Browse entries in the PDBbind-CN Database
HEADER 6OXX_COMPLEX COMPND 6OXX_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 99 PRO GLN ILE THR LEU TRP LYS ARG PRO LEU VAL THR ILE SEQRES 2 A 99 LYS ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASP THR SEQRES 3 A 99 GLY ALA ASP ASP THR VAL LEU GLU GLU MET ASN LEU PRO SEQRES 4 A 99 GLY ARG TRP LYS PRO LYS MET ILE GLY GLY ILE GLY GLY SEQRES 5 A 99 PHE ILE LYS VAL ARG GLN TYR ASP GLN ILE LEU ILE GLU SEQRES 6 A 99 ILE CYS GLY HIS LYS ALA ILE GLY THR VAL LEU VAL GLY SEQRES 7 A 99 PRO THR PRO VAL ASN ILE ILE GLY ARG ASN LEU LEU THR SEQRES 8 A 99 GLN ILE GLY CYS THR LEU ASN PHE SEQRES 1 B 99 PRO GLN ILE THR LEU TRP LYS ARG PRO LEU VAL THR ILE SEQRES 2 B 99 LYS ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASP THR SEQRES 3 B 99 GLY ALA ASP ASP THR VAL LEU GLU GLU MET ASN LEU PRO SEQRES 4 B 99 GLY ARG TRP LYS PRO LYS MET ILE GLY GLY ILE GLY GLY SEQRES 5 B 99 PHE ILE LYS VAL ARG GLN TYR ASP GLN ILE LEU ILE GLU SEQRES 6 B 99 ILE CYS GLY HIS LYS ALA ILE GLY THR VAL LEU VAL GLY SEQRES 7 B 99 PRO THR PRO VAL ASN ILE ILE GLY ARG ASN LEU LEU THR SEQRES 8 B 99 GLN ILE GLY CYS THR LEU ASN PHE HET NF A 7 87 ATOM 1 N PRO A 1 79.854 65.302 -3.162 1.00 35.19 N ATOM 2 CA PRO A 1 78.847 64.584 -3.947 1.00 33.46 C ATOM 3 C PRO A 1 77.434 64.739 -3.401 1.00 32.67 C ATOM 4 O PRO A 1 77.244 65.266 -2.301 1.00 26.04 O ATOM 5 CB PRO A 1 79.300 63.129 -3.836 1.00 36.91 C ATOM 6 CG PRO A 1 79.944 63.058 -2.495 1.00 35.61 C ATOM 7 CD PRO A 1 80.619 64.392 -2.291 1.00 32.44 C ATOM 8 HN2 PRO A 1 79.377 66.013 -2.571 1.00 0.00 H ATOM 9 HN1 PRO A 1 80.511 65.778 -3.812 1.00 0.00 H ATOM 10 N GLN A 2 76.456 64.294 -4.183 1.00 30.08 N ATOM 11 CA GLN A 2 75.082 64.141 -3.725 1.00 23.48 C ATOM 12 C GLN A 2 74.833 62.664 -3.453 1.00 29.46 C ATOM 13 O GLN A 2 75.077 61.819 -4.321 1.00 26.43 O ATOM 14 CB GLN A 2 74.092 64.671 -4.763 1.00 31.58 C ATOM 15 CG GLN A 2 72.629 64.482 -4.387 1.00 28.10 C ATOM 16 CD GLN A 2 71.696 65.339 -5.228 1.00 31.18 C ATOM 17 OE1 GLN A 2 71.236 66.390 -4.787 1.00 24.84 O ATOM 18 NE2 GLN A 2 71.418 64.893 -6.447 1.00 32.41 N ATOM 19 HE22 GLN A 2 71.830 63.998 -6.780 1.00 0.00 H ATOM 20 HE21 GLN A 2 70.789 65.439 -7.069 1.00 0.00 H ATOM 21 H GLN A 2 76.682 64.044 -5.167 1.00 0.00 H ATOM 22 N ILE A 3 74.363 62.359 -2.247 1.00 25.44 N ATOM 23 CA ILE A 3 74.194 60.988 -1.781 1.00 22.65 C ATOM 24 C ILE A 3 72.705 60.732 -1.595 1.00 21.28 C ATOM 25 O ILE A 3 72.055 61.381 -0.767 1.00 19.64 O ATOM 26 CB ILE A 3 74.962 60.741 -0.473 1.00 25.16 C ATOM 27 CG1 ILE A 3 76.465 60.919 -0.693 1.00 19.58 C ATOM 28 CG2 ILE A 3 74.662 59.344 0.072 1.00 25.42 C ATOM 29 CD1 ILE A 3 77.289 60.941 0.579 1.00 25.04 C ATOM 30 H ILE A 3 74.104 63.136 -1.606 1.00 0.00 H ATOM 31 N THR A 4 72.164 59.795 -2.367 1.00 18.47 N ATOM 32 CA THR A 4 70.804 59.344 -2.134 1.00 16.85 C ATOM 33 C THR A 4 70.800 58.311 -1.011 1.00 15.18 C ATOM 34 O THR A 4 71.846 57.805 -0.594 1.00 20.52 O ATOM 35 CB THR A 4 70.196 58.767 -3.415 1.00 17.61 C ATOM 36 OG1 THR A 4 70.990 57.669 -3.874 1.00 21.01 O ATOM 37 CG2 THR A 4 70.134 59.830 -4.504 1.00 23.84 C ATOM 38 HG1 THR A 4 70.593 57.300 -4.702 1.00 0.00 H ATOM 39 H THR A 4 72.719 59.382 -3.144 1.00 0.00 H ATOM 40 N LEU A 5 69.603 57.992 -0.516 1.00 18.87 N ATOM 41 CA LEU A 5 69.471 57.266 0.742 1.00 21.03 C ATOM 42 C LEU A 5 68.736 55.935 0.589 1.00 21.45 C ATOM 43 O LEU A 5 68.243 55.387 1.579 1.00 16.39 O ATOM 44 CB LEU A 5 68.783 58.161 1.774 1.00 17.89 C ATOM 45 CG LEU A 5 69.573 59.433 2.114 1.00 12.97 C ATOM 46 CD1 LEU A 5 68.737 60.364 2.988 1.00 14.05 C ATOM 47 CD2 LEU A 5 70.887 59.107 2.810 1.00 18.81 C ATOM 48 H LEU A 5 68.746 58.267 -1.038 1.00 0.00 H ATOM 49 N TRP A 6 68.676 55.393 -0.631 1.00 24.02 N ATOM 50 CA TRP A 6 68.164 54.040 -0.823 1.00 19.19 C ATOM 51 C TRP A 6 69.069 53.010 -0.163 1.00 20.11 C ATOM 52 O TRP A 6 68.608 51.926 0.213 1.00 23.05 O ATOM 53 CB TRP A 6 68.015 53.748 -2.320 1.00 28.46 C ATOM 54 CG TRP A 6 67.293 54.839 -3.042 1.00 23.77 C ATOM 55 CD1 TRP A 6 67.854 55.876 -3.737 1.00 28.87 C ATOM 56 CD2 TRP A 6 65.880 55.024 -3.119 1.00 21.62 C ATOM 57 NE1 TRP A 6 66.872 56.693 -4.240 1.00 25.68 N ATOM 58 CE2 TRP A 6 65.651 56.187 -3.880 1.00 24.47 C ATOM 59 CE3 TRP A 6 64.783 54.318 -2.620 1.00 31.25 C ATOM 60 CZ2 TRP A 6 64.376 56.658 -4.153 1.00 24.43 C ATOM 61 CZ3 TRP A 6 63.516 54.787 -2.895 1.00 27.78 C ATOM 62 CH2 TRP A 6 63.322 55.944 -3.656 1.00 36.06 C ATOM 63 HE1 TRP A 6 67.029 57.554 -4.802 1.00 0.00 H ATOM 64 H TRP A 6 68.998 55.942 -1.453 1.00 0.00 H ATOM 65 N LYS A 7 70.349 53.328 -0.010 1.00 14.61 N ATOM 66 CA LYS A 7 71.285 52.506 0.736 1.00 15.54 C ATOM 67 C LYS A 7 71.849 53.309 1.900 1.00 16.43 C ATOM 68 O LYS A 7 71.764 54.540 1.930 1.00 18.57 O ATOM 69 CB LYS A 7 72.423 52.006 -0.165 1.00 22.51 C ATOM 70 H LYS A 7 70.697 54.206 -0.445 1.00 0.00 H ATOM 71 N ARG A 8 72.426 52.599 2.864 1.00 16.71 N ATOM 72 CA ARG A 8 73.056 53.265 3.993 1.00 16.93 C ATOM 73 C ARG A 8 74.157 54.199 3.494 1.00 19.33 C ATOM 74 O ARG A 8 74.972 53.802 2.650 1.00 15.55 O ATOM 75 CB ARG A 8 73.652 52.242 4.961 1.00 17.48 C ATOM 76 CG ARG A 8 72.611 51.444 5.714 1.00 22.67 C ATOM 77 CD ARG A 8 73.245 50.325 6.517 1.00 36.31 C ATOM 78 NE ARG A 8 72.279 49.661 7.389 1.00 49.19 N ATOM 79 CZ ARG A 8 72.441 48.445 7.905 1.00 57.77 C ATOM 80 NH1 ARG A 8 73.533 47.739 7.633 1.00 47.60 N ATOM 81 NH2 ARG A 8 71.504 47.928 8.690 1.00 45.74 N ATOM 82 HE ARG A 8 71.405 50.174 7.623 1.00 0.00 H ATOM 83 HH12 ARG A 8 73.653 46.789 8.040 1.00 0.00 H ATOM 84 HH11 ARG A 8 74.268 48.136 7.013 1.00 0.00 H ATOM 85 HH22 ARG A 8 71.630 46.978 9.094 1.00 0.00 H ATOM 86 HH21 ARG A 8 70.644 48.473 8.902 1.00 0.00 H ATOM 87 H ARG A 8 72.427 51.560 2.811 1.00 0.00 H ATOM 88 N PRO A 9 74.220 55.441 3.988 1.00 16.34 N ATOM 89 CA PRO A 9 75.301 56.353 3.545 1.00 13.61 C ATOM 90 C PRO A 9 76.648 56.040 4.188 1.00 17.93 C ATOM 91 O PRO A 9 77.160 56.761 5.051 1.00 14.18 O ATOM 92 CB PRO A 9 74.755 57.726 3.948 1.00 13.09 C ATOM 93 CG PRO A 9 73.878 57.454 5.126 1.00 12.78 C ATOM 94 CD PRO A 9 73.235 56.127 4.845 1.00 12.89 C ATOM 95 N LEU A 10 77.262 54.948 3.731 1.00 15.06 N ATOM 96 CA LEU A 10 78.547 54.494 4.250 1.00 18.44 C ATOM 97 C LEU A 10 79.680 55.073 3.414 1.00 23.28 C ATOM 98 O LEU A 10 79.659 54.989 2.181 1.00 28.54 O ATOM 99 CB LEU A 10 78.624 52.967 4.240 1.00 25.21 C ATOM 100 CG LEU A 10 77.645 52.250 5.169 1.00 22.72 C ATOM 101 CD1 LEU A 10 77.511 50.783 4.778 1.00 27.73 C ATOM 102 CD2 LEU A 10 78.106 52.370 6.611 1.00 17.92 C ATOM 103 H LEU A 10 76.806 54.398 2.975 1.00 0.00 H ATOM 104 N VAL A 11 80.673 55.651 4.085 1.00 18.81 N ATOM 105 CA VAL A 11 81.816 56.251 3.415 1.00 18.29 C ATOM 106 C VAL A 11 83.085 55.759 4.082 1.00 16.24 C ATOM 107 O VAL A 11 83.079 55.276 5.216 1.00 18.25 O ATOM 108 CB VAL A 11 81.777 57.793 3.440 1.00 17.27 C ATOM 109 CG1 VAL A 11 80.539 58.296 2.727 1.00 23.17 C ATOM 110 CG2 VAL A 11 81.828 58.307 4.868 1.00 19.49 C ATOM 111 H VAL A 11 80.630 55.675 5.124 1.00 0.00 H ATOM 112 N THR A 12 84.187 55.907 3.360 1.00 18.85 N ATOM 113 CA THR A 12 85.499 55.595 3.896 1.00 19.71 C ATOM 114 C THR A 12 86.039 56.828 4.608 1.00 16.06 C ATOM 115 O THR A 12 85.965 57.945 4.082 1.00 23.63 O ATOM 116 CB THR A 12 86.443 55.144 2.779 1.00 24.90 C ATOM 117 OG1 THR A 12 85.883 54.000 2.121 1.00 16.90 O ATOM 118 CG2 THR A 12 87.811 54.773 3.331 1.00 25.55 C ATOM 119 HG1 THR A 12 86.492 53.706 1.398 1.00 0.00 H ATOM 120 H THR A 12 84.109 56.256 2.383 1.00 0.00 H ATOM 121 N ILE A 13 86.554 56.623 5.813 1.00 14.51 N ATOM 122 CA ILE A 13 87.177 57.678 6.594 1.00 15.41 C ATOM 123 C ILE A 13 88.623 57.281 6.852 1.00 21.31 C ATOM 124 O ILE A 13 88.986 56.105 6.799 1.00 16.38 O ATOM 125 CB ILE A 13 86.442 57.932 7.922 1.00 14.23 C ATOM 126 CG1 ILE A 13 86.509 56.687 8.818 1.00 18.21 C ATOM 127 CG2 ILE A 13 84.994 58.318 7.646 1.00 15.14 C ATOM 128 CD1 ILE A 13 86.107 56.933 10.249 1.00 19.13 C ATOM 129 H ILE A 13 86.510 55.665 6.216 1.00 0.00 H ATOM 130 N LYS A 14 89.450 58.285 7.137 1.00 23.75 N ATOM 131 CA LYS A 14 90.833 58.077 7.550 1.00 19.54 C ATOM 132 C LYS A 14 91.030 58.749 8.897 1.00 25.49 C ATOM 133 O LYS A 14 90.790 59.954 9.037 1.00 25.04 O ATOM 134 CB LYS A 14 91.818 58.635 6.521 1.00 22.47 C ATOM 135 H LYS A 14 89.094 59.259 7.062 1.00 0.00 H ATOM 136 N ILE A 15 91.452 57.974 9.887 1.00 19.19 N ATOM 137 CA ILE A 15 91.694 58.497 11.222 1.00 21.20 C ATOM 138 C ILE A 15 92.879 57.759 11.821 1.00 29.14 C ATOM 139 O ILE A 15 93.013 56.542 11.660 1.00 25.93 O ATOM 140 CB ILE A 15 90.448 58.367 12.119 1.00 20.90 C ATOM 141 CG1 ILE A 15 90.749 58.957 13.495 1.00 26.21 C ATOM 142 CG2 ILE A 15 89.994 56.908 12.197 1.00 25.02 C ATOM 143 CD1 ILE A 15 89.590 58.989 14.423 1.00 21.35 C ATOM 144 H ILE A 15 91.614 56.963 9.703 1.00 0.00 H ATOM 145 N GLY A 16 93.746 58.503 12.506 1.00 31.25 N ATOM 146 CA GLY A 16 94.944 57.920 13.075 1.00 24.30 C ATOM 147 C GLY A 16 95.824 57.219 12.067 1.00 27.46 C ATOM 148 O GLY A 16 96.656 56.393 12.451 1.00 30.38 O ATOM 149 H GLY A 16 93.560 59.518 12.634 1.00 0.00 H ATOM 150 N GLY A 17 95.667 57.528 10.783 1.00 24.86 N ATOM 151 CA GLY A 17 96.422 56.876 9.731 1.00 26.68 C ATOM 152 C GLY A 17 95.831 55.583 9.221 1.00 30.45 C ATOM 153 O GLY A 17 96.496 54.880 8.451 1.00 37.52 O ATOM 154 H GLY A 17 94.978 58.263 10.524 1.00 0.00 H ATOM 155 N GLN A 18 94.606 55.249 9.616 1.00 26.17 N ATOM 156 CA GLN A 18 93.956 54.003 9.233 1.00 28.18 C ATOM 157 C GLN A 18 92.659 54.310 8.500 1.00 26.68 C ATOM 158 O GLN A 18 91.957 55.271 8.836 1.00 23.40 O ATOM 159 CB GLN A 18 93.667 53.141 10.466 1.00 29.38 C ATOM 160 CG GLN A 18 93.311 51.693 10.164 1.00 42.23 C ATOM 161 CD GLN A 18 93.019 50.899 11.423 1.00 38.74 C ATOM 162 OE1 GLN A 18 92.309 51.364 12.313 1.00 40.13 O ATOM 163 NE2 GLN A 18 93.579 49.701 11.509 1.00 38.69 N ATOM 164 HE22 GLN A 18 94.173 49.347 10.732 1.00 0.00 H ATOM 165 HE21 GLN A 18 93.425 49.114 12.354 1.00 0.00 H ATOM 166 H GLN A 18 94.087 55.910 10.228 1.00 0.00 H ATOM 167 N LEU A 19 92.344 53.494 7.497 1.00 18.43 N ATOM 168 CA LEU A 19 91.080 53.604 6.787 1.00 16.45 C ATOM 169 C LEU A 19 90.021 52.763 7.485 1.00 27.61 C ATOM 170 O LEU A 19 90.302 51.669 7.976 1.00 23.62 O ATOM 171 CB LEU A 19 91.219 53.150 5.333 1.00 24.44 C ATOM 172 CG LEU A 19 92.184 53.915 4.421 1.00 30.60 C ATOM 173 CD1 LEU A 19 92.008 53.443 2.977 1.00 26.93 C ATOM 174 CD2 LEU A 19 91.971 55.420 4.523 1.00 31.57 C ATOM 175 H LEU A 19 93.021 52.757 7.213 1.00 0.00 H ATOM 176 N LYS A 20 88.803 53.295 7.532 1.00 25.10 N ATOM 177 CA LYS A 20 87.655 52.600 8.094 1.00 20.56 C ATOM 178 C LYS A 20 86.421 53.011 7.303 1.00 18.21 C ATOM 179 O LYS A 20 86.436 53.989 6.552 1.00 19.48 O ATOM 180 CB LYS A 20 87.455 52.931 9.575 1.00 21.43 C ATOM 181 CG LYS A 20 88.559 52.464 10.504 1.00 25.43 C ATOM 182 CD LYS A 20 88.310 52.987 11.911 1.00 25.63 C ATOM 183 CE LYS A 20 89.242 52.371 12.925 1.00 31.07 C ATOM 184 NZ LYS A 20 88.925 50.946 13.167 1.00 35.56 N ATOM 185 HZ1 LYS A 20 87.952 50.864 13.525 1.00 0.00 H ATOM 186 HZ2 LYS A 20 89.014 50.416 12.276 1.00 0.00 H ATOM 187 HZ3 LYS A 20 89.587 50.559 13.869 1.00 0.00 H ATOM 188 H LYS A 20 88.665 54.252 7.149 1.00 0.00 H ATOM 189 N GLU A 21 85.351 52.250 7.482 1.00 18.36 N ATOM 190 CA GLU A 21 84.040 52.595 6.957 1.00 17.13 C ATOM 191 C GLU A 21 83.190 53.177 8.080 1.00 16.64 C ATOM 192 O GLU A 21 83.241 52.698 9.217 1.00 15.27 O ATOM 193 CB GLU A 21 83.357 51.363 6.361 1.00 22.21 C ATOM 194 CG GLU A 21 82.036 51.646 5.684 1.00 25.93 C ATOM 195 CD GLU A 21 81.552 50.476 4.846 1.00 32.24 C ATOM 196 OE1 GLU A 21 81.840 50.449 3.631 1.00 31.76 O ATOM 197 OE2 GLU A 21 80.894 49.579 5.406 1.00 31.80 O ATOM 198 H GLU A 21 85.454 51.367 8.022 1.00 0.00 H ATOM 199 N ALA A 22 82.407 54.206 7.757 1.00 18.68 N ATOM 200 CA ALA A 22 81.587 54.880 8.756 1.00 17.28 C ATOM 201 C ALA A 22 80.280 55.338 8.125 1.00 14.81 C ATOM 202 O ALA A 22 80.191 55.554 6.916 1.00 14.20 O ATOM 203 CB ALA A 22 82.319 56.076 9.380 1.00 16.35 C ATOM 204 H ALA A 22 82.380 54.535 6.771 1.00 0.00 H ATOM 205 N LEU A 23 79.268 55.502 8.975 1.00 13.12 N ATOM 206 CA LEU A 23 77.921 55.870 8.555 1.00 14.09 C ATOM 207 C LEU A 23 77.717 57.361 8.781 1.00 11.82 C ATOM 208 O LEU A 23 77.911 57.852 9.900 1.00 13.84 O ATOM 209 CB LEU A 23 76.882 55.069 9.343 1.00 17.45 C ATOM 210 CG LEU A 23 75.406 55.239 8.987 1.00 14.90 C ATOM 211 CD1 LEU A 23 75.116 54.680 7.610 1.00 17.81 C ATOM 212 CD2 LEU A 23 74.532 54.542 10.022 1.00 19.04 C ATOM 213 H LEU A 23 79.447 55.360 9.990 1.00 0.00 H ATOM 214 N LEU A 24 77.339 58.081 7.723 1.00 12.40 N ATOM 215 CA LEU A 24 76.974 59.488 7.853 1.00 11.02 C ATOM 216 C LEU A 24 75.599 59.567 8.504 1.00 11.98 C ATOM 217 O LEU A 24 74.597 59.132 7.925 1.00 15.02 O ATOM 218 CB LEU A 24 76.990 60.177 6.494 1.00 15.17 C ATOM 219 CG LEU A 24 78.305 60.111 5.711 1.00 15.80 C ATOM 220 CD1 LEU A 24 78.173 60.879 4.402 1.00 18.95 C ATOM 221 CD2 LEU A 24 79.469 60.635 6.523 1.00 17.28 C ATOM 222 H LEU A 24 77.304 57.630 6.786 1.00 0.00 H ATOM 223 N ASP A 25 75.552 60.120 9.712 1.00 9.68 N ATOM 224 CA ASP A 25 74.421 59.968 10.626 1.00 12.68 C ATOM 225 C ASP A 25 73.927 61.338 11.093 1.00 12.31 C ATOM 226 O ASP A 25 74.404 61.864 12.100 1.00 11.63 O ATOM 227 CB ASP A 25 74.873 59.097 11.791 1.00 14.01 C ATOM 228 CG ASP A 25 73.766 58.771 12.751 1.00 11.83 C ATOM 229 OD1 ASP A 25 72.648 59.306 12.599 1.00 11.95 O ATOM 230 OD2 ASP A 25 74.032 57.964 13.666 1.00 13.60 O ATOM 231 H ASP A 25 76.363 60.691 10.024 1.00 0.00 H ATOM 232 N THR A 26 72.944 61.903 10.387 1.00 10.90 N ATOM 233 CA THR A 26 72.454 63.233 10.745 1.00 11.07 C ATOM 234 C THR A 26 71.721 63.247 12.081 1.00 11.83 C ATOM 235 O THR A 26 71.589 64.316 12.687 1.00 11.52 O ATOM 236 CB THR A 26 71.552 63.782 9.638 1.00 12.53 C ATOM 237 OG1 THR A 26 70.494 62.856 9.363 1.00 12.09 O ATOM 238 CG2 THR A 26 72.373 64.029 8.363 1.00 15.78 C ATOM 239 HG1 THR A 26 69.957 62.718 10.183 1.00 0.00 H ATOM 240 H THR A 26 72.526 61.396 9.581 1.00 0.00 H ATOM 241 N GLY A 27 71.267 62.090 12.568 1.00 14.15 N ATOM 242 CA GLY A 27 70.649 61.984 13.873 1.00 11.96 C ATOM 243 C GLY A 27 71.601 61.889 15.044 1.00 14.30 C ATOM 244 O GLY A 27 71.154 61.775 16.190 1.00 14.29 O ATOM 245 H GLY A 27 71.361 61.232 11.988 1.00 0.00 H ATOM 246 N ALA A 28 72.907 61.930 14.804 1.00 9.75 N ATOM 247 CA ALA A 28 73.900 61.905 15.867 1.00 14.60 C ATOM 248 C ALA A 28 74.497 63.298 16.048 1.00 12.59 C ATOM 249 O ALA A 28 74.968 63.905 15.078 1.00 12.16 O ATOM 250 CB ALA A 28 74.993 60.883 15.545 1.00 14.44 C ATOM 251 H ALA A 28 73.232 61.982 13.818 1.00 0.00 H ATOM 252 N ASP A 29 74.457 63.813 17.285 1.00 17.17 N ATOM 253 CA ASP A 29 75.158 65.062 17.589 1.00 14.33 C ATOM 254 C ASP A 29 76.661 64.873 17.464 1.00 15.69 C ATOM 255 O ASP A 29 77.382 65.773 17.014 1.00 13.69 O ATOM 256 CB ASP A 29 74.869 65.544 19.017 1.00 15.84 C ATOM 257 CG ASP A 29 73.403 65.772 19.306 1.00 19.37 C ATOM 258 OD1 ASP A 29 72.593 65.902 18.363 1.00 18.03 O ATOM 259 OD2 ASP A 29 73.071 65.835 20.512 1.00 15.07 O ATOM 260 H ASP A 29 73.925 63.323 18.033 1.00 0.00 H ATOM 261 N ASP A 30 77.144 63.717 17.896 1.00 11.43 N ATOM 262 CA ASP A 30 78.554 63.446 18.082 1.00 11.97 C ATOM 263 C ASP A 30 78.976 62.279 17.204 1.00 14.83 C ATOM 264 O ASP A 30 78.151 61.502 16.716 1.00 13.75 O ATOM 265 CB ASP A 30 78.856 63.122 19.550 1.00 14.90 C ATOM 266 CG ASP A 30 78.336 64.185 20.497 1.00 17.97 C ATOM 267 OD1 ASP A 30 78.652 65.370 20.289 1.00 18.87 O ATOM 268 OD2 ASP A 30 77.586 63.834 21.427 1.00 23.47 O ATOM 269 H ASP A 30 76.468 62.957 18.115 1.00 0.00 H ATOM 270 N THR A 31 80.282 62.168 17.024 1.00 15.93 N ATOM 271 CA THR A 31 80.890 61.102 16.251 1.00 13.17 C ATOM 272 C THR A 31 81.369 60.020 17.208 1.00 17.25 C ATOM 273 O THR A 31 82.087 60.309 18.170 1.00 15.84 O ATOM 274 CB THR A 31 82.045 61.661 15.418 1.00 14.13 C ATOM 275 OG1 THR A 31 81.515 62.532 14.411 1.00 14.98 O ATOM 276 CG2 THR A 31 82.852 60.563 14.763 1.00 13.58 C ATOM 277 HG1 THR A 31 81.025 63.275 14.844 1.00 0.00 H ATOM 278 H THR A 31 80.903 62.880 17.458 1.00 0.00 H ATOM 279 N VAL A 32 80.957 58.781 16.952 1.00 16.13 N ATOM 280 CA VAL A 32 81.265 57.658 17.830 1.00 11.87 C ATOM 281 C VAL A 32 81.802 56.532 16.966 1.00 14.18 C ATOM 282 O VAL A 32 81.135 56.105 16.017 1.00 11.45 O ATOM 283 CB VAL A 32 80.040 57.188 18.628 1.00 13.43 C ATOM 284 CG1 VAL A 32 80.466 56.179 19.697 1.00 14.30 C ATOM 285 CG2 VAL A 32 79.321 58.380 19.252 1.00 20.76 C ATOM 286 H VAL A 32 80.395 58.607 16.095 1.00 0.00 H ATOM 287 N LEU A 33 83.000 56.055 17.293 1.00 13.61 N ATOM 288 CA LEU A 33 83.669 55.006 16.542 1.00 11.19 C ATOM 289 C LEU A 33 83.853 53.775 17.419 1.00 18.23 C ATOM 290 O LEU A 33 83.956 53.874 18.643 1.00 13.44 O ATOM 291 CB LEU A 33 85.035 55.473 16.031 1.00 17.56 C ATOM 292 CG LEU A 33 85.064 56.730 15.166 1.00 17.12 C ATOM 293 CD1 LEU A 33 86.488 57.011 14.711 1.00 25.06 C ATOM 294 CD2 LEU A 33 84.143 56.593 13.965 1.00 15.14 C ATOM 295 H LEU A 33 83.481 56.452 18.126 1.00 0.00 H ATOM 296 N GLU A 34 83.881 52.611 16.778 1.00 17.97 N ATOM 297 CA GLU A 34 84.100 51.366 17.490 1.00 17.54 C ATOM 298 C GLU A 34 85.500 51.342 18.101 1.00 19.35 C ATOM 299 O GLU A 34 86.386 52.118 17.731 1.00 18.69 O ATOM 300 CB GLU A 34 83.916 50.172 16.553 1.00 19.28 C ATOM 301 CG GLU A 34 82.509 50.049 15.964 1.00 21.24 C ATOM 302 CD GLU A 34 82.318 48.775 15.162 1.00 29.28 C ATOM 303 OE1 GLU A 34 82.840 48.704 14.029 1.00 25.70 O ATOM 304 OE2 GLU A 34 81.661 47.840 15.674 1.00 33.32 O ATOM 305 H GLU A 34 83.743 52.592 15.747 1.00 0.00 H ATOM 306 N GLU A 35 85.684 50.430 19.052 1.00 22.51 N ATOM 307 CA GLU A 35 86.939 50.315 19.783 1.00 24.04 C ATOM 308 C GLU A 35 88.128 50.316 18.832 1.00 19.07 C ATOM 309 O GLU A 35 88.157 49.564 17.856 1.00 18.73 O ATOM 310 CB GLU A 35 86.934 49.030 20.614 1.00 30.71 C ATOM 311 CG GLU A 35 88.200 48.821 21.412 1.00 37.84 C ATOM 312 CD GLU A 35 88.478 49.979 22.331 1.00 38.72 C ATOM 313 OE1 GLU A 35 87.509 50.507 22.922 1.00 44.92 O ATOM 314 OE2 GLU A 35 89.654 50.376 22.446 1.00 45.49 O ATOM 315 H GLU A 35 84.907 49.778 19.281 1.00 0.00 H ATOM 316 N MET A 36 89.111 51.166 19.129 1.00 24.07 N ATOM 317 CA MET A 36 90.311 51.291 18.310 1.00 26.53 C ATOM 318 C MET A 36 91.386 51.995 19.126 1.00 30.66 C ATOM 319 O MET A 36 91.100 52.642 20.135 1.00 21.17 O ATOM 320 CB MET A 36 90.034 52.075 17.022 1.00 26.53 C ATOM 321 CG MET A 36 89.763 53.564 17.262 1.00 25.79 C ATOM 322 SD MET A 36 89.593 54.543 15.768 1.00 27.18 S ATOM 323 CE MET A 36 91.187 54.290 14.994 1.00 28.99 C ATOM 324 H MET A 36 89.019 51.762 19.976 1.00 0.00 H ATOM 325 N ASN A 37 92.628 51.886 18.658 1.00 33.18 N ATOM 326 CA ASN A 37 93.753 52.582 19.272 1.00 37.48 C ATOM 327 C ASN A 37 93.955 53.931 18.592 1.00 35.00 C ATOM 328 O ASN A 37 94.064 53.998 17.364 1.00 29.48 O ATOM 329 CB ASN A 37 95.031 51.749 19.165 1.00 35.87 C ATOM 330 CG ASN A 37 94.944 50.445 19.926 1.00 38.66 C ATOM 331 OD1 ASN A 37 94.990 49.365 19.336 1.00 44.02 O ATOM 332 ND2 ASN A 37 94.823 50.537 21.247 1.00 32.38 N ATOM 333 HD22 ASN A 37 94.788 51.471 21.702 1.00 0.00 H ATOM 334 HD21 ASN A 37 94.763 49.674 21.825 1.00 0.00 H ATOM 335 H ASN A 37 92.801 51.285 17.827 1.00 0.00 H ATOM 336 N LEU A 38 94.004 55.000 19.392 1.00 32.47 N ATOM 337 CA LEU A 38 94.262 56.346 18.896 1.00 35.70 C ATOM 338 C LEU A 38 95.315 57.031 19.757 1.00 28.57 C ATOM 339 O LEU A 38 95.266 56.933 20.987 1.00 32.35 O ATOM 340 CB LEU A 38 92.986 57.201 18.902 1.00 35.14 C ATOM 341 CG LEU A 38 92.123 57.230 17.644 1.00 40.94 C ATOM 342 CD1 LEU A 38 90.895 58.098 17.890 1.00 33.97 C ATOM 343 CD2 LEU A 38 92.903 57.742 16.446 1.00 29.01 C ATOM 344 H LEU A 38 93.852 54.866 20.412 1.00 0.00 H ATOM 345 N PRO A 39 96.264 57.744 19.152 1.00 37.74 N ATOM 346 CA PRO A 39 97.298 58.417 19.946 1.00 37.12 C ATOM 347 C PRO A 39 96.756 59.639 20.674 1.00 30.67 C ATOM 348 O PRO A 39 95.712 60.197 20.331 1.00 38.16 O ATOM 349 CB PRO A 39 98.346 58.817 18.903 1.00 38.94 C ATOM 350 CG PRO A 39 97.584 58.940 17.632 1.00 40.48 C ATOM 351 CD PRO A 39 96.465 57.939 17.704 1.00 33.04 C ATOM 352 N GLY A 40 97.499 60.063 21.691 1.00 45.46 N ATOM 353 CA GLY A 40 97.157 61.256 22.442 1.00 47.43 C ATOM 354 C GLY A 40 96.343 60.940 23.682 1.00 43.67 C ATOM 355 O GLY A 40 96.083 59.784 24.031 1.00 44.00 O ATOM 356 H GLY A 40 98.349 59.525 21.956 1.00 0.00 H ATOM 357 N ARG A 41 95.929 62.010 24.353 1.00 36.84 N ATOM 358 CA ARG A 41 95.185 61.909 25.596 1.00 39.87 C ATOM 359 C ARG A 41 93.690 61.753 25.327 1.00 30.49 C ATOM 360 O ARG A 41 93.169 62.158 24.286 1.00 29.81 O ATOM 361 CB ARG A 41 95.428 63.145 26.464 1.00 33.66 C ATOM 362 H ARG A 41 96.146 62.954 23.974 1.00 0.00 H ATOM 363 N TRP A 42 92.999 61.162 26.297 1.00 35.09 N ATOM 364 CA TRP A 42 91.554 61.022 26.243 1.00 30.81 C ATOM 365 C TRP A 42 90.998 61.196 27.646 1.00 33.61 C ATOM 366 O TRP A 42 91.739 61.229 28.633 1.00 33.58 O ATOM 367 CB TRP A 42 91.142 59.667 25.652 1.00 30.48 C ATOM 368 CG TRP A 42 91.730 58.488 26.359 1.00 25.75 C ATOM 369 CD1 TRP A 42 92.899 57.852 26.059 1.00 24.98 C ATOM 370 CD2 TRP A 42 91.177 57.800 27.483 1.00 28.85 C ATOM 371 NE1 TRP A 42 93.111 56.812 26.929 1.00 27.32 N ATOM 372 CE2 TRP A 42 92.066 56.756 27.812 1.00 32.32 C ATOM 373 CE3 TRP A 42 90.019 57.966 28.245 1.00 27.97 C ATOM 374 CZ2 TRP A 42 91.831 55.881 28.869 1.00 32.72 C ATOM 375 CZ3 TRP A 42 89.786 57.089 29.298 1.00 31.58 C ATOM 376 CH2 TRP A 42 90.690 56.064 29.599 1.00 33.96 C ATOM 377 HE1 TRP A 42 93.931 56.172 26.919 1.00 0.00 H ATOM 378 H TRP A 42 93.510 60.787 27.122 1.00 0.00 H ATOM 379 N LYS A 43 89.674 61.319 27.727 1.00 32.29 N ATOM 380 CA LYS A 43 88.979 61.483 28.991 1.00 26.46 C ATOM 381 C LYS A 43 87.749 60.585 28.983 1.00 28.42 C ATOM 382 O LYS A 43 87.062 60.495 27.955 1.00 20.73 O ATOM 383 CB LYS A 43 88.559 62.941 29.215 1.00 29.47 C ATOM 384 H LYS A 43 89.116 61.297 26.850 1.00 0.00 H ATOM 385 N PRO A 44 87.445 59.909 30.091 1.00 28.52 N ATOM 386 CA PRO A 44 86.232 59.084 30.124 1.00 27.65 C ATOM 387 C PRO A 44 84.977 59.942 30.102 1.00 33.98 C ATOM 388 O PRO A 44 84.893 60.978 30.767 1.00 23.89 O ATOM 389 CB PRO A 44 86.360 58.302 31.438 1.00 27.40 C ATOM 390 CG PRO A 44 87.311 59.074 32.264 1.00 34.22 C ATOM 391 CD PRO A 44 88.234 59.783 31.329 1.00 27.57 C ATOM 392 N LYS A 45 83.997 59.500 29.318 1.00 19.10 N ATOM 393 CA LYS A 45 82.736 60.213 29.186 1.00 20.72 C ATOM 394 C LYS A 45 81.624 59.197 28.973 1.00 17.68 C ATOM 395 O LYS A 45 81.873 58.012 28.735 1.00 20.71 O ATOM 396 CB LYS A 45 82.782 61.219 28.033 1.00 23.87 C ATOM 397 H LYS A 45 84.137 58.619 28.784 1.00 0.00 H ATOM 398 N MET A 46 80.387 59.680 29.070 1.00 15.49 N ATOM 399 CA MET A 46 79.190 58.893 28.818 1.00 17.59 C ATOM 400 C MET A 46 78.428 59.501 27.649 1.00 25.89 C ATOM 401 O MET A 46 78.426 60.721 27.465 1.00 25.80 O ATOM 402 CB MET A 46 78.268 58.867 30.039 1.00 22.36 C ATOM 403 CG MET A 46 78.926 58.426 31.330 1.00 27.86 C ATOM 404 SD MET A 46 79.376 56.688 31.336 1.00 32.62 S ATOM 405 CE MET A 46 77.774 55.914 31.174 1.00 23.45 C ATOM 406 H MET A 46 80.270 60.677 29.341 1.00 0.00 H ATOM 407 N ILE A 47 77.768 58.651 26.861 1.00 19.80 N ATOM 408 CA ILE A 47 76.854 59.119 25.821 1.00 20.64 C ATOM 409 C ILE A 47 75.648 58.197 25.754 1.00 17.33 C ATOM 410 O ILE A 47 75.777 56.975 25.881 1.00 19.91 O ATOM 411 CB ILE A 47 77.528 59.204 24.438 1.00 22.48 C ATOM 412 CG1 ILE A 47 78.181 57.869 24.074 1.00 21.29 C ATOM 413 CG2 ILE A 47 78.518 60.339 24.414 1.00 36.74 C ATOM 414 CD1 ILE A 47 78.638 57.782 22.647 1.00 34.56 C ATOM 415 H ILE A 47 77.907 57.628 26.990 1.00 0.00 H ATOM 416 N GLY A 48 74.479 58.785 25.528 1.00 13.14 N ATOM 417 CA GLY A 48 73.225 58.052 25.457 1.00 18.40 C ATOM 418 C GLY A 48 72.723 57.962 24.029 1.00 21.37 C ATOM 419 O GLY A 48 72.877 58.903 23.241 1.00 18.18 O ATOM 420 H GLY A 48 74.459 59.816 25.396 1.00 0.00 H ATOM 421 N GLY A 49 72.128 56.824 23.701 1.00 16.00 N ATOM 422 CA GLY A 49 71.490 56.600 22.425 1.00 18.79 C ATOM 423 C GLY A 49 70.084 56.064 22.623 1.00 23.78 C ATOM 424 O GLY A 49 69.446 56.285 23.657 1.00 15.57 O ATOM 425 H GLY A 49 72.120 56.053 24.399 1.00 0.00 H ATOM 426 N ILE A 50 69.613 55.324 21.618 1.00 15.63 N ATOM 427 CA ILE A 50 68.230 54.868 21.644 1.00 15.63 C ATOM 428 C ILE A 50 68.014 53.834 22.737 1.00 16.78 C ATOM 429 O ILE A 50 66.889 53.666 23.219 1.00 18.04 O ATOM 430 CB ILE A 50 67.813 54.316 20.270 1.00 19.37 C ATOM 431 CG1 ILE A 50 66.287 54.319 20.163 1.00 17.67 C ATOM 432 CG2 ILE A 50 68.380 52.913 20.048 1.00 23.02 C ATOM 433 CD1 ILE A 50 65.761 53.994 18.793 1.00 21.93 C ATOM 434 H ILE A 50 70.231 55.074 20.819 1.00 0.00 H ATOM 435 N GLY A 51 69.068 53.125 23.142 1.00 14.47 N ATOM 436 CA GLY A 51 68.927 52.008 24.057 1.00 20.82 C ATOM 437 C GLY A 51 69.454 52.246 25.455 1.00 21.50 C ATOM 438 O GLY A 51 69.338 51.376 26.320 1.00 18.68 O ATOM 439 H GLY A 51 70.014 53.379 22.793 1.00 0.00 H ATOM 440 N GLY A 52 70.015 53.424 25.702 1.00 18.90 N ATOM 441 CA GLY A 52 70.595 53.746 26.986 1.00 21.64 C ATOM 442 C GLY A 52 71.933 54.416 26.804 1.00 18.81 C ATOM 443 O GLY A 52 72.216 55.002 25.755 1.00 17.14 O ATOM 444 H GLY A 52 70.038 54.138 24.947 1.00 0.00 H ATOM 445 N PHE A 53 72.776 54.301 27.825 1.00 17.79 N ATOM 446 CA PHE A 53 74.027 55.035 27.891 1.00 16.41 C ATOM 447 C PHE A 53 75.210 54.082 27.908 1.00 19.33 C ATOM 448 O PHE A 53 75.131 52.972 28.445 1.00 15.32 O ATOM 449 CB PHE A 53 74.063 55.931 29.131 1.00 19.90 C ATOM 450 CG PHE A 53 73.160 57.127 29.034 1.00 18.99 C ATOM 451 CD1 PHE A 53 71.790 56.983 29.144 1.00 22.00 C ATOM 452 CD2 PHE A 53 73.681 58.391 28.832 1.00 22.42 C ATOM 453 CE1 PHE A 53 70.955 58.073 29.053 1.00 22.60 C ATOM 454 CE2 PHE A 53 72.841 59.494 28.741 1.00 20.28 C ATOM 455 CZ PHE A 53 71.480 59.328 28.851 1.00 25.34 C ATOM 456 H PHE A 53 72.530 53.661 28.607 1.00 0.00 H ATOM 457 N ILE A 54 76.312 54.539 27.314 1.00 15.49 N ATOM 458 CA ILE A 54 77.555 53.785 27.260 1.00 18.74 C ATOM 459 C ILE A 54 78.705 54.674 27.704 1.00 21.54 C ATOM 460 O ILE A 54 78.643 55.903 27.632 1.00 16.58 O ATOM 461 CB ILE A 54 77.842 53.228 25.847 1.00 21.60 C ATOM 462 CG1 ILE A 54 77.947 54.365 24.825 1.00 16.83 C ATOM 463 CG2 ILE A 54 76.759 52.234 25.448 1.00 23.29 C ATOM 464 CD1 ILE A 54 78.504 53.925 23.480 1.00 18.33 C ATOM 465 H ILE A 54 76.282 55.478 26.868 1.00 0.00 H ATOM 466 N LYS A 55 79.769 54.026 28.158 1.00 18.74 N ATOM 467 CA LYS A 55 81.010 54.706 28.481 1.00 20.99 C ATOM 468 C LYS A 55 81.869 54.782 27.231 1.00 21.62 C ATOM 469 O LYS A 55 81.972 53.812 26.475 1.00 19.67 O ATOM 470 CB LYS A 55 81.764 53.969 29.591 1.00 20.02 C ATOM 471 H LYS A 55 79.712 52.996 28.287 1.00 0.00 H ATOM 472 N VAL A 56 82.477 55.946 27.010 1.00 19.76 N ATOM 473 CA VAL A 56 83.335 56.167 25.857 1.00 19.68 C ATOM 474 C VAL A 56 84.579 56.918 26.300 1.00 22.90 C ATOM 475 O VAL A 56 84.610 57.558 27.351 1.00 21.91 O ATOM 476 CB VAL A 56 82.619 56.945 24.729 1.00 24.81 C ATOM 477 CG1 VAL A 56 81.499 56.110 24.148 1.00 21.87 C ATOM 478 CG2 VAL A 56 82.079 58.276 25.236 1.00 15.85 C ATOM 479 H VAL A 56 82.333 56.724 27.685 1.00 0.00 H ATOM 480 N ARG A 57 85.615 56.819 25.475 1.00 20.02 N ATOM 481 CA ARG A 57 86.821 57.620 25.617 1.00 21.63 C ATOM 482 C ARG A 57 86.718 58.778 24.639 1.00 20.39 C ATOM 483 O ARG A 57 86.501 58.563 23.444 1.00 19.80 O ATOM 484 CB ARG A 57 88.067 56.780 25.341 1.00 28.85 C ATOM 485 CG ARG A 57 88.291 55.666 26.359 1.00 31.92 C ATOM 486 CD ARG A 57 88.738 54.384 25.701 1.00 39.24 C ATOM 487 NE ARG A 57 89.805 54.612 24.736 1.00 32.10 N ATOM 488 CZ ARG A 57 90.101 53.788 23.735 1.00 45.95 C ATOM 489 NH1 ARG A 57 89.411 52.669 23.558 1.00 45.03 N ATOM 490 NH2 ARG A 57 91.088 54.084 22.903 1.00 43.83 N ATOM 491 HE ARG A 57 90.373 55.477 24.837 1.00 0.00 H ATOM 492 HH12 ARG A 57 89.649 52.030 22.773 1.00 0.00 H ATOM 493 HH11 ARG A 57 88.632 52.431 24.205 1.00 0.00 H ATOM 494 HH22 ARG A 57 91.319 53.439 22.120 1.00 0.00 H ATOM 495 HH21 ARG A 57 91.632 54.961 23.032 1.00 0.00 H ATOM 496 H ARG A 57 85.562 56.137 24.691 1.00 0.00 H ATOM 497 N GLN A 58 86.839 59.999 25.147 1.00 18.61 N ATOM 498 CA GLN A 58 86.701 61.196 24.332 1.00 16.64 C ATOM 499 C GLN A 58 88.079 61.676 23.900 1.00 25.01 C ATOM 500 O GLN A 58 88.924 61.992 24.747 1.00 22.05 O ATOM 501 CB GLN A 58 85.973 62.296 25.097 1.00 18.11 C ATOM 502 CG GLN A 58 85.884 63.617 24.337 1.00 22.12 C ATOM 503 CD GLN A 58 84.989 64.626 25.033 1.00 27.01 C ATOM 504 OE1 GLN A 58 84.054 64.255 25.739 1.00 29.31 O ATOM 505 NE2 GLN A 58 85.274 65.907 24.837 1.00 29.40 N ATOM 506 HE22 GLN A 58 86.076 66.175 24.231 1.00 0.00 H ATOM 507 HE21 GLN A 58 84.696 66.644 25.290 1.00 0.00 H ATOM 508 H GLN A 58 87.039 60.103 26.162 1.00 0.00 H ATOM 509 N TYR A 59 88.300 61.722 22.589 1.00 20.84 N ATOM 510 CA TYR A 59 89.498 62.301 21.996 1.00 24.62 C ATOM 511 C TYR A 59 89.115 63.625 21.356 1.00 23.75 C ATOM 512 O TYR A 59 88.226 63.668 20.498 1.00 22.53 O ATOM 513 CB TYR A 59 90.111 61.373 20.950 1.00 23.93 C ATOM 514 CG TYR A 59 90.574 60.052 21.504 1.00 24.86 C ATOM 515 CD1 TYR A 59 89.679 59.012 21.702 1.00 23.61 C ATOM 516 CD2 TYR A 59 91.908 59.843 21.829 1.00 27.49 C ATOM 517 CE1 TYR A 59 90.097 57.799 22.207 1.00 26.19 C ATOM 518 CE2 TYR A 59 92.338 58.632 22.336 1.00 27.44 C ATOM 519 CZ TYR A 59 91.428 57.615 22.524 1.00 30.22 C ATOM 520 OH TYR A 59 91.849 56.406 23.027 1.00 31.26 O ATOM 521 HH TYR A 59 91.075 55.792 23.099 1.00 0.00 H ATOM 522 H TYR A 59 87.579 61.324 21.954 1.00 0.00 H ATOM 523 N ASP A 60 89.779 64.694 21.767 1.00 25.31 N ATOM 524 CA ASP A 60 89.503 66.015 21.226 1.00 28.06 C ATOM 525 C ASP A 60 90.508 66.368 20.139 1.00 27.76 C ATOM 526 O ASP A 60 91.632 65.859 20.112 1.00 22.40 O ATOM 527 CB ASP A 60 89.539 67.075 22.326 1.00 31.21 C ATOM 528 CG ASP A 60 88.383 66.942 23.301 1.00 34.32 C ATOM 529 OD1 ASP A 60 87.243 66.698 22.850 1.00 30.16 O ATOM 530 OD2 ASP A 60 88.618 67.077 24.518 1.00 38.74 O ATOM 531 H ASP A 60 90.515 64.586 22.494 1.00 0.00 H ATOM 532 N GLN A 61 90.072 67.242 19.232 1.00 25.77 N ATOM 533 CA GLN A 61 90.927 67.845 18.215 1.00 25.43 C ATOM 534 C GLN A 61 91.668 66.783 17.403 1.00 30.94 C ATOM 535 O GLN A 61 92.871 66.882 17.145 1.00 21.48 O ATOM 536 CB GLN A 61 91.899 68.835 18.860 1.00 27.85 C ATOM 537 CG GLN A 61 92.124 70.079 18.029 1.00 19.81 C ATOM 538 CD GLN A 61 92.844 71.171 18.794 1.00 23.72 C ATOM 539 OE1 GLN A 61 92.494 71.480 19.930 1.00 26.51 O ATOM 540 NE2 GLN A 61 93.857 71.758 18.174 1.00 16.61 N ATOM 541 HE22 GLN A 61 94.118 71.464 17.211 1.00 0.00 H ATOM 542 HE21 GLN A 61 94.391 72.513 18.650 1.00 0.00 H ATOM 543 H GLN A 61 89.067 67.509 19.250 1.00 0.00 H ATOM 544 N ILE A 62 90.921 65.768 16.971 1.00 22.09 N ATOM 545 CA ILE A 62 91.471 64.663 16.193 1.00 25.30 C ATOM 546 C ILE A 62 91.290 64.954 14.712 1.00 23.04 C ATOM 547 O ILE A 62 90.202 65.345 14.273 1.00 18.17 O ATOM 548 CB ILE A 62 90.797 63.331 16.569 1.00 20.38 C ATOM 549 CG1 ILE A 62 91.155 62.924 18.001 1.00 28.07 C ATOM 550 CG2 ILE A 62 91.183 62.231 15.585 1.00 19.42 C ATOM 551 CD1 ILE A 62 92.631 62.642 18.230 1.00 31.39 C ATOM 552 H ILE A 62 89.906 65.763 17.197 1.00 0.00 H ATOM 553 N LEU A 63 92.352 64.747 13.940 1.00 15.70 N ATOM 554 CA LEU A 63 92.276 64.863 12.491 1.00 25.72 C ATOM 555 C LEU A 63 91.574 63.639 11.921 1.00 25.13 C ATOM 556 O LEU A 63 91.937 62.503 12.239 1.00 25.74 O ATOM 557 CB LEU A 63 93.672 64.995 11.882 1.00 28.75 C ATOM 558 CG LEU A 63 94.323 66.382 11.886 1.00 33.94 C ATOM 559 CD1 LEU A 63 94.424 66.942 13.293 1.00 34.82 C ATOM 560 CD2 LEU A 63 95.698 66.320 11.233 1.00 32.49 C ATOM 561 H LEU A 63 93.259 64.496 14.382 1.00 0.00 H ATOM 562 N ILE A 64 90.576 63.873 11.075 1.00 19.84 N ATOM 563 CA ILE A 64 89.819 62.795 10.447 1.00 19.06 C ATOM 564 C ILE A 64 89.378 63.260 9.069 1.00 24.60 C ATOM 565 O ILE A 64 88.866 64.373 8.911 1.00 26.94 O ATOM 566 CB ILE A 64 88.609 62.381 11.309 1.00 26.03 C ATOM 567 CG1 ILE A 64 87.740 61.371 10.566 1.00 18.45 C ATOM 568 CG2 ILE A 64 87.787 63.605 11.695 1.00 25.76 C ATOM 569 CD1 ILE A 64 86.666 60.749 11.437 1.00 29.23 C ATOM 570 H ILE A 64 90.326 64.858 10.853 1.00 0.00 H ATOM 571 N GLU A 65 89.576 62.406 8.070 1.00 21.57 N ATOM 572 CA GLU A 65 89.233 62.712 6.688 1.00 19.86 C ATOM 573 C GLU A 65 88.016 61.884 6.297 1.00 24.65 C ATOM 574 O GLU A 65 88.026 60.657 6.441 1.00 23.86 O ATOM 575 CB GLU A 65 90.418 62.429 5.761 1.00 21.69 C ATOM 576 CG GLU A 65 90.193 62.812 4.306 1.00 33.33 C ATOM 577 CD GLU A 65 91.485 62.835 3.502 1.00 30.05 C ATOM 578 OE1 GLU A 65 91.611 63.689 2.598 1.00 25.44 O ATOM 579 OE2 GLU A 65 92.375 62.009 3.783 1.00 17.81 O ATOM 580 H GLU A 65 89.994 61.478 8.285 1.00 0.00 H ATOM 581 N ILE A 66 86.971 62.553 5.816 1.00 21.90 N ATOM 582 CA ILE A 66 85.690 61.916 5.518 1.00 21.20 C ATOM 583 C ILE A 66 85.430 62.076 4.030 1.00 19.47 C ATOM 584 O ILE A 66 85.194 63.191 3.550 1.00 20.87 O ATOM 585 CB ILE A 66 84.543 62.521 6.340 1.00 21.80 C ATOM 586 CG1 ILE A 66 84.824 62.388 7.839 1.00 22.93 C ATOM 587 CG2 ILE A 66 83.233 61.841 6.000 1.00 18.03 C ATOM 588 CD1 ILE A 66 84.056 63.359 8.691 1.00 21.13 C ATOM 589 H ILE A 66 87.070 63.574 5.645 1.00 0.00 H ATOM 590 N CYS A 67 85.468 60.967 3.296 1.00 25.02 N ATOM 591 CA CYS A 67 85.172 60.981 1.868 1.00 25.89 C ATOM 592 C CYS A 67 85.959 62.084 1.165 1.00 29.57 C ATOM 593 O CYS A 67 85.445 62.789 0.294 1.00 31.01 O ATOM 594 CB CYS A 67 83.668 61.147 1.635 1.00 31.91 C ATOM 595 SG CYS A 67 83.077 60.521 0.059 1.00 47.55 S ATOM 596 H CYS A 67 85.715 60.066 3.753 1.00 0.00 H ATOM 597 N GLY A 68 87.219 62.248 1.564 1.00 26.65 N ATOM 598 CA GLY A 68 88.095 63.222 0.946 1.00 31.57 C ATOM 599 C GLY A 68 88.001 64.632 1.491 1.00 30.54 C ATOM 600 O GLY A 68 88.647 65.532 0.937 1.00 36.33 O ATOM 601 H GLY A 68 87.584 61.661 2.341 1.00 0.00 H ATOM 602 N HIS A 69 87.223 64.861 2.546 1.00 27.80 N ATOM 603 CA HIS A 69 87.106 66.172 3.176 1.00 21.10 C ATOM 604 C HIS A 69 87.657 66.099 4.593 1.00 24.66 C ATOM 605 O HIS A 69 87.316 65.186 5.352 1.00 21.38 O ATOM 606 CB HIS A 69 85.648 66.644 3.199 1.00 27.92 C ATOM 607 CG HIS A 69 85.102 66.993 1.849 1.00 29.95 C ATOM 608 ND1 HIS A 69 84.874 66.050 0.869 1.00 30.96 N ATOM 609 CD2 HIS A 69 84.728 68.181 1.322 1.00 20.81 C ATOM 610 CE1 HIS A 69 84.392 66.645 -0.207 1.00 28.90 C ATOM 611 NE2 HIS A 69 84.291 67.938 0.043 1.00 28.61 N ATOM 612 H HIS A 69 86.674 64.070 2.939 1.00 0.00 H ATOM 613 N LYS A 70 88.489 67.070 4.952 1.00 19.48 N ATOM 614 CA LYS A 70 89.178 67.060 6.230 1.00 22.67 C ATOM 615 C LYS A 70 88.322 67.701 7.314 1.00 18.75 C ATOM 616 O LYS A 70 87.629 68.693 7.075 1.00 21.57 O ATOM 617 CB LYS A 70 90.514 67.796 6.121 1.00 21.96 C ATOM 618 H LYS A 70 88.652 67.862 4.298 1.00 0.00 H ATOM 619 N ALA A 71 88.368 67.111 8.506 1.00 16.36 N ATOM 620 CA ALA A 71 87.781 67.694 9.700 1.00 18.39 C ATOM 621 C ALA A 71 88.756 67.505 10.849 1.00 22.08 C ATOM 622 O ALA A 71 89.632 66.637 10.808 1.00 19.90 O ATOM 623 CB ALA A 71 86.423 67.057 10.039 1.00 18.14 C ATOM 624 H ALA A 71 88.846 66.191 8.586 1.00 0.00 H ATOM 625 N ILE A 72 88.605 68.341 11.873 1.00 15.07 N ATOM 626 CA ILE A 72 89.366 68.211 13.111 1.00 17.05 C ATOM 627 C ILE A 72 88.395 68.451 14.254 1.00 17.90 C ATOM 628 O ILE A 72 87.916 69.576 14.437 1.00 19.22 O ATOM 629 CB ILE A 72 90.544 69.193 13.201 1.00 20.08 C ATOM 630 CG1 ILE A 72 91.460 69.052 11.983 1.00 21.41 C ATOM 631 CG2 ILE A 72 91.309 68.960 14.502 1.00 20.65 C ATOM 632 CD1 ILE A 72 92.569 70.108 11.917 1.00 28.07 C ATOM 633 H ILE A 72 87.918 69.117 11.788 1.00 0.00 H ATOM 634 N GLY A 73 88.114 67.418 15.032 1.00 15.29 N ATOM 635 CA GLY A 73 87.110 67.567 16.061 1.00 18.71 C ATOM 636 C GLY A 73 87.127 66.416 17.037 1.00 20.79 C ATOM 637 O GLY A 73 88.036 65.583 17.039 1.00 21.12 O ATOM 638 H GLY A 73 88.609 66.512 14.905 1.00 0.00 H ATOM 639 N THR A 74 86.094 66.389 17.870 1.00 19.47 N ATOM 640 CA THR A 74 85.987 65.395 18.922 1.00 18.87 C ATOM 641 C THR A 74 85.526 64.068 18.347 1.00 18.91 C ATOM 642 O THR A 74 84.642 64.017 17.487 1.00 15.36 O ATOM 643 CB THR A 74 85.016 65.868 20.003 1.00 20.72 C ATOM 644 OG1 THR A 74 85.550 67.039 20.626 1.00 23.02 O ATOM 645 CG2 THR A 74 84.791 64.796 21.064 1.00 25.97 C ATOM 646 HG1 THR A 74 86.426 66.824 21.034 1.00 0.00 H ATOM 647 H THR A 74 85.341 67.099 17.766 1.00 0.00 H ATOM 648 N VAL A 75 86.145 62.992 18.824 1.00 18.76 N ATOM 649 CA VAL A 75 85.818 61.637 18.409 1.00 18.20 C ATOM 650 C VAL A 75 85.669 60.804 19.673 1.00 18.64 C ATOM 651 O VAL A 75 86.581 60.765 20.509 1.00 15.59 O ATOM 652 CB VAL A 75 86.890 61.046 17.479 1.00 25.19 C ATOM 653 CG1 VAL A 75 86.623 59.569 17.203 1.00 18.90 C ATOM 654 CG2 VAL A 75 86.939 61.836 16.171 1.00 23.05 C ATOM 655 H VAL A 75 86.899 63.126 19.528 1.00 0.00 H ATOM 656 N LEU A 76 84.517 60.170 19.825 1.00 14.84 N ATOM 657 CA LEU A 76 84.248 59.286 20.947 1.00 18.04 C ATOM 658 C LEU A 76 84.467 57.850 20.497 1.00 16.46 C ATOM 659 O LEU A 76 84.064 57.469 19.395 1.00 17.92 O ATOM 660 CB LEU A 76 82.818 59.477 21.454 1.00 17.78 C ATOM 661 CG LEU A 76 82.412 60.937 21.672 1.00 17.82 C ATOM 662 CD1 LEU A 76 80.992 61.023 22.182 1.00 16.06 C ATOM 663 CD2 LEU A 76 83.350 61.614 22.645 1.00 18.22 C ATOM 664 H LEU A 76 83.773 60.310 19.112 1.00 0.00 H ATOM 665 N VAL A 77 85.125 57.064 21.344 1.00 14.99 N ATOM 666 CA VAL A 77 85.464 55.680 21.035 1.00 13.85 C ATOM 667 C VAL A 77 84.839 54.793 22.101 1.00 16.63 C ATOM 668 O VAL A 77 85.040 55.016 23.299 1.00 15.38 O ATOM 669 CB VAL A 77 86.990 55.478 20.953 1.00 19.52 C ATOM 670 CG1 VAL A 77 87.331 54.020 20.691 1.00 20.86 C ATOM 671 CG2 VAL A 77 87.577 56.352 19.863 1.00 22.50 C ATOM 672 H VAL A 77 85.410 57.453 22.266 1.00 0.00 H ATOM 673 N GLY A 78 84.064 53.804 21.665 1.00 21.07 N ATOM 674 CA GLY A 78 83.390 52.915 22.579 1.00 21.29 C ATOM 675 C GLY A 78 82.497 51.921 21.868 1.00 16.12 C ATOM 676 O GLY A 78 82.501 51.825 20.638 1.00 17.95 O ATOM 677 H GLY A 78 83.941 53.669 20.641 1.00 0.00 H ATOM 678 N PRO A 79 81.715 51.153 22.638 1.00 21.44 N ATOM 679 CA PRO A 79 80.884 50.069 22.077 1.00 20.08 C ATOM 680 C PRO A 79 79.637 50.576 21.361 1.00 15.87 C ATOM 681 O PRO A 79 78.496 50.271 21.733 1.00 20.05 O ATOM 682 CB PRO A 79 80.548 49.239 23.324 1.00 21.12 C ATOM 683 CG PRO A 79 80.593 50.211 24.444 1.00 19.90 C ATOM 684 CD PRO A 79 81.707 51.145 24.112 1.00 21.54 C ATOM 685 N THR A 80 79.854 51.354 20.302 1.00 21.83 N ATOM 686 CA THR A 80 78.768 51.710 19.409 1.00 14.21 C ATOM 687 C THR A 80 78.515 50.563 18.436 1.00 13.70 C ATOM 688 O THR A 80 79.444 49.839 18.067 1.00 18.08 O ATOM 689 CB THR A 80 79.092 52.983 18.626 1.00 13.49 C ATOM 690 OG1 THR A 80 78.067 53.222 17.657 1.00 16.55 O ATOM 691 CG2 THR A 80 80.442 52.876 17.910 1.00 18.05 C ATOM 692 HG1 THR A 80 78.018 52.454 17.034 1.00 0.00 H ATOM 693 H THR A 80 80.813 51.710 20.113 1.00 0.00 H ATOM 694 N PRO A 81 77.264 50.363 18.020 1.00 13.85 N ATOM 695 CA PRO A 81 76.990 49.292 17.050 1.00 15.94 C ATOM 696 C PRO A 81 77.709 49.468 15.728 1.00 17.00 C ATOM 697 O PRO A 81 78.037 48.469 15.080 1.00 16.66 O ATOM 698 CB PRO A 81 75.466 49.364 16.867 1.00 24.96 C ATOM 699 CG PRO A 81 75.089 50.722 17.319 1.00 21.96 C ATOM 700 CD PRO A 81 76.033 51.050 18.432 1.00 16.07 C ATOM 701 N VAL A 82 77.937 50.704 15.287 1.00 15.62 N ATOM 702 CA VAL A 82 78.635 50.964 14.033 1.00 16.44 C ATOM 703 C VAL A 82 79.339 52.309 14.158 1.00 19.12 C ATOM 704 O VAL A 82 78.938 53.168 14.950 1.00 15.16 O ATOM 705 CB VAL A 82 77.676 50.950 12.812 1.00 24.15 C ATOM 706 CG1 VAL A 82 76.915 49.618 12.704 1.00 31.51 C ATOM 707 CG2 VAL A 82 76.689 52.103 12.872 1.00 28.75 C ATOM 708 H VAL A 82 77.607 51.510 15.855 1.00 0.00 H ATOM 709 N ASN A 83 80.407 52.485 13.382 1.00 15.03 N ATOM 710 CA ASN A 83 81.043 53.793 13.280 1.00 15.52 C ATOM 711 C ASN A 83 80.053 54.799 12.717 1.00 15.52 C ATOM 712 O ASN A 83 79.528 54.607 11.615 1.00 15.90 O ATOM 713 CB ASN A 83 82.273 53.728 12.371 1.00 15.02 C ATOM 714 CG ASN A 83 83.346 52.801 12.890 1.00 16.81 C ATOM 715 OD1 ASN A 83 83.618 52.747 14.087 1.00 17.53 O ATOM 716 ND2 ASN A 83 83.973 52.068 11.977 1.00 17.91 N ATOM 717 HD22 ASN A 83 83.708 52.148 10.975 1.00 0.00 H ATOM 718 HD21 ASN A 83 84.729 51.414 12.265 1.00 0.00 H ATOM 719 H ASN A 83 80.791 51.682 12.844 1.00 0.00 H ATOM 720 N ILE A 84 79.816 55.887 13.448 1.00 12.52 N ATOM 721 CA ILE A 84 78.909 56.933 12.995 1.00 9.39 C ATOM 722 C ILE A 84 79.634 58.269 12.978 1.00 13.54 C ATOM 723 O ILE A 84 80.381 58.602 13.906 1.00 11.92 O ATOM 724 CB ILE A 84 77.636 57.018 13.864 1.00 10.88 C ATOM 725 CG1 ILE A 84 77.983 57.245 15.341 1.00 12.93 C ATOM 726 CG2 ILE A 84 76.814 55.748 13.680 1.00 13.43 C ATOM 727 CD1 ILE A 84 76.774 57.497 16.206 1.00 13.72 C ATOM 728 H ILE A 84 80.291 55.993 14.367 1.00 0.00 H ATOM 729 N ILE A 85 79.410 59.028 11.908 1.00 15.11 N ATOM 730 CA ILE A 85 79.880 60.403 11.794 1.00 13.39 C ATOM 731 C ILE A 85 78.710 61.316 12.115 1.00 11.09 C ATOM 732 O ILE A 85 77.710 61.334 11.386 1.00 10.77 O ATOM 733 CB ILE A 85 80.427 60.704 10.390 1.00 15.66 C ATOM 734 CG1 ILE A 85 81.472 59.667 9.988 1.00 12.15 C ATOM 735 CG2 ILE A 85 81.018 62.105 10.341 1.00 11.04 C ATOM 736 CD1 ILE A 85 82.651 59.595 10.926 1.00 16.59 C ATOM 737 H ILE A 85 78.874 58.621 11.115 1.00 0.00 H ATOM 738 N GLY A 86 78.842 62.083 13.198 1.00 12.37 N ATOM 739 CA GLY A 86 77.788 62.955 13.663 1.00 15.22 C ATOM 740 C GLY A 86 77.982 64.398 13.221 1.00 12.44 C ATOM 741 O GLY A 86 78.918 64.746 12.508 1.00 11.14 O ATOM 742 H GLY A 86 79.737 62.052 13.727 1.00 0.00 H ATOM 743 N ARG A 87 77.066 65.252 13.695 1.00 14.16 N ATOM 744 CA ARG A 87 76.972 66.611 13.173 1.00 15.34 C ATOM 745 C ARG A 87 78.208 67.437 13.504 1.00 12.29 C ATOM 746 O ARG A 87 78.530 68.379 12.770 1.00 14.88 O ATOM 747 CB ARG A 87 75.705 67.298 13.697 1.00 12.74 C ATOM 748 CG ARG A 87 74.416 66.721 13.106 1.00 13.44 C ATOM 749 CD ARG A 87 73.156 67.491 13.519 1.00 11.03 C ATOM 750 NE ARG A 87 72.976 67.481 14.964 1.00 14.53 N ATOM 751 CZ ARG A 87 73.348 68.460 15.787 1.00 17.26 C ATOM 752 NH1 ARG A 87 73.916 69.565 15.323 1.00 13.91 N ATOM 753 NH2 ARG A 87 73.156 68.322 17.091 1.00 14.93 N ATOM 754 HE ARG A 87 72.522 66.646 15.386 1.00 0.00 H ATOM 755 HH12 ARG A 87 74.200 70.319 15.980 1.00 0.00 H ATOM 756 HH11 ARG A 87 74.077 69.677 14.302 1.00 0.00 H ATOM 757 HH22 ARG A 87 73.443 69.081 17.742 1.00 0.00 H ATOM 758 HH21 ARG A 87 72.718 67.455 17.463 1.00 0.00 H ATOM 759 H ARG A 87 76.414 64.943 14.444 1.00 0.00 H ATOM 760 N ASN A 88 78.920 67.104 14.583 1.00 12.29 N ATOM 761 CA ASN A 88 80.107 67.878 14.929 1.00 11.61 C ATOM 762 C ASN A 88 81.130 67.853 13.800 1.00 14.68 C ATOM 763 O ASN A 88 81.851 68.835 13.596 1.00 15.05 O ATOM 764 CB ASN A 88 80.722 67.364 16.236 1.00 12.63 C ATOM 765 CG ASN A 88 81.347 65.981 16.098 1.00 12.88 C ATOM 766 OD1 ASN A 88 80.727 65.043 15.589 1.00 14.00 O ATOM 767 ND2 ASN A 88 82.580 65.851 16.558 1.00 14.70 N ATOM 768 HD22 ASN A 88 83.066 66.668 16.980 1.00 0.00 H ATOM 769 HD21 ASN A 88 83.063 64.932 16.498 1.00 0.00 H ATOM 770 H ASN A 88 78.630 66.298 15.173 1.00 0.00 H ATOM 771 N LEU A 89 81.191 66.758 13.039 1.00 13.18 N ATOM 772 CA LEU A 89 82.068 66.675 11.880 1.00 15.60 C ATOM 773 C LEU A 89 81.338 66.882 10.562 1.00 12.66 C ATOM 774 O LEU A 89 81.940 67.384 9.605 1.00 13.27 O ATOM 775 CB LEU A 89 82.783 65.315 11.848 1.00 17.08 C ATOM 776 CG LEU A 89 83.611 64.980 13.093 1.00 16.80 C ATOM 777 CD1 LEU A 89 84.301 63.626 12.930 1.00 16.86 C ATOM 778 CD2 LEU A 89 84.632 66.081 13.391 1.00 20.18 C ATOM 779 H LEU A 89 80.595 65.941 13.281 1.00 0.00 H ATOM 780 N LEU A 90 80.057 66.518 10.486 1.00 12.00 N ATOM 781 CA LEU A 90 79.319 66.721 9.249 1.00 11.50 C ATOM 782 C LEU A 90 79.262 68.202 8.896 1.00 17.12 C ATOM 783 O LEU A 90 79.311 68.568 7.716 1.00 13.86 O ATOM 784 CB LEU A 90 77.911 66.138 9.367 1.00 11.87 C ATOM 785 CG LEU A 90 77.790 64.614 9.489 1.00 15.85 C ATOM 786 CD1 LEU A 90 76.354 64.223 9.685 1.00 13.49 C ATOM 787 CD2 LEU A 90 78.348 63.903 8.270 1.00 13.67 C ATOM 788 H LEU A 90 79.587 66.090 11.309 1.00 0.00 H ATOM 789 N THR A 91 79.162 69.069 9.908 1.00 13.74 N ATOM 790 CA THR A 91 79.172 70.506 9.648 1.00 13.66 C ATOM 791 C THR A 91 80.508 70.944 9.063 1.00 17.35 C ATOM 792 O THR A 91 80.548 71.778 8.152 1.00 16.61 O ATOM 793 CB THR A 91 78.866 71.289 10.930 1.00 18.14 C ATOM 794 OG1 THR A 91 79.766 70.893 11.969 1.00 15.53 O ATOM 795 CG2 THR A 91 77.438 71.056 11.384 1.00 15.39 C ATOM 796 HG1 THR A 91 79.660 69.924 12.144 1.00 0.00 H ATOM 797 H THR A 91 79.077 68.719 10.884 1.00 0.00 H ATOM 798 N GLN A 92 81.612 70.367 9.550 1.00 15.94 N ATOM 799 CA GLN A 92 82.937 70.794 9.103 1.00 18.11 C ATOM 800 C GLN A 92 83.178 70.486 7.630 1.00 21.63 C ATOM 801 O GLN A 92 83.896 71.229 6.955 1.00 20.18 O ATOM 802 CB GLN A 92 84.020 70.131 9.952 1.00 14.74 C ATOM 803 CG GLN A 92 84.042 70.582 11.402 1.00 14.31 C ATOM 804 CD GLN A 92 85.352 70.252 12.100 1.00 15.94 C ATOM 805 OE1 GLN A 92 86.367 69.984 11.457 1.00 21.46 O ATOM 806 NE2 GLN A 92 85.332 70.265 13.424 1.00 16.71 N ATOM 807 HE22 GLN A 92 84.453 70.497 13.929 1.00 0.00 H ATOM 808 HE21 GLN A 92 86.196 70.043 13.959 1.00 0.00 H ATOM 809 H GLN A 92 81.527 69.606 10.254 1.00 0.00 H ATOM 810 N ILE A 93 82.621 69.388 7.110 1.00 17.16 N ATOM 811 CA ILE A 93 82.805 69.073 5.698 1.00 19.52 C ATOM 812 C ILE A 93 81.739 69.716 4.814 1.00 19.57 C ATOM 813 O ILE A 93 81.733 69.484 3.596 1.00 16.75 O ATOM 814 CB ILE A 93 82.851 67.545 5.483 1.00 20.84 C ATOM 815 CG1 ILE A 93 81.530 66.893 5.881 1.00 22.66 C ATOM 816 CG2 ILE A 93 84.008 66.944 6.286 1.00 20.48 C ATOM 817 CD1 ILE A 93 81.425 65.445 5.453 1.00 19.19 C ATOM 818 H ILE A 93 82.055 68.757 7.713 1.00 0.00 H ATOM 819 N GLY A 94 80.847 70.529 5.380 1.00 18.93 N ATOM 820 CA GLY A 94 79.867 71.247 4.581 1.00 18.08 C ATOM 821 C GLY A 94 78.630 70.453 4.230 1.00 23.97 C ATOM 822 O GLY A 94 77.954 70.773 3.246 1.00 16.41 O ATOM 823 H GLY A 94 80.852 70.652 6.413 1.00 0.00 H ATOM 824 N CYS A 95 78.292 69.451 5.035 1.00 17.89 N ATOM 825 CA CYS A 95 77.194 68.548 4.730 1.00 16.35 C ATOM 826 C CYS A 95 75.852 69.167 5.114 1.00 17.02 C ATOM 827 O CYS A 95 75.689 69.700 6.216 1.00 23.66 O ATOM 828 CB CYS A 95 77.410 67.219 5.461 1.00 19.74 C ATOM 829 SG CYS A 95 76.328 65.898 4.924 1.00 26.37 S ATOM 830 H CYS A 95 78.831 69.308 5.913 1.00 0.00 H ATOM 831 N THR A 96 74.896 69.107 4.190 1.00 16.01 N ATOM 832 CA THR A 96 73.527 69.532 4.434 1.00 14.68 C ATOM 833 C THR A 96 72.562 68.462 3.941 1.00 17.22 C ATOM 834 O THR A 96 72.909 67.605 3.127 1.00 17.70 O ATOM 835 CB THR A 96 73.193 70.846 3.723 1.00 16.72 C ATOM 836 OG1 THR A 96 73.258 70.643 2.306 1.00 21.72 O ATOM 837 CG2 THR A 96 74.158 71.954 4.135 1.00 21.39 C ATOM 838 HG1 THR A 96 74.171 70.352 2.057 1.00 0.00 H ATOM 839 H THR A 96 75.140 68.739 3.248 1.00 0.00 H ATOM 840 N LEU A 97 71.340 68.526 4.451 1.00 15.47 N ATOM 841 CA LEU A 97 70.232 67.740 3.930 1.00 14.90 C ATOM 842 C LEU A 97 69.438 68.591 2.953 1.00 22.05 C ATOM 843 O LEU A 97 69.254 69.792 3.173 1.00 16.39 O ATOM 844 CB LEU A 97 69.325 67.263 5.060 1.00 15.31 C ATOM 845 CG LEU A 97 69.892 66.172 5.964 1.00 9.25 C ATOM 846 CD1 LEU A 97 69.060 66.070 7.235 1.00 19.76 C ATOM 847 CD2 LEU A 97 69.921 64.849 5.236 1.00 17.94 C ATOM 848 H LEU A 97 71.167 69.163 5.255 1.00 0.00 H ATOM 849 N ASN A 98 68.958 67.963 1.880 1.00 19.41 N ATOM 850 CA ASN A 98 68.265 68.677 0.817 1.00 20.31 C ATOM 851 C ASN A 98 67.120 67.832 0.281 1.00 20.49 C ATOM 852 O ASN A 98 67.310 66.653 -0.028 1.00 27.27 O ATOM 853 CB ASN A 98 69.226 69.025 -0.324 1.00 19.21 C ATOM 854 CG ASN A 98 70.373 69.911 0.128 1.00 24.15 C ATOM 855 OD1 ASN A 98 70.296 71.136 0.038 1.00 27.25 O ATOM 856 ND2 ASN A 98 71.449 69.294 0.607 1.00 20.19 N ATOM 857 HD22 ASN A 98 71.470 68.256 0.665 1.00 0.00 H ATOM 858 HD21 ASN A 98 72.269 69.850 0.924 1.00 0.00 H ATOM 859 H ASN A 98 69.082 66.934 1.800 1.00 0.00 H ATOM 860 N PHE A 99 65.946 68.439 0.154 1.00 24.32 N ATOM 861 CA PHE A 99 64.807 67.770 -0.466 1.00 30.49 C ATOM 862 C PHE A 99 63.870 68.786 -1.113 1.00 35.33 C ATOM 863 O PHE A 99 62.839 68.416 -1.673 1.00 35.81 O ATOM 864 CB PHE A 99 64.047 66.911 0.556 1.00 30.02 C ATOM 865 CG PHE A 99 63.526 67.672 1.739 1.00 28.40 C ATOM 866 CD1 PHE A 99 64.344 67.933 2.822 1.00 29.04 C ATOM 867 CD2 PHE A 99 62.208 68.091 1.785 1.00 31.26 C ATOM 868 CE1 PHE A 99 63.865 68.624 3.920 1.00 32.01 C ATOM 869 CE2 PHE A 99 61.722 68.779 2.879 1.00 35.72 C ATOM 870 CZ PHE A 99 62.554 69.045 3.949 1.00 38.18 C ATOM 871 OXT PHE A 99 64.123 69.992 -1.101 1.00 33.61 O ATOM 872 H PHE A 99 65.836 69.412 0.504 1.00 0.00 H TER 873 PHE A 99 ATOM 874 N PRO B 1 63.672 72.378 0.639 1.00 36.65 N ATOM 875 CA PRO B 1 64.649 73.298 1.231 1.00 32.28 C ATOM 876 C PRO B 1 66.013 72.660 1.470 1.00 32.14 C ATOM 877 O PRO B 1 66.233 71.495 1.132 1.00 25.72 O ATOM 878 CB PRO B 1 63.996 73.681 2.562 1.00 38.32 C ATOM 879 CG PRO B 1 63.189 72.490 2.924 1.00 38.24 C ATOM 880 CD PRO B 1 62.661 71.951 1.622 1.00 31.77 C ATOM 881 HN2 PRO B 1 64.172 71.538 0.283 1.00 0.00 H ATOM 882 HN1 PRO B 1 63.194 72.856 -0.151 1.00 0.00 H ATOM 883 N GLN B 2 66.925 73.435 2.045 1.00 27.08 N ATOM 884 CA GLN B 2 68.233 72.947 2.453 1.00 24.51 C ATOM 885 C GLN B 2 68.366 73.124 3.957 1.00 29.47 C ATOM 886 O GLN B 2 68.098 74.208 4.486 1.00 26.12 O ATOM 887 CB GLN B 2 69.360 73.692 1.734 1.00 29.01 C ATOM 888 CG GLN B 2 70.742 73.342 2.260 1.00 30.29 C ATOM 889 CD GLN B 2 71.850 74.089 1.557 1.00 29.81 C ATOM 890 OE1 GLN B 2 72.350 75.097 2.058 1.00 36.30 O ATOM 891 NE2 GLN B 2 72.249 73.595 0.396 1.00 32.60 N ATOM 892 HE22 GLN B 2 71.797 72.741 0.011 1.00 0.00 H ATOM 893 HE21 GLN B 2 73.014 74.061 -0.132 1.00 0.00 H ATOM 894 H GLN B 2 66.694 74.435 2.211 1.00 0.00 H ATOM 895 N ILE B 3 68.784 72.068 4.641 1.00 22.24 N ATOM 896 CA ILE B 3 68.887 72.073 6.094 1.00 23.08 C ATOM 897 C ILE B 3 70.352 71.921 6.459 1.00 25.35 C ATOM 898 O ILE B 3 70.978 70.906 6.129 1.00 14.94 O ATOM 899 CB ILE B 3 68.036 70.961 6.723 1.00 22.84 C ATOM 900 CG1 ILE B 3 66.573 71.141 6.317 1.00 27.42 C ATOM 901 CG2 ILE B 3 68.168 70.971 8.243 1.00 24.53 C ATOM 902 CD1 ILE B 3 65.680 70.009 6.728 1.00 30.14 C ATOM 903 H ILE B 3 69.048 71.206 4.122 1.00 0.00 H ATOM 904 N THR B 4 70.903 72.933 7.124 1.00 17.70 N ATOM 905 CA THR B 4 72.246 72.813 7.659 1.00 15.57 C ATOM 906 C THR B 4 72.192 72.011 8.956 1.00 15.46 C ATOM 907 O THR B 4 71.122 71.760 9.516 1.00 17.83 O ATOM 908 CB THR B 4 72.870 74.195 7.879 1.00 22.31 C ATOM 909 OG1 THR B 4 72.050 74.965 8.765 1.00 26.93 O ATOM 910 CG2 THR B 4 73.009 74.939 6.552 1.00 23.96 C ATOM 911 HG1 THR B 4 72.460 75.856 8.902 1.00 0.00 H ATOM 912 H THR B 4 70.368 73.814 7.261 1.00 0.00 H ATOM 913 N LEU B 5 73.362 71.589 9.431 1.00 13.63 N ATOM 914 CA LEU B 5 73.434 70.663 10.553 1.00 16.07 C ATOM 915 C LEU B 5 74.095 71.280 11.780 1.00 15.21 C ATOM 916 O LEU B 5 74.596 70.550 12.642 1.00 11.49 O ATOM 917 CB LEU B 5 74.165 69.389 10.126 1.00 18.60 C ATOM 918 CG LEU B 5 73.483 68.661 8.963 1.00 18.05 C ATOM 919 CD1 LEU B 5 74.368 67.573 8.392 1.00 19.10 C ATOM 920 CD2 LEU B 5 72.140 68.076 9.391 1.00 17.18 C ATOM 921 H LEU B 5 74.242 71.927 8.992 1.00 0.00 H ATOM 922 N TRP B 6 74.099 72.613 11.879 1.00 15.80 N ATOM 923 CA TRP B 6 74.550 73.264 13.105 1.00 15.09 C ATOM 924 C TRP B 6 73.728 72.809 14.301 1.00 14.96 C ATOM 925 O TRP B 6 74.252 72.696 15.417 1.00 17.36 O ATOM 926 CB TRP B 6 74.452 74.784 12.970 1.00 17.59 C ATOM 927 CG TRP B 6 75.365 75.398 11.940 1.00 16.51 C ATOM 928 CD1 TRP B 6 74.996 76.003 10.773 1.00 18.84 C ATOM 929 CD2 TRP B 6 76.796 75.480 11.998 1.00 16.50 C ATOM 930 NE1 TRP B 6 76.107 76.458 10.104 1.00 19.07 N ATOM 931 CE2 TRP B 6 77.224 76.150 10.835 1.00 19.06 C ATOM 932 CE3 TRP B 6 77.754 75.059 12.924 1.00 20.74 C ATOM 933 CZ2 TRP B 6 78.568 76.403 10.571 1.00 25.95 C ATOM 934 CZ3 TRP B 6 79.088 75.313 12.661 1.00 23.29 C ATOM 935 CH2 TRP B 6 79.482 75.980 11.498 1.00 17.28 C ATOM 936 HE1 TRP B 6 76.101 76.956 9.191 1.00 0.00 H ATOM 937 H TRP B 6 73.778 73.191 11.076 1.00 0.00 H ATOM 938 N LYS B 7 72.442 72.554 14.093 1.00 13.57 N ATOM 939 CA LYS B 7 71.560 72.074 15.141 1.00 13.27 C ATOM 940 C LYS B 7 70.845 70.834 14.627 1.00 14.13 C ATOM 941 O LYS B 7 70.944 70.478 13.451 1.00 15.26 O ATOM 942 CB LYS B 7 70.558 73.165 15.569 1.00 19.13 C ATOM 943 CG LYS B 7 69.478 73.474 14.549 1.00 21.81 C ATOM 944 CD LYS B 7 68.729 74.763 14.891 1.00 31.32 C ATOM 945 CE LYS B 7 67.235 74.654 14.619 1.00 36.97 C ATOM 946 NZ LYS B 7 66.925 74.049 13.294 1.00 52.42 N ATOM 947 HZ1 LYS B 7 67.341 74.634 12.541 1.00 0.00 H ATOM 948 HZ2 LYS B 7 67.325 73.090 13.250 1.00 0.00 H ATOM 949 HZ3 LYS B 7 65.894 74.002 13.168 1.00 0.00 H ATOM 950 H LYS B 7 72.051 72.704 13.141 1.00 0.00 H ATOM 951 N ARG B 8 70.128 70.168 15.523 1.00 13.63 N ATOM 952 CA ARG B 8 69.464 68.927 15.158 1.00 14.79 C ATOM 953 C ARG B 8 68.479 69.178 14.016 1.00 13.96 C ATOM 954 O ARG B 8 67.757 70.180 14.030 1.00 13.97 O ATOM 955 CB ARG B 8 68.730 68.343 16.365 1.00 16.16 C ATOM 956 CG ARG B 8 69.655 67.890 17.481 1.00 20.27 C ATOM 957 CD ARG B 8 68.910 67.089 18.549 1.00 19.98 C ATOM 958 NE ARG B 8 69.819 66.482 19.520 1.00 30.87 N ATOM 959 CZ ARG B 8 69.468 65.535 20.389 1.00 41.83 C ATOM 960 NH1 ARG B 8 68.223 65.076 20.410 1.00 32.49 N ATOM 961 NH2 ARG B 8 70.364 65.042 21.237 1.00 28.39 N ATOM 962 HE ARG B 8 70.805 66.811 19.533 1.00 0.00 H ATOM 963 HH12 ARG B 8 67.953 64.337 21.090 1.00 0.00 H ATOM 964 HH11 ARG B 8 67.518 65.456 19.747 1.00 0.00 H ATOM 965 HH22 ARG B 8 70.087 64.303 21.914 1.00 0.00 H ATOM 966 HH21 ARG B 8 71.342 65.395 21.224 1.00 0.00 H ATOM 967 H ARG B 8 70.040 70.536 16.492 1.00 0.00 H ATOM 968 N PRO B 9 68.431 68.305 13.003 1.00 11.46 N ATOM 969 CA PRO B 9 67.496 68.544 11.884 1.00 13.91 C ATOM 970 C PRO B 9 66.071 68.112 12.209 1.00 14.59 C ATOM 971 O PRO B 9 65.537 67.119 11.694 1.00 15.36 O ATOM 972 CB PRO B 9 68.124 67.723 10.755 1.00 13.15 C ATOM 973 CG PRO B 9 68.759 66.580 11.449 1.00 15.81 C ATOM 974 CD PRO B 9 69.319 67.161 12.734 1.00 15.43 C ATOM 975 N LEU B 10 65.429 68.887 13.079 1.00 12.63 N ATOM 976 CA LEU B 10 64.070 68.613 13.526 1.00 15.08 C ATOM 977 C LEU B 10 63.068 69.274 12.588 1.00 23.16 C ATOM 978 O LEU B 10 63.215 70.448 12.236 1.00 17.48 O ATOM 979 CB LEU B 10 63.863 69.120 14.953 1.00 16.78 C ATOM 980 CG LEU B 10 64.590 68.361 16.058 1.00 16.58 C ATOM 981 CD1 LEU B 10 64.481 69.114 17.369 1.00 24.78 C ATOM 982 CD2 LEU B 10 64.008 66.963 16.183 1.00 19.19 C ATOM 983 H LEU B 10 65.918 69.724 13.456 1.00 0.00 H ATOM 984 N VAL B 11 62.043 68.519 12.198 1.00 16.27 N ATOM 985 CA VAL B 11 60.984 69.016 11.331 1.00 16.56 C ATOM 986 C VAL B 11 59.644 68.561 11.893 1.00 20.08 C ATOM 987 O VAL B 11 59.558 67.608 12.672 1.00 19.90 O ATOM 988 CB VAL B 11 61.144 68.525 9.872 1.00 17.96 C ATOM 989 CG1 VAL B 11 62.461 69.031 9.274 1.00 22.15 C ATOM 990 CG2 VAL B 11 61.071 67.004 9.807 1.00 18.27 C ATOM 991 H VAL B 11 61.997 67.533 12.526 1.00 0.00 H ATOM 992 N THR B 12 58.589 69.253 11.480 1.00 15.73 N ATOM 993 CA THR B 12 57.236 68.856 11.843 1.00 15.35 C ATOM 994 C THR B 12 56.751 67.753 10.916 1.00 16.37 C ATOM 995 O THR B 12 56.950 67.809 9.702 1.00 18.25 O ATOM 996 CB THR B 12 56.278 70.048 11.768 1.00 22.34 C ATOM 997 OG1 THR B 12 56.760 71.100 12.610 1.00 16.54 O ATOM 998 CG2 THR B 12 54.872 69.650 12.215 1.00 17.61 C ATOM 999 HG1 THR B 12 56.140 71.870 12.561 1.00 0.00 H ATOM 1000 H THR B 12 58.732 70.095 10.886 1.00 0.00 H ATOM 1001 N ILE B 13 56.114 66.745 11.504 1.00 14.23 N ATOM 1002 CA ILE B 13 55.501 65.659 10.759 1.00 17.26 C ATOM 1003 C ILE B 13 54.052 65.546 11.198 1.00 19.85 C ATOM 1004 O ILE B 13 53.669 65.991 12.282 1.00 19.63 O ATOM 1005 CB ILE B 13 56.222 64.314 10.970 1.00 14.74 C ATOM 1006 CG1 ILE B 13 56.128 63.883 12.442 1.00 16.78 C ATOM 1007 CG2 ILE B 13 57.665 64.436 10.538 1.00 22.71 C ATOM 1008 CD1 ILE B 13 56.608 62.485 12.714 1.00 22.02 C ATOM 1009 H ILE B 13 56.052 66.734 12.542 1.00 0.00 H ATOM 1010 N LYS B 14 53.249 64.934 10.337 1.00 14.35 N ATOM 1011 CA LYS B 14 51.858 64.628 10.639 1.00 20.55 C ATOM 1012 C LYS B 14 51.657 63.130 10.475 1.00 18.89 C ATOM 1013 O LYS B 14 51.881 62.590 9.386 1.00 19.75 O ATOM 1014 CB LYS B 14 50.904 65.404 9.728 1.00 25.23 C ATOM 1015 CG LYS B 14 49.430 65.116 10.008 1.00 26.73 C ATOM 1016 CD LYS B 14 48.513 66.138 9.349 1.00 30.26 C ATOM 1017 CE LYS B 14 48.203 65.779 7.910 1.00 39.78 C ATOM 1018 NZ LYS B 14 47.328 66.802 7.264 1.00 45.62 N ATOM 1019 HZ1 LYS B 14 46.431 66.869 7.786 1.00 0.00 H ATOM 1020 HZ2 LYS B 14 47.808 67.725 7.277 1.00 0.00 H ATOM 1021 HZ3 LYS B 14 47.138 66.522 6.281 1.00 0.00 H ATOM 1022 H LYS B 14 53.629 64.662 9.408 1.00 0.00 H ATOM 1023 N ILE B 15 51.257 62.463 11.556 1.00 19.98 N ATOM 1024 CA ILE B 15 51.013 61.023 11.550 1.00 21.93 C ATOM 1025 C ILE B 15 49.851 60.714 12.482 1.00 25.97 C ATOM 1026 O ILE B 15 49.766 61.256 13.589 1.00 23.83 O ATOM 1027 CB ILE B 15 52.253 60.211 11.975 1.00 22.49 C ATOM 1028 CG1 ILE B 15 51.884 58.716 12.025 1.00 29.01 C ATOM 1029 CG2 ILE B 15 52.779 60.712 13.311 1.00 27.23 C ATOM 1030 CD1 ILE B 15 52.978 57.813 12.437 1.00 32.44 C ATOM 1031 H ILE B 15 51.112 62.989 12.441 1.00 0.00 H ATOM 1032 N GLY B 16 48.976 59.808 12.045 1.00 25.21 N ATOM 1033 CA GLY B 16 47.838 59.402 12.846 1.00 32.76 C ATOM 1034 C GLY B 16 47.005 60.570 13.328 1.00 27.19 C ATOM 1035 O GLY B 16 46.456 60.537 14.434 1.00 28.71 O ATOM 1036 H GLY B 16 49.113 59.382 11.106 1.00 0.00 H ATOM 1037 N GLY B 17 46.909 61.614 12.507 1.00 26.49 N ATOM 1038 CA GLY B 17 46.167 62.798 12.885 1.00 23.40 C ATOM 1039 C GLY B 17 46.828 63.671 13.926 1.00 31.38 C ATOM 1040 O GLY B 17 46.165 64.550 14.487 1.00 26.87 O ATOM 1041 H GLY B 17 47.375 61.578 11.578 1.00 0.00 H ATOM 1042 N GLN B 18 48.116 63.469 14.200 1.00 27.55 N ATOM 1043 CA GLN B 18 48.844 64.268 15.174 1.00 23.81 C ATOM 1044 C GLN B 18 50.047 64.925 14.512 1.00 23.24 C ATOM 1045 O GLN B 18 50.658 64.363 13.598 1.00 23.25 O ATOM 1046 CB GLN B 18 49.319 63.413 16.357 1.00 29.77 C ATOM 1047 CG GLN B 18 48.203 62.843 17.217 1.00 31.47 C ATOM 1048 CD GLN B 18 48.727 62.185 18.482 1.00 42.16 C ATOM 1049 OE1 GLN B 18 49.515 61.238 18.426 1.00 42.16 O ATOM 1050 NE2 GLN B 18 48.301 62.695 19.632 1.00 44.14 N ATOM 1051 HE22 GLN B 18 47.636 63.494 19.632 1.00 0.00 H ATOM 1052 HE21 GLN B 18 48.633 62.295 20.533 1.00 0.00 H ATOM 1053 H GLN B 18 48.621 62.711 13.698 1.00 0.00 H ATOM 1054 N LEU B 19 50.380 66.127 14.977 1.00 20.66 N ATOM 1055 CA LEU B 19 51.605 66.806 14.574 1.00 21.99 C ATOM 1056 C LEU B 19 52.679 66.552 15.621 1.00 26.18 C ATOM 1057 O LEU B 19 52.421 66.671 16.823 1.00 25.24 O ATOM 1058 CB LEU B 19 51.388 68.310 14.409 1.00 22.33 C ATOM 1059 CG LEU B 19 50.355 68.787 13.389 1.00 25.62 C ATOM 1060 CD1 LEU B 19 50.443 70.301 13.294 1.00 26.39 C ATOM 1061 CD2 LEU B 19 50.556 68.151 12.028 1.00 25.19 C ATOM 1062 H LEU B 19 49.744 66.598 15.651 1.00 0.00 H ATOM 1063 N LYS B 20 53.880 66.211 15.158 1.00 19.80 N ATOM 1064 CA LYS B 20 55.006 65.922 16.032 1.00 15.33 C ATOM 1065 C LYS B 20 56.279 66.477 15.409 1.00 13.11 C ATOM 1066 O LYS B 20 56.340 66.748 14.209 1.00 20.20 O ATOM 1067 CB LYS B 20 55.156 64.417 16.267 1.00 16.32 C ATOM 1068 CG LYS B 20 53.921 63.761 16.852 1.00 25.68 C ATOM 1069 CD LYS B 20 54.061 62.260 16.860 1.00 26.67 C ATOM 1070 CE LYS B 20 52.896 61.591 17.569 1.00 39.37 C ATOM 1071 NZ LYS B 20 52.892 61.863 19.029 1.00 42.12 N ATOM 1072 HZ1 LYS B 20 53.773 61.505 19.449 1.00 0.00 H ATOM 1073 HZ2 LYS B 20 52.821 62.888 19.189 1.00 0.00 H ATOM 1074 HZ3 LYS B 20 52.079 61.385 19.467 1.00 0.00 H ATOM 1075 H LYS B 20 54.019 66.149 14.129 1.00 0.00 H ATOM 1076 N GLU B 21 57.298 66.653 16.244 1.00 17.89 N ATOM 1077 CA GLU B 21 58.632 67.011 15.783 1.00 21.07 C ATOM 1078 C GLU B 21 59.485 65.751 15.693 1.00 18.24 C ATOM 1079 O GLU B 21 59.432 64.895 16.581 1.00 13.96 O ATOM 1080 CB GLU B 21 59.292 68.021 16.725 1.00 19.32 C ATOM 1081 CG GLU B 21 58.540 69.339 16.879 1.00 28.75 C ATOM 1082 CD GLU B 21 58.513 70.159 15.602 1.00 32.10 C ATOM 1083 OE1 GLU B 21 57.425 70.281 14.997 1.00 33.53 O ATOM 1084 OE2 GLU B 21 59.580 70.679 15.200 1.00 33.08 O ATOM 1085 H GLU B 21 57.137 66.531 17.264 1.00 0.00 H ATOM 1086 N ALA B 22 60.267 65.642 14.618 1.00 13.53 N ATOM 1087 CA ALA B 22 61.036 64.435 14.346 1.00 15.40 C ATOM 1088 C ALA B 22 62.358 64.795 13.684 1.00 13.81 C ATOM 1089 O ALA B 22 62.451 65.784 12.953 1.00 16.53 O ATOM 1090 CB ALA B 22 60.263 63.469 13.442 1.00 13.10 C ATOM 1091 H ALA B 22 60.330 66.441 13.955 1.00 0.00 H ATOM 1092 N LEU B 23 63.366 63.963 13.939 1.00 15.41 N ATOM 1093 CA LEU B 23 64.684 64.094 13.326 1.00 16.17 C ATOM 1094 C LEU B 23 64.704 63.478 11.937 1.00 17.24 C ATOM 1095 O LEU B 23 64.315 62.319 11.759 1.00 16.95 O ATOM 1096 CB LEU B 23 65.740 63.377 14.166 1.00 17.48 C ATOM 1097 CG LEU B 23 66.249 63.966 15.464 1.00 24.30 C ATOM 1098 CD1 LEU B 23 67.220 62.978 16.085 1.00 27.11 C ATOM 1099 CD2 LEU B 23 66.926 65.274 15.195 1.00 20.12 C ATOM 1100 H LEU B 23 63.206 63.182 14.607 1.00 0.00 H ATOM 1101 N LEU B 24 65.214 64.226 10.961 1.00 15.49 N ATOM 1102 CA LEU B 24 65.588 63.629 9.685 1.00 12.58 C ATOM 1103 C LEU B 24 66.917 62.912 9.887 1.00 12.85 C ATOM 1104 O LEU B 24 67.961 63.558 10.020 1.00 16.28 O ATOM 1105 CB LEU B 24 65.688 64.695 8.598 1.00 15.77 C ATOM 1106 CG LEU B 24 64.421 65.502 8.315 1.00 18.12 C ATOM 1107 CD1 LEU B 24 64.659 66.436 7.140 1.00 28.82 C ATOM 1108 CD2 LEU B 24 63.226 64.604 8.039 1.00 22.96 C ATOM 1109 H LEU B 24 65.347 65.247 11.110 1.00 0.00 H ATOM 1110 N ASP B 25 66.891 61.580 9.911 1.00 12.33 N ATOM 1111 CA ASP B 25 68.025 60.796 10.394 1.00 10.19 C ATOM 1112 C ASP B 25 68.524 59.822 9.326 1.00 15.29 C ATOM 1113 O ASP B 25 67.971 58.731 9.155 1.00 12.55 O ATOM 1114 CB ASP B 25 67.642 60.058 11.668 1.00 9.53 C ATOM 1115 CG ASP B 25 68.836 59.466 12.359 1.00 12.83 C ATOM 1116 OD1 ASP B 25 69.938 59.544 11.774 1.00 12.07 O ATOM 1117 OD2 ASP B 25 68.688 58.956 13.491 1.00 12.10 O ATOM 1118 H ASP B 25 66.040 61.085 9.577 1.00 0.00 H ATOM 1119 N THR B 26 69.618 60.195 8.656 1.00 12.45 N ATOM 1120 CA THR B 26 70.227 59.330 7.655 1.00 11.28 C ATOM 1121 C THR B 26 70.866 58.090 8.265 1.00 14.98 C ATOM 1122 O THR B 26 71.192 57.155 7.528 1.00 17.37 O ATOM 1123 CB THR B 26 71.279 60.102 6.852 1.00 14.08 C ATOM 1124 OG1 THR B 26 72.321 60.572 7.723 1.00 14.95 O ATOM 1125 CG2 THR B 26 70.638 61.283 6.148 1.00 13.00 C ATOM 1126 HG1 THR B 26 72.753 59.799 8.166 1.00 0.00 H ATOM 1127 H THR B 26 70.044 61.123 8.853 1.00 0.00 H ATOM 1128 N GLY B 27 71.051 58.054 9.581 1.00 12.41 N ATOM 1129 CA GLY B 27 71.625 56.896 10.227 1.00 16.05 C ATOM 1130 C GLY B 27 70.636 55.840 10.663 1.00 10.44 C ATOM 1131 O GLY B 27 71.040 54.856 11.282 1.00 12.80 O ATOM 1132 H GLY B 27 70.777 58.876 10.157 1.00 0.00 H ATOM 1133 N ALA B 28 69.349 56.021 10.382 1.00 13.02 N ATOM 1134 CA ALA B 28 68.312 55.063 10.734 1.00 15.03 C ATOM 1135 C ALA B 28 67.759 54.433 9.463 1.00 15.20 C ATOM 1136 O ALA B 28 67.353 55.151 8.545 1.00 14.49 O ATOM 1137 CB ALA B 28 67.186 55.750 11.513 1.00 11.04 C ATOM 1138 H ALA B 28 69.070 56.891 9.886 1.00 0.00 H ATOM 1139 N ASP B 29 67.753 53.094 9.407 1.00 14.71 N ATOM 1140 CA ASP B 29 67.127 52.406 8.279 1.00 15.18 C ATOM 1141 C ASP B 29 65.628 52.640 8.273 1.00 17.99 C ATOM 1142 O ASP B 29 65.028 52.886 7.219 1.00 17.53 O ATOM 1143 CB ASP B 29 67.381 50.898 8.341 1.00 15.13 C ATOM 1144 CG ASP B 29 68.832 50.526 8.222 1.00 21.17 C ATOM 1145 OD1 ASP B 29 69.662 51.385 7.863 1.00 18.97 O ATOM 1146 OD2 ASP B 29 69.138 49.344 8.491 1.00 18.18 O ATOM 1147 H ASP B 29 68.196 52.542 10.169 1.00 0.00 H ATOM 1148 N ASP B 30 65.014 52.552 9.449 1.00 16.49 N ATOM 1149 CA ASP B 30 63.578 52.630 9.651 1.00 16.06 C ATOM 1150 C ASP B 30 63.224 53.912 10.396 1.00 13.31 C ATOM 1151 O ASP B 30 64.089 54.617 10.923 1.00 15.80 O ATOM 1152 CB ASP B 30 63.083 51.415 10.451 1.00 17.64 C ATOM 1153 CG ASP B 30 63.596 50.090 9.902 1.00 24.85 C ATOM 1154 OD1 ASP B 30 63.241 49.748 8.757 1.00 17.39 O ATOM 1155 OD2 ASP B 30 64.347 49.388 10.627 1.00 21.87 O ATOM 1156 H ASP B 30 65.609 52.417 10.291 1.00 0.00 H ATOM 1157 N THR B 31 61.925 54.177 10.453 1.00 12.36 N ATOM 1158 CA THR B 31 61.350 55.310 11.163 1.00 14.26 C ATOM 1159 C THR B 31 60.856 54.834 12.524 1.00 16.60 C ATOM 1160 O THR B 31 60.146 53.825 12.615 1.00 16.28 O ATOM 1161 CB THR B 31 60.206 55.915 10.342 1.00 15.58 C ATOM 1162 OG1 THR B 31 60.733 56.468 9.129 1.00 18.70 O ATOM 1163 CG2 THR B 31 59.469 57.001 11.107 1.00 14.40 C ATOM 1164 HG1 THR B 31 61.174 55.753 8.606 1.00 0.00 H ATOM 1165 H THR B 31 61.275 53.533 9.958 1.00 0.00 H ATOM 1166 N VAL B 32 61.242 55.551 13.576 1.00 13.50 N ATOM 1167 CA VAL B 32 60.951 55.155 14.948 1.00 13.38 C ATOM 1168 C VAL B 32 60.267 56.328 15.628 1.00 16.47 C ATOM 1169 O VAL B 32 60.842 57.420 15.710 1.00 16.01 O ATOM 1170 CB VAL B 32 62.218 54.754 15.718 1.00 18.03 C ATOM 1171 CG1 VAL B 32 61.847 54.019 17.018 1.00 15.35 C ATOM 1172 CG2 VAL B 32 63.127 53.904 14.845 1.00 15.31 C ATOM 1173 H VAL B 32 61.773 56.430 13.413 1.00 0.00 H ATOM 1174 N LEU B 33 59.050 56.113 16.111 1.00 14.43 N ATOM 1175 CA LEU B 33 58.277 57.184 16.718 1.00 13.58 C ATOM 1176 C LEU B 33 57.980 56.856 18.170 1.00 16.40 C ATOM 1177 O LEU B 33 57.807 55.690 18.540 1.00 12.90 O ATOM 1178 CB LEU B 33 56.971 57.425 15.968 1.00 16.55 C ATOM 1179 CG LEU B 33 57.114 57.796 14.493 1.00 16.34 C ATOM 1180 CD1 LEU B 33 55.754 57.964 13.893 1.00 27.46 C ATOM 1181 CD2 LEU B 33 57.938 59.059 14.305 1.00 19.80 C ATOM 1182 H LEU B 33 58.641 55.159 16.054 1.00 0.00 H ATOM 1183 N GLU B 34 57.924 57.910 18.979 1.00 15.27 N ATOM 1184 CA GLU B 34 57.597 57.783 20.388 1.00 22.06 C ATOM 1185 C GLU B 34 56.245 57.104 20.562 1.00 23.52 C ATOM 1186 O GLU B 34 55.397 57.098 19.665 1.00 19.97 O ATOM 1187 CB GLU B 34 57.579 59.156 21.064 1.00 17.59 C ATOM 1188 CG GLU B 34 58.960 59.769 21.243 1.00 27.86 C ATOM 1189 CD GLU B 34 58.932 61.086 22.003 1.00 48.16 C ATOM 1190 OE1 GLU B 34 58.835 62.148 21.353 1.00 41.69 O ATOM 1191 OE2 GLU B 34 59.008 61.057 23.252 1.00 46.07 O ATOM 1192 H GLU B 34 58.121 58.854 18.590 1.00 0.00 H ATOM 1193 N GLU B 35 56.055 56.524 21.742 1.00 21.35 N ATOM 1194 CA GLU B 35 54.833 55.791 22.035 1.00 26.75 C ATOM 1195 C GLU B 35 53.607 56.598 21.631 1.00 22.97 C ATOM 1196 O GLU B 35 53.465 57.768 21.997 1.00 20.92 O ATOM 1197 CB GLU B 35 54.781 55.453 23.524 1.00 27.80 C ATOM 1198 CG GLU B 35 53.523 54.726 23.947 1.00 33.23 C ATOM 1199 CD GLU B 35 53.297 53.461 23.154 1.00 35.14 C ATOM 1200 OE1 GLU B 35 54.265 52.684 22.992 1.00 29.22 O ATOM 1201 OE2 GLU B 35 52.157 53.252 22.686 1.00 38.02 O ATOM 1202 H GLU B 35 56.794 56.595 22.470 1.00 0.00 H ATOM 1203 N MET B 36 52.738 55.970 20.845 1.00 21.38 N ATOM 1204 CA MET B 36 51.454 56.546 20.478 1.00 30.14 C ATOM 1205 C MET B 36 50.493 55.399 20.202 1.00 24.39 C ATOM 1206 O MET B 36 50.908 54.315 19.786 1.00 22.59 O ATOM 1207 CB MET B 36 51.574 57.467 19.257 1.00 28.60 C ATOM 1208 CG MET B 36 52.034 56.775 17.983 1.00 28.50 C ATOM 1209 SD MET B 36 52.337 57.927 16.616 1.00 30.21 S ATOM 1210 CE MET B 36 50.807 58.866 16.594 1.00 40.48 C ATOM 1211 H MET B 36 52.986 55.029 20.478 1.00 0.00 H ATOM 1212 N ASN B 37 49.204 55.644 20.440 1.00 23.91 N ATOM 1213 CA ASN B 37 48.191 54.590 20.354 1.00 31.54 C ATOM 1214 C ASN B 37 47.560 54.595 18.962 1.00 30.97 C ATOM 1215 O ASN B 37 46.429 55.038 18.756 1.00 40.41 O ATOM 1216 CB ASN B 37 47.144 54.773 21.446 1.00 30.25 C ATOM 1217 H ASN B 37 48.910 56.609 20.693 1.00 0.00 H ATOM 1218 N LEU B 38 48.317 54.064 17.986 1.00 27.51 N ATOM 1219 CA LEU B 38 47.829 53.907 16.622 1.00 24.86 C ATOM 1220 C LEU B 38 46.900 52.697 16.523 1.00 32.10 C ATOM 1221 O LEU B 38 47.105 51.693 17.208 1.00 32.23 O ATOM 1222 CB LEU B 38 48.989 53.717 15.649 1.00 27.15 C ATOM 1223 CG LEU B 38 49.765 54.931 15.136 1.00 34.58 C ATOM 1224 CD1 LEU B 38 50.962 54.472 14.316 1.00 29.74 C ATOM 1225 CD2 LEU B 38 48.875 55.837 14.297 1.00 37.66 C ATOM 1226 H LEU B 38 49.284 53.755 18.212 1.00 0.00 H ATOM 1227 N PRO B 39 45.880 52.753 15.670 1.00 28.47 N ATOM 1228 CA PRO B 39 45.034 51.579 15.453 1.00 35.58 C ATOM 1229 C PRO B 39 45.631 50.635 14.420 1.00 26.26 C ATOM 1230 O PRO B 39 46.538 50.980 13.662 1.00 25.67 O ATOM 1231 CB PRO B 39 43.721 52.184 14.940 1.00 34.33 C ATOM 1232 CG PRO B 39 44.152 53.405 14.209 1.00 31.77 C ATOM 1233 CD PRO B 39 45.394 53.920 14.913 1.00 33.49 C ATOM 1234 N GLY B 40 45.096 49.423 14.408 1.00 31.19 N ATOM 1235 CA GLY B 40 45.471 48.437 13.418 1.00 26.21 C ATOM 1236 C GLY B 40 46.410 47.394 13.982 1.00 23.17 C ATOM 1237 O GLY B 40 46.846 47.443 15.137 1.00 30.43 O ATOM 1238 H GLY B 40 44.389 49.174 15.129 1.00 0.00 H ATOM 1239 N ARG B 41 46.723 46.432 13.123 1.00 23.66 N ATOM 1240 CA ARG B 41 47.622 45.352 13.480 1.00 29.12 C ATOM 1241 C ARG B 41 49.073 45.827 13.441 1.00 23.34 C ATOM 1242 O ARG B 41 49.415 46.833 12.811 1.00 22.61 O ATOM 1243 CB ARG B 41 47.435 44.169 12.532 1.00 26.48 C ATOM 1244 H ARG B 41 46.312 46.453 12.168 1.00 0.00 H ATOM 1245 N TRP B 42 49.931 45.076 14.124 1.00 22.48 N ATOM 1246 CA TRP B 42 51.353 45.379 14.176 1.00 20.42 C ATOM 1247 C TRP B 42 52.117 44.095 14.447 1.00 26.20 C ATOM 1248 O TRP B 42 51.546 43.092 14.879 1.00 19.96 O ATOM 1249 CB TRP B 42 51.661 46.409 15.258 1.00 15.04 C ATOM 1250 CG TRP B 42 51.109 46.034 16.587 1.00 17.91 C ATOM 1251 CD1 TRP B 42 49.839 46.248 17.037 1.00 25.80 C ATOM 1252 CD2 TRP B 42 51.802 45.366 17.645 1.00 28.73 C ATOM 1253 NE1 TRP B 42 49.696 45.752 18.307 1.00 22.64 N ATOM 1254 CE2 TRP B 42 50.889 45.206 18.706 1.00 31.11 C ATOM 1255 CE3 TRP B 42 53.107 44.886 17.798 1.00 25.05 C ATOM 1256 CZ2 TRP B 42 51.239 44.596 19.908 1.00 27.32 C ATOM 1257 CZ3 TRP B 42 53.453 44.276 18.994 1.00 22.65 C ATOM 1258 CH2 TRP B 42 52.523 44.138 20.031 1.00 22.53 C ATOM 1259 HE1 TRP B 42 48.825 45.784 18.875 1.00 0.00 H ATOM 1260 H TRP B 42 49.574 44.245 14.638 1.00 0.00 H ATOM 1261 N LYS B 43 53.424 44.142 14.194 1.00 21.85 N ATOM 1262 CA LYS B 43 54.323 43.030 14.452 1.00 25.67 C ATOM 1263 C LYS B 43 55.406 43.458 15.438 1.00 20.45 C ATOM 1264 O LYS B 43 55.915 44.579 15.333 1.00 15.91 O ATOM 1265 CB LYS B 43 54.981 42.548 13.147 1.00 20.30 C ATOM 1266 H LYS B 43 53.820 45.016 13.793 1.00 0.00 H ATOM 1267 N PRO B 44 55.771 42.612 16.405 1.00 19.46 N ATOM 1268 CA PRO B 44 56.842 42.984 17.336 1.00 19.70 C ATOM 1269 C PRO B 44 58.196 43.004 16.649 1.00 16.09 C ATOM 1270 O PRO B 44 58.475 42.212 15.746 1.00 13.76 O ATOM 1271 CB PRO B 44 56.788 41.887 18.409 1.00 24.70 C ATOM 1272 CG PRO B 44 55.494 41.180 18.198 1.00 20.90 C ATOM 1273 CD PRO B 44 55.194 41.300 16.750 1.00 22.82 C ATOM 1274 N LYS B 45 59.049 43.921 17.100 1.00 13.59 N ATOM 1275 CA LYS B 45 60.390 44.054 16.547 1.00 14.66 C ATOM 1276 C LYS B 45 61.305 44.599 17.631 1.00 15.17 C ATOM 1277 O LYS B 45 60.858 45.231 18.588 1.00 15.94 O ATOM 1278 CB LYS B 45 60.406 44.969 15.311 1.00 12.99 C ATOM 1279 CG LYS B 45 61.727 44.985 14.521 1.00 16.73 C ATOM 1280 CD LYS B 45 61.575 45.805 13.245 1.00 20.23 C ATOM 1281 CE LYS B 45 62.893 46.021 12.512 1.00 23.12 C ATOM 1282 NZ LYS B 45 63.335 44.823 11.752 1.00 34.99 N ATOM 1283 HZ1 LYS B 45 63.463 44.026 12.408 1.00 0.00 H ATOM 1284 HZ2 LYS B 45 62.614 44.578 11.043 1.00 0.00 H ATOM 1285 HZ3 LYS B 45 64.236 45.030 11.275 1.00 0.00 H ATOM 1286 H LYS B 45 58.751 44.558 17.866 1.00 0.00 H ATOM 1287 N MET B 46 62.598 44.331 17.476 1.00 13.23 N ATOM 1288 CA MET B 46 63.615 44.903 18.343 1.00 16.39 C ATOM 1289 C MET B 46 64.659 45.589 17.478 1.00 16.90 C ATOM 1290 O MET B 46 65.067 45.058 16.439 1.00 14.77 O ATOM 1291 CB MET B 46 64.251 43.833 19.247 1.00 14.79 C ATOM 1292 CG MET B 46 63.450 43.613 20.531 1.00 20.55 C ATOM 1293 SD MET B 46 63.966 42.237 21.564 1.00 35.05 S ATOM 1294 CE MET B 46 65.371 42.957 22.423 1.00 24.23 C ATOM 1295 H MET B 46 62.891 43.692 16.710 1.00 0.00 H ATOM 1296 N ILE B 47 65.050 46.795 17.884 1.00 17.45 N ATOM 1297 CA ILE B 47 66.053 47.573 17.169 1.00 13.02 C ATOM 1298 C ILE B 47 67.116 48.008 18.159 1.00 14.07 C ATOM 1299 O ILE B 47 66.815 48.304 19.322 1.00 12.40 O ATOM 1300 CB ILE B 47 65.440 48.787 16.448 1.00 15.01 C ATOM 1301 CG1 ILE B 47 64.699 49.695 17.438 1.00 15.88 C ATOM 1302 CG2 ILE B 47 64.526 48.308 15.337 1.00 16.51 C ATOM 1303 CD1 ILE B 47 64.306 51.030 16.846 1.00 21.15 C ATOM 1304 H ILE B 47 64.624 47.197 18.743 1.00 0.00 H ATOM 1305 N GLY B 48 68.358 48.022 17.706 1.00 17.79 N ATOM 1306 CA GLY B 48 69.496 48.261 18.575 1.00 17.90 C ATOM 1307 C GLY B 48 70.318 49.450 18.118 1.00 16.34 C ATOM 1308 O GLY B 48 70.497 49.667 16.920 1.00 11.29 O ATOM 1309 H GLY B 48 68.525 47.856 16.693 1.00 0.00 H ATOM 1310 N GLY B 49 70.803 50.205 19.079 1.00 16.83 N ATOM 1311 CA GLY B 49 71.686 51.328 18.818 1.00 17.54 C ATOM 1312 C GLY B 49 72.628 51.488 19.981 1.00 15.54 C ATOM 1313 O GLY B 49 72.916 50.527 20.701 1.00 13.15 O ATOM 1314 H GLY B 49 70.545 49.990 20.063 1.00 0.00 H ATOM 1315 N ILE B 50 73.094 52.720 20.188 1.00 15.88 N ATOM 1316 CA ILE B 50 73.949 53.002 21.332 1.00 16.75 C ATOM 1317 C ILE B 50 73.152 52.766 22.605 1.00 18.26 C ATOM 1318 O ILE B 50 72.038 53.278 22.767 1.00 16.15 O ATOM 1319 CB ILE B 50 74.505 54.433 21.241 1.00 16.85 C ATOM 1320 CG1 ILE B 50 75.565 54.490 20.135 1.00 17.35 C ATOM 1321 CG2 ILE B 50 75.077 54.894 22.592 1.00 14.94 C ATOM 1322 CD1 ILE B 50 76.065 55.875 19.802 1.00 17.23 C ATOM 1323 H ILE B 50 72.845 53.484 19.528 1.00 0.00 H ATOM 1324 N GLY B 51 73.707 51.954 23.501 1.00 16.17 N ATOM 1325 CA GLY B 51 73.045 51.582 24.729 1.00 19.97 C ATOM 1326 C GLY B 51 72.324 50.249 24.681 1.00 23.53 C ATOM 1327 O GLY B 51 71.999 49.700 25.740 1.00 21.78 O ATOM 1328 H GLY B 51 74.655 51.572 23.309 1.00 0.00 H ATOM 1329 N GLY B 52 72.055 49.717 23.488 1.00 17.01 N ATOM 1330 CA GLY B 52 71.406 48.428 23.354 1.00 19.88 C ATOM 1331 C GLY B 52 70.109 48.531 22.567 1.00 21.01 C ATOM 1332 O GLY B 52 69.933 49.430 21.736 1.00 15.15 O ATOM 1333 H GLY B 52 72.318 50.242 22.630 1.00 0.00 H ATOM 1334 N PHE B 53 69.194 47.611 22.857 1.00 21.77 N ATOM 1335 CA PHE B 53 67.987 47.441 22.060 1.00 18.20 C ATOM 1336 C PHE B 53 66.755 47.946 22.796 1.00 17.05 C ATOM 1337 O PHE B 53 66.718 47.991 24.030 1.00 16.06 O ATOM 1338 CB PHE B 53 67.795 45.969 21.677 1.00 16.18 C ATOM 1339 CG PHE B 53 68.754 45.492 20.627 1.00 17.96 C ATOM 1340 CD1 PHE B 53 70.082 45.274 20.938 1.00 20.64 C ATOM 1341 CD2 PHE B 53 68.331 45.270 19.325 1.00 17.78 C ATOM 1342 CE1 PHE B 53 70.969 44.840 19.980 1.00 13.08 C ATOM 1343 CE2 PHE B 53 69.215 44.836 18.361 1.00 20.10 C ATOM 1344 CZ PHE B 53 70.540 44.622 18.691 1.00 17.19 C ATOM 1345 H PHE B 53 69.345 46.993 23.680 1.00 0.00 H ATOM 1346 N ILE B 54 65.748 48.348 22.017 1.00 16.16 N ATOM 1347 CA ILE B 54 64.428 48.657 22.543 1.00 16.16 C ATOM 1348 C ILE B 54 63.399 47.842 21.772 1.00 21.06 C ATOM 1349 O ILE B 54 63.602 47.476 20.609 1.00 13.38 O ATOM 1350 CB ILE B 54 64.081 50.166 22.481 1.00 18.15 C ATOM 1351 CG1 ILE B 54 64.045 50.682 21.040 1.00 16.69 C ATOM 1352 CG2 ILE B 54 65.072 50.967 23.311 1.00 26.74 C ATOM 1353 CD1 ILE B 54 63.370 52.035 20.908 1.00 20.74 C ATOM 1354 H ILE B 54 65.914 48.444 20.995 1.00 0.00 H ATOM 1355 N LYS B 55 62.290 47.550 22.442 1.00 15.64 N ATOM 1356 CA LYS B 55 61.176 46.831 21.839 1.00 14.83 C ATOM 1357 C LYS B 55 60.213 47.827 21.211 1.00 14.05 C ATOM 1358 O LYS B 55 59.843 48.822 21.843 1.00 17.75 O ATOM 1359 CB LYS B 55 60.464 45.985 22.895 1.00 19.13 C ATOM 1360 CG LYS B 55 61.326 44.867 23.477 1.00 34.44 C ATOM 1361 CD LYS B 55 60.830 44.422 24.850 1.00 40.49 C ATOM 1362 CE LYS B 55 61.447 43.087 25.259 1.00 38.99 C ATOM 1363 NZ LYS B 55 62.173 43.146 26.556 1.00 44.27 N ATOM 1364 HZ1 LYS B 55 62.944 43.840 26.489 1.00 0.00 H ATOM 1365 HZ2 LYS B 55 61.514 43.430 27.308 1.00 0.00 H ATOM 1366 HZ3 LYS B 55 62.567 42.209 26.774 1.00 0.00 H ATOM 1367 H LYS B 55 62.214 47.846 23.436 1.00 0.00 H ATOM 1368 N VAL B 56 59.810 47.563 19.965 1.00 18.06 N ATOM 1369 CA VAL B 56 58.927 48.459 19.230 1.00 12.23 C ATOM 1370 C VAL B 56 57.840 47.656 18.530 1.00 15.57 C ATOM 1371 O VAL B 56 57.936 46.439 18.366 1.00 15.22 O ATOM 1372 CB VAL B 56 59.693 49.311 18.196 1.00 13.75 C ATOM 1373 CG1 VAL B 56 60.711 50.210 18.889 1.00 16.94 C ATOM 1374 CG2 VAL B 56 60.385 48.426 17.178 1.00 15.14 C ATOM 1375 H VAL B 56 60.137 46.690 19.505 1.00 0.00 H ATOM 1376 N ARG B 57 56.796 48.362 18.107 1.00 15.03 N ATOM 1377 CA ARG B 57 55.694 47.764 17.368 1.00 15.23 C ATOM 1378 C ARG B 57 55.761 48.255 15.930 1.00 17.20 C ATOM 1379 O ARG B 57 55.745 49.465 15.683 1.00 18.62 O ATOM 1380 CB ARG B 57 54.354 48.115 18.013 1.00 14.86 C ATOM 1381 CG ARG B 57 54.297 47.741 19.477 1.00 22.58 C ATOM 1382 CD ARG B 57 52.892 47.873 20.051 1.00 26.23 C ATOM 1383 NE ARG B 57 52.307 49.195 19.831 1.00 25.26 N ATOM 1384 CZ ARG B 57 52.584 50.275 20.560 1.00 29.57 C ATOM 1385 NH1 ARG B 57 53.450 50.206 21.561 1.00 31.56 N ATOM 1386 NH2 ARG B 57 51.998 51.434 20.283 1.00 26.10 N ATOM 1387 HE ARG B 57 51.627 49.299 19.051 1.00 0.00 H ATOM 1388 HH12 ARG B 57 53.661 51.054 22.125 1.00 0.00 H ATOM 1389 HH11 ARG B 57 53.919 49.304 21.782 1.00 0.00 H ATOM 1390 HH22 ARG B 57 52.216 52.276 20.853 1.00 0.00 H ATOM 1391 HH21 ARG B 57 51.322 51.500 19.496 1.00 0.00 H ATOM 1392 H ARG B 57 56.766 49.381 18.312 1.00 0.00 H ATOM 1393 N GLN B 58 55.855 47.321 14.989 1.00 14.87 N ATOM 1394 CA GLN B 58 55.996 47.656 13.579 1.00 18.49 C ATOM 1395 C GLN B 58 54.620 47.763 12.934 1.00 26.12 C ATOM 1396 O GLN B 58 53.880 46.773 12.868 1.00 19.35 O ATOM 1397 CB GLN B 58 56.844 46.615 12.851 1.00 17.04 C ATOM 1398 CG GLN B 58 56.903 46.823 11.340 1.00 19.06 C ATOM 1399 CD GLN B 58 57.652 45.727 10.618 1.00 23.89 C ATOM 1400 OE1 GLN B 58 58.516 45.064 11.192 1.00 27.57 O ATOM 1401 NE2 GLN B 58 57.325 45.532 9.343 1.00 25.62 N ATOM 1402 HE22 GLN B 58 56.588 46.117 8.900 1.00 0.00 H ATOM 1403 HE21 GLN B 58 57.806 44.795 8.790 1.00 0.00 H ATOM 1404 H GLN B 58 55.827 46.320 15.269 1.00 0.00 H ATOM 1405 N TYR B 59 54.287 48.962 12.459 1.00 17.36 N ATOM 1406 CA TYR B 59 53.091 49.212 11.663 1.00 21.31 C ATOM 1407 C TYR B 59 53.493 49.428 10.211 1.00 25.91 C ATOM 1408 O TYR B 59 54.491 50.099 9.929 1.00 20.14 O ATOM 1409 CB TYR B 59 52.334 50.442 12.168 1.00 20.99 C ATOM 1410 CG TYR B 59 51.753 50.305 13.551 1.00 20.16 C ATOM 1411 CD1 TYR B 59 52.507 50.597 14.676 1.00 15.05 C ATOM 1412 CD2 TYR B 59 50.433 49.908 13.729 1.00 23.77 C ATOM 1413 CE1 TYR B 59 51.972 50.476 15.947 1.00 19.57 C ATOM 1414 CE2 TYR B 59 49.888 49.787 14.988 1.00 19.76 C ATOM 1415 CZ TYR B 59 50.660 50.066 16.094 1.00 27.07 C ATOM 1416 OH TYR B 59 50.111 49.941 17.346 1.00 25.97 O ATOM 1417 HH TYR B 59 49.335 50.551 17.427 1.00 0.00 H ATOM 1418 H TYR B 59 54.915 49.764 12.667 1.00 0.00 H ATOM 1419 N ASP B 60 52.721 48.863 9.290 1.00 22.89 N ATOM 1420 CA ASP B 60 53.026 48.946 7.870 1.00 23.35 C ATOM 1421 C ASP B 60 52.022 49.854 7.169 1.00 20.69 C ATOM 1422 O ASP B 60 50.878 50.004 7.609 1.00 22.00 O ATOM 1423 CB ASP B 60 53.021 47.555 7.224 1.00 31.06 C ATOM 1424 CG ASP B 60 54.048 46.615 7.846 1.00 32.93 C ATOM 1425 OD1 ASP B 60 55.152 47.079 8.200 1.00 29.48 O ATOM 1426 OD2 ASP B 60 53.747 45.412 7.992 1.00 31.69 O ATOM 1427 H ASP B 60 51.872 48.345 9.593 1.00 0.00 H ATOM 1428 N GLN B 61 52.476 50.480 6.085 1.00 21.43 N ATOM 1429 CA GLN B 61 51.621 51.306 5.229 1.00 30.01 C ATOM 1430 C GLN B 61 50.963 52.442 6.009 1.00 24.26 C ATOM 1431 O GLN B 61 49.762 52.695 5.892 1.00 26.82 O ATOM 1432 CB GLN B 61 50.566 50.445 4.531 1.00 27.03 C ATOM 1433 CG GLN B 61 51.143 49.495 3.504 1.00 25.82 C ATOM 1434 CD GLN B 61 51.967 50.212 2.452 1.00 42.42 C ATOM 1435 OE1 GLN B 61 53.190 50.304 2.559 1.00 46.64 O ATOM 1436 NE2 GLN B 61 51.296 50.738 1.434 1.00 46.36 N ATOM 1437 HE22 GLN B 61 50.262 50.636 1.384 1.00 0.00 H ATOM 1438 HE21 GLN B 61 51.804 51.252 0.686 1.00 0.00 H ATOM 1439 H GLN B 61 53.480 50.378 5.835 1.00 0.00 H ATOM 1440 N ILE B 62 51.766 53.150 6.794 1.00 20.37 N ATOM 1441 CA ILE B 62 51.282 54.283 7.575 1.00 22.53 C ATOM 1442 C ILE B 62 51.518 55.558 6.780 1.00 27.10 C ATOM 1443 O ILE B 62 52.604 55.762 6.229 1.00 23.72 O ATOM 1444 CB ILE B 62 51.985 54.348 8.941 1.00 19.70 C ATOM 1445 CG1 ILE B 62 51.637 53.114 9.785 1.00 21.14 C ATOM 1446 CG2 ILE B 62 51.626 55.627 9.683 1.00 18.83 C ATOM 1447 CD1 ILE B 62 50.158 52.938 10.081 1.00 27.17 C ATOM 1448 H ILE B 62 52.771 52.889 6.854 1.00 0.00 H ATOM 1449 N LEU B 63 50.509 56.422 6.737 1.00 21.87 N ATOM 1450 CA LEU B 63 50.625 57.705 6.056 1.00 26.93 C ATOM 1451 C LEU B 63 51.324 58.714 6.960 1.00 24.37 C ATOM 1452 O LEU B 63 50.927 58.910 8.113 1.00 28.78 O ATOM 1453 CB LEU B 63 49.243 58.223 5.669 1.00 28.35 C ATOM 1454 CG LEU B 63 48.328 57.228 4.953 1.00 41.58 C ATOM 1455 CD1 LEU B 63 46.889 57.715 4.946 1.00 47.45 C ATOM 1456 CD2 LEU B 63 48.819 57.010 3.542 1.00 43.14 C ATOM 1457 H LEU B 63 49.612 56.176 7.202 1.00 0.00 H ATOM 1458 N ILE B 64 52.363 59.353 6.437 1.00 25.37 N ATOM 1459 CA ILE B 64 53.100 60.382 7.164 1.00 20.94 C ATOM 1460 C ILE B 64 53.349 61.538 6.213 1.00 28.36 C ATOM 1461 O ILE B 64 53.672 61.328 5.039 1.00 31.58 O ATOM 1462 CB ILE B 64 54.436 59.857 7.732 1.00 31.63 C ATOM 1463 CG1 ILE B 64 54.175 58.852 8.852 1.00 35.49 C ATOM 1464 CG2 ILE B 64 55.306 61.020 8.240 1.00 29.67 C ATOM 1465 CD1 ILE B 64 55.429 58.435 9.623 1.00 36.77 C ATOM 1466 H ILE B 64 52.664 59.111 5.471 1.00 0.00 H ATOM 1467 N GLU B 65 53.193 62.759 6.721 1.00 18.63 N ATOM 1468 CA GLU B 65 53.538 63.970 5.989 1.00 23.88 C ATOM 1469 C GLU B 65 54.718 64.651 6.670 1.00 23.14 C ATOM 1470 O GLU B 65 54.677 64.918 7.875 1.00 22.91 O ATOM 1471 CB GLU B 65 52.345 64.922 5.914 1.00 23.71 C ATOM 1472 CG GLU B 65 52.533 66.060 4.935 1.00 24.16 C ATOM 1473 CD GLU B 65 51.280 66.894 4.785 1.00 27.20 C ATOM 1474 OE1 GLU B 65 50.248 66.333 4.358 1.00 24.12 O ATOM 1475 OE2 GLU B 65 51.322 68.100 5.104 1.00 27.97 O ATOM 1476 H GLU B 65 52.808 62.852 7.683 1.00 0.00 H ATOM 1477 N ILE B 66 55.761 64.928 5.895 1.00 21.23 N ATOM 1478 CA ILE B 66 57.016 65.481 6.397 1.00 20.22 C ATOM 1479 C ILE B 66 57.247 66.786 5.649 1.00 30.78 C ATOM 1480 O ILE B 66 57.577 66.772 4.455 1.00 26.87 O ATOM 1481 CB ILE B 66 58.190 64.510 6.196 1.00 22.81 C ATOM 1482 CG1 ILE B 66 57.901 63.165 6.862 1.00 27.43 C ATOM 1483 CG2 ILE B 66 59.487 65.090 6.752 1.00 27.30 C ATOM 1484 CD1 ILE B 66 58.609 62.010 6.213 1.00 23.34 C ATOM 1485 H ILE B 66 55.679 64.741 4.875 1.00 0.00 H ATOM 1486 N CYS B 67 57.063 67.913 6.337 1.00 32.05 N ATOM 1487 CA CYS B 67 57.251 69.237 5.736 1.00 23.43 C ATOM 1488 C CYS B 67 56.414 69.393 4.473 1.00 27.96 C ATOM 1489 O CYS B 67 56.895 69.841 3.431 1.00 33.80 O ATOM 1490 CB CYS B 67 58.721 69.496 5.413 1.00 39.97 C ATOM 1491 SG CYS B 67 59.781 69.677 6.821 1.00 44.22 S ATOM 1492 H CYS B 67 56.776 67.851 7.335 1.00 0.00 H ATOM 1493 N GLY B 68 55.145 69.015 4.566 1.00 23.43 N ATOM 1494 CA GLY B 68 54.274 69.064 3.413 1.00 29.66 C ATOM 1495 C GLY B 68 54.561 68.039 2.337 1.00 27.73 C ATOM 1496 O GLY B 68 53.905 68.075 1.290 1.00 36.00 O ATOM 1497 H GLY B 68 54.773 68.680 5.478 1.00 0.00 H ATOM 1498 N HIS B 69 55.517 67.134 2.550 1.00 28.93 N ATOM 1499 CA HIS B 69 55.801 66.047 1.618 1.00 23.92 C ATOM 1500 C HIS B 69 55.158 64.768 2.139 1.00 26.35 C ATOM 1501 O HIS B 69 55.460 64.329 3.253 1.00 23.60 O ATOM 1502 CB HIS B 69 57.307 65.843 1.445 1.00 25.38 C ATOM 1503 CG HIS B 69 57.998 66.985 0.771 1.00 28.09 C ATOM 1504 ND1 HIS B 69 58.373 66.948 -0.554 1.00 23.29 N ATOM 1505 CD2 HIS B 69 58.378 68.199 1.237 1.00 29.63 C ATOM 1506 CE1 HIS B 69 58.960 68.087 -0.875 1.00 27.55 C ATOM 1507 NE2 HIS B 69 58.975 68.863 0.193 1.00 22.77 N ATOM 1508 H HIS B 69 56.085 67.206 3.418 1.00 0.00 H ATOM 1509 N LYS B 70 54.287 64.167 1.332 1.00 23.04 N ATOM 1510 CA LYS B 70 53.573 62.971 1.752 1.00 28.37 C ATOM 1511 C LYS B 70 54.422 61.732 1.517 1.00 19.25 C ATOM 1512 O LYS B 70 55.162 61.645 0.534 1.00 19.32 O ATOM 1513 CB LYS B 70 52.245 62.844 1.003 1.00 19.76 C ATOM 1514 CG LYS B 70 51.240 63.948 1.336 1.00 31.63 C ATOM 1515 CD LYS B 70 49.855 63.643 0.786 1.00 27.06 C ATOM 1516 CE LYS B 70 48.890 64.795 1.022 1.00 31.24 C ATOM 1517 NZ LYS B 70 49.216 65.959 0.154 1.00 47.69 N ATOM 1518 HZ1 LYS B 70 50.181 66.286 0.363 1.00 0.00 H ATOM 1519 HZ2 LYS B 70 49.154 65.674 -0.844 1.00 0.00 H ATOM 1520 HZ3 LYS B 70 48.540 66.728 0.339 1.00 0.00 H ATOM 1521 H LYS B 70 54.114 64.559 0.384 1.00 0.00 H ATOM 1522 N ALA B 71 54.310 60.772 2.431 1.00 25.52 N ATOM 1523 CA ALA B 71 54.974 59.486 2.286 1.00 23.97 C ATOM 1524 C ALA B 71 54.092 58.422 2.922 1.00 27.47 C ATOM 1525 O ALA B 71 53.126 58.725 3.627 1.00 29.81 O ATOM 1526 CB ALA B 71 56.369 59.495 2.920 1.00 28.52 C ATOM 1527 H ALA B 71 53.729 60.946 3.276 1.00 0.00 H ATOM 1528 N ILE B 72 54.424 57.164 2.651 1.00 21.78 N ATOM 1529 CA ILE B 72 53.697 56.042 3.234 1.00 19.27 C ATOM 1530 C ILE B 72 54.656 54.869 3.353 1.00 23.45 C ATOM 1531 O ILE B 72 55.307 54.484 2.377 1.00 21.86 O ATOM 1532 CB ILE B 72 52.446 55.661 2.414 1.00 28.82 C ATOM 1533 CG1 ILE B 72 51.883 54.321 2.905 1.00 30.85 C ATOM 1534 CG2 ILE B 72 52.771 55.601 0.931 1.00 31.26 C ATOM 1535 CD1 ILE B 72 50.477 54.007 2.414 1.00 36.29 C ATOM 1536 H ILE B 72 55.220 56.975 2.009 1.00 0.00 H ATOM 1537 N GLY B 73 54.747 54.305 4.548 1.00 26.86 N ATOM 1538 CA GLY B 73 55.679 53.218 4.774 1.00 24.20 C ATOM 1539 C GLY B 73 55.585 52.694 6.187 1.00 19.82 C ATOM 1540 O GLY B 73 54.613 52.950 6.900 1.00 20.13 O ATOM 1541 H GLY B 73 54.147 54.643 5.327 1.00 0.00 H ATOM 1542 N THR B 74 56.621 51.963 6.584 1.00 16.27 N ATOM 1543 CA THR B 74 56.660 51.336 7.896 1.00 20.05 C ATOM 1544 C THR B 74 57.080 52.341 8.961 1.00 20.09 C ATOM 1545 O THR B 74 58.004 53.135 8.757 1.00 19.53 O ATOM 1546 CB THR B 74 57.630 50.154 7.874 1.00 27.51 C ATOM 1547 OG1 THR B 74 57.133 49.157 6.973 1.00 21.21 O ATOM 1548 CG2 THR B 74 57.791 49.542 9.255 1.00 24.14 C ATOM 1549 HG1 THR B 74 56.242 48.852 7.279 1.00 0.00 H ATOM 1550 H THR B 74 57.427 51.836 5.939 1.00 0.00 H ATOM 1551 N VAL B 75 56.381 52.319 10.095 1.00 17.37 N ATOM 1552 CA VAL B 75 56.777 53.085 11.269 1.00 14.67 C ATOM 1553 C VAL B 75 56.855 52.141 12.460 1.00 16.22 C ATOM 1554 O VAL B 75 55.982 51.286 12.650 1.00 19.50 O ATOM 1555 CB VAL B 75 55.812 54.253 11.556 1.00 23.21 C ATOM 1556 CG1 VAL B 75 55.628 55.085 10.306 1.00 21.72 C ATOM 1557 CG2 VAL B 75 54.466 53.749 12.063 1.00 32.10 C ATOM 1558 H VAL B 75 55.522 51.734 10.144 1.00 0.00 H ATOM 1559 N LEU B 76 57.915 52.288 13.244 1.00 11.95 N ATOM 1560 CA LEU B 76 58.123 51.518 14.458 1.00 15.74 C ATOM 1561 C LEU B 76 57.793 52.406 15.648 1.00 20.17 C ATOM 1562 O LEU B 76 58.303 53.527 15.751 1.00 23.51 O ATOM 1563 CB LEU B 76 59.568 51.020 14.542 1.00 16.44 C ATOM 1564 CG LEU B 76 60.119 50.360 13.271 1.00 15.15 C ATOM 1565 CD1 LEU B 76 61.612 50.072 13.416 1.00 18.95 C ATOM 1566 CD2 LEU B 76 59.359 49.087 12.937 1.00 18.40 C ATOM 1567 H LEU B 76 58.634 52.990 12.976 1.00 0.00 H ATOM 1568 N VAL B 77 56.923 51.922 16.527 1.00 14.95 N ATOM 1569 CA VAL B 77 56.461 52.690 17.679 1.00 12.64 C ATOM 1570 C VAL B 77 56.981 52.024 18.946 1.00 14.52 C ATOM 1571 O VAL B 77 56.797 50.819 19.146 1.00 13.07 O ATOM 1572 CB VAL B 77 54.927 52.807 17.698 1.00 18.47 C ATOM 1573 CG1 VAL B 77 54.463 53.610 18.904 1.00 20.23 C ATOM 1574 CG2 VAL B 77 54.427 53.459 16.415 1.00 17.73 C ATOM 1575 H VAL B 77 56.557 50.958 16.389 1.00 0.00 H ATOM 1576 N GLY B 78 57.634 52.809 19.796 1.00 17.91 N ATOM 1577 CA GLY B 78 58.165 52.306 21.039 1.00 17.02 C ATOM 1578 C GLY B 78 58.786 53.402 21.876 1.00 19.20 C ATOM 1579 O GLY B 78 58.700 54.588 21.543 1.00 16.24 O ATOM 1580 H GLY B 78 57.766 53.813 19.559 1.00 0.00 H ATOM 1581 N PRO B 79 59.424 53.025 22.990 1.00 18.39 N ATOM 1582 CA PRO B 79 59.969 54.021 23.930 1.00 21.44 C ATOM 1583 C PRO B 79 61.263 54.657 23.433 1.00 23.68 C ATOM 1584 O PRO B 79 62.309 54.602 24.081 1.00 20.10 O ATOM 1585 CB PRO B 79 60.171 53.190 25.204 1.00 17.42 C ATOM 1586 CG PRO B 79 60.444 51.823 24.720 1.00 19.19 C ATOM 1587 CD PRO B 79 59.582 51.648 23.495 1.00 22.21 C ATOM 1588 N THR B 80 61.196 55.276 22.271 1.00 20.22 N ATOM 1589 CA THR B 80 62.362 56.008 21.814 1.00 16.02 C ATOM 1590 C THR B 80 62.368 57.398 22.446 1.00 17.06 C ATOM 1591 O THR B 80 61.307 57.998 22.635 1.00 16.34 O ATOM 1592 CB THR B 80 62.375 56.130 20.292 1.00 18.09 C ATOM 1593 OG1 THR B 80 63.481 56.943 19.890 1.00 15.69 O ATOM 1594 CG2 THR B 80 61.085 56.757 19.776 1.00 13.46 C ATOM 1595 HG1 THR B 80 63.392 57.843 20.294 1.00 0.00 H ATOM 1596 H THR B 80 60.330 55.240 21.697 1.00 0.00 H ATOM 1597 N PRO B 81 63.539 57.933 22.800 1.00 16.59 N ATOM 1598 CA PRO B 81 63.570 59.286 23.378 1.00 20.95 C ATOM 1599 C PRO B 81 63.275 60.381 22.372 1.00 23.37 C ATOM 1600 O PRO B 81 62.991 61.517 22.776 1.00 21.40 O ATOM 1601 CB PRO B 81 64.995 59.402 23.932 1.00 23.79 C ATOM 1602 CG PRO B 81 65.796 58.430 23.145 1.00 18.37 C ATOM 1603 CD PRO B 81 64.871 57.303 22.781 1.00 19.13 C ATOM 1604 N VAL B 82 63.317 60.081 21.077 1.00 17.45 N ATOM 1605 CA VAL B 82 63.128 61.089 20.045 1.00 18.17 C ATOM 1606 C VAL B 82 62.454 60.428 18.855 1.00 13.64 C ATOM 1607 O VAL B 82 62.653 59.239 18.588 1.00 15.81 O ATOM 1608 CB VAL B 82 64.475 61.733 19.633 1.00 20.38 C ATOM 1609 CG1 VAL B 82 64.248 62.853 18.628 1.00 30.03 C ATOM 1610 CG2 VAL B 82 65.218 62.260 20.852 1.00 26.91 C ATOM 1611 H VAL B 82 63.490 59.096 20.793 1.00 0.00 H ATOM 1612 N ASN B 83 61.639 61.204 18.146 1.00 14.28 N ATOM 1613 CA ASN B 83 61.056 60.741 16.895 1.00 15.99 C ATOM 1614 C ASN B 83 62.113 60.811 15.798 1.00 16.93 C ATOM 1615 O ASN B 83 62.780 61.841 15.633 1.00 14.34 O ATOM 1616 CB ASN B 83 59.841 61.581 16.507 1.00 18.69 C ATOM 1617 CG ASN B 83 58.674 61.437 17.484 1.00 24.54 C ATOM 1618 OD1 ASN B 83 58.293 60.333 17.881 1.00 22.64 O ATOM 1619 ND2 ASN B 83 58.101 62.564 17.868 1.00 19.23 N ATOM 1620 HD22 ASN B 83 58.453 63.475 17.510 1.00 0.00 H ATOM 1621 HD21 ASN B 83 57.298 62.540 18.529 1.00 0.00 H ATOM 1622 H ASN B 83 61.414 62.159 18.492 1.00 0.00 H ATOM 1623 N ILE B 84 62.244 59.722 15.040 1.00 11.90 N ATOM 1624 CA ILE B 84 63.322 59.525 14.071 1.00 16.24 C ATOM 1625 C ILE B 84 62.701 59.204 12.719 1.00 16.12 C ATOM 1626 O ILE B 84 62.005 58.192 12.581 1.00 12.95 O ATOM 1627 CB ILE B 84 64.269 58.393 14.505 1.00 18.52 C ATOM 1628 CG1 ILE B 84 64.985 58.778 15.801 1.00 19.82 C ATOM 1629 CG2 ILE B 84 65.294 58.063 13.398 1.00 14.21 C ATOM 1630 CD1 ILE B 84 65.661 57.624 16.475 1.00 21.10 C ATOM 1631 H ILE B 84 61.537 58.967 15.144 1.00 0.00 H ATOM 1632 N ILE B 85 62.944 60.061 11.729 1.00 12.03 N ATOM 1633 CA ILE B 85 62.565 59.781 10.347 1.00 14.17 C ATOM 1634 C ILE B 85 63.760 59.121 9.670 1.00 14.87 C ATOM 1635 O ILE B 85 64.805 59.749 9.470 1.00 12.50 O ATOM 1636 CB ILE B 85 62.136 61.047 9.598 1.00 14.17 C ATOM 1637 CG1 ILE B 85 61.053 61.795 10.374 1.00 15.53 C ATOM 1638 CG2 ILE B 85 61.629 60.692 8.204 1.00 13.14 C ATOM 1639 CD1 ILE B 85 59.805 60.965 10.683 1.00 19.24 C ATOM 1640 H ILE B 85 63.420 60.960 11.948 1.00 0.00 H ATOM 1641 N GLY B 86 63.602 57.846 9.317 1.00 11.64 N ATOM 1642 CA GLY B 86 64.671 57.062 8.746 1.00 12.69 C ATOM 1643 C GLY B 86 64.619 57.016 7.226 1.00 10.21 C ATOM 1644 O GLY B 86 63.756 57.599 6.579 1.00 13.72 O ATOM 1645 H GLY B 86 62.674 57.399 9.458 1.00 0.00 H ATOM 1646 N ARG B 87 65.570 56.267 6.662 1.00 13.09 N ATOM 1647 CA ARG B 87 65.771 56.294 5.216 1.00 14.77 C ATOM 1648 C ARG B 87 64.565 55.761 4.452 1.00 17.17 C ATOM 1649 O ARG B 87 64.348 56.147 3.296 1.00 19.59 O ATOM 1650 CB ARG B 87 67.020 55.500 4.847 1.00 12.88 C ATOM 1651 CG ARG B 87 68.312 56.135 5.342 1.00 14.70 C ATOM 1652 CD ARG B 87 69.524 55.443 4.745 1.00 14.91 C ATOM 1653 NE ARG B 87 69.636 54.073 5.227 1.00 14.61 N ATOM 1654 CZ ARG B 87 69.277 52.983 4.554 1.00 15.16 C ATOM 1655 NH1 ARG B 87 68.781 53.059 3.328 1.00 16.75 N ATOM 1656 NH2 ARG B 87 69.425 51.800 5.125 1.00 16.19 N ATOM 1657 HE ARG B 87 70.031 53.935 6.179 1.00 0.00 H ATOM 1658 HH12 ARG B 87 68.508 52.192 2.823 1.00 0.00 H ATOM 1659 HH11 ARG B 87 68.665 53.986 2.871 1.00 0.00 H ATOM 1660 HH22 ARG B 87 69.150 50.938 4.613 1.00 0.00 H ATOM 1661 HH21 ARG B 87 69.817 51.732 6.086 1.00 0.00 H ATOM 1662 H ARG B 87 66.171 55.661 7.256 1.00 0.00 H ATOM 1663 N ASN B 88 63.769 54.884 5.065 1.00 15.48 N ATOM 1664 CA ASN B 88 62.619 54.327 4.357 1.00 16.73 C ATOM 1665 C ASN B 88 61.630 55.414 3.951 1.00 17.43 C ATOM 1666 O ASN B 88 60.951 55.281 2.927 1.00 17.36 O ATOM 1667 CB ASN B 88 61.923 53.265 5.216 1.00 13.06 C ATOM 1668 CG ASN B 88 61.184 53.854 6.388 1.00 17.00 C ATOM 1669 OD1 ASN B 88 61.746 54.613 7.180 1.00 16.66 O ATOM 1670 ND2 ASN B 88 59.906 53.511 6.509 1.00 18.28 N ATOM 1671 HD22 ASN B 88 59.473 52.867 5.817 1.00 0.00 H ATOM 1672 HD21 ASN B 88 59.339 53.886 7.296 1.00 0.00 H ATOM 1673 H ASN B 88 63.967 54.597 6.045 1.00 0.00 H ATOM 1674 N LEU B 89 61.532 56.492 4.726 1.00 14.37 N ATOM 1675 CA LEU B 89 60.701 57.626 4.341 1.00 13.82 C ATOM 1676 C LEU B 89 61.491 58.785 3.746 1.00 15.77 C ATOM 1677 O LEU B 89 60.943 59.532 2.927 1.00 17.83 O ATOM 1678 CB LEU B 89 59.898 58.122 5.550 1.00 14.83 C ATOM 1679 CG LEU B 89 59.006 57.069 6.218 1.00 19.33 C ATOM 1680 CD1 LEU B 89 58.277 57.670 7.407 1.00 20.98 C ATOM 1681 CD2 LEU B 89 58.022 56.485 5.239 1.00 14.88 C ATOM 1682 H LEU B 89 62.058 56.526 5.623 1.00 0.00 H ATOM 1683 N LEU B 90 62.761 58.963 4.125 1.00 14.33 N ATOM 1684 CA LEU B 90 63.542 60.062 3.561 1.00 11.66 C ATOM 1685 C LEU B 90 63.658 59.940 2.046 1.00 18.54 C ATOM 1686 O LEU B 90 63.622 60.950 1.330 1.00 18.93 O ATOM 1687 CB LEU B 90 64.933 60.111 4.194 1.00 10.87 C ATOM 1688 CG LEU B 90 65.027 60.429 5.689 1.00 11.81 C ATOM 1689 CD1 LEU B 90 66.474 60.284 6.167 1.00 13.04 C ATOM 1690 CD2 LEU B 90 64.515 61.810 6.001 1.00 15.00 C ATOM 1691 H LEU B 90 63.192 58.320 4.820 1.00 0.00 H ATOM 1692 N THR B 91 63.822 58.712 1.538 1.00 17.04 N ATOM 1693 CA THR B 91 63.856 58.507 0.092 1.00 18.81 C ATOM 1694 C THR B 91 62.555 58.953 -0.556 1.00 24.45 C ATOM 1695 O THR B 91 62.560 59.511 -1.660 1.00 25.02 O ATOM 1696 CB THR B 91 64.115 57.034 -0.235 1.00 23.56 C ATOM 1697 OG1 THR B 91 63.135 56.219 0.417 1.00 21.22 O ATOM 1698 CG2 THR B 91 65.507 56.606 0.204 1.00 24.01 C ATOM 1699 HG1 THR B 91 63.193 56.355 1.396 1.00 0.00 H ATOM 1700 H THR B 91 63.926 57.898 2.177 1.00 0.00 H ATOM 1701 N GLN B 92 61.425 58.707 0.111 1.00 22.26 N ATOM 1702 CA GLN B 92 60.130 59.018 -0.479 1.00 19.64 C ATOM 1703 C GLN B 92 59.890 60.512 -0.605 1.00 30.59 C ATOM 1704 O GLN B 92 59.068 60.923 -1.430 1.00 28.88 O ATOM 1705 CB GLN B 92 59.011 58.390 0.348 1.00 22.23 C ATOM 1706 CG GLN B 92 59.073 56.886 0.396 1.00 19.19 C ATOM 1707 CD GLN B 92 57.850 56.287 1.048 1.00 23.33 C ATOM 1708 OE1 GLN B 92 56.777 56.887 1.040 1.00 26.62 O ATOM 1709 NE2 GLN B 92 58.008 55.106 1.636 1.00 24.86 N ATOM 1710 HE22 GLN B 92 58.935 54.636 1.617 1.00 0.00 H ATOM 1711 HE21 GLN B 92 57.204 54.652 2.115 1.00 0.00 H ATOM 1712 H GLN B 92 61.470 58.289 1.062 1.00 0.00 H ATOM 1713 N ILE B 93 60.573 61.337 0.191 1.00 22.00 N ATOM 1714 CA ILE B 93 60.397 62.777 0.090 1.00 18.63 C ATOM 1715 C ILE B 93 61.514 63.441 -0.698 1.00 18.65 C ATOM 1716 O ILE B 93 61.545 64.674 -0.792 1.00 28.77 O ATOM 1717 CB ILE B 93 60.253 63.422 1.484 1.00 22.24 C ATOM 1718 CG1 ILE B 93 61.557 63.339 2.284 1.00 22.13 C ATOM 1719 CG2 ILE B 93 59.121 62.746 2.253 1.00 19.37 C ATOM 1720 CD1 ILE B 93 61.530 64.159 3.562 1.00 22.03 C ATOM 1721 H ILE B 93 61.237 60.947 0.890 1.00 0.00 H ATOM 1722 N GLY B 94 62.424 62.662 -1.276 1.00 21.74 N ATOM 1723 CA GLY B 94 63.483 63.208 -2.108 1.00 24.43 C ATOM 1724 C GLY B 94 64.687 63.741 -1.364 1.00 25.19 C ATOM 1725 O GLY B 94 65.420 64.569 -1.913 1.00 23.49 O ATOM 1726 H GLY B 94 62.376 61.634 -1.128 1.00 0.00 H ATOM 1727 N CYS B 95 64.930 63.282 -0.138 1.00 21.69 N ATOM 1728 CA CYS B 95 65.995 63.832 0.693 1.00 21.84 C ATOM 1729 C CYS B 95 67.344 63.228 0.323 1.00 22.61 C ATOM 1730 O CYS B 95 67.468 62.009 0.163 1.00 23.38 O ATOM 1731 CB CYS B 95 65.691 63.580 2.171 1.00 24.58 C ATOM 1732 SG CYS B 95 66.773 64.473 3.314 1.00 21.83 S ATOM 1733 H CYS B 95 64.344 62.509 0.238 1.00 0.00 H ATOM 1734 N THR B 96 68.355 64.086 0.195 1.00 20.57 N ATOM 1735 CA THR B 96 69.721 63.667 -0.079 1.00 18.35 C ATOM 1736 C THR B 96 70.673 64.359 0.886 1.00 14.60 C ATOM 1737 O THR B 96 70.346 65.386 1.484 1.00 18.23 O ATOM 1738 CB THR B 96 70.141 63.989 -1.520 1.00 20.81 C ATOM 1739 OG1 THR B 96 69.880 65.370 -1.799 1.00 21.40 O ATOM 1740 CG2 THR B 96 69.387 63.118 -2.517 1.00 21.92 C ATOM 1741 HG1 THR B 96 68.913 65.551 -1.689 1.00 0.00 H ATOM 1742 H THR B 96 68.159 65.102 0.296 1.00 0.00 H ATOM 1743 N LEU B 97 71.852 63.766 1.045 1.00 19.68 N ATOM 1744 CA LEU B 97 72.984 64.411 1.695 1.00 22.29 C ATOM 1745 C LEU B 97 73.878 65.025 0.632 1.00 21.81 C ATOM 1746 O LEU B 97 74.112 64.419 -0.417 1.00 24.77 O ATOM 1747 CB LEU B 97 73.804 63.421 2.517 1.00 19.84 C ATOM 1748 CG LEU B 97 73.263 62.937 3.852 1.00 24.31 C ATOM 1749 CD1 LEU B 97 74.125 61.779 4.342 1.00 25.53 C ATOM 1750 CD2 LEU B 97 73.270 64.061 4.865 1.00 18.85 C ATOM 1751 H LEU B 97 71.971 62.796 0.689 1.00 0.00 H ATOM 1752 N ASN B 98 74.402 66.213 0.918 1.00 22.26 N ATOM 1753 CA ASN B 98 75.188 66.956 -0.057 1.00 27.14 C ATOM 1754 C ASN B 98 76.358 67.639 0.627 1.00 23.85 C ATOM 1755 O ASN B 98 76.167 68.365 1.608 1.00 21.45 O ATOM 1756 CB ASN B 98 74.328 68.004 -0.764 1.00 24.56 C ATOM 1757 CG ASN B 98 73.111 67.406 -1.417 1.00 27.14 C ATOM 1758 OD1 ASN B 98 72.084 67.180 -0.769 1.00 26.26 O ATOM 1759 ND2 ASN B 98 73.211 67.151 -2.714 1.00 25.82 N ATOM 1760 HD22 ASN B 98 74.097 67.358 -3.218 1.00 0.00 H ATOM 1761 HD21 ASN B 98 72.404 66.744 -3.228 1.00 0.00 H ATOM 1762 H ASN B 98 74.247 66.622 1.862 1.00 0.00 H ATOM 1763 N PHE B 99 77.558 67.419 0.094 1.00 23.32 N ATOM 1764 CA PHE B 99 78.744 68.150 0.530 1.00 24.68 C ATOM 1765 C PHE B 99 79.805 68.155 -0.564 1.00 36.29 C ATOM 1766 O PHE B 99 80.788 68.898 -0.488 1.00 32.85 O ATOM 1767 CB PHE B 99 79.316 67.560 1.824 1.00 23.04 C ATOM 1768 CG PHE B 99 79.771 66.138 1.709 1.00 23.17 C ATOM 1769 CD1 PHE B 99 78.898 65.096 1.971 1.00 23.88 C ATOM 1770 CD2 PHE B 99 81.084 65.840 1.381 1.00 26.57 C ATOM 1771 CE1 PHE B 99 79.321 63.782 1.885 1.00 23.55 C ATOM 1772 CE2 PHE B 99 81.512 64.530 1.292 1.00 32.04 C ATOM 1773 CZ PHE B 99 80.632 63.500 1.546 1.00 31.10 C ATOM 1774 OXT PHE B 99 79.695 67.426 -1.551 1.00 35.23 O ATOM 1775 H PHE B 99 77.653 66.705 -0.656 1.00 0.00 H TER 1776 PHE B 99 HETATM 1777 O HOH 1 56.355 62.636 -1.119 1.00 21.87 O HETATM 1778 O HOH 2 61.215 71.085 16.833 1.00 34.09 O HETATM 1779 O HOH 3 60.067 52.039 9.503 1.00 22.85 O HETATM 1780 O HOH 4 47.223 49.216 17.265 1.00 30.66 O HETATM 1781 O HOH 5 46.397 66.854 15.473 1.00 27.53 O HETATM 1782 O HOH 6 60.331 53.286 1.512 1.00 30.62 O HETATM 1783 O HOH 7 69.435 71.259 11.329 1.00 17.74 O HETATM 1784 O HOH 8 69.598 75.323 8.110 1.00 32.52 O HETATM 1785 O HOH 9 55.185 72.966 13.395 1.00 35.19 O HETATM 1786 O HOH 10 71.662 74.477 11.258 1.00 23.51 O HETATM 1787 O HOH 11 81.763 70.670 1.144 1.00 29.94 O HETATM 1788 O HOH 12 48.651 58.572 9.402 1.00 21.38 O HETATM 1789 O HOH 13 67.586 66.160 -2.867 1.00 28.02 O HETATM 1790 O HOH 14 71.480 52.540 9.439 1.00 17.65 O HETATM 1791 O HOH 15 57.783 64.837 -2.096 1.00 25.94 O HETATM 1792 O HOH 16 44.348 61.140 15.976 1.00 23.54 O HETATM 1793 O HOH 17 66.790 71.825 15.914 1.00 23.72 O HETATM 1794 O HOH 18 62.193 48.140 25.079 1.00 23.19 O HETATM 1795 O HOH 19 67.272 59.695 -1.266 1.00 17.47 O HETATM 1796 O HOH 20 71.323 54.427 7.443 1.00 14.53 O HETATM 1797 O HOH 21 64.498 65.234 -4.411 1.00 17.81 O HETATM 1798 O HOH 22 50.141 52.386 24.342 1.00 40.95 O HETATM 1799 O HOH 23 58.598 51.658 4.684 1.00 22.64 O HETATM 1800 O HOH 24 59.538 71.568 0.195 1.00 30.48 O HETATM 1801 O HOH 25 58.964 71.480 9.882 1.00 29.03 O HETATM 1802 O HOH 26 66.290 76.115 1.747 1.00 45.80 O HETATM 1803 O HOH 27 71.561 49.953 28.465 1.00 37.26 O HETATM 1804 O HOH 28 65.394 46.822 10.699 1.00 26.35 O HETATM 1805 O HOH 29 61.272 63.886 18.781 1.00 30.21 O HETATM 1806 O HOH 30 72.024 50.267 14.667 1.00 24.76 O HETATM 1807 O HOH 31 66.804 51.138 2.866 1.00 32.31 O HETATM 1808 O HOH 32 54.934 49.732 4.969 1.00 22.08 O HETATM 1809 O HOH 33 61.026 45.212 9.955 1.00 29.38 O HETATM 1810 O HOH 34 50.651 47.036 10.304 1.00 26.70 O HETATM 1811 O HOH 35 49.668 61.763 7.826 1.00 29.64 O HETATM 1812 O HOH 36 48.622 67.214 16.934 1.00 27.09 O HETATM 1813 O HOH 37 75.961 71.186 1.213 1.00 22.60 O HETATM 1814 O HOH 38 50.780 65.460 18.840 1.00 32.62 O HETATM 1815 O HOH 39 65.707 66.388 19.963 1.00 29.45 O HETATM 1816 O HOH 40 57.190 48.212 22.793 1.00 32.73 O HETATM 1817 O HOH 41 65.615 51.546 4.723 1.00 25.24 O HETATM 1818 O HOH 42 54.804 69.812 16.208 1.00 26.28 O HETATM 1819 O HOH 43 69.255 46.094 25.377 1.00 29.99 O HETATM 1820 O HOH 44 56.979 65.864 19.068 1.00 24.93 O HETATM 1821 O HOH 45 58.627 57.210 23.617 1.00 29.04 O HETATM 1822 O HOH 46 69.963 71.147 18.324 1.00 22.62 O HETATM 1823 O HOH 47 54.949 47.816 22.510 1.00 39.64 O HETATM 1824 O HOH 48 48.617 43.206 16.035 1.00 32.11 O HETATM 1825 O HOH 49 68.659 47.282 14.778 1.00 16.82 O HETATM 1826 O HOH 50 77.272 72.715 16.023 1.00 32.92 O HETATM 1827 O HOH 51 47.327 61.642 9.313 1.00 34.93 O HETATM 1828 O HOH 52 48.817 57.905 22.713 1.00 32.15 O HETATM 1829 O HOH 53 60.711 59.215 -4.496 1.00 31.63 O HETATM 1830 O HOH 54 61.015 47.131 9.111 1.00 32.51 O HETATM 1831 O HOH 55 67.157 49.250 4.325 1.00 43.85 O HETATM 1832 O HOH 56 68.422 75.099 10.178 1.00 35.93 O HETATM 1833 O HOH 57 63.580 40.641 28.755 1.00 29.85 O HETATM 1834 O HOH 58 53.675 68.546 8.197 1.00 34.25 O HETATM 1835 O HOH 59 54.621 68.940 18.934 1.00 39.87 O HETATM 1836 O HOH 60 76.738 77.169 6.399 1.00 33.05 O HETATM 1837 O HOH 61 59.786 57.465 -3.682 1.00 29.52 O HETATM 1838 O HOH 62 66.315 68.662 20.448 1.00 30.71 O HETATM 1839 O HOH 63 56.820 62.377 26.547 1.00 31.32 O HETATM 1840 O HOH 64 68.199 71.422 19.157 1.00 37.90 O HETATM 1841 O HOH 65 68.141 74.888 -1.839 1.00 37.18 O HETATM 1842 O HOH 66 63.211 66.045 19.774 1.00 24.36 O HETATM 1843 O HOH 67 80.940 65.832 19.804 1.00 26.49 O HETATM 1844 O HOH 68 91.487 66.448 9.321 1.00 35.23 O HETATM 1845 O HOH 69 77.629 67.390 21.119 1.00 38.24 O HETATM 1846 O HOH 70 80.750 49.282 7.885 1.00 34.43 O HETATM 1847 O HOH 71 77.939 53.981 0.614 1.00 35.43 O HETATM 1848 O HOH 72 73.459 56.267 0.646 1.00 22.68 O HETATM 1849 O HOH 73 93.957 61.230 13.201 1.00 23.22 O HETATM 1850 O HOH 74 89.208 71.497 15.609 1.00 19.03 O HETATM 1851 O HOH 75 91.857 64.349 23.822 1.00 34.34 O HETATM 1852 O HOH 76 75.733 51.495 1.658 1.00 23.35 O HETATM 1853 O HOH 77 75.789 71.753 7.863 1.00 17.61 O HETATM 1854 O HOH 78 65.898 53.713 25.664 1.00 26.23 O HETATM 1855 O HOH 79 81.250 47.989 18.603 1.00 19.98 O HETATM 1856 O HOH 80 71.526 55.101 19.331 1.00 13.16 O HETATM 1857 O HOH 81 86.701 70.402 5.283 1.00 29.96 O HETATM 1858 O HOH 82 61.847 66.372 -3.028 1.00 38.03 O HETATM 1859 O HOH 83 82.969 70.540 15.292 1.00 24.71 O HETATM 1860 O HOH 84 70.382 56.629 -6.288 1.00 23.13 O HETATM 1861 O HOH 85 71.052 65.368 15.127 1.00 12.75 O HETATM 1862 O HOH 86 79.910 46.625 13.949 1.00 30.59 O HETATM 1863 O HOH 87 87.749 68.701 19.339 1.00 19.91 O HETATM 1864 O HOH 88 73.661 50.989 29.677 1.00 24.77 O HETATM 1865 O HOH 89 77.156 68.479 17.541 1.00 20.23 O HETATM 1866 O HOH 90 93.012 61.595 8.762 1.00 29.90 O HETATM 1867 O HOH 91 71.277 55.306 -2.426 1.00 20.84 O HETATM 1868 O HOH 92 70.508 64.219 17.595 1.00 13.41 O HETATM 1869 O HOH 93 68.321 72.510 -1.451 1.00 33.62 O HETATM 1870 O HOH 94 75.879 50.140 22.834 1.00 20.91 O HETATM 1871 O HOH 95 82.034 63.387 18.906 1.00 14.86 O HETATM 1872 O HOH 96 75.212 65.622 22.375 1.00 35.73 O HETATM 1873 O HOH 97 73.666 70.826 18.357 1.00 28.21 O HETATM 1874 O HOH 98 75.792 70.434 17.288 1.00 33.17 O HETATM 1875 O HOH 99 76.336 59.318 -4.900 1.00 33.91 O HETATM 1876 O HOH 100 83.749 48.483 19.930 1.00 18.86 O HETATM 1877 O HOH 101 81.184 50.104 11.950 1.00 24.37 O HETATM 1878 O HOH 102 74.252 61.662 25.634 1.00 28.44 O HETATM 1879 O HOH 103 79.956 62.200 30.463 1.00 29.86 O HETATM 1880 O HOH 104 93.614 48.983 16.775 1.00 33.72 O HETATM 1881 O HOH 105 69.204 58.609 25.438 1.00 29.16 O HETATM 1882 O HOH 106 84.025 68.463 17.532 1.00 20.32 O HETATM 1883 O HOH 107 86.571 52.167 14.784 1.00 32.70 O HETATM 1884 O HOH 108 79.414 51.134 28.702 1.00 18.85 O HETATM 1885 O HOH 109 75.816 50.064 28.466 1.00 34.51 O HETATM 1886 O HOH 110 71.455 50.819 12.518 1.00 27.49 O HETATM 1887 O HOH 111 79.678 72.172 14.762 1.00 34.89 O HETATM 1888 O HOH 112 86.002 49.794 11.522 1.00 36.07 O HETATM 1889 O HOH 113 74.095 58.475 -4.395 1.00 33.30 O HETATM 1890 O HOH 114 82.077 74.188 6.845 1.00 34.99 O HETATM 1891 O HOH 115 82.385 65.227 -5.079 1.00 41.66 O HETATM 1892 O HOH 116 94.748 60.887 10.636 1.00 32.85 O HETATM 1893 O HOH 117 72.777 49.447 2.487 1.00 31.05 O HETATM 1894 O HOH 118 83.656 56.761 0.268 1.00 27.08 O HETATM 1895 O HOH 119 85.840 49.486 9.170 1.00 29.63 O HETATM 1896 O HOH 120 82.259 49.625 9.814 1.00 31.82 O HETATM 1897 O HOH 121 73.541 50.589 10.424 1.00 30.97 O HETATM 1898 O HOH 122 72.872 45.076 10.001 1.00 39.41 O HETATM 1899 O HOH 123 91.692 47.876 21.077 1.00 45.12 O HETATM 1900 O HOH 124 65.342 52.171 1.643 1.00 37.81 O HETATM 1901 O HOH 125 71.773 70.888 19.247 1.00 32.23 O HETATM 1902 O HOH 126 82.654 52.830 0.926 1.00 39.29 O HETATM 1903 O HOH 127 73.338 69.944 20.367 1.00 40.80 O HETATM 1904 O HOH 128 81.167 65.551 23.144 1.00 36.24 O HETATM 1905 O HOH 129 84.879 68.828 27.289 1.00 43.84 O HETATM 1906 O HOH 130 85.322 48.387 7.384 1.00 40.02 O HETATM 1907 O HOH 131 78.728 50.784 1.217 1.00 36.74 O HETATM 1908 O HOH 132 78.834 74.896 6.159 1.00 32.80 O HETATM 1909 O HOH 133 67.474 68.331 -4.483 1.00 24.92 O HETATM 1910 O HOH 134 84.320 65.644 -3.858 1.00 42.52 O HETATM 1911 C13 NF A 7 71.047 57.633 15.158 1.00 0.09 C HETATM 1912 C15 NF A 7 70.683 57.983 16.624 1.00 0.07 C HETATM 1913 C28 NF A 7 69.313 58.662 16.713 1.00 -0.02 C HETATM 1914 C29 NF A 7 69.051 59.085 18.180 1.00 -0.04 C HETATM 1915 C30 NF A 7 69.193 60.551 18.589 1.00 -0.05 C HETATM 1916 C31 NF A 7 68.937 60.968 20.026 1.00 -0.05 C HETATM 1917 C32 NF A 7 68.531 59.916 21.079 1.00 -0.05 C HETATM 1918 C33 NF A 7 68.389 58.438 20.670 1.00 -0.05 C HETATM 1919 C34 NF A 7 68.635 58.021 19.241 1.00 -0.05 C HETATM 1920 H31 NF A 7 69.434 57.266 19.264 1.00 0.03 H HETATM 1921 H32 NF A 7 67.704 57.559 18.880 1.00 0.03 H HETATM 1922 H29 NF A 7 67.359 58.139 20.915 1.00 0.03 H HETATM 1923 H30 NF A 7 69.094 57.868 21.293 1.00 0.03 H HETATM 1924 H27 NF A 7 67.557 60.229 21.483 1.00 0.03 H HETATM 1925 H28 NF A 7 69.288 59.954 21.876 1.00 0.03 H HETATM 1926 H25 NF A 7 68.132 61.717 20.000 1.00 0.03 H HETATM 1927 H26 NF A 7 69.863 61.438 20.389 1.00 0.03 H HETATM 1928 H23 NF A 7 68.493 61.124 17.963 1.00 0.03 H HETATM 1929 H24 NF A 7 70.225 60.848 18.352 1.00 0.03 H HETATM 1930 H22 NF A 7 70.111 58.913 18.420 1.00 0.03 H HETATM 1931 H9 NF A 7 68.532 57.959 16.387 1.00 0.03 H HETATM 1932 H10 NF A 7 69.300 59.551 16.065 1.00 0.03 H HETATM 1933 N16 NF A 7 71.668 58.920 17.070 1.00 -0.26 N HETATM 1934 C17 NF A 7 72.645 58.606 18.168 1.00 0.32 C HETATM 1935 O18 NF A 7 72.673 57.551 18.747 1.00 -0.38 O HETATM 1936 O19 NF A 7 73.511 59.681 18.445 1.00 -0.26 O HETATM 1937 C20 NF A 7 74.291 59.669 19.653 1.00 0.12 C HETATM 1938 C21 NF A 7 75.743 60.282 19.208 1.00 0.08 C HETATM 1939 O22 NF A 7 75.504 61.589 19.065 1.00 -0.35 O HETATM 1940 C24 NF A 7 74.459 61.926 20.160 1.00 0.16 C HETATM 1941 C23 NF A 7 73.850 60.523 20.572 1.00 0.04 C HETATM 1942 C25 NF A 7 72.360 60.749 20.588 1.00 -0.02 C HETATM 1943 C26 NF A 7 72.128 61.804 19.846 1.00 0.05 C HETATM 1944 O27 NF A 7 73.532 62.626 19.682 1.00 -0.35 O HETATM 1945 H7 NF A 7 71.376 62.443 20.331 1.00 0.06 H HETATM 1946 H8 NF A 7 71.761 61.492 18.857 1.00 0.06 H HETATM 1947 H20 NF A 7 71.840 59.873 20.173 1.00 0.03 H HETATM 1948 H21 NF A 7 72.015 60.927 21.617 1.00 0.03 H HETATM 1949 H19 NF A 7 74.189 60.203 21.568 1.00 0.04 H HETATM 1950 H6 NF A 7 74.927 62.435 21.015 1.00 0.09 H HETATM 1951 H4 NF A 7 76.082 59.839 18.260 1.00 0.06 H HETATM 1952 H5 NF A 7 76.499 60.104 19.987 1.00 0.06 H HETATM 1953 H3 NF A 7 74.364 58.651 20.063 1.00 0.07 H HETATM 1954 H43 NF A 7 71.708 59.819 16.634 1.00 0.19 H HETATM 1955 H2 NF A 7 70.693 57.076 17.246 1.00 0.06 H HETATM 1956 C12 NF A 7 70.179 56.482 14.661 1.00 0.06 C HETATM 1957 N10 NF A 7 70.572 55.249 15.415 1.00 -0.23 N HETATM 1958 C11 NF A 7 71.419 54.238 14.710 1.00 0.03 C HETATM 1959 C36 NF A 7 72.956 54.636 14.753 1.00 -0.03 C HETATM 1960 C37 NF A 7 73.467 54.619 16.190 1.00 -0.06 C HETATM 1961 H36 NF A 7 74.531 54.896 16.204 1.00 0.02 H HETATM 1962 H37 NF A 7 73.346 53.610 16.610 1.00 0.02 H HETATM 1963 H38 NF A 7 72.893 55.339 16.792 1.00 0.02 H HETATM 1964 C40 NF A 7 73.757 53.591 13.923 1.00 -0.06 C HETATM 1965 H40 NF A 7 73.397 53.594 12.884 1.00 0.02 H HETATM 1966 H41 NF A 7 73.614 52.590 14.357 1.00 0.02 H HETATM 1967 H42 NF A 7 74.826 53.850 13.941 1.00 0.02 H HETATM 1968 H35 NF A 7 73.091 55.640 14.325 1.00 0.03 H HETATM 1969 H15 NF A 7 71.289 53.260 15.197 1.00 0.05 H HETATM 1970 H16 NF A 7 71.096 54.170 13.661 1.00 0.05 H HETATM 1971 S07 NF A 7 69.345 54.590 16.443 1.00 0.07 S HETATM 1972 C04 NF A 7 68.532 53.371 15.349 1.00 0.10 C HETATM 1973 C03 NF A 7 67.507 53.839 14.360 1.00 -0.04 C HETATM 1974 C02 NF A 7 66.870 52.796 13.437 1.00 -0.06 C HETATM 1975 C01 NF A 7 67.312 51.345 13.579 1.00 -0.01 C HETATM 1976 C06 NF A 7 68.369 50.888 14.563 1.00 -0.06 C HETATM 1977 C05 NF A 7 68.989 51.919 15.480 1.00 -0.04 C HETATM 1978 H13 NF A 7 69.738 51.635 16.211 1.00 0.06 H HETATM 1979 H14 NF A 7 68.673 49.849 14.609 1.00 0.06 H HETATM 1980 C38 NF A 7 66.708 50.306 12.634 1.00 0.11 C HETATM 1981 C35 NF A 7 67.892 49.820 11.833 1.00 0.08 C HETATM 1982 O41 NF A 7 68.665 50.924 11.449 1.00 -0.39 O HETATM 1983 H46 NF A 7 68.137 51.510 10.919 1.00 0.21 H HETATM 1984 H33 NF A 7 67.538 49.288 10.938 1.00 0.06 H HETATM 1985 H34 NF A 7 68.500 49.140 12.448 1.00 0.06 H HETATM 1986 O39 NF A 7 65.828 50.974 11.800 1.00 -0.38 O HETATM 1987 H45 NF A 7 65.529 50.383 11.119 1.00 0.21 H HETATM 1988 H39 NF A 7 66.208 49.487 13.171 1.00 0.08 H HETATM 1989 H11 NF A 7 66.125 53.082 12.703 1.00 0.06 H HETATM 1990 H12 NF A 7 67.225 54.884 14.300 1.00 0.06 H HETATM 1991 O08 NF A 7 68.401 55.596 16.937 1.00 -0.15 O HETATM 1992 O09 NF A 7 69.916 53.909 17.609 1.00 -0.15 O HETATM 1993 H17 NF A 7 70.342 56.329 13.584 1.00 0.05 H HETATM 1994 H18 NF A 7 69.118 56.709 14.843 1.00 0.05 H HETATM 1995 O14 NF A 7 70.843 58.745 14.360 1.00 -0.39 O HETATM 1996 H44 NF A 7 71.076 58.537 13.463 1.00 0.21 H HETATM 1997 H1 NF A 7 72.105 57.336 15.107 1.00 0.06 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 874 875 880 881 882 CONECT 881 874 CONECT 882 874 CONECT 1911 1912 1956 1995 1997 CONECT 1912 1911 1913 1933 1955 CONECT 1913 1912 1914 1931 1932 CONECT 1914 1913 1915 1919 1930 CONECT 1915 1914 1916 1928 1929 CONECT 1916 1915 1917 1926 1927 CONECT 1917 1916 1918 1924 1925 CONECT 1918 1917 1919 1922 1923 CONECT 1919 1914 1918 1920 1921 CONECT 1920 1919 CONECT 1921 1919 CONECT 1922 1918 CONECT 1923 1918 CONECT 1924 1917 CONECT 1925 1917 CONECT 1926 1916 CONECT 1927 1916 CONECT 1928 1915 CONECT 1929 1915 CONECT 1930 1914 CONECT 1931 1913 CONECT 1932 1913 CONECT 1933 1912 1934 1954 CONECT 1934 1933 1935 1936 CONECT 1935 1934 CONECT 1936 1934 1937 CONECT 1937 1936 1938 1941 1953 CONECT 1938 1937 1939 1951 1952 CONECT 1939 1938 1940 CONECT 1940 1939 1941 1944 1950 CONECT 1941 1937 1940 1942 1949 CONECT 1942 1941 1943 1947 1948 CONECT 1943 1942 1944 1945 1946 CONECT 1944 1940 1943 CONECT 1945 1943 CONECT 1946 1943 CONECT 1947 1942 CONECT 1948 1942 CONECT 1949 1941 CONECT 1950 1940 CONECT 1951 1938 CONECT 1952 1938 CONECT 1953 1937 CONECT 1954 1933 CONECT 1955 1912 CONECT 1956 1911 1957 1993 1994 CONECT 1957 1956 1958 1971 CONECT 1958 1957 1959 1969 1970 CONECT 1959 1958 1960 1964 1968 CONECT 1960 1959 1961 1962 1963 CONECT 1961 1960 CONECT 1962 1960 CONECT 1963 1960 CONECT 1964 1959 1965 1966 1967 CONECT 1965 1964 CONECT 1966 1964 CONECT 1967 1964 CONECT 1968 1959 CONECT 1969 1958 CONECT 1970 1958 CONECT 1971 1957 1972 1991 1992 CONECT 1972 1971 1973 1977 CONECT 1973 1972 1974 1990 CONECT 1974 1973 1975 1989 CONECT 1975 1974 1976 1980 CONECT 1976 1975 1977 1979 CONECT 1977 1972 1976 1978 CONECT 1978 1977 CONECT 1979 1976 CONECT 1980 1975 1981 1986 1988 CONECT 1981 1980 1982 1984 1985 CONECT 1982 1981 1983 CONECT 1983 1982 CONECT 1984 1981 CONECT 1985 1981 CONECT 1986 1980 1987 CONECT 1987 1986 CONECT 1988 1980 CONECT 1989 1974 CONECT 1990 1973 CONECT 1991 1971 CONECT 1992 1971 CONECT 1993 1956 CONECT 1994 1956 CONECT 1995 1911 1996 CONECT 1996 1995 CONECT 1997 1911 MASTER 0 0 0 0 0 0 0 0 1995 2 93 16 END
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Structure:
Ligand 2D
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Protein
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Related entries of code: 6oxx
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%
6oxw
RCSB PDB
PDBbind
99aa, >6OXW_1|Chains... at 91%
6oxv
RCSB PDB
PDBbind
99aa, >6OXV_1|Chains... at 91%
6oxu
RCSB PDB
PDBbind
99aa, >6OXU_1|Chains... at 91%
6oxt
RCSB PDB
PDBbind
99aa, >6OXT_1|Chains... at 91%
6oxs
RCSB PDB
PDBbind
99aa, >6OXS_1|Chains... at 91%
6oxr
RCSB PDB
PDBbind
99aa, >6OXR_1|Chains... at 91%
6oxq
RCSB PDB
PDBbind
99aa, >6OXQ_1|Chains... at 91%
6oxp
RCSB PDB
PDBbind
99aa, >6OXP_1|Chains... at 91%
6oou
RCSB PDB
PDBbind
99aa, >6OOU_1|Chains... at 90%
6oos
RCSB PDB
PDBbind
99aa, >6OOS_1|Chains... at 90%
6oy1
RCSB PDB
PDBbind
99aa, >6OY1_1|Chains... at 91%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6oxx
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
HIV-1 Protease NL4-3 WT
Ligand Name
NF7
EC.Number
E.C.-.-.-.-
Resolution
1.96(Å)
Affinity (Kd/Ki/IC50)
Ki=0.098nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Med.Chem. Vol. 62: pp. 8062-8079
Ligand Properties
Formula
C
2
9
H
4
6
N
2
O
9
S
Molecular Weight
598.749
Exact Mass
598.292
No. of atoms
87
No. of bonds
90
Polar Surface Area
163.24
LOGP Value
3.22 (
Computed with XLOGP3
)
4.02 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 18
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 4
Canonical SMILES
OC[C@@H](c1ccc(cc1)S(=O)(=O)N(C[C@H]([C@@H](NC(=O)O[C@H]1CO[C@@H]2[C@H]1CCO2)CC1CCCCC1)O)CC(C)C)O
InChI String
InChI=1S/C29H46N2O9S/c1-19(2)15-31(41(36,37)22-10-8-21(9-11-22)26(34)17-32)16-25(33)24(14-20-6-4-3-5-7-20)30-29(35)40-27-18-39-28-23(27)12-13-38-28/h8-11,19-20,23-28,32-34H,3-7,12-18H2,1-2H3,(H,30,35)/t23-,24-,25+,26-,27-,28+/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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