 1502 H GLY B 68 55.010 68.680 5.531 1.00 0.00 H ATOM 1503 N HIS B 69 55.785 67.287 2.588 1.00 25.78 N ATOM 1504 CA HIS B 69 56.008 66.228 1.612 1.00 22.62 C ATOM 1505 C HIS B 69 55.376 64.936 2.113 1.00 28.92 C ATOM 1506 O HIS B 69 55.669 64.488 3.226 1.00 25.75 O ATOM 1507 CB HIS B 69 57.504 66.023 1.362 1.00 27.05 C ATOM 1508 CG HIS B 69 58.172 67.184 0.690 1.00 27.15 C ATOM 1509 ND1 HIS B 69 58.542 67.162 -0.638 1.00 30.16 N ATOM 1510 CD2 HIS B 69 58.539 68.399 1.162 1.00 30.84 C ATOM 1511 CE1 HIS B 69 59.107 68.314 -0.955 1.00 27.93 C ATOM 1512 NE2 HIS B 69 59.116 69.083 0.119 1.00 21.33 N ATOM 1513 H HIS B 69 56.407 67.338 3.420 1.00 0.00 H ATOM 1514 N LYS B 70 54.515 64.339 1.293 1.00 27.78 N ATOM 1515 CA LYS B 70 53.814 63.130 1.694 1.00 22.67 C ATOM 1516 C LYS B 70 54.668 61.897 1.434 1.00 17.98 C ATOM 1517 O LYS B 70 55.441 61.837 0.475 1.00 23.25 O ATOM 1518 CB LYS B 70 52.484 63.001 0.951 1.00 25.74 C ATOM 1519 CG LYS B 70 51.488 64.105 1.269 1.00 28.73 C ATOM 1520 CD LYS B 70 50.141 63.839 0.618 1.00 29.13 C ATOM 1521 CE LYS B 70 49.122 64.900 0.991 1.00 28.33 C ATOM 1522 NZ LYS B 70 49.504 66.244 0.481 1.00 43.31 N ATOM 1523 HZ1 LYS B 70 50.422 66.519 0.885 1.00 0.00 H ATOM 1524 HZ2 LYS B 70 49.576 66.212 -0.556 1.00 0.00 H ATOM 1525 HZ3 LYS B 70 48.780 66.937 0.759 1.00 0.00 H ATOM 1526 H LYS B 70 54.341 64.743 0.351 1.00 0.00 H ATOM 1527 N ALA B 71 54.518 60.906 2.309 1.00 25.37 N ATOM 1528 CA ALA B 71 55.176 59.622 2.140 1.00 25.18 C ATOM 1529 C ALA B 71 54.321 58.558 2.812 1.00 26.45 C ATOM 1530 O ALA B 71 53.383 58.861 3.554 1.00 27.62 O ATOM 1531 CB ALA B 71 56.598 59.637 2.714 1.00 27.83 C ATOM 1532 H ALA B 71 53.911 61.055 3.140 1.00 0.00 H ATOM 1533 N ILE B 72 54.648 57.300 2.532 1.00 23.61 N ATOM 1534 CA ILE B 72 53.937 56.169 3.122 1.00 23.29 C ATOM 1535 C ILE B 72 54.902 54.996 3.212 1.00 23.13 C ATOM 1536 O ILE B 72 55.612 54.685 2.252 1.00 24.17 O ATOM 1537 CB ILE B 72 52.672 55.799 2.319 1.00 28.60 C ATOM 1538 CG1 ILE B 72 52.111 54.453 2.789 1.00 24.52 C ATOM 1539 CG2 ILE B 72 52.968 55.771 0.827 1.00 26.72 C ATOM 1540 CD1 ILE B 72 50.673 54.218 2.377 1.00 34.12 C ATOM 1541 H ILE B 72 55.432 57.116 1.874 1.00 0.00 H ATOM 1542 N GLY B 73 54.938 54.358 4.373 1.00 27.42 N ATOM 1543 CA GLY B 73 55.863 53.265 4.582 1.00 27.80 C ATOM 1544 C GLY B 73 55.804 52.779 6.010 1.00 19.59 C ATOM 1545 O GLY B 73 54.884 53.111 6.758 1.00 18.45 O ATOM 1546 H GLY B 73 54.297 54.645 5.140 1.00 0.00 H ATOM 1547 N THR B 74 56.809 51.993 6.384 1.00 20.41 N ATOM 1548 CA THR B 74 56.844 51.374 7.701 1.00 19.36 C ATOM 1549 C THR B 74 57.266 52.381 8.763 1.00 16.97 C ATOM 1550 O THR B 74 58.188 53.175 8.558 1.00 19.54 O ATOM 1551 CB THR B 74 57.808 50.185 7.697 1.00 26.42 C ATOM 1552 OG1 THR B 74 57.332 49.190 6.787 1.00 23.93 O ATOM 1553 CG2 THR B 74 57.938 49.565 9.087 1.00 26.31 C ATOM 1554 HG1 THR B 74 56.434 48.887 7.072 1.00 0.00 H ATOM 1555 H THR B 74 57.589 51.816 5.719 1.00 0.00 H ATOM 1556 N VAL B 75 56.583 52.345 9.903 1.00 18.13 N ATOM 1557 CA VAL B 75 56.973 53.122 11.072 1.00 16.53 C ATOM 1558 C VAL B 75 57.059 52.185 12.268 1.00 18.46 C ATOM 1559 O VAL B 75 56.192 51.326 12.464 1.00 21.58 O ATOM 1560 CB VAL B 75 55.991 54.279 11.354 1.00 25.77 C ATOM 1561 CG1 VAL B 75 55.917 55.219 10.154 1.00 23.35 C ATOM 1562 CG2 VAL B 75 54.614 53.740 11.696 1.00 29.84 C ATOM 1563 H VAL B 75 55.739 51.740 9.962 1.00 0.00 H ATOM 1564 N LEU B 76 58.117 52.343 13.054 1.00 14.94 N ATOM 1565 CA LEU B 76 58.324 51.570 14.269 1.00 16.87 C ATOM 1566 C LEU B 76 57.966 52.449 15.458 1.00 23.28 C ATOM 1567 O LEU B 76 58.431 53.588 15.550 1.00 22.13 O ATOM 1568 CB LEU B 76 59.773 51.091 14.373 1.00 18.87 C ATOM 1569 CG LEU B 76 60.319 50.373 13.136 1.00 16.82 C ATOM 1570 CD1 LEU B 76 61.785 50.022 13.312 1.00 23.40 C ATOM 1571 CD2 LEU B 76 59.496 49.126 12.832 1.00 19.16 C ATOM 1572 H LEU B 76 58.831 53.052 12.789 1.00 0.00 H ATOM 1573 N VAL B 77 57.130 51.931 16.351 1.00 15.94 N ATOM 1574 CA VAL B 77 56.619 52.696 17.483 1.00 13.56 C ATOM 1575 C VAL B 77 57.112 52.056 18.772 1.00 16.91 C ATOM 1576 O VAL B 77 56.946 50.848 18.979 1.00 17.21 O ATOM 1577 CB VAL B 77 55.081 52.771 17.453 1.00 18.60 C ATOM 1578 CG1 VAL B 77 54.541 53.479 18.695 1.00 19.37 C ATOM 1579 CG2 VAL B 77 54.628 53.486 16.187 1.00 18.92 C ATOM 1580 H VAL B 77 56.828 50.942 16.239 1.00 0.00 H ATOM 1581 N GLY B 78 57.707 52.867 19.639 1.00 16.21 N ATOM 1582 CA GLY B 78 58.208 52.388 20.904 1.00 17.46 C ATOM 1583 C GLY B 78 58.863 53.478 21.727 1.00 21.86 C ATOM 1584 O GLY B 78 58.793 54.668 21.401 1.00 21.25 O ATOM 1585 H GLY B 78 57.815 53.873 19.400 1.00 0.00 H ATOM 1586 N PRO B 79 59.520 53.081 22.820 1.00 16.03 N ATOM 1587 CA PRO B 79 60.077 54.048 23.782 1.00 16.70 C ATOM 1588 C PRO B 79 61.383 54.674 23.302 1.00 21.06 C ATOM 1589 O PRO B 79 62.424 54.592 23.958 1.00 20.04 O ATOM 1590 CB PRO B 79 60.262 53.184 25.036 1.00 17.53 C ATOM 1591 CG PRO B 79 60.547 51.832 24.510 1.00 18.78 C ATOM 1592 CD PRO B 79 59.709 51.689 23.271 1.00 20.16 C ATOM 1593 N THR B 80 61.327 55.313 22.140 1.00 18.60 N ATOM 1594 CA THR B 80 62.492 56.033 21.651 1.00 19.60 C ATOM 1595 C THR B 80 62.535 57.424 22.282 1.00 17.38 C ATOM 1596 O THR B 80 61.486 58.036 22.508 1.00 17.50 O ATOM 1597 CB THR B 80 62.465 56.144 20.122 1.00 17.93 C ATOM 1598 OG1 THR B 80 63.599 56.894 19.670 1.00 16.92 O ATOM 1599 CG2 THR B 80 61.182 56.828 19.628 1.00 16.12 C ATOM 1600 HG1 THR B 80 63.572 57.801 20.065 1.00 0.00 H ATOM 1601 H THR B 80 60.451 55.299 21.580 1.00 0.00 H ATOM 1602 N PRO B 81 63.726 57.942 22.589 1.00 19.07 N ATOM 1603 CA PRO B 81 63.803 59.293 23.168 1.00 23.87 C ATOM 1604 C PRO B 81 63.536 60.405 22.172 1.00 24.78 C ATOM 1605 O PRO B 81 63.237 61.529 22.595 1.00 23.75 O ATOM 1606 CB PRO B 81 65.234 59.373 23.719 1.00 25.98 C ATOM 1607 CG PRO B 81 65.975 58.199 23.168 1.00 23.22 C ATOM 1608 CD PRO B 81 65.054 57.346 22.363 1.00 19.27 C ATOM 1609 N VAL B 82 63.632 60.135 20.872 1.00 20.59 N ATOM 1610 CA VAL B 82 63.396 61.135 19.840 1.00 17.08 C ATOM 1611 C VAL B 82 62.699 60.460 18.668 1.00 17.80 C ATOM 1612 O VAL B 82 62.909 59.274 18.395 1.00 20.27 O ATOM 1613 CB VAL B 82 64.717 61.805 19.382 1.00 22.66 C ATOM 1614 CG1 VAL B 82 64.458 62.878 18.329 1.00 26.97 C ATOM 1615 CG2 VAL B 82 65.449 62.407 20.569 1.00 26.81 C ATOM 1616 H VAL B 82 63.886 59.169 20.581 1.00 0.00 H ATOM 1617 N ASN B 83 61.846 61.219 17.987 1.00 17.97 N ATOM 1618 CA ASN B 83 61.244 60.738 16.751 1.00 15.98 C ATOM 1619 C ASN B 83 62.281 60.791 15.635 1.00 16.39 C ATOM 1620 O ASN B 83 62.950 61.812 15.446 1.00 17.52 O ATOM 1621 CB ASN B 83 60.023 61.578 16.384 1.00 19.77 C ATOM 1622 CG ASN B 83 58.890 61.442 17.388 1.00 22.85 C ATOM 1623 OD1 ASN B 83 58.487 60.335 17.744 1.00 26.82 O ATOM 1624 ND2 ASN B 83 58.370 62.572 17.845 1.00 22.58 N ATOM 1625 HD22 ASN B 83 58.742 63.486 17.516 1.00 0.00 H ATOM 1626 HD21 ASN B 83 57.590 62.545 18.532 1.00 0.00 H ATOM 1627 H ASN B 83 61.606 62.167 18.341 1.00 0.00 H ATOM 1628 N ILE B 84 62.407 59.694 14.893 1.00 13.83 N ATOM 1629 CA ILE B 84 63.487 59.493 13.928 1.00 11.92 C ATOM 1630 C ILE B 84 62.863 59.186 12.573 1.00 14.37 C ATOM 1631 O ILE B 84 62.197 58.158 12.415 1.00 15.30 O ATOM 1632 CB ILE B 84 64.424 58.358 14.361 1.00 13.85 C ATOM 1633 CG1 ILE B 84 65.175 58.763 15.630 1.00 17.67 C ATOM 1634 CG2 ILE B 84 65.404 57.975 13.239 1.00 15.81 C ATOM 1635 CD1 ILE B 84 65.805 57.617 16.354 1.00 17.73 C ATOM 1636 H ILE B 84 61.700 58.940 15.005 1.00 0.00 H ATOM 1637 N ILE B 85 63.081 60.068 11.600 1.00 13.18 N ATOM 1638 CA ILE B 85 62.681 59.811 10.220 1.00 13.43 C ATOM 1639 C ILE B 85 63.863 59.158 9.516 1.00 13.34 C ATOM 1640 O ILE B 85 64.915 59.781 9.333 1.00 14.95 O ATOM 1641 CB ILE B 85 62.246 61.091 9.498 1.00 13.27 C ATOM 1642 CG1 ILE B 85 61.124 61.797 10.264 1.00 18.60 C ATOM 1643 CG2 ILE B 85 61.804 60.763 8.076 1.00 14.25 C ATOM 1644 CD1 ILE B 85 59.896 60.933 10.536 1.00 21.91 C ATOM 1645 H ILE B 85 63.550 60.967 11.830 1.00 0.00 H ATOM 1646 N GLY B 86 63.686 57.899 9.116 1.00 15.29 N ATOM 1647 CA GLY B 86 64.753 57.127 8.520 1.00 12.00 C ATOM 1648 C GLY B 86 64.727 57.145 7.005 1.00 11.80 C ATOM 1649 O GLY B 86 63.869 57.751 6.365 1.00 14.27 O ATOM 1650 H GLY B 86 62.752 57.459 9.236 1.00 0.00 H ATOM 1651 N ARG B 87 65.696 56.431 6.429 1.00 14.81 N ATOM 1652 CA ARG B 87 65.899 56.469 4.985 1.00 13.06 C ATOM 1653 C ARG B 87 64.699 55.921 4.226 1.00 15.23 C ATOM 1654 O ARG B 87 64.454 56.328 3.084 1.00 16.44 O ATOM 1655 CB ARG B 87 67.163 55.695 4.616 1.00 16.10 C ATOM 1656 CG ARG B 87 68.442 56.372 5.078 1.00 13.62 C ATOM 1657 CD ARG B 87 69.686 55.713 4.496 1.00 15.95 C ATOM 1658 NE ARG B 87 69.858 54.337 4.949 1.00 16.51 N ATOM 1659 CZ ARG B 87 69.513 53.251 4.258 1.00 18.70 C ATOM 1660 NH1 ARG B 87 68.963 53.344 3.054 1.00 17.03 N ATOM 1661 NH2 ARG B 87 69.721 52.053 4.785 1.00 18.80 N ATOM 1662 HE ARG B 87 70.284 54.192 5.887 1.00 0.00 H ATOM 1663 HH12 ARG B 87 68.702 52.482 2.534 1.00 0.00 H ATOM 1664 HH11 ARG B 87 68.793 54.279 2.631 1.00 0.00 H ATOM 1665 HH22 ARG B 87 69.456 51.199 4.255 1.00 0.00 H ATOM 1666 HH21 ARG B 87 70.150 51.967 5.729 1.00 0.00 H ATOM 1667 H ARG B 87 66.316 55.839 7.018 1.00 0.00 H ATOM 1668 N ASN B 88 63.934 55.010 4.834 1.00 13.95 N ATOM 1669 CA ASN B 88 62.776 54.454 4.138 1.00 17.88 C ATOM 1670 C ASN B 88 61.795 55.543 3.728 1.00 20.16 C ATOM 1671 O ASN B 88 61.085 55.394 2.728 1.00 17.73 O ATOM 1672 CB ASN B 88 62.075 53.403 5.006 1.00 19.66 C ATOM 1673 CG ASN B 88 61.385 53.995 6.220 1.00 19.29 C ATOM 1674 OD1 ASN B 88 61.979 54.760 6.984 1.00 17.03 O ATOM 1675 ND2 ASN B 88 60.116 53.633 6.411 1.00 20.58 N ATOM 1676 HD22 ASN B 88 59.654 52.985 5.741 1.00 0.00 H ATOM 1677 HD21 ASN B 88 59.589 53.998 7.230 1.00 0.00 H ATOM 1678 H ASN B 88 64.162 54.698 5.799 1.00 0.00 H ATOM 1679 N LEU B 89 61.743 56.643 4.478 1.00 16.36 N ATOM 1680 CA LEU B 89 60.891 57.772 4.139 1.00 15.75 C ATOM 1681 C LEU B 89 61.653 58.954 3.562 1.00 19.15 C ATOM 1682 O LEU B 89 61.091 59.693 2.750 1.00 18.43 O ATOM 1683 CB LEU B 89 60.115 58.240 5.376 1.00 14.84 C ATOM 1684 CG LEU B 89 59.254 57.174 6.058 1.00 20.18 C ATOM 1685 CD1 LEU B 89 58.635 57.738 7.311 1.00 19.08 C ATOM 1686 CD2 LEU B 89 58.177 56.652 5.122 1.00 14.37 C ATOM 1687 H LEU B 89 62.331 56.696 5.334 1.00 0.00 H ATOM 1688 N LEU B 90 62.915 59.151 3.954 1.00 15.97 N ATOM 1689 CA LEU B 90 63.685 60.265 3.410 1.00 13.02 C ATOM 1690 C LEU B 90 63.818 60.156 1.898 1.00 15.90 C ATOM 1691 O LEU B 90 63.831 61.173 1.197 1.00 22.58 O ATOM 1692 CB LEU B 90 65.068 60.325 4.054 1.00 14.53 C ATOM 1693 CG LEU B 90 65.142 60.651 5.547 1.00 11.53 C ATOM 1694 CD1 LEU B 90 66.582 60.555 6.014 1.00 12.73 C ATOM 1695 CD2 LEU B 90 64.583 62.022 5.857 1.00 15.28 C ATOM 1696 H LEU B 90 63.349 58.509 4.648 1.00 0.00 H ATOM 1697 N THR B 91 63.939 58.933 1.376 1.00 14.22 N ATOM 1698 CA THR B 91 63.994 58.761 -0.073 1.00 18.63 C ATOM 1699 C THR B 91 62.707 59.239 -0.728 1.00 23.53 C ATOM 1700 O THR B 91 62.736 59.822 -1.819 1.00 26.48 O ATOM 1701 CB THR B 91 64.248 57.295 -0.437 1.00 20.03 C ATOM 1702 OG1 THR B 91 63.285 56.457 0.215 1.00 21.83 O ATOM 1703 CG2 THR B 91 65.653 56.864 -0.043 1.00 20.78 C ATOM 1704 HG1 THR B 91 63.362 56.569 1.196 1.00 0.00 H ATOM 1705 H THR B 91 63.994 58.104 2.001 1.00 0.00 H ATOM 1706 N GLN B 92 61.565 58.991 -0.082 1.00 22.76 N ATOM 1707 CA GLN B 92 60.278 59.320 -0.679 1.00 22.26 C ATOM 1708 C GLN B 92 60.050 60.822 -0.776 1.00 24.40 C ATOM 1709 O GLN B 92 59.285 61.264 -1.639 1.00 25.56 O ATOM 1710 CB GLN B 92 59.153 58.670 0.123 1.00 24.70 C ATOM 1711 CG GLN B 92 59.255 57.158 0.184 1.00 22.54 C ATOM 1712 CD GLN B 92 58.049 56.525 0.837 1.00 22.96 C ATOM 1713 OE1 GLN B 92 56.933 57.035 0.735 1.00 27.88 O ATOM 1714 NE2 GLN B 92 58.268 55.410 1.522 1.00 30.24 N ATOM 1715 HE22 GLN B 92 59.229 55.016 1.580 1.00 0.00 H ATOM 1716 HE21 GLN B 92 57.479 54.930 2.000 1.00 0.00 H ATOM 1717 H GLN B 92 61.595 58.556 0.862 1.00 0.00 H ATOM 1718 N ILE B 93 60.676 61.617 0.095 1.00 24.12 N ATOM 1719 CA ILE B 93 60.583 63.070 0.007 1.00 18.41 C ATOM 1720 C ILE B 93 61.733 63.690 -0.782 1.00 19.92 C ATOM 1721 O ILE B 93 61.813 64.920 -0.868 1.00 28.76 O ATOM 1722 CB ILE B 93 60.486 63.699 1.414 1.00 21.89 C ATOM 1723 CG1 ILE B 93 61.782 63.484 2.207 1.00 20.28 C ATOM 1724 CG2 ILE B 93 59.289 63.106 2.158 1.00 19.67 C ATOM 1725 CD1 ILE B 93 61.823 64.220 3.534 1.00 26.54 C ATOM 1726 H ILE B 93 61.244 61.190 0.855 1.00 0.00 H ATOM 1727 N GLY B 94 62.609 62.881 -1.373 1.00 25.22 N ATOM 1728 CA GLY B 94 63.664 63.400 -2.224 1.00 23.20 C ATOM 1729 C GLY B 94 64.835 64.000 -1.483 1.00 26.64 C ATOM 1730 O GLY B 94 65.478 64.919 -1.998 1.00 20.68 O ATOM 1731 H GLY B 94 62.536 61.855 -1.222 1.00 0.00 H ATOM 1732 N CYS B 95 65.152 63.483 -0.300 1.00 21.32 N ATOM 1733 CA CYS B 95 66.192 64.051 0.546 1.00 19.71 C ATOM 1734 C CYS B 95 67.550 63.456 0.203 1.00 19.56 C ATOM 1735 O CYS B 95 67.688 62.242 0.025 1.00 22.71 O ATOM 1736 CB CYS B 95 65.868 63.811 2.022 1.00 24.44 C ATOM 1737 SG CYS B 95 67.002 64.623 3.177 1.00 22.06 S ATOM 1738 H CYS B 95 64.638 62.642 0.033 1.00 0.00 H ATOM 1739 N THR B 96 68.552 64.329 0.109 1.00 17.33 N ATOM 1740 CA THR B 96 69.919 63.936 -0.189 1.00 15.02 C ATOM 1741 C THR B 96 70.873 64.625 0.778 1.00 12.73 C ATOM 1742 O THR B 96 70.543 65.643 1.390 1.00 16.65 O ATOM 1743 CB THR B 96 70.309 64.291 -1.634 1.00 21.07 C ATOM 1744 OG1 THR B 96 70.090 65.688 -1.865 1.00 23.25 O ATOM 1745 CG2 THR B 96 69.489 63.482 -2.628 1.00 24.20 C ATOM 1746 HG1 THR B 96 69.133 65.899 -1.722 1.00 0.00 H ATOM 1747 H THR B 96 68.346 65.338 0.256 1.00 0.00 H ATOM 1748 N LEU B 97 72.058 64.039 0.919 1.00 16.67 N ATOM 1749 CA LEU B 97 73.190 64.701 1.551 1.00 16.89 C ATOM 1750 C LEU B 97 74.057 65.342 0.479 1.00 19.73 C ATOM 1751 O LEU B 97 74.212 64.795 -0.618 1.00 22.44 O ATOM 1752 CB LEU B 97 74.033 63.712 2.356 1.00 20.59 C ATOM 1753 CG LEU B 97 73.435 63.139 3.635 1.00 18.55 C ATOM 1754 CD1 LEU B 97 74.279 61.968 4.106 1.00 21.14 C ATOM 1755 CD2 LEU B 97 73.351 64.202 4.715 1.00 24.73 C ATOM 1756 H LEU B 97 72.181 63.069 0.564 1.00 0.00 H ATOM 1757 N ASN B 98 74.639 66.493 0.803 1.00 16.73 N ATOM 1758 CA ASN B 98 75.431 67.227 -0.174 1.00 20.48 C ATOM 1759 C ASN B 98 76.591 67.923 0.519 1.00 19.03 C ATOM 1760 O ASN B 98 76.396 68.587 1.541 1.00 20.90 O ATOM 1761 CB ASN B 98 74.570 68.256 -0.912 1.00 21.04 C ATOM 1762 CG ASN B 98 73.392 67.627 -1.626 1.00 26.40 C ATOM 1763 OD1 ASN B 98 72.367 67.329 -1.013 1.00 25.30 O ATOM 1764 ND2 ASN B 98 73.529 67.427 -2.931 1.00 22.59 N ATOM 1765 HD22 ASN B 98 74.414 67.694 -3.408 1.00 0.00 H ATOM 1766 HD21 ASN B 98 72.752 67.003 -3.477 1.00 0.00 H ATOM 1767 H ASN B 98 74.527 66.873 1.765 1.00 0.00 H ATOM 1768 N PHE B 99 77.786 67.772 -0.045 1.00 21.75 N ATOM 1769 CA PHE B 99 78.959 68.518 0.400 1.00 23.28 C ATOM 1770 C PHE B 99 79.997 68.552 -0.712 1.00 30.80 C ATOM 1771 O PHE B 99 80.999 69.265 -0.630 1.00 25.26 O ATOM 1772 CB PHE B 99 79.564 67.914 1.675 1.00 24.61 C ATOM 1773 CG PHE B 99 79.957 66.469 1.551 1.00 23.06 C ATOM 1774 CD1 PHE B 99 79.021 65.467 1.738 1.00 26.97 C ATOM 1775 CD2 PHE B 99 81.269 66.111 1.281 1.00 23.61 C ATOM 1776 CE1 PHE B 99 79.381 64.136 1.637 1.00 22.86 C ATOM 1777 CE2 PHE B 99 81.633 64.783 1.180 1.00 28.41 C ATOM 1778 CZ PHE B 99 80.688 63.795 1.358 1.00 28.85 C ATOM 1779 OXT PHE B 99 79.850 67.867 -1.723 1.00 25.01 O ATOM 1780 H PHE B 99 77.888 67.099 -0.831 1.00 0.00 H TER 1781 PHE B 99 HETATM 1782 O HOH 1 56.799 63.011 -1.173 1.00 26.27 O HETATM 1783 O HOH 2 63.495 53.292 25.777 1.00 23.57 O HETATM 1784 O HOH 3 61.429 71.156 16.678 1.00 32.33 O HETATM 1785 O HOH 4 50.420 52.100 24.154 1.00 37.79 O HETATM 1786 O HOH 5 60.379 52.187 9.319 1.00 23.10 O HETATM 1787 O HOH 6 81.932 70.790 1.176 1.00 30.55 O HETATM 1788 O HOH 7 58.106 65.039 -2.049 1.00 30.94 O HETATM 1789 O HOH 8 66.853 71.713 15.968 1.00 23.60 O HETATM 1790 O HOH 9 47.331 49.105 17.093 1.00 36.02 O HETATM 1791 O HOH 10 71.458 48.638 14.665 1.00 33.01 O HETATM 1792 O HOH 11 48.911 58.757 9.336 1.00 28.61 O HETATM 1793 O HOH 12 67.860 66.382 -3.008 1.00 27.59 O HETATM 1794 O HOH 13 64.651 65.570 -4.402 1.00 20.40 O HETATM 1795 O HOH 14 50.949 65.560 18.698 1.00 35.61 O HETATM 1796 O HOH 15 69.558 71.280 11.428 1.00 18.93 O HETATM 1797 O HOH 16 57.557 48.679 22.935 1.00 27.13 O HETATM 1798 O HOH 17 67.360 47.921 8.438 1.00 37.02 O HETATM 1799 O HOH 18 67.508 72.738 11.627 1.00 24.41 O HETATM 1800 O HOH 19 71.855 74.498 11.493 1.00 20.47 O HETATM 1801 O HOH 20 54.964 49.789 4.740 1.00 27.63 O HETATM 1802 O HOH 21 69.763 75.334 8.102 1.00 27.54 O HETATM 1803 O HOH 22 65.095 60.531 -2.977 1.00 29.59 O HETATM 1804 O HOH 23 71.566 54.634 7.051 1.00 14.27 O HETATM 1805 O HOH 24 67.703 49.217 26.232 1.00 29.65 O HETATM 1806 O HOH 25 67.440 59.941 -1.421 1.00 17.37 O HETATM 1807 O HOH 26 67.445 44.634 15.069 1.00 33.39 O HETATM 1808 O HOH 27 59.628 71.767 0.474 1.00 31.80 O HETATM 1809 O HOH 28 71.845 52.781 9.152 1.00 18.90 O HETATM 1810 O HOH 29 73.691 72.456 -1.783 1.00 43.26 O HETATM 1811 O HOH 30 46.417 66.937 15.826 1.00 28.96 O HETATM 1812 O HOH 31 60.736 45.195 28.098 1.00 28.67 O HETATM 1813 O HOH 32 61.469 63.926 18.505 1.00 26.18 O HETATM 1814 O HOH 33 57.891 39.635 14.801 1.00 30.25 O HETATM 1815 O HOH 34 67.112 51.284 2.564 1.00 28.96 O HETATM 1816 O HOH 35 58.954 71.622 9.914 1.00 24.98 O HETATM 1817 O HOH 36 44.432 61.348 15.888 1.00 27.60 O HETATM 1818 O HOH 37 50.011 62.270 7.424 1.00 28.88 O HETATM 1819 O HOH 38 54.872 69.827 16.244 1.00 29.77 O HETATM 1820 O HOH 39 64.991 48.508 6.216 1.00 38.07 O HETATM 1821 O HOH 40 69.355 51.760 11.078 1.00 22.92 O HETATM 1822 O HOH 41 77.230 72.776 16.054 1.00 29.38 O HETATM 1823 O HOH 42 76.066 50.100 22.645 1.00 20.60 O HETATM 1824 O HOH 43 65.467 71.569 10.550 1.00 27.66 O HETATM 1825 O HOH 44 58.819 57.435 23.402 1.00 28.40 O HETATM 1826 O HOH 45 65.736 51.635 4.419 1.00 25.26 O HETATM 1827 O HOH 46 54.916 73.043 13.516 1.00 36.57 O HETATM 1828 O HOH 47 62.366 48.205 25.201 1.00 20.97 O HETATM 1829 O HOH 48 48.597 67.320 16.747 1.00 30.75 O HETATM 1830 O HOH 49 58.908 51.550 4.369 1.00 23.57 O HETATM 1831 O HOH 50 69.977 70.991 18.377 1.00 22.17 O HETATM 1832 O HOH 51 45.026 46.142 10.577 1.00 32.00 O HETATM 1833 O HOH 52 52.536 48.550 23.754 1.00 38.75 O HETATM 1834 O HOH 53 57.111 65.888 19.099 1.00 28.29 O HETATM 1835 O HOH 54 70.018 49.448 3.329 1.00 38.33 O HETATM 1836 O HOH 55 65.780 66.497 19.938 1.00 26.90 O HETATM 1837 O HOH 56 48.727 43.158 15.935 1.00 25.58 O HETATM 1838 O HOH 57 46.497 52.183 10.554 1.00 36.55 O HETATM 1839 O HOH 58 50.876 46.746 9.917 1.00 31.42 O HETATM 1840 O HOH 59 56.164 54.205 -0.705 1.00 31.60 O HETATM 1841 O HOH 60 47.400 51.437 7.003 1.00 38.53 O HETATM 1842 O HOH 61 75.877 68.724 -4.432 1.00 37.23 O HETATM 1843 O HOH 62 69.317 45.936 25.371 1.00 34.49 O HETATM 1844 O HOH 63 68.650 46.929 14.713 1.00 21.64 O HETATM 1845 O HOH 64 47.211 61.569 9.115 1.00 36.42 O HETATM 1846 O HOH 65 74.060 73.528 18.534 1.00 41.36 O HETATM 1847 O HOH 66 53.961 68.935 18.274 1.00 41.33 O HETATM 1848 O HOH 67 60.574 60.163 -4.369 1.00 33.92 O HETATM 1849 O HOH 68 44.113 45.804 15.563 1.00 41.57 O HETATM 1850 O HOH 69 59.106 72.675 2.823 1.00 47.71 O HETATM 1851 O HOH 70 61.236 47.661 8.889 1.00 38.38 O HETATM 1852 O HOH 71 58.354 51.849 2.338 1.00 37.59 O HETATM 1853 O HOH 72 60.874 49.917 5.134 1.00 32.12 O HETATM 1854 O HOH 73 49.998 62.047 4.934 1.00 39.81 O HETATM 1855 O HOH 74 53.696 68.771 8.146 1.00 38.24 O HETATM 1856 O HOH 75 68.793 75.178 10.555 1.00 34.19 O HETATM 1857 O HOH 76 76.738 77.417 6.497 1.00 30.30 O HETATM 1858 O HOH 77 71.621 46.354 15.177 1.00 37.40 O HETATM 1859 O HOH 78 68.042 48.903 3.053 1.00 52.98 O HETATM 1860 O HOH 79 68.672 70.003 19.943 1.00 43.61 O HETATM 1861 O HOH 80 70.909 49.817 11.942 1.00 31.82 O HETATM 1862 O HOH 81 66.518 68.609 20.593 1.00 29.14 O HETATM 1863 O HOH 82 69.126 66.223 24.626 1.00 42.24 O HETATM 1864 O HOH 83 42.881 45.657 13.754 1.00 38.58 O HETATM 1865 O HOH 84 76.568 71.414 -1.481 1.00 34.91 O HETATM 1866 O HOH 85 68.070 71.514 18.807 1.00 34.21 O HETATM 1867 O HOH 86 60.171 54.334 -2.129 1.00 40.99 O HETATM 1868 O HOH 87 61.363 73.102 9.356 1.00 37.87 O HETATM 1869 O HOH 88 72.191 72.765 19.351 1.00 55.55 O HETATM 1870 O HOH 89 73.486 47.524 14.261 1.00 40.28 O HETATM 1871 O HOH 90 63.239 65.859 19.667 1.00 22.13 O HETATM 1872 O HOH 91 81.112 65.787 19.736 1.00 30.19 O HETATM 1873 O HOH 92 83.543 51.826 26.986 1.00 34.75 O HETATM 1874 O HOH 93 61.705 66.941 -2.665 1.00 29.88 O HETATM 1875 O HOH 94 85.224 49.083 13.234 1.00 37.51 O HETATM 1876 O HOH 95 73.582 56.637 0.358 1.00 20.22 O HETATM 1877 O HOH 96 84.610 63.439 -2.051 1.00 39.16 O HETATM 1878 O HOH 97 78.116 54.340 0.393 1.00 34.31 O HETATM 1879 O HOH 98 94.076 61.253 12.859 1.00 23.46 O HETATM 1880 O HOH 99 77.830 67.489 20.913 1.00 33.74 O HETATM 1881 O HOH 100 75.941 71.792 7.788 1.00 19.27 O HETATM 1882 O HOH 101 70.058 68.605 -5.469 1.00 33.01 O HETATM 1883 O HOH 102 71.670 54.971 19.005 1.00 15.80 O HETATM 1884 O HOH 103 86.859 70.424 5.231 1.00 31.82 O HETATM 1885 O HOH 104 75.799 51.805 1.174 1.00 29.27 O HETATM 1886 O HOH 105 83.045 70.707 15.108 1.00 25.84 O HETATM 1887 O HOH 106 79.960 46.661 13.906 1.00 27.56 O HETATM 1888 O HOH 107 77.348 68.341 17.424 1.00 23.50 O HETATM 1889 O HOH 108 89.419 71.589 15.514 1.00 23.67 O HETATM 1890 O HOH 109 76.113 71.419 1.289 1.00 24.70 O HETATM 1891 O HOH 110 68.763 72.516 -1.703 1.00 26.89 O HETATM 1892 O HOH 111 86.307 50.357 11.939 1.00 36.87 O HETATM 1893 O HOH 112 94.884 63.869 14.904 1.00 25.40 O HETATM 1894 O HOH 113 81.420 47.857 18.291 1.00 19.73 O HETATM 1895 O HOH 114 71.479 55.532 -2.749 1.00 20.69 O HETATM 1896 O HOH 115 86.408 52.889 24.371 1.00 33.03 O HETATM 1897 O HOH 116 71.222 65.493 15.096 1.00 13.98 O HETATM 1898 O HOH 117 87.967 68.712 19.303 1.00 20.85 O HETATM 1899 O HOH 118 93.127 61.796 8.675 1.00 26.86 O HETATM 1900 O HOH 119 66.026 53.654 25.568 1.00 24.70 O HETATM 1901 O HOH 120 73.661 51.221 29.633 1.00 22.88 O HETATM 1902 O HOH 121 92.088 64.283 23.610 1.00 27.53 O HETATM 1903 O HOH 122 70.518 57.161 -6.546 1.00 25.90 O HETATM 1904 O HOH 123 70.664 64.109 17.431 1.00 15.65 O HETATM 1905 O HOH 124 76.326 46.603 13.996 1.00 29.17 O HETATM 1906 O HOH 125 89.439 48.930 11.144 1.00 35.57 O HETATM 1907 O HOH 126 92.074 66.701 8.840 1.00 32.85 O HETATM 1908 O HOH 127 86.560 52.013 14.467 1.00 25.92 O HETATM 1909 O HOH 128 81.404 50.170 11.745 1.00 20.06 O HETATM 1910 O HOH 129 80.100 62.158 30.386 1.00 31.44 O HETATM 1911 O HOH 130 82.299 63.413 18.675 1.00 15.97 O HETATM 1912 O HOH 131 74.178 58.637 -4.198 1.00 25.47 O HETATM 1913 O HOH 132 83.956 48.400 19.624 1.00 19.87 O HETATM 1914 O HOH 133 84.202 68.365 17.272 1.00 18.76 O HETATM 1915 O HOH 134 78.662 67.576 -4.987 1.00 38.47 O HETATM 1916 O HOH 135 76.683 59.521 -4.804 1.00 30.75 O HETATM 1917 O HOH 136 69.402 58.675 24.991 1.00 30.71 O HETATM 1918 O HOH 137 79.487 51.103 28.412 1.00 22.77 O HETATM 1919 O HOH 138 82.213 65.703 -5.263 1.00 42.27 O HETATM 1920 O HOH 139 80.307 50.123 8.079 1.00 37.23 O HETATM 1921 O HOH 140 79.544 72.287 0.923 1.00 37.22 O HETATM 1922 O HOH 141 79.740 71.922 14.746 1.00 26.80 O HETATM 1923 O HOH 142 71.449 61.210 24.353 1.00 42.59 O HETATM 1924 O HOH 143 82.247 74.205 6.760 1.00 29.68 O HETATM 1925 O HOH 144 74.622 70.708 18.187 1.00 35.32 O HETATM 1926 O HOH 145 73.797 61.699 23.849 1.00 36.18 O HETATM 1927 O HOH 146 95.589 54.849 27.117 1.00 36.71 O HETATM 1928 O HOH 147 81.216 50.830 9.674 1.00 35.90 O HETATM 1929 O HOH 148 83.981 56.570 30.074 1.00 33.46 O HETATM 1930 O HOH 149 79.192 52.216 9.587 1.00 25.11 O HETATM 1931 O HOH 150 93.659 49.132 16.422 1.00 33.45 O HETATM 1932 O HOH 151 72.666 49.787 2.249 1.00 27.50 O HETATM 1933 O HOH 152 85.841 49.721 8.733 1.00 28.02 O HETATM 1934 O HOH 153 94.979 61.097 10.704 1.00 39.12 O HETATM 1935 O HOH 154 74.551 61.899 25.727 1.00 35.45 O HETATM 1936 O HOH 155 99.927 57.751 22.246 1.00 36.15 O HETATM 1937 O HOH 156 83.831 57.051 0.096 1.00 24.83 O HETATM 1938 O HOH 157 82.968 49.770 9.669 1.00 31.03 O HETATM 1939 O HOH 158 73.978 63.748 22.879 1.00 32.15 O HETATM 1940 O HOH 159 74.141 51.058 9.808 1.00 23.18 O HETATM 1941 O HOH 160 82.980 53.275 1.093 1.00 34.58 O HETATM 1942 O HOH 161 73.179 45.411 9.953 1.00 33.24 O HETATM 1943 O HOH 162 101.136 59.471 22.296 1.00 45.35 O HETATM 1944 O HOH 163 83.351 72.810 3.277 1.00 34.88 O HETATM 1945 O HOH 164 73.785 48.986 11.345 1.00 35.22 O HETATM 1946 O HOH 165 84.694 68.386 27.211 1.00 39.71 O HETATM 1947 O HOH 166 85.373 51.875 25.916 1.00 41.94 O HETATM 1948 O HOH 167 63.835 69.886 -5.270 1.00 38.08 O HETATM 1949 O HOH 168 79.709 47.801 11.396 1.00 31.25 O HETATM 1950 O HOH 169 76.977 63.984 25.657 1.00 41.29 O HETATM 1951 O HOH 170 97.310 51.394 8.676 1.00 36.77 O HETATM 1952 O HOH 171 81.637 65.405 22.987 1.00 36.70 O HETATM 1953 O HOH 172 78.955 75.100 6.590 1.00 42.12 O HETATM 1954 O HOH 173 83.859 66.258 -4.186 1.00 42.56 O HETATM 1955 O HOH 174 75.943 68.981 19.903 1.00 33.61 O HETATM 1956 O HOH 175 79.169 70.281 16.816 1.00 37.85 O HETATM 1957 O HOH 176 71.608 70.804 19.739 1.00 44.87 O HETATM 1958 O HOH 177 74.450 49.012 2.028 1.00 39.54 O HETATM 1959 O HOH 178 76.815 50.943 8.992 1.00 36.45 O HETATM 1960 O HOH 179 71.170 53.733 -4.656 1.00 30.80 O HETATM 1961 O HOH 180 67.663 68.598 -4.319 1.00 23.33 O HETATM 1962 O HOH 181 87.581 52.331 27.845 1.00 41.27 O HETATM 1963 O HOH 182 66.783 47.388 1.841 1.00 47.84 O HETATM 1964 C13 NEJ A 183 71.251 57.654 14.932 1.00 0.10 C HETATM 1965 C15 NEJ A 183 70.858 57.958 16.378 1.00 0.08 C HETATM 1966 C28 NEJ A 183 69.486 58.628 16.445 1.00 0.01 C HETATM 1967 C29 NEJ A 183 69.270 59.102 17.901 1.00 -0.04 C HETATM 1968 C30 NEJ A 183 68.973 58.063 18.987 1.00 -0.06 C HETATM 1969 C31 NEJ A 183 68.762 58.514 20.437 1.00 -0.07 C HETATM 1970 C32 NEJ A 183 68.849 59.982 20.788 1.00 -0.07 C HETATM 1971 C33 NEJ A 183 69.150 61.014 19.702 1.00 -0.07 C HETATM 1972 C34 NEJ A 183 69.363 60.560 18.247 1.00 -0.06 C HETATM 1973 H32 NEJ A 183 69.579 61.290 17.475 1.00 0.06 H HETATM 1974 H31 NEJ A 183 69.213 62.066 19.956 1.00 0.06 H HETATM 1975 H30 NEJ A 183 68.698 60.303 21.812 1.00 0.06 H HETATM 1976 H29 NEJ A 183 68.551 57.782 21.209 1.00 0.06 H HETATM 1977 H28 NEJ A 183 68.912 57.011 18.731 1.00 0.06 H HETATM 1978 H9 NEJ A 183 68.703 57.908 16.164 1.00 0.04 H HETATM 1979 H10 NEJ A 183 69.455 59.489 15.761 1.00 0.04 H HETATM 1980 N16 NEJ A 183 71.820 58.922 16.904 1.00 -0.26 N HETATM 1981 C17 NEJ A 183 72.808 58.572 17.943 1.00 0.32 C HETATM 1982 O18 NEJ A 183 72.835 57.517 18.483 1.00 -0.38 O HETATM 1983 O19 NEJ A 183 73.711 59.614 18.238 1.00 -0.26 O HETATM 1984 C20 NEJ A 183 74.480 59.563 19.445 1.00 0.12 C HETATM 1985 C21 NEJ A 183 75.945 60.190 19.033 1.00 0.08 C HETATM 1986 O22 NEJ A 183 75.690 61.490 18.863 1.00 -0.35 O HETATM 1987 C24 NEJ A 183 74.633 61.816 19.958 1.00 0.16 C HETATM 1988 C23 NEJ A 183 74.042 60.402 20.372 1.00 0.04 C HETATM 1989 C25 NEJ A 183 72.556 60.610 20.397 1.00 -0.02 C HETATM 1990 C26 NEJ A 183 72.304 61.666 19.655 1.00 0.05 C HETATM 1991 O27 NEJ A 183 73.694 62.501 19.487 1.00 -0.35 O HETATM 1992 H7 NEJ A 183 71.546 62.295 20.145 1.00 0.06 H HETATM 1993 H8 NEJ A 183 71.936 61.350 18.668 1.00 0.06 H HETATM 1994 H26 NEJ A 183 72.044 59.728 19.985 1.00 0.03 H HETATM 1995 H27 NEJ A 183 72.216 60.783 21.429 1.00 0.03 H HETATM 1996 H25 NEJ A 183 74.393 60.081 21.364 1.00 0.04 H HETATM 1997 H6 NEJ A 183 75.094 62.332 20.813 1.00 0.09 H HETATM 1998 H4 NEJ A 183 76.319 59.738 18.103 1.00 0.06 H HETATM 1999 H5 NEJ A 183 76.679 60.035 19.837 1.00 0.06 H HETATM 2000 H3 NEJ A 183 74.543 58.535 19.831 1.00 0.07 H HETATM 2001 H46 NEJ A 183 71.809 59.856 16.546 1.00 0.19 H HETATM 2002 H2 NEJ A 183 70.861 57.033 16.973 1.00 0.06 H HETATM 2003 C12 NEJ A 183 70.368 56.535 14.358 1.00 0.06 C HETATM 2004 N10 NEJ A 183 70.698 55.207 15.092 1.00 -0.24 N HETATM 2005 C11 NEJ A 183 71.522 54.157 14.390 1.00 0.03 C HETATM 2006 C37 NEJ A 183 72.987 54.563 14.383 1.00 -0.03 C HETATM 2007 C38 NEJ A 183 73.761 53.635 13.399 1.00 -0.05 C HETATM 2008 C36 NEJ A 183 73.435 52.170 13.658 1.00 -0.07 C HETATM 2009 H36 NEJ A 183 73.994 51.539 12.951 1.00 0.02 H HETATM 2010 H37 NEJ A 183 72.356 52.005 13.523 1.00 0.02 H HETATM 2011 H38 NEJ A 183 73.720 51.907 14.688 1.00 0.02 H HETATM 2012 H40 NEJ A 183 73.478 53.889 12.367 1.00 0.03 H HETATM 2013 H41 NEJ A 183 74.842 53.792 13.532 1.00 0.03 H HETATM 2014 C39 NEJ A 183 73.564 54.481 15.778 1.00 -0.06 C HETATM 2015 H42 NEJ A 183 72.999 55.145 16.448 1.00 0.02 H HETATM 2016 H43 NEJ A 183 74.619 54.793 15.758 1.00 0.02 H HETATM 2017 H44 NEJ A 183 73.495 53.446 16.143 1.00 0.02 H HETATM 2018 H39 NEJ A 183 73.069 55.602 14.031 1.00 0.03 H HETATM 2019 H21 NEJ A 183 71.413 53.197 14.916 1.00 0.05 H HETATM 2020 H22 NEJ A 183 71.169 54.050 13.354 1.00 0.05 H HETATM 2021 S07 NEJ A 183 69.485 54.574 16.145 1.00 0.04 S HETATM 2022 C04 NEJ A 183 68.488 53.473 15.133 1.00 0.10 C HETATM 2023 C03 NEJ A 183 68.799 51.955 15.161 1.00 -0.03 C HETATM 2024 C02 NEJ A 183 67.974 51.020 14.305 1.00 -0.05 C HETATM 2025 C01 NEJ A 183 66.849 51.595 13.445 1.00 -0.02 C HETATM 2026 C06 NEJ A 183 66.552 53.114 13.409 1.00 -0.05 C HETATM 2027 C05 NEJ A 183 67.379 54.059 14.265 1.00 -0.03 C HETATM 2028 H17 NEJ A 183 67.848 54.786 13.586 1.00 0.03 H HETATM 2029 H18 NEJ A 183 66.683 54.582 14.937 1.00 0.03 H HETATM 2030 H19 NEJ A 183 65.503 53.242 13.713 1.00 0.03 H HETATM 2031 H20 NEJ A 183 66.673 53.439 12.365 1.00 0.03 H HETATM 2032 C40 NEJ A 183 66.024 50.679 12.565 1.00 0.06 C HETATM 2033 C35 NEJ A 183 66.377 49.208 12.803 1.00 -0.04 C HETATM 2034 H33 NEJ A 183 65.761 48.573 12.149 1.00 0.03 H HETATM 2035 H34 NEJ A 183 66.183 48.950 13.854 1.00 0.03 H HETATM 2036 H35 NEJ A 183 67.441 49.045 12.576 1.00 0.03 H HETATM 2037 O41 NEJ A 183 66.379 51.029 11.273 1.00 -0.39 O HETATM 2038 H48 NEJ A 183 65.905 50.483 10.657 1.00 0.21 H HETATM 2039 H45 NEJ A 183 64.949 50.837 12.738 1.00 0.06 H HETATM 2040 H11 NEJ A 183 66.140 51.464 14.276 1.00 0.03 H HETATM 2041 H12 NEJ A 183 68.670 50.509 13.624 1.00 0.03 H HETATM 2042 H13 NEJ A 183 67.517 50.283 14.982 1.00 0.03 H HETATM 2043 H14 NEJ A 183 69.847 51.835 14.850 1.00 0.03 H HETATM 2044 H15 NEJ A 183 68.685 51.622 16.203 1.00 0.03 H HETATM 2045 H16 NEJ A 183 67.772 53.343 15.958 1.00 0.06 H HETATM 2046 O08 NEJ A 183 70.071 53.868 17.267 1.00 -0.15 O HETATM 2047 O09 NEJ A 183 68.655 55.637 16.744 1.00 -0.15 O HETATM 2048 H23 NEJ A 183 70.568 56.422 13.282 1.00 0.05 H HETATM 2049 H24 NEJ A 183 69.308 56.787 14.509 1.00 0.05 H HETATM 2050 O14 NEJ A 183 71.101 58.798 14.176 1.00 -0.39 O HETATM 2051 H47 NEJ A 183 71.360 58.620 13.280 1.00 0.21 H HETATM 2052 H1 NEJ A 183 72.303 57.333 14.903 1.00 0.06 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 882 883 888 889 890 CONECT 889 882 CONECT 890 882 CONECT 1964 1965 2003 2050 2052 CONECT 1965 1964 1966 1980 2002 CONECT 1966 1965 1967 1978 1979 CONECT 1967 1966 1968 1972 CONECT 1968 1967 1969 1977 CONECT 1969 1968 1970 1976 CONECT 1970 1969 1971 1975 CONECT 1971 1970 1972 1974 CONECT 1972 1967 1971 1973 CONECT 1973 1972 CONECT 1974 1971 CONECT 1975 1970 CONECT 1976 1969 CONECT 1977 1968 CONECT 1978 1966 CONECT 1979 1966 CONECT 1980 1965 1981 2001 CONECT 1981 1980 1982 1983 CONECT 1982 1981 CONECT 1983 1981 1984 CONECT 1984 1983 1985 1988 2000 CONECT 1985 1984 1986 1998 1999 CONECT 1986 1985 1987 CONECT 1987 1986 1988 1991 1997 CONECT 1988 1984 1987 1989 1996 CONECT 1989 1988 1990 1994 1995 CONECT 1990 1989 1991 1992 1993 CONECT 1991 1987 1990 CONECT 1992 1990 CONECT 1993 1990 CONECT 1994 1989 CONECT 1995 1989 CONECT 1996 1988 CONECT 1997 1987 CONECT 1998 1985 CONECT 1999 1985 CONECT 2000 1984 CONECT 2001 1980 CONECT 2002 1965 CONECT 2003 1964 2004 2048 2049 CONECT 2004 2003 2005 2021 CONECT 2005 2004 2006 2019 2020 CONECT 2006 2005 2007 2014 2018 CONECT 2007 2006 2008 2012 2013 CONECT 2008 2007 2009 2010 2011 CONECT 2009 2008 CONECT 2010 2008 CONECT 2011 2008 CONECT 2012 2007 CONECT 2013 2007 CONECT 2014 2006 2015 2016 2017 CONECT 2015 2014 CONECT 2016 2014 CONECT 2017 2014 CONECT 2018 2006 CONECT 2019 2005 CONECT 2020 2005 CONECT 2021 2004 2022 2046 2047 CONECT 2022 2021 2023 2027 2045 CONECT 2023 2022 2024 2043 2044 CONECT 2024 2023 2025 2041 2042 CONECT 2025 2024 2026 2032 2040 CONECT 2026 2025 2027 2030 2031 CONECT 2027 2022 2026 2028 2029 CONECT 2028 2027 CONECT 2029 2027 CONECT 2030 2026 CONECT 2031 2026 CONECT 2032 2025 2033 2037 2039 CONECT 2033 2032 2034 2035 2036 CONECT 2034 2033 CONECT 2035 2033 CONECT 2036 2033 CONECT 2037 2032 2038 CONECT 2038 2037 CONECT 2039 2032 CONECT 2040 2025 CONECT 2041 2024 CONECT 2042 2024 CONECT 2043 2023 CONECT 2044 2023 CONECT 2045 2022 CONECT 2046 2021 CONECT 2047 2021 CONECT 2048 2003 CONECT 2049 2003 CONECT 2050 1964 2051 CONECT 2051 2050 CONECT 2052 1964 MASTER 0 0 0 0 0 0 0 0 2050 2 95 16 END
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Structure:
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Related entries of code: 6oxt
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%
6oxs
RCSB PDB
PDBbind
99aa, >6OXS_1|Chains... at 91%
6oxr
RCSB PDB
PDBbind
99aa, >6OXR_1|Chains... at 91%
6oxq
RCSB PDB
PDBbind
99aa, >6OXQ_1|Chains... at 91%
6oxp
RCSB PDB
PDBbind
99aa, >6OXP_1|Chains... at 91%
6oou
RCSB PDB
PDBbind
99aa, >6OOU_1|Chains... at 90%
6oos
RCSB PDB
PDBbind
99aa, >6OOS_1|Chains... at 90%
6oy1
RCSB PDB
PDBbind
99aa, >6OY1_1|Chains... at 91%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6oxt
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
HIV-1 Protease NL4-3 WT
Ligand Name
NEJ
EC.Number
E.C.-.-.-.-
Resolution
1.86(Å)
Affinity (Kd/Ki/IC50)
Ki=0.111nM
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
8
N
2
O
8
S
Molecular Weight
596.776
Exact Mass
596.313
No. of atoms
89
No. of bonds
92
Polar Surface Area
143.01
LOGP Value
3.69 (
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: 17
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 4
Canonical SMILES
CC[C@@H](CN(S(=O)(=O)[C@@H]1CC[C@@H](CC1)[C@@H](O)C)C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2[C@H]1CCO2)O)C
InChI String
InChI=1S/C30H48N2O8S/c1-4-20(2)17-32(41(36,37)24-12-10-23(11-13-24)21(3)33)18-27(34)26(16-22-8-6-5-7-9-22)31-30(35)40-28-19-39-29-25(28)14-15-38-29/h5-9,20-21,23-29,33-34H,4,10-19H2,1-3H3,(H,31,35)/t20-,21-,23-,24+,25-,26-,27+,28-,29+/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P12497
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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