Browse entries in the PDBbind-CN Database
HEADER 6DGZ_COMPLEX COMPND 6DGZ_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 A A 60 87 ATOM 1 N PRO A 1 79.827 66.222 -3.144 1.00 66.19 N ATOM 2 CA PRO A 1 78.895 65.416 -3.938 1.00 65.89 C ATOM 3 C PRO A 1 77.503 65.350 -3.314 1.00 51.17 C ATOM 4 O PRO A 1 77.341 65.677 -2.138 1.00 50.01 O ATOM 5 CB PRO A 1 79.556 64.038 -3.950 1.00 76.80 C ATOM 6 CG PRO A 1 80.298 63.981 -2.648 1.00 61.68 C ATOM 7 CD PRO A 1 80.773 65.384 -2.384 1.00 56.40 C ATOM 8 HN2 PRO A 1 79.283 66.805 -2.476 1.00 0.00 H ATOM 9 HN1 PRO A 1 80.365 66.841 -3.783 1.00 0.00 H ATOM 10 N GLN A 2 76.516 64.944 -4.105 1.00 37.84 N ATOM 11 CA GLN A 2 75.157 64.723 -3.630 1.00 40.89 C ATOM 12 C GLN A 2 74.962 63.235 -3.360 1.00 39.17 C ATOM 13 O GLN A 2 75.268 62.400 -4.217 1.00 40.65 O ATOM 14 CB GLN A 2 74.138 65.222 -4.656 1.00 47.59 C ATOM 15 CG GLN A 2 72.682 65.070 -4.239 1.00 30.24 C ATOM 16 CD GLN A 2 71.757 65.970 -5.040 1.00 39.20 C ATOM 17 OE1 GLN A 2 71.391 67.052 -4.593 1.00 39.22 O ATOM 18 NE2 GLN A 2 71.382 65.526 -6.235 1.00 45.89 N ATOM 19 HE22 GLN A 2 71.716 64.602 -6.575 1.00 0.00 H ATOM 20 HE21 GLN A 2 70.754 66.103 -6.830 1.00 0.00 H ATOM 21 H GLN A 2 76.723 64.776 -5.110 1.00 0.00 H ATOM 22 N ILE A 3 74.457 62.907 -2.174 1.00 34.34 N ATOM 23 CA ILE A 3 74.330 61.525 -1.721 1.00 32.70 C ATOM 24 C ILE A 3 72.854 61.254 -1.467 1.00 29.59 C ATOM 25 O ILE A 3 72.207 61.977 -0.697 1.00 24.87 O ATOM 26 CB ILE A 3 75.176 61.263 -0.464 1.00 32.96 C ATOM 27 CG1 ILE A 3 76.654 61.527 -0.764 1.00 30.16 C ATOM 28 CG2 ILE A 3 74.999 59.825 0.030 1.00 23.90 C ATOM 29 CD1 ILE A 3 77.550 61.502 0.464 1.00 35.88 C ATOM 30 H ILE A 3 74.139 63.669 -1.541 1.00 0.00 H ATOM 31 N THR A 4 72.315 60.244 -2.144 1.00 25.51 N ATOM 32 CA THR A 4 70.956 59.782 -1.906 1.00 21.40 C ATOM 33 C THR A 4 70.971 58.737 -0.797 1.00 20.70 C ATOM 34 O THR A 4 72.018 58.196 -0.438 1.00 23.30 O ATOM 35 CB THR A 4 70.342 59.188 -3.179 1.00 25.71 C ATOM 36 OG1 THR A 4 71.186 58.148 -3.679 1.00 28.83 O ATOM 37 CG2 THR A 4 70.165 60.256 -4.254 1.00 32.65 C ATOM 38 HG1 THR A 4 70.787 57.767 -4.501 1.00 0.00 H ATOM 39 H THR A 4 72.886 59.767 -2.870 1.00 0.00 H ATOM 40 N LEU A 5 69.789 58.453 -0.253 1.00 23.34 N ATOM 41 CA LEU A 5 69.690 57.702 0.990 1.00 23.13 C ATOM 42 C LEU A 5 69.046 56.329 0.808 1.00 26.35 C ATOM 43 O LEU A 5 68.609 55.719 1.791 1.00 24.35 O ATOM 44 CB LEU A 5 68.930 58.538 2.017 1.00 24.58 C ATOM 45 CG LEU A 5 69.628 59.874 2.290 1.00 19.68 C ATOM 46 CD1 LEU A 5 68.767 60.751 3.164 1.00 17.78 C ATOM 47 CD2 LEU A 5 70.994 59.660 2.934 1.00 19.37 C ATOM 48 H LEU A 5 68.920 58.774 -0.725 1.00 0.00 H ATOM 49 N TRP A 6 69.005 55.820 -0.429 1.00 30.20 N ATOM 50 CA TRP A 6 68.477 54.480 -0.673 1.00 21.56 C ATOM 51 C TRP A 6 69.345 53.419 -0.020 1.00 23.43 C ATOM 52 O TRP A 6 68.844 52.352 0.354 1.00 27.63 O ATOM 53 CB TRP A 6 68.372 54.216 -2.180 1.00 32.67 C ATOM 54 CG TRP A 6 67.589 55.254 -2.902 1.00 32.02 C ATOM 55 CD1 TRP A 6 68.085 56.280 -3.661 1.00 38.48 C ATOM 56 CD2 TRP A 6 66.167 55.386 -2.929 1.00 31.26 C ATOM 57 NE1 TRP A 6 67.054 57.042 -4.156 1.00 36.94 N ATOM 58 CE2 TRP A 6 65.866 56.510 -3.725 1.00 24.09 C ATOM 59 CE3 TRP A 6 65.119 54.663 -2.361 1.00 33.16 C ATOM 60 CZ2 TRP A 6 64.561 56.927 -3.961 1.00 29.14 C ATOM 61 CZ3 TRP A 6 63.824 55.076 -2.598 1.00 31.35 C ATOM 62 CH2 TRP A 6 63.555 56.195 -3.389 1.00 38.71 C ATOM 63 HE1 TRP A 6 67.158 57.883 -4.758 1.00 0.00 H ATOM 64 H TRP A 6 69.354 56.387 -1.228 1.00 0.00 H ATOM 65 N LYS A 7 70.637 53.685 0.115 1.00 21.09 N ATOM 66 CA LYS A 7 71.547 52.861 0.889 1.00 26.14 C ATOM 67 C LYS A 7 72.101 53.697 2.036 1.00 25.26 C ATOM 68 O LYS A 7 71.963 54.923 2.062 1.00 25.81 O ATOM 69 CB LYS A 7 72.679 52.311 0.007 1.00 27.57 C ATOM 70 H LYS A 7 71.018 54.529 -0.359 1.00 0.00 H ATOM 71 N ARG A 8 72.719 53.027 3.001 1.00 24.45 N ATOM 72 CA ARG A 8 73.362 53.744 4.094 1.00 21.26 C ATOM 73 C ARG A 8 74.422 54.686 3.525 1.00 20.91 C ATOM 74 O ARG A 8 75.197 54.281 2.645 1.00 19.67 O ATOM 75 CB ARG A 8 74.009 52.771 5.076 1.00 26.16 C ATOM 76 CG ARG A 8 73.030 52.082 6.025 1.00 27.39 C ATOM 77 CD ARG A 8 73.752 51.503 7.265 1.00 35.92 C ATOM 78 NE ARG A 8 72.821 50.916 8.235 1.00 43.77 N ATOM 79 CZ ARG A 8 73.159 50.446 9.438 1.00 40.55 C ATOM 80 NH1 ARG A 8 74.419 50.473 9.856 1.00 34.40 N ATOM 81 NH2 ARG A 8 72.227 49.939 10.237 1.00 38.12 N ATOM 82 HE ARG A 8 71.818 50.862 7.964 1.00 0.00 H ATOM 83 HH12 ARG A 8 74.663 50.102 10.797 1.00 0.00 H ATOM 84 HH11 ARG A 8 75.162 50.865 9.243 1.00 0.00 H ATOM 85 HH22 ARG A 8 72.489 49.573 11.174 1.00 0.00 H ATOM 86 HH21 ARG A 8 71.235 49.908 9.925 1.00 0.00 H ATOM 87 H ARG A 8 72.744 51.988 2.977 1.00 0.00 H ATOM 88 N PRO A 9 74.490 55.936 3.980 1.00 23.00 N ATOM 89 CA PRO A 9 75.537 56.858 3.472 1.00 16.78 C ATOM 90 C PRO A 9 76.913 56.590 4.074 1.00 20.87 C ATOM 91 O PRO A 9 77.430 57.317 4.942 1.00 17.63 O ATOM 92 CB PRO A 9 74.978 58.226 3.862 1.00 16.95 C ATOM 93 CG PRO A 9 74.129 57.974 5.053 1.00 15.66 C ATOM 94 CD PRO A 9 73.507 56.627 4.835 1.00 21.24 C ATOM 95 N LEU A 10 77.540 55.516 3.595 1.00 20.40 N ATOM 96 CA LEU A 10 78.844 55.077 4.084 1.00 20.76 C ATOM 97 C LEU A 10 79.957 55.682 3.240 1.00 26.42 C ATOM 98 O LEU A 10 79.865 55.728 2.010 1.00 29.85 O ATOM 99 CB LEU A 10 78.947 53.548 4.054 1.00 29.39 C ATOM 100 CG LEU A 10 78.039 52.804 5.036 1.00 31.41 C ATOM 101 CD1 LEU A 10 78.143 51.319 4.822 1.00 33.35 C ATOM 102 CD2 LEU A 10 78.383 53.129 6.478 1.00 25.44 C ATOM 103 H LEU A 10 77.081 54.967 2.840 1.00 0.00 H ATOM 104 N VAL A 11 81.018 56.143 3.908 1.00 24.56 N ATOM 105 CA VAL A 11 82.160 56.738 3.229 1.00 27.94 C ATOM 106 C VAL A 11 83.448 56.271 3.887 1.00 24.03 C ATOM 107 O VAL A 11 83.466 55.791 5.023 1.00 21.98 O ATOM 108 CB VAL A 11 82.100 58.279 3.235 1.00 32.48 C ATOM 109 CG1 VAL A 11 80.848 58.745 2.543 1.00 32.86 C ATOM 110 CG2 VAL A 11 82.147 58.812 4.659 1.00 29.54 C ATOM 111 H VAL A 11 81.029 56.075 4.946 1.00 0.00 H ATOM 112 N THR A 12 84.538 56.423 3.153 1.00 28.89 N ATOM 113 CA THR A 12 85.846 56.060 3.660 1.00 26.30 C ATOM 114 C THR A 12 86.444 57.273 4.351 1.00 26.31 C ATOM 115 O THR A 12 86.420 58.384 3.810 1.00 34.88 O ATOM 116 CB THR A 12 86.748 55.562 2.531 1.00 33.76 C ATOM 117 OG1 THR A 12 86.090 54.482 1.854 1.00 26.92 O ATOM 118 CG2 THR A 12 88.080 55.067 3.086 1.00 35.11 C ATOM 119 HG1 THR A 12 86.668 54.153 1.120 1.00 0.00 H ATOM 120 H THR A 12 84.454 56.811 2.192 1.00 0.00 H ATOM 121 N ILE A 13 86.926 57.064 5.568 1.00 21.04 N ATOM 122 CA ILE A 13 87.557 58.111 6.350 1.00 28.91 C ATOM 123 C ILE A 13 89.007 57.720 6.579 1.00 32.40 C ATOM 124 O ILE A 13 89.383 56.549 6.485 1.00 28.11 O ATOM 125 CB ILE A 13 86.837 58.352 7.694 1.00 23.62 C ATOM 126 CG1 ILE A 13 86.887 57.097 8.573 1.00 27.46 C ATOM 127 CG2 ILE A 13 85.389 58.774 7.439 1.00 27.32 C ATOM 128 CD1 ILE A 13 86.456 57.331 10.006 1.00 28.54 C ATOM 129 H ILE A 13 86.849 56.112 5.979 1.00 0.00 H ATOM 130 N LYS A 14 89.824 58.723 6.890 1.00 32.65 N ATOM 131 CA LYS A 14 91.224 58.518 7.245 1.00 37.07 C ATOM 132 C LYS A 14 91.452 59.193 8.587 1.00 38.17 C ATOM 133 O LYS A 14 91.303 60.414 8.706 1.00 33.57 O ATOM 134 CB LYS A 14 92.164 59.078 6.177 1.00 41.23 C ATOM 135 CG LYS A 14 93.637 58.899 6.493 1.00 50.76 C ATOM 136 CD LYS A 14 94.497 59.396 5.346 1.00 80.34 C ATOM 137 CE LYS A 14 95.831 59.938 5.832 1.00 86.03 C ATOM 138 NZ LYS A 14 96.528 60.713 4.766 1.00 83.64 N ATOM 139 HZ1 LYS A 14 96.702 60.095 3.948 1.00 0.00 H ATOM 140 HZ2 LYS A 14 95.932 61.515 4.476 1.00 0.00 H ATOM 141 HZ3 LYS A 14 97.434 61.067 5.133 1.00 0.00 H ATOM 142 H LYS A 14 89.449 59.693 6.880 1.00 0.00 H ATOM 143 N ILE A 15 91.775 58.398 9.602 1.00 32.85 N ATOM 144 CA ILE A 15 92.025 58.901 10.945 1.00 37.64 C ATOM 145 C ILE A 15 93.254 58.183 11.484 1.00 43.71 C ATOM 146 O ILE A 15 93.389 56.964 11.314 1.00 34.18 O ATOM 147 CB ILE A 15 90.809 58.699 11.876 1.00 41.31 C ATOM 148 CG1 ILE A 15 91.090 59.332 13.245 1.00 34.92 C ATOM 149 CG2 ILE A 15 90.447 57.210 12.002 1.00 39.63 C ATOM 150 CD1 ILE A 15 89.919 59.357 14.179 1.00 36.57 C ATOM 151 H ILE A 15 91.852 57.375 9.430 1.00 0.00 H ATOM 152 N GLY A 16 94.156 58.940 12.109 1.00 44.70 N ATOM 153 CA GLY A 16 95.383 58.373 12.647 1.00 43.97 C ATOM 154 C GLY A 16 96.215 57.608 11.639 1.00 47.37 C ATOM 155 O GLY A 16 96.941 56.685 12.020 1.00 47.96 O ATOM 156 H GLY A 16 93.978 59.959 12.214 1.00 0.00 H ATOM 157 N GLY A 17 96.138 57.974 10.361 1.00 42.48 N ATOM 158 CA GLY A 17 96.868 57.271 9.322 1.00 39.15 C ATOM 159 C GLY A 17 96.259 55.957 8.896 1.00 46.24 C ATOM 160 O GLY A 17 96.929 55.160 8.233 1.00 47.79 O ATOM 161 H GLY A 17 95.540 58.784 10.101 1.00 0.00 H ATOM 162 N GLN A 18 94.995 55.717 9.238 1.00 42.58 N ATOM 163 CA GLN A 18 94.312 54.469 8.931 1.00 44.82 C ATOM 164 C GLN A 18 93.002 54.766 8.218 1.00 40.19 C ATOM 165 O GLN A 18 92.278 55.695 8.591 1.00 36.19 O ATOM 166 CB GLN A 18 94.044 53.668 10.214 1.00 53.38 C ATOM 167 CG GLN A 18 93.324 52.341 9.999 1.00 55.19 C ATOM 168 CD GLN A 18 93.232 51.511 11.271 1.00 68.31 C ATOM 169 OE1 GLN A 18 92.984 52.039 12.356 1.00 72.95 O ATOM 170 NE2 GLN A 18 93.438 50.204 11.141 1.00 77.79 N ATOM 171 HE22 GLN A 18 93.645 49.801 10.205 1.00 0.00 H ATOM 172 HE21 GLN A 18 93.393 49.585 11.975 1.00 0.00 H ATOM 173 H GLN A 18 94.471 56.456 9.749 1.00 0.00 H ATOM 174 N LEU A 19 92.696 53.968 7.200 1.00 29.55 N ATOM 175 CA LEU A 19 91.433 54.077 6.485 1.00 33.72 C ATOM 176 C LEU A 19 90.356 53.241 7.171 1.00 37.78 C ATOM 177 O LEU A 19 90.618 52.134 7.650 1.00 36.11 O ATOM 178 CB LEU A 19 91.594 53.630 5.030 1.00 35.94 C ATOM 179 CG LEU A 19 92.583 54.414 4.161 1.00 37.84 C ATOM 180 CD1 LEU A 19 92.496 53.944 2.715 1.00 43.10 C ATOM 181 CD2 LEU A 19 92.340 55.919 4.239 1.00 43.40 C ATOM 182 H LEU A 19 93.381 53.243 6.905 1.00 0.00 H ATOM 183 N LYS A 20 89.141 53.785 7.218 1.00 36.83 N ATOM 184 CA LYS A 20 88.006 53.114 7.836 1.00 30.61 C ATOM 185 C LYS A 20 86.725 53.544 7.140 1.00 23.78 C ATOM 186 O LYS A 20 86.647 54.626 6.551 1.00 28.09 O ATOM 187 CB LYS A 20 87.895 53.433 9.331 1.00 29.95 C ATOM 188 CG LYS A 20 88.953 52.774 10.193 1.00 39.11 C ATOM 189 CD LYS A 20 88.910 53.318 11.608 1.00 38.05 C ATOM 190 CE LYS A 20 89.700 52.449 12.561 1.00 47.80 C ATOM 191 NZ LYS A 20 89.082 51.104 12.717 1.00 53.06 N ATOM 192 HZ1 LYS A 20 88.117 51.208 13.090 1.00 0.00 H ATOM 193 HZ2 LYS A 20 89.048 50.630 11.792 1.00 0.00 H ATOM 194 HZ3 LYS A 20 89.651 50.537 13.377 1.00 0.00 H ATOM 195 H LYS A 20 88.997 54.725 6.797 1.00 0.00 H ATOM 196 N GLU A 21 85.721 52.685 7.217 1.00 25.41 N ATOM 197 CA GLU A 21 84.398 53.004 6.719 1.00 25.94 C ATOM 198 C GLU A 21 83.590 53.614 7.856 1.00 22.14 C ATOM 199 O GLU A 21 83.688 53.169 9.002 1.00 22.73 O ATOM 200 CB GLU A 21 83.715 51.747 6.182 1.00 30.52 C ATOM 201 CG GLU A 21 82.423 52.012 5.461 1.00 32.03 C ATOM 202 CD GLU A 21 82.118 50.952 4.423 1.00 40.90 C ATOM 203 OE1 GLU A 21 82.751 50.965 3.347 1.00 45.12 O ATOM 204 OE2 GLU A 21 81.255 50.096 4.696 1.00 40.09 O ATOM 205 H GLU A 21 85.887 51.753 7.648 1.00 0.00 H ATOM 206 N ALA A 22 82.806 54.641 7.539 1.00 23.16 N ATOM 207 CA ALA A 22 82.012 55.335 8.544 1.00 23.87 C ATOM 208 C ALA A 22 80.697 55.800 7.939 1.00 16.11 C ATOM 209 O ALA A 22 80.601 56.049 6.734 1.00 22.26 O ATOM 210 CB ALA A 22 82.760 56.538 9.131 1.00 19.84 C ATOM 211 H ALA A 22 82.759 54.956 6.549 1.00 0.00 H ATOM 212 N LEU A 23 79.686 55.928 8.799 1.00 18.63 N ATOM 213 CA LEU A 23 78.335 56.320 8.405 1.00 19.18 C ATOM 214 C LEU A 23 78.120 57.809 8.667 1.00 16.79 C ATOM 215 O LEU A 23 78.363 58.287 9.783 1.00 17.33 O ATOM 216 CB LEU A 23 77.302 55.504 9.189 1.00 19.65 C ATOM 217 CG LEU A 23 75.824 55.728 8.873 1.00 19.30 C ATOM 218 CD1 LEU A 23 75.499 55.171 7.524 1.00 22.19 C ATOM 219 CD2 LEU A 23 74.950 55.070 9.948 1.00 23.14 C ATOM 220 H LEU A 23 79.869 55.738 9.805 1.00 0.00 H ATOM 221 N LEU A 24 77.657 58.538 7.649 1.00 17.89 N ATOM 222 CA LEU A 24 77.291 59.943 7.824 1.00 19.32 C ATOM 223 C LEU A 24 75.932 59.985 8.509 1.00 20.02 C ATOM 224 O LEU A 24 74.927 59.538 7.946 1.00 19.73 O ATOM 225 CB LEU A 24 77.253 60.678 6.490 1.00 21.12 C ATOM 226 CG LEU A 24 78.542 60.687 5.668 1.00 27.02 C ATOM 227 CD1 LEU A 24 78.314 61.430 4.356 1.00 26.64 C ATOM 228 CD2 LEU A 24 79.673 61.314 6.444 1.00 23.30 C ATOM 229 H LEU A 24 77.554 58.098 6.712 1.00 0.00 H ATOM 230 N ASP A 25 75.894 60.539 9.717 1.00 16.45 N ATOM 231 CA ASP A 25 74.775 60.355 10.647 1.00 17.75 C ATOM 232 C ASP A 25 74.272 61.719 11.129 1.00 13.40 C ATOM 233 O ASP A 25 74.726 62.227 12.152 1.00 13.83 O ATOM 234 CB ASP A 25 75.245 59.463 11.803 1.00 16.03 C ATOM 235 CG ASP A 25 74.129 59.053 12.735 1.00 17.25 C ATOM 236 OD1 ASP A 25 73.010 59.603 12.619 1.00 16.92 O ATOM 237 OD2 ASP A 25 74.393 58.177 13.589 1.00 13.73 O ATOM 238 H ASP A 25 76.695 61.131 10.016 1.00 0.00 H ATOM 239 N THR A 26 73.303 62.306 10.416 1.00 17.47 N ATOM 240 CA THR A 26 72.801 63.618 10.820 1.00 18.74 C ATOM 241 C THR A 26 72.047 63.581 12.153 1.00 16.24 C ATOM 242 O THR A 26 71.852 64.639 12.764 1.00 14.78 O ATOM 243 CB THR A 26 71.905 64.220 9.726 1.00 19.07 C ATOM 244 OG1 THR A 26 70.794 63.356 9.455 1.00 15.47 O ATOM 245 CG2 THR A 26 72.698 64.454 8.443 1.00 22.66 C ATOM 246 HG1 THR A 26 70.260 63.238 10.280 1.00 0.00 H ATOM 247 H THR A 26 72.909 61.831 9.579 1.00 0.00 H ATOM 248 N GLY A 27 71.652 62.402 12.634 1.00 17.50 N ATOM 249 CA GLY A 27 71.033 62.250 13.935 1.00 15.98 C ATOM 250 C GLY A 27 72.001 62.141 15.091 1.00 19.22 C ATOM 251 O GLY A 27 71.571 62.023 16.245 1.00 18.71 O ATOM 252 H GLY A 27 71.795 61.554 12.049 1.00 0.00 H ATOM 253 N ALA A 28 73.301 62.179 14.820 1.00 11.32 N ATOM 254 CA ALA A 28 74.323 62.138 15.854 1.00 14.87 C ATOM 255 C ALA A 28 74.899 63.532 16.082 1.00 14.44 C ATOM 256 O ALA A 28 75.351 64.185 15.130 1.00 17.88 O ATOM 257 CB ALA A 28 75.436 61.162 15.462 1.00 20.31 C ATOM 258 H ALA A 28 73.601 62.241 13.826 1.00 0.00 H ATOM 259 N ASP A 29 74.881 63.993 17.342 1.00 15.18 N ATOM 260 CA ASP A 29 75.556 65.251 17.661 1.00 20.05 C ATOM 261 C ASP A 29 77.061 65.089 17.522 1.00 19.32 C ATOM 262 O ASP A 29 77.764 66.017 17.096 1.00 18.32 O ATOM 263 CB ASP A 29 75.261 65.717 19.096 1.00 17.44 C ATOM 264 CG ASP A 29 73.787 65.927 19.392 1.00 24.88 C ATOM 265 OD1 ASP A 29 72.961 66.080 18.477 1.00 19.36 O ATOM 266 OD2 ASP A 29 73.454 65.952 20.592 1.00 24.03 O ATOM 267 H ASP A 29 74.390 63.459 18.087 1.00 0.00 H ATOM 268 N ASP A 30 77.570 63.924 17.916 1.00 16.03 N ATOM 269 CA ASP A 30 78.995 63.677 18.057 1.00 15.90 C ATOM 270 C ASP A 30 79.424 62.522 17.168 1.00 21.48 C ATOM 271 O ASP A 30 78.606 61.730 16.692 1.00 17.65 O ATOM 272 CB ASP A 30 79.353 63.352 19.508 1.00 22.17 C ATOM 273 CG ASP A 30 78.865 64.407 20.474 1.00 25.74 C ATOM 274 OD1 ASP A 30 79.241 65.580 20.307 1.00 27.80 O ATOM 275 OD2 ASP A 30 78.091 64.062 21.389 1.00 34.58 O ATOM 276 H ASP A 30 76.912 63.149 18.135 1.00 0.00 H ATOM 277 N THR A 31 80.733 62.439 16.966 1.00 19.27 N ATOM 278 CA THR A 31 81.349 61.416 16.142 1.00 18.81 C ATOM 279 C THR A 31 81.853 60.312 17.059 1.00 22.80 C ATOM 280 O THR A 31 82.555 60.589 18.036 1.00 18.05 O ATOM 281 CB THR A 31 82.484 62.023 15.310 1.00 21.00 C ATOM 282 OG1 THR A 31 81.939 62.953 14.370 1.00 19.11 O ATOM 283 CG2 THR A 31 83.270 60.970 14.555 1.00 22.00 C ATOM 284 HG1 THR A 31 81.464 63.672 14.857 1.00 0.00 H ATOM 285 H THR A 31 81.348 63.143 17.421 1.00 0.00 H ATOM 286 N VAL A 32 81.462 59.071 16.768 1.00 20.06 N ATOM 287 CA VAL A 32 81.796 57.925 17.609 1.00 23.12 C ATOM 288 C VAL A 32 82.317 56.812 16.712 1.00 18.04 C ATOM 289 O VAL A 32 81.624 56.388 15.780 1.00 16.75 O ATOM 290 CB VAL A 32 80.588 57.434 18.426 1.00 22.16 C ATOM 291 CG1 VAL A 32 81.039 56.441 19.489 1.00 18.34 C ATOM 292 CG2 VAL A 32 79.861 58.607 19.052 1.00 26.42 C ATOM 293 H VAL A 32 80.897 58.913 15.909 1.00 0.00 H ATOM 294 N LEU A 33 83.535 56.348 16.987 1.00 15.07 N ATOM 295 CA LEU A 33 84.189 55.312 16.206 1.00 18.50 C ATOM 296 C LEU A 33 84.413 54.080 17.072 1.00 19.87 C ATOM 297 O LEU A 33 84.563 54.179 18.294 1.00 19.71 O ATOM 298 CB LEU A 33 85.534 55.790 15.659 1.00 24.28 C ATOM 299 CG LEU A 33 85.532 57.057 14.811 1.00 21.85 C ATOM 300 CD1 LEU A 33 86.953 57.376 14.405 1.00 40.65 C ATOM 301 CD2 LEU A 33 84.660 56.890 13.584 1.00 23.09 C ATOM 302 H LEU A 33 84.043 56.747 17.802 1.00 0.00 H ATOM 303 N GLU A 34 84.445 52.920 16.426 1.00 22.37 N ATOM 304 CA GLU A 34 84.670 51.677 17.143 1.00 24.86 C ATOM 305 C GLU A 34 86.052 51.686 17.784 1.00 26.50 C ATOM 306 O GLU A 34 86.904 52.532 17.496 1.00 24.95 O ATOM 307 CB GLU A 34 84.536 50.479 16.203 1.00 22.45 C ATOM 308 CG GLU A 34 83.134 50.282 15.621 1.00 25.47 C ATOM 309 CD GLU A 34 83.056 49.092 14.681 1.00 33.26 C ATOM 310 OE1 GLU A 34 83.774 49.098 13.659 1.00 32.30 O ATOM 311 OE2 GLU A 34 82.293 48.147 14.979 1.00 39.20 O ATOM 312 H GLU A 34 84.307 52.901 15.395 1.00 0.00 H ATOM 313 N GLU A 35 86.264 50.710 18.662 1.00 24.82 N ATOM 314 CA GLU A 35 87.510 50.600 19.407 1.00 32.19 C ATOM 315 C GLU A 35 88.713 50.649 18.475 1.00 29.33 C ATOM 316 O GLU A 35 88.771 49.932 17.474 1.00 26.25 O ATOM 317 CB GLU A 35 87.513 49.293 20.202 1.00 46.32 C ATOM 318 CG GLU A 35 88.760 49.083 21.028 1.00 60.15 C ATOM 319 CD GLU A 35 88.974 50.200 22.023 1.00 62.65 C ATOM 320 OE1 GLU A 35 87.969 50.730 22.548 1.00 59.89 O ATOM 321 OE2 GLU A 35 90.142 50.562 22.266 1.00 73.91 O ATOM 322 H GLU A 35 85.517 50.004 18.821 1.00 0.00 H ATOM 323 N MET A 36 89.679 51.495 18.818 1.00 38.49 N ATOM 324 CA MET A 36 90.896 51.634 18.031 1.00 42.77 C ATOM 325 C MET A 36 91.936 52.352 18.877 1.00 47.09 C ATOM 326 O MET A 36 91.612 53.000 19.876 1.00 37.93 O ATOM 327 CB MET A 36 90.641 52.400 16.723 1.00 40.48 C ATOM 328 CG MET A 36 90.288 53.875 16.924 1.00 39.97 C ATOM 329 SD MET A 36 90.070 54.793 15.391 1.00 42.89 S ATOM 330 CE MET A 36 91.638 54.495 14.582 1.00 51.84 C ATOM 331 H MET A 36 89.562 52.075 19.674 1.00 0.00 H ATOM 332 N ASN A 37 93.194 52.230 18.462 1.00 51.21 N ATOM 333 CA ASN A 37 94.304 52.900 19.133 1.00 53.07 C ATOM 334 C ASN A 37 94.534 54.248 18.461 1.00 57.59 C ATOM 335 O ASN A 37 94.908 54.307 17.285 1.00 51.05 O ATOM 336 CB ASN A 37 95.568 52.044 19.084 1.00 63.71 C ATOM 337 CG ASN A 37 95.506 50.857 20.021 1.00 65.03 C ATOM 338 OD1 ASN A 37 95.549 51.012 21.243 1.00 59.26 O ATOM 339 ND2 ASN A 37 95.415 49.661 19.454 1.00 65.56 N ATOM 340 HD22 ASN A 37 95.382 49.578 18.418 1.00 0.00 H ATOM 341 HD21 ASN A 37 95.377 48.807 20.046 1.00 0.00 H ATOM 342 H ASN A 37 93.394 51.637 17.631 1.00 0.00 H ATOM 343 N LEU A 38 94.301 55.332 19.203 1.00 59.18 N ATOM 344 CA LEU A 38 94.574 56.666 18.700 1.00 60.32 C ATOM 345 C LEU A 38 95.677 57.329 19.517 1.00 56.12 C ATOM 346 O LEU A 38 95.722 57.168 20.742 1.00 54.16 O ATOM 347 CB LEU A 38 93.322 57.555 18.746 1.00 58.69 C ATOM 348 CG LEU A 38 92.409 57.599 17.519 1.00 54.65 C ATOM 349 CD1 LEU A 38 91.268 58.596 17.746 1.00 44.36 C ATOM 350 CD2 LEU A 38 93.174 57.957 16.254 1.00 53.32 C ATOM 351 H LEU A 38 93.916 55.219 20.162 1.00 0.00 H ATOM 352 N PRO A 39 96.574 58.076 18.878 1.00 58.05 N ATOM 353 CA PRO A 39 97.618 58.771 19.631 1.00 55.91 C ATOM 354 C PRO A 39 97.096 60.042 20.278 1.00 48.68 C ATOM 355 O PRO A 39 96.128 60.655 19.823 1.00 53.87 O ATOM 356 CB PRO A 39 98.670 59.084 18.561 1.00 57.73 C ATOM 357 CG PRO A 39 97.877 59.237 17.311 1.00 56.68 C ATOM 358 CD PRO A 39 96.717 58.282 17.425 1.00 59.89 C ATOM 359 N GLY A 40 97.764 60.435 21.355 1.00 51.10 N ATOM 360 CA GLY A 40 97.398 61.619 22.100 1.00 48.65 C ATOM 361 C GLY A 40 96.627 61.279 23.362 1.00 46.98 C ATOM 362 O GLY A 40 96.216 60.141 23.601 1.00 49.51 O ATOM 363 H GLY A 40 98.578 59.872 21.674 1.00 0.00 H ATOM 364 N ARG A 41 96.424 62.308 24.178 1.00 46.45 N ATOM 365 CA ARG A 41 95.718 62.148 25.436 1.00 41.02 C ATOM 366 C ARG A 41 94.218 61.999 25.190 1.00 49.75 C ATOM 367 O ARG A 41 93.685 62.400 24.150 1.00 39.83 O ATOM 368 CB ARG A 41 95.985 63.341 26.352 1.00 41.29 C ATOM 369 H ARG A 41 96.779 63.248 23.909 1.00 0.00 H ATOM 370 N TRP A 42 93.541 61.400 26.169 1.00 48.19 N ATOM 371 CA TRP A 42 92.103 61.193 26.093 1.00 45.40 C ATOM 372 C TRP A 42 91.514 61.171 27.493 1.00 48.81 C ATOM 373 O TRP A 42 92.183 60.796 28.460 1.00 52.23 O ATOM 374 CB TRP A 42 91.756 59.885 25.378 1.00 44.67 C ATOM 375 CG TRP A 42 92.327 58.670 26.038 1.00 43.68 C ATOM 376 CD1 TRP A 42 93.505 58.057 25.738 1.00 46.33 C ATOM 377 CD2 TRP A 42 91.744 57.918 27.106 1.00 46.42 C ATOM 378 NE1 TRP A 42 93.693 56.968 26.550 1.00 47.69 N ATOM 379 CE2 TRP A 42 92.626 56.861 27.401 1.00 51.15 C ATOM 380 CE3 TRP A 42 90.560 58.035 27.842 1.00 51.12 C ATOM 381 CZ2 TRP A 42 92.364 55.927 28.400 1.00 52.53 C ATOM 382 CZ3 TRP A 42 90.300 57.102 28.835 1.00 50.99 C ATOM 383 CH2 TRP A 42 91.199 56.064 29.105 1.00 52.59 C ATOM 384 HE1 TRP A 42 94.512 56.328 26.524 1.00 0.00 H ATOM 385 H TRP A 42 94.055 61.071 27.011 1.00 0.00 H ATOM 386 N LYS A 43 90.240 61.551 27.584 1.00 44.62 N ATOM 387 CA LYS A 43 89.523 61.593 28.845 1.00 47.64 C ATOM 388 C LYS A 43 88.275 60.725 28.756 1.00 40.11 C ATOM 389 O LYS A 43 87.636 60.666 27.700 1.00 33.30 O ATOM 390 CB LYS A 43 89.126 63.034 29.200 1.00 43.73 C ATOM 391 H LYS A 43 89.739 61.829 26.716 1.00 0.00 H ATOM 392 N PRO A 44 87.899 60.041 29.836 1.00 43.89 N ATOM 393 CA PRO A 44 86.678 59.230 29.784 1.00 37.70 C ATOM 394 C PRO A 44 85.438 60.107 29.794 1.00 43.51 C ATOM 395 O PRO A 44 85.354 61.088 30.538 1.00 36.35 O ATOM 396 CB PRO A 44 86.764 58.368 31.048 1.00 41.01 C ATOM 397 CG PRO A 44 87.592 59.166 31.988 1.00 48.75 C ATOM 398 CD PRO A 44 88.571 59.941 31.145 1.00 40.08 C ATOM 399 N LYS A 45 84.474 59.741 28.950 1.00 34.22 N ATOM 400 CA LYS A 45 83.204 60.443 28.839 1.00 32.70 C ATOM 401 C LYS A 45 82.096 59.414 28.656 1.00 32.49 C ATOM 402 O LYS A 45 82.348 58.234 28.396 1.00 31.21 O ATOM 403 CB LYS A 45 83.207 61.438 27.673 1.00 29.49 C ATOM 404 H LYS A 45 84.637 58.914 28.341 1.00 0.00 H ATOM 405 N MET A 46 80.859 59.880 28.798 1.00 31.07 N ATOM 406 CA MET A 46 79.668 59.069 28.601 1.00 31.48 C ATOM 407 C MET A 46 78.846 59.684 27.477 1.00 34.23 C ATOM 408 O MET A 46 78.789 60.910 27.343 1.00 31.51 O ATOM 409 CB MET A 46 78.826 59.001 29.878 1.00 35.19 C ATOM 410 CG MET A 46 79.564 58.486 31.108 1.00 42.58 C ATOM 411 SD MET A 46 79.899 56.722 31.083 1.00 46.67 S ATOM 412 CE MET A 46 78.236 56.067 30.993 1.00 35.48 C ATOM 413 H MET A 46 80.736 60.878 29.064 1.00 0.00 H ATOM 414 N ILE A 47 78.232 58.833 26.658 1.00 25.56 N ATOM 415 CA ILE A 47 77.301 59.268 25.619 1.00 25.21 C ATOM 416 C ILE A 47 76.114 58.317 25.593 1.00 25.32 C ATOM 417 O ILE A 47 76.269 57.110 25.816 1.00 26.33 O ATOM 418 CB ILE A 47 77.957 59.318 24.225 1.00 30.70 C ATOM 419 CG1 ILE A 47 78.532 57.942 23.859 1.00 29.03 C ATOM 420 CG2 ILE A 47 79.016 60.395 24.186 1.00 46.37 C ATOM 421 CD1 ILE A 47 79.012 57.834 22.447 1.00 37.42 C ATOM 422 H ILE A 47 78.423 57.816 26.762 1.00 0.00 H ATOM 423 N GLY A 48 74.937 58.856 25.296 1.00 22.26 N ATOM 424 CA GLY A 48 73.701 58.088 25.263 1.00 30.87 C ATOM 425 C GLY A 48 73.163 57.961 23.844 1.00 26.95 C ATOM 426 O GLY A 48 73.156 58.932 23.083 1.00 27.44 O ATOM 427 H GLY A 48 74.897 59.872 25.077 1.00 0.00 H ATOM 428 N GLY A 49 72.717 56.756 23.501 1.00 20.59 N ATOM 429 CA GLY A 49 72.064 56.494 22.245 1.00 21.69 C ATOM 430 C GLY A 49 70.628 56.057 22.443 1.00 28.50 C ATOM 431 O GLY A 49 70.017 56.284 23.496 1.00 20.45 O ATOM 432 H GLY A 49 72.845 55.969 24.169 1.00 0.00 H ATOM 433 N ILE A 50 70.082 55.398 21.418 1.00 20.40 N ATOM 434 CA ILE A 50 68.691 54.969 21.502 1.00 18.83 C ATOM 435 C ILE A 50 68.509 53.937 22.609 1.00 24.44 C ATOM 436 O ILE A 50 67.420 53.818 23.181 1.00 23.62 O ATOM 437 CB ILE A 50 68.205 54.414 20.149 1.00 25.09 C ATOM 438 CG1 ILE A 50 66.677 54.277 20.155 1.00 27.13 C ATOM 439 CG2 ILE A 50 68.842 53.062 19.857 1.00 24.33 C ATOM 440 CD1 ILE A 50 66.029 54.510 18.825 1.00 25.77 C ATOM 441 H ILE A 50 70.644 55.193 20.567 1.00 0.00 H ATOM 442 N GLY A 51 69.552 53.168 22.919 1.00 21.65 N ATOM 443 CA GLY A 51 69.445 52.068 23.857 1.00 26.91 C ATOM 444 C GLY A 51 70.130 52.252 25.189 1.00 25.86 C ATOM 445 O GLY A 51 70.226 51.280 25.956 1.00 30.49 O ATOM 446 H GLY A 51 70.472 53.363 22.474 1.00 0.00 H ATOM 447 N GLY A 52 70.616 53.448 25.508 1.00 23.97 N ATOM 448 CA GLY A 52 71.226 53.725 26.786 1.00 27.10 C ATOM 449 C GLY A 52 72.535 54.453 26.610 1.00 25.92 C ATOM 450 O GLY A 52 72.818 55.018 25.550 1.00 23.28 O ATOM 451 H GLY A 52 70.554 54.215 24.808 1.00 0.00 H ATOM 452 N PHE A 53 73.350 54.428 27.658 1.00 24.23 N ATOM 453 CA PHE A 53 74.602 55.165 27.708 1.00 25.40 C ATOM 454 C PHE A 53 75.780 54.205 27.670 1.00 27.04 C ATOM 455 O PHE A 53 75.707 53.089 28.191 1.00 26.28 O ATOM 456 CB PHE A 53 74.658 56.030 28.968 1.00 21.95 C ATOM 457 CG PHE A 53 73.735 57.207 28.919 1.00 27.06 C ATOM 458 CD1 PHE A 53 72.363 57.031 29.012 1.00 29.84 C ATOM 459 CD2 PHE A 53 74.232 58.483 28.760 1.00 27.38 C ATOM 460 CE1 PHE A 53 71.505 58.109 28.954 1.00 35.45 C ATOM 461 CE2 PHE A 53 73.374 59.573 28.706 1.00 30.55 C ATOM 462 CZ PHE A 53 72.010 59.382 28.801 1.00 31.83 C ATOM 463 H PHE A 53 73.080 53.854 28.482 1.00 0.00 H ATOM 464 N ILE A 54 76.869 54.639 27.030 1.00 25.35 N ATOM 465 CA ILE A 54 78.090 53.848 26.959 1.00 26.88 C ATOM 466 C ILE A 54 79.266 54.701 27.416 1.00 26.09 C ATOM 467 O ILE A 54 79.209 55.933 27.430 1.00 26.19 O ATOM 468 CB ILE A 54 78.375 53.288 25.543 1.00 28.43 C ATOM 469 CG1 ILE A 54 78.549 54.416 24.523 1.00 23.33 C ATOM 470 CG2 ILE A 54 77.262 52.327 25.088 1.00 28.47 C ATOM 471 CD1 ILE A 54 79.104 53.931 23.187 1.00 24.16 C ATOM 472 H ILE A 54 76.844 55.570 26.568 1.00 0.00 H ATOM 473 N LYS A 55 80.353 54.020 27.767 1.00 27.86 N ATOM 474 CA LYS A 55 81.595 54.682 28.133 1.00 33.40 C ATOM 475 C LYS A 55 82.468 54.806 26.894 1.00 29.52 C ATOM 476 O LYS A 55 82.613 53.847 26.130 1.00 30.70 O ATOM 477 CB LYS A 55 82.327 53.906 29.229 1.00 29.33 C ATOM 478 H LYS A 55 80.314 52.981 27.780 1.00 0.00 H ATOM 479 N VAL A 56 83.045 55.991 26.697 1.00 26.56 N ATOM 480 CA VAL A 56 83.880 56.264 25.538 1.00 28.54 C ATOM 481 C VAL A 56 85.123 57.025 25.978 1.00 34.17 C ATOM 482 O VAL A 56 85.166 57.632 27.050 1.00 28.66 O ATOM 483 CB VAL A 56 83.119 57.062 24.456 1.00 31.85 C ATOM 484 CG1 VAL A 56 81.911 56.261 23.954 1.00 29.19 C ATOM 485 CG2 VAL A 56 82.680 58.427 24.995 1.00 29.08 C ATOM 486 H VAL A 56 82.893 56.746 27.396 1.00 0.00 H ATOM 487 N ARG A 57 86.145 56.974 25.133 1.00 30.23 N ATOM 488 CA ARG A 57 87.336 57.795 25.287 1.00 33.05 C ATOM 489 C ARG A 57 87.191 58.999 24.364 1.00 27.93 C ATOM 490 O ARG A 57 86.916 58.836 23.172 1.00 27.71 O ATOM 491 CB ARG A 57 88.594 56.993 24.948 1.00 38.67 C ATOM 492 CG ARG A 57 88.619 55.597 25.583 1.00 47.31 C ATOM 493 CD ARG A 57 90.021 54.984 25.609 1.00 49.35 C ATOM 494 NE ARG A 57 90.636 54.914 24.285 1.00 52.26 N ATOM 495 CZ ARG A 57 90.470 53.914 23.422 1.00 64.16 C ATOM 496 NH1 ARG A 57 91.073 53.951 22.241 1.00 59.28 N ATOM 497 NH2 ARG A 57 89.704 52.877 23.729 1.00 67.86 N ATOM 498 HE ARG A 57 91.248 55.703 23.996 1.00 0.00 H ATOM 499 HH12 ARG A 57 90.944 53.170 21.566 1.00 0.00 H ATOM 500 HH11 ARG A 57 91.675 54.761 21.990 1.00 0.00 H ATOM 501 HH22 ARG A 57 89.581 52.101 23.047 1.00 0.00 H ATOM 502 HH21 ARG A 57 89.226 52.839 24.652 1.00 0.00 H ATOM 503 H ARG A 57 86.092 56.319 24.327 1.00 0.00 H ATOM 504 N GLN A 58 87.349 60.198 24.914 1.00 31.31 N ATOM 505 CA GLN A 58 87.200 61.429 24.148 1.00 25.66 C ATOM 506 C GLN A 58 88.572 61.940 23.724 1.00 27.22 C ATOM 507 O GLN A 58 89.402 62.285 24.573 1.00 28.93 O ATOM 508 CB GLN A 58 86.462 62.488 24.964 1.00 26.84 C ATOM 509 CG GLN A 58 86.349 63.842 24.275 1.00 29.09 C ATOM 510 CD GLN A 58 85.523 64.822 25.083 1.00 30.96 C ATOM 511 OE1 GLN A 58 84.729 64.419 25.928 1.00 42.37 O ATOM 512 NE2 GLN A 58 85.712 66.112 24.836 1.00 31.26 N ATOM 513 HE22 GLN A 58 86.396 66.408 24.110 1.00 0.00 H ATOM 514 HE21 GLN A 58 85.176 66.827 25.368 1.00 0.00 H ATOM 515 H GLN A 58 87.587 60.260 25.925 1.00 0.00 H ATOM 516 N TYR A 59 88.802 61.981 22.415 1.00 25.51 N ATOM 517 CA TYR A 59 89.984 62.594 21.826 1.00 31.10 C ATOM 518 C TYR A 59 89.586 63.920 21.200 1.00 34.14 C ATOM 519 O TYR A 59 88.654 63.975 20.389 1.00 31.47 O ATOM 520 CB TYR A 59 90.612 61.695 20.763 1.00 29.56 C ATOM 521 CG TYR A 59 91.113 60.377 21.290 1.00 36.63 C ATOM 522 CD1 TYR A 59 90.248 59.303 21.465 1.00 40.70 C ATOM 523 CD2 TYR A 59 92.452 60.198 21.608 1.00 43.01 C ATOM 524 CE1 TYR A 59 90.700 58.094 21.946 1.00 41.63 C ATOM 525 CE2 TYR A 59 92.918 58.985 22.092 1.00 42.72 C ATOM 526 CZ TYR A 59 92.037 57.936 22.258 1.00 48.70 C ATOM 527 OH TYR A 59 92.485 56.725 22.733 1.00 41.20 O ATOM 528 HH TYR A 59 91.726 56.092 22.789 1.00 0.00 H ATOM 529 H TYR A 59 88.100 61.552 21.778 1.00 0.00 H ATOM 530 N ASP A 60 90.291 64.978 21.571 1.00 30.52 N ATOM 531 CA ASP A 60 90.004 66.314 21.078 1.00 32.81 C ATOM 532 C ASP A 60 91.001 66.717 20.002 1.00 28.60 C ATOM 533 O ASP A 60 92.149 66.263 19.982 1.00 28.98 O ATOM 534 CB ASP A 60 90.040 67.331 22.217 1.00 33.96 C ATOM 535 CG ASP A 60 88.821 67.251 23.103 1.00 36.66 C ATOM 536 OD1 ASP A 60 87.713 67.029 22.567 1.00 34.65 O ATOM 537 OD2 ASP A 60 88.971 67.404 24.333 1.00 41.15 O ATOM 538 H ASP A 60 91.078 64.848 22.239 1.00 0.00 H ATOM 539 N GLN A 61 90.538 67.580 19.104 1.00 29.08 N ATOM 540 CA GLN A 61 91.371 68.185 18.072 1.00 30.04 C ATOM 541 C GLN A 61 92.108 67.125 17.250 1.00 35.89 C ATOM 542 O GLN A 61 93.310 67.224 16.988 1.00 34.48 O ATOM 543 CB GLN A 61 92.344 69.182 18.702 1.00 37.05 C ATOM 544 CG GLN A 61 92.362 70.537 18.013 1.00 39.60 C ATOM 545 CD GLN A 61 93.122 71.585 18.806 1.00 47.60 C ATOM 546 OE1 GLN A 61 92.802 71.859 19.963 1.00 46.95 O ATOM 547 NE2 GLN A 61 94.137 72.173 18.185 1.00 35.16 N ATOM 548 HE22 GLN A 61 94.371 71.909 17.207 1.00 0.00 H ATOM 549 HE21 GLN A 61 94.698 72.897 18.677 1.00 0.00 H ATOM 550 H GLN A 61 89.531 67.837 19.139 1.00 0.00 H ATOM 551 N ILE A 62 91.359 66.107 16.812 1.00 32.99 N ATOM 552 CA ILE A 62 91.899 65.027 15.990 1.00 30.27 C ATOM 553 C ILE A 62 91.670 65.345 14.525 1.00 25.26 C ATOM 554 O ILE A 62 90.575 65.755 14.126 1.00 28.99 O ATOM 555 CB ILE A 62 91.252 63.679 16.358 1.00 28.64 C ATOM 556 CG1 ILE A 62 91.670 63.239 17.763 1.00 36.14 C ATOM 557 CG2 ILE A 62 91.602 62.601 15.329 1.00 33.96 C ATOM 558 CD1 ILE A 62 93.151 62.928 17.918 1.00 42.15 C ATOM 559 H ILE A 62 90.351 66.083 17.067 1.00 0.00 H ATOM 560 N LEU A 63 92.697 65.124 13.712 1.00 22.89 N ATOM 561 CA LEU A 63 92.570 65.278 12.271 1.00 24.39 C ATOM 562 C LEU A 63 91.862 64.059 11.690 1.00 31.60 C ATOM 563 O LEU A 63 92.211 62.916 12.000 1.00 31.02 O ATOM 564 CB LEU A 63 93.945 65.458 11.626 1.00 27.10 C ATOM 565 H LEU A 63 93.611 64.835 14.114 1.00 0.00 H ATOM 566 N ILE A 64 90.858 64.306 10.857 1.00 28.52 N ATOM 567 CA ILE A 64 90.095 63.235 10.230 1.00 28.56 C ATOM 568 C ILE A 64 89.646 63.713 8.860 1.00 34.02 C ATOM 569 O ILE A 64 89.094 64.809 8.720 1.00 33.36 O ATOM 570 CB ILE A 64 88.900 62.807 11.109 1.00 34.61 C ATOM 571 CG1 ILE A 64 88.086 61.710 10.432 1.00 31.87 C ATOM 572 CG2 ILE A 64 88.004 63.990 11.420 1.00 37.84 C ATOM 573 CD1 ILE A 64 87.154 60.989 11.395 1.00 38.06 C ATOM 574 H ILE A 64 90.609 65.293 10.646 1.00 0.00 H ATOM 575 N GLU A 65 89.894 62.889 7.848 1.00 35.53 N ATOM 576 CA GLU A 65 89.573 63.201 6.464 1.00 34.89 C ATOM 577 C GLU A 65 88.392 62.343 6.031 1.00 38.95 C ATOM 578 O GLU A 65 88.416 61.119 6.198 1.00 33.44 O ATOM 579 CB GLU A 65 90.781 62.950 5.555 1.00 48.04 C ATOM 580 CG GLU A 65 90.650 63.511 4.143 1.00 53.10 C ATOM 581 CD GLU A 65 91.827 63.136 3.258 1.00 52.15 C ATOM 582 OE1 GLU A 65 92.980 63.207 3.735 1.00 49.08 O ATOM 583 OE2 GLU A 65 91.599 62.760 2.089 1.00 52.54 O ATOM 584 H GLU A 65 90.341 61.973 8.056 1.00 0.00 H ATOM 585 N ILE A 66 87.364 62.989 5.488 1.00 37.67 N ATOM 586 CA ILE A 66 86.116 62.344 5.096 1.00 36.96 C ATOM 587 C ILE A 66 85.919 62.648 3.620 1.00 36.51 C ATOM 588 O ILE A 66 85.638 63.796 3.256 1.00 32.85 O ATOM 589 CB ILE A 66 84.921 62.851 5.920 1.00 40.43 C ATOM 590 CG1 ILE A 66 85.160 62.644 7.421 1.00 34.77 C ATOM 591 CG2 ILE A 66 83.628 62.164 5.480 1.00 33.86 C ATOM 592 CD1 ILE A 66 84.338 63.549 8.295 1.00 29.28 C ATOM 593 H ILE A 66 87.455 64.013 5.334 1.00 0.00 H ATOM 594 N CYS A 67 86.071 61.633 2.771 1.00 39.15 N ATOM 595 CA CYS A 67 85.931 61.797 1.320 1.00 50.36 C ATOM 596 C CYS A 67 86.753 62.981 0.812 1.00 44.88 C ATOM 597 O CYS A 67 86.270 63.838 0.068 1.00 49.68 O ATOM 598 CB CYS A 67 84.461 61.953 0.923 1.00 46.24 C ATOM 599 SG CYS A 67 83.571 60.397 0.722 1.00 64.28 S ATOM 600 H CYS A 67 86.297 60.691 3.150 1.00 0.00 H ATOM 601 N GLY A 68 88.019 63.025 1.218 1.00 44.87 N ATOM 602 CA GLY A 68 88.905 64.084 0.773 1.00 52.87 C ATOM 603 C GLY A 68 88.662 65.443 1.391 1.00 48.62 C ATOM 604 O GLY A 68 89.210 66.434 0.900 1.00 62.59 O ATOM 605 H GLY A 68 88.378 62.292 1.862 1.00 0.00 H ATOM 606 N HIS A 69 87.860 65.525 2.449 1.00 48.02 N ATOM 607 CA HIS A 69 87.577 66.777 3.142 1.00 37.56 C ATOM 608 C HIS A 69 88.174 66.705 4.537 1.00 36.24 C ATOM 609 O HIS A 69 87.913 65.752 5.279 1.00 40.18 O ATOM 610 CB HIS A 69 86.072 67.039 3.237 1.00 35.29 C ATOM 611 CG HIS A 69 85.447 67.487 1.953 1.00 44.90 C ATOM 612 ND1 HIS A 69 85.317 66.662 0.856 1.00 50.54 N ATOM 613 CD2 HIS A 69 84.904 68.675 1.596 1.00 39.36 C ATOM 614 CE1 HIS A 69 84.728 67.326 -0.124 1.00 47.99 C ATOM 615 NE2 HIS A 69 84.468 68.549 0.299 1.00 40.34 N ATOM 616 H HIS A 69 87.413 64.654 2.799 1.00 0.00 H ATOM 617 N LYS A 70 88.963 67.710 4.896 1.00 36.81 N ATOM 618 CA LYS A 70 89.674 67.697 6.164 1.00 40.44 C ATOM 619 C LYS A 70 88.826 68.321 7.265 1.00 36.12 C ATOM 620 O LYS A 70 88.142 69.329 7.057 1.00 34.06 O ATOM 621 CB LYS A 70 91.014 68.432 6.042 1.00 33.90 C ATOM 622 CG LYS A 70 92.116 67.608 5.360 1.00 42.75 C ATOM 623 CD LYS A 70 93.487 68.276 5.456 1.00 55.77 C ATOM 624 CE LYS A 70 94.613 67.300 5.119 1.00 70.68 C ATOM 625 NZ LYS A 70 95.893 67.986 4.770 1.00102.85 N ATOM 626 HZ1 LYS A 70 95.743 68.596 3.941 1.00 0.00 H ATOM 627 HZ2 LYS A 70 96.206 68.565 5.576 1.00 0.00 H ATOM 628 HZ3 LYS A 70 96.618 67.273 4.551 1.00 0.00 H ATOM 629 H LYS A 70 89.075 68.523 4.257 1.00 0.00 H ATOM 630 N ALA A 71 88.867 67.694 8.437 1.00 31.70 N ATOM 631 CA ALA A 71 88.199 68.185 9.630 1.00 26.76 C ATOM 632 C ALA A 71 89.115 67.947 10.817 1.00 27.80 C ATOM 633 O ALA A 71 89.941 67.030 10.805 1.00 29.19 O ATOM 634 CB ALA A 71 86.853 67.486 9.855 1.00 28.68 C ATOM 635 H ALA A 71 89.405 66.806 8.503 1.00 0.00 H ATOM 636 N ILE A 72 88.970 68.786 11.842 1.00 20.41 N ATOM 637 CA ILE A 72 89.750 68.653 13.066 1.00 22.12 C ATOM 638 C ILE A 72 88.807 68.926 14.228 1.00 27.90 C ATOM 639 O ILE A 72 88.364 70.064 14.419 1.00 28.94 O ATOM 640 CB ILE A 72 90.956 69.601 13.116 1.00 24.25 C ATOM 641 CG1 ILE A 72 91.778 69.481 11.835 1.00 27.03 C ATOM 642 CG2 ILE A 72 91.809 69.278 14.338 1.00 24.57 C ATOM 643 CD1 ILE A 72 92.939 70.468 11.738 1.00 38.21 C ATOM 644 H ILE A 72 88.279 69.560 11.766 1.00 0.00 H ATOM 645 N GLY A 73 88.505 67.895 15.001 1.00 23.32 N ATOM 646 CA GLY A 73 87.491 68.033 16.020 1.00 23.97 C ATOM 647 C GLY A 73 87.507 66.860 16.964 1.00 29.36 C ATOM 648 O GLY A 73 88.443 66.057 16.977 1.00 29.04 O ATOM 649 H GLY A 73 88.997 66.987 14.875 1.00 0.00 H ATOM 650 N THR A 74 86.443 66.769 17.754 1.00 25.19 N ATOM 651 CA THR A 74 86.368 65.757 18.791 1.00 25.27 C ATOM 652 C THR A 74 85.939 64.423 18.195 1.00 26.81 C ATOM 653 O THR A 74 85.029 64.355 17.361 1.00 22.12 O ATOM 654 CB THR A 74 85.408 66.203 19.899 1.00 25.97 C ATOM 655 OG1 THR A 74 85.891 67.424 20.468 1.00 29.85 O ATOM 656 CG2 THR A 74 85.323 65.164 21.010 1.00 25.00 C ATOM 657 HG1 THR A 74 86.794 67.276 20.846 1.00 0.00 H ATOM 658 H THR A 74 85.652 67.433 17.627 1.00 0.00 H ATOM 659 N VAL A 75 86.623 63.363 18.616 1.00 27.68 N ATOM 660 CA VAL A 75 86.348 62.002 18.174 1.00 28.63 C ATOM 661 C VAL A 75 86.204 61.136 19.416 1.00 29.60 C ATOM 662 O VAL A 75 87.114 61.083 20.256 1.00 24.30 O ATOM 663 CB VAL A 75 87.452 61.460 17.251 1.00 28.45 C ATOM 664 CG1 VAL A 75 87.234 59.977 16.943 1.00 29.02 C ATOM 665 CG2 VAL A 75 87.498 62.280 15.958 1.00 29.06 C ATOM 666 H VAL A 75 87.395 63.513 19.297 1.00 0.00 H ATOM 667 N LEU A 76 85.053 60.493 19.550 1.00 18.52 N ATOM 668 CA LEU A 76 84.776 59.576 20.642 1.00 21.39 C ATOM 669 C LEU A 76 85.032 58.156 20.157 1.00 23.10 C ATOM 670 O LEU A 76 84.712 57.817 19.011 1.00 22.69 O ATOM 671 CB LEU A 76 83.332 59.731 21.120 1.00 23.53 C ATOM 672 CG LEU A 76 82.916 61.188 21.377 1.00 20.30 C ATOM 673 CD1 LEU A 76 81.472 61.262 21.788 1.00 24.75 C ATOM 674 CD2 LEU A 76 83.778 61.841 22.439 1.00 25.26 C ATOM 675 H LEU A 76 84.312 60.653 18.838 1.00 0.00 H ATOM 676 N VAL A 77 85.635 57.339 21.017 1.00 20.38 N ATOM 677 CA VAL A 77 86.022 55.972 20.673 1.00 23.32 C ATOM 678 C VAL A 77 85.427 55.049 21.724 1.00 21.35 C ATOM 679 O VAL A 77 85.694 55.217 22.920 1.00 24.06 O ATOM 680 CB VAL A 77 87.549 55.799 20.603 1.00 26.13 C ATOM 681 CG1 VAL A 77 87.928 54.320 20.369 1.00 27.00 C ATOM 682 CG2 VAL A 77 88.123 56.679 19.507 1.00 29.02 C ATOM 683 H VAL A 77 85.840 57.688 21.975 1.00 0.00 H ATOM 684 N GLY A 78 84.609 54.095 21.288 1.00 28.54 N ATOM 685 CA GLY A 78 83.947 53.202 22.208 1.00 23.61 C ATOM 686 C GLY A 78 83.059 52.186 21.525 1.00 18.11 C ATOM 687 O GLY A 78 83.069 52.043 20.301 1.00 22.25 O ATOM 688 H GLY A 78 84.444 53.991 20.267 1.00 0.00 H ATOM 689 N PRO A 79 82.265 51.449 22.315 1.00 24.14 N ATOM 690 CA PRO A 79 81.482 50.323 21.761 1.00 22.45 C ATOM 691 C PRO A 79 80.233 50.765 21.005 1.00 21.33 C ATOM 692 O PRO A 79 79.104 50.357 21.313 1.00 21.38 O ATOM 693 CB PRO A 79 81.154 49.501 23.017 1.00 25.94 C ATOM 694 CG PRO A 79 81.159 50.496 24.147 1.00 26.35 C ATOM 695 CD PRO A 79 82.239 51.477 23.790 1.00 23.68 C ATOM 696 N THR A 80 80.434 51.582 19.969 1.00 24.21 N ATOM 697 CA THR A 80 79.322 51.914 19.091 1.00 18.89 C ATOM 698 C THR A 80 79.085 50.781 18.091 1.00 18.54 C ATOM 699 O THR A 80 80.042 50.164 17.608 1.00 22.35 O ATOM 700 CB THR A 80 79.581 53.221 18.336 1.00 17.26 C ATOM 701 OG1 THR A 80 78.540 53.418 17.371 1.00 19.64 O ATOM 702 CG2 THR A 80 80.949 53.213 17.626 1.00 20.56 C ATOM 703 HG1 THR A 80 78.534 52.660 16.734 1.00 0.00 H ATOM 704 H THR A 80 81.379 51.979 19.790 1.00 0.00 H ATOM 705 N PRO A 81 77.825 50.489 17.758 1.00 22.06 N ATOM 706 CA PRO A 81 77.567 49.433 16.763 1.00 18.65 C ATOM 707 C PRO A 81 78.244 49.685 15.427 1.00 20.87 C ATOM 708 O PRO A 81 78.554 48.724 14.715 1.00 22.64 O ATOM 709 CB PRO A 81 76.034 49.433 16.636 1.00 25.45 C ATOM 710 CG PRO A 81 75.594 50.764 17.154 1.00 22.44 C ATOM 711 CD PRO A 81 76.588 51.151 18.205 1.00 20.13 C ATOM 712 N VAL A 82 78.492 50.945 15.060 1.00 22.89 N ATOM 713 CA VAL A 82 79.114 51.267 13.781 1.00 19.80 C ATOM 714 C VAL A 82 79.785 52.632 13.892 1.00 23.26 C ATOM 715 O VAL A 82 79.369 53.486 14.682 1.00 19.19 O ATOM 716 CB VAL A 82 78.078 51.235 12.629 1.00 27.10 C ATOM 717 CG1 VAL A 82 77.152 52.446 12.688 1.00 31.42 C ATOM 718 CG2 VAL A 82 78.766 51.154 11.274 1.00 38.39 C ATOM 719 H VAL A 82 78.234 51.719 15.705 1.00 0.00 H ATOM 720 N ASN A 83 80.844 52.827 13.099 1.00 17.65 N ATOM 721 CA ASN A 83 81.504 54.124 13.025 1.00 21.24 C ATOM 722 C ASN A 83 80.532 55.160 12.485 1.00 21.25 C ATOM 723 O ASN A 83 79.986 54.989 11.389 1.00 17.97 O ATOM 724 CB ASN A 83 82.733 54.059 12.112 1.00 22.75 C ATOM 725 CG ASN A 83 83.801 53.107 12.611 1.00 25.84 C ATOM 726 OD1 ASN A 83 84.011 52.959 13.819 1.00 22.49 O ATOM 727 ND2 ASN A 83 84.491 52.451 11.670 1.00 24.09 N ATOM 728 HD22 ASN A 83 84.278 52.609 10.664 1.00 0.00 H ATOM 729 HD21 ASN A 83 85.240 51.784 11.945 1.00 0.00 H ATOM 730 H ASN A 83 81.203 52.038 12.524 1.00 0.00 H ATOM 731 N ILE A 84 80.336 56.249 13.224 1.00 20.43 N ATOM 732 CA ILE A 84 79.426 57.309 12.801 1.00 17.36 C ATOM 733 C ILE A 84 80.152 58.640 12.792 1.00 21.64 C ATOM 734 O ILE A 84 80.958 58.934 13.683 1.00 18.58 O ATOM 735 CB ILE A 84 78.172 57.401 13.690 1.00 16.00 C ATOM 736 CG1 ILE A 84 78.580 57.526 15.162 1.00 22.18 C ATOM 737 CG2 ILE A 84 77.265 56.206 13.413 1.00 19.07 C ATOM 738 CD1 ILE A 84 77.430 57.754 16.097 1.00 18.45 C ATOM 739 H ILE A 84 80.844 56.347 14.126 1.00 0.00 H ATOM 740 N ILE A 85 79.860 59.437 11.768 1.00 20.21 N ATOM 741 CA ILE A 85 80.302 60.818 11.668 1.00 21.39 C ATOM 742 C ILE A 85 79.113 61.691 12.034 1.00 23.35 C ATOM 743 O ILE A 85 78.085 61.676 11.339 1.00 18.57 O ATOM 744 CB ILE A 85 80.807 61.153 10.254 1.00 21.24 C ATOM 745 CG1 ILE A 85 81.887 60.165 9.796 1.00 20.32 C ATOM 746 CG2 ILE A 85 81.310 62.589 10.203 1.00 20.96 C ATOM 747 CD1 ILE A 85 83.081 60.089 10.684 1.00 21.58 C ATOM 748 H ILE A 85 79.282 59.050 10.995 1.00 0.00 H ATOM 749 N GLY A 86 79.260 62.454 13.120 1.00 18.69 N ATOM 750 CA GLY A 86 78.206 63.303 13.630 1.00 20.95 C ATOM 751 C GLY A 86 78.356 64.758 13.197 1.00 14.51 C ATOM 752 O GLY A 86 79.275 65.142 12.482 1.00 15.68 O ATOM 753 H GLY A 86 80.171 62.437 13.621 1.00 0.00 H ATOM 754 N ARG A 87 77.409 65.577 13.665 1.00 17.18 N ATOM 755 CA ARG A 87 77.300 66.950 13.183 1.00 20.82 C ATOM 756 C ARG A 87 78.543 67.769 13.501 1.00 20.36 C ATOM 757 O ARG A 87 78.863 68.712 12.762 1.00 20.82 O ATOM 758 CB ARG A 87 76.047 67.612 13.763 1.00 15.82 C ATOM 759 CG ARG A 87 74.750 67.020 13.188 1.00 18.20 C ATOM 760 CD ARG A 87 73.514 67.790 13.628 1.00 15.75 C ATOM 761 NE ARG A 87 73.391 67.753 15.079 1.00 14.58 N ATOM 762 CZ ARG A 87 73.751 68.727 15.916 1.00 21.18 C ATOM 763 NH1 ARG A 87 74.241 69.877 15.473 1.00 16.86 N ATOM 764 NH2 ARG A 87 73.616 68.536 17.218 1.00 16.96 N ATOM 765 HE ARG A 87 72.987 66.892 15.499 1.00 0.00 H ATOM 766 HH12 ARG A 87 74.514 70.620 16.147 1.00 0.00 H ATOM 767 HH11 ARG A 87 74.352 70.036 14.451 1.00 0.00 H ATOM 768 HH22 ARG A 87 73.892 69.285 17.885 1.00 0.00 H ATOM 769 HH21 ARG A 87 73.234 67.637 17.575 1.00 0.00 H ATOM 770 H ARG A 87 76.741 65.231 14.383 1.00 0.00 H ATOM 771 N ASN A 88 79.266 67.431 14.573 1.00 17.66 N ATOM 772 CA ASN A 88 80.437 68.226 14.919 1.00 20.06 C ATOM 773 C ASN A 88 81.453 68.213 13.785 1.00 19.11 C ATOM 774 O ASN A 88 82.165 69.204 13.575 1.00 22.93 O ATOM 775 CB ASN A 88 81.052 67.727 16.235 1.00 22.27 C ATOM 776 CG ASN A 88 81.750 66.376 16.100 1.00 23.06 C ATOM 777 OD1 ASN A 88 81.181 65.398 15.597 1.00 17.09 O ATOM 778 ND2 ASN A 88 82.994 66.322 16.559 1.00 22.05 N ATOM 779 HD22 ASN A 88 83.432 67.169 16.974 1.00 0.00 H ATOM 780 HD21 ASN A 88 83.530 65.433 16.504 1.00 0.00 H ATOM 781 H ASN A 88 78.996 66.611 15.153 1.00 0.00 H ATOM 782 N LEU A 89 81.507 67.124 13.020 1.00 20.82 N ATOM 783 CA LEU A 89 82.391 67.040 11.865 1.00 21.93 C ATOM 784 C LEU A 89 81.671 67.298 10.555 1.00 17.75 C ATOM 785 O LEU A 89 82.261 67.892 9.640 1.00 18.27 O ATOM 786 CB LEU A 89 83.073 65.667 11.813 1.00 19.76 C ATOM 787 CG LEU A 89 83.917 65.326 13.048 1.00 21.88 C ATOM 788 CD1 LEU A 89 84.667 64.025 12.854 1.00 25.80 C ATOM 789 CD2 LEU A 89 84.893 66.454 13.392 1.00 27.83 C ATOM 790 H LEU A 89 80.902 66.311 13.254 1.00 0.00 H ATOM 791 N LEU A 90 80.407 66.880 10.443 1.00 20.41 N ATOM 792 CA LEU A 90 79.648 67.179 9.237 1.00 20.59 C ATOM 793 C LEU A 90 79.611 68.682 8.966 1.00 21.81 C ATOM 794 O LEU A 90 79.699 69.112 7.811 1.00 18.98 O ATOM 795 CB LEU A 90 78.232 66.622 9.356 1.00 19.27 C ATOM 796 CG LEU A 90 78.094 65.109 9.511 1.00 19.87 C ATOM 797 CD1 LEU A 90 76.644 64.749 9.765 1.00 19.59 C ATOM 798 CD2 LEU A 90 78.612 64.378 8.282 1.00 21.60 C ATOM 799 H LEU A 90 79.966 66.342 11.216 1.00 0.00 H ATOM 800 N THR A 91 79.469 69.498 10.012 1.00 19.56 N ATOM 801 CA THR A 91 79.496 70.943 9.806 1.00 18.95 C ATOM 802 C THR A 91 80.836 71.380 9.228 1.00 23.09 C ATOM 803 O THR A 91 80.889 72.260 8.363 1.00 21.55 O ATOM 804 CB THR A 91 79.203 71.689 11.112 1.00 23.51 C ATOM 805 OG1 THR A 91 80.076 71.233 12.155 1.00 22.45 O ATOM 806 CG2 THR A 91 77.741 71.502 11.530 1.00 21.27 C ATOM 807 HG1 THR A 91 79.874 71.724 12.991 1.00 0.00 H ATOM 808 H THR A 91 79.340 69.107 10.967 1.00 0.00 H ATOM 809 N GLN A 92 81.931 70.752 9.666 1.00 25.30 N ATOM 810 CA GLN A 92 83.244 71.187 9.202 1.00 21.10 C ATOM 811 C GLN A 92 83.448 70.907 7.719 1.00 28.34 C ATOM 812 O GLN A 92 84.156 71.664 7.048 1.00 27.90 O ATOM 813 CB GLN A 92 84.353 70.521 10.014 1.00 19.89 C ATOM 814 CG GLN A 92 84.446 70.991 11.452 1.00 19.84 C ATOM 815 CD GLN A 92 85.772 70.640 12.093 1.00 23.46 C ATOM 816 OE1 GLN A 92 86.769 70.399 11.407 1.00 24.25 O ATOM 817 NE2 GLN A 92 85.793 70.615 13.418 1.00 21.79 N ATOM 818 HE22 GLN A 92 84.928 70.825 13.956 1.00 0.00 H ATOM 819 HE21 GLN A 92 86.674 70.385 13.920 1.00 0.00 H ATOM 820 H GLN A 92 81.848 69.959 10.333 1.00 0.00 H ATOM 821 N ILE A 93 82.845 69.848 7.176 1.00 25.22 N ATOM 822 CA ILE A 93 83.074 69.542 5.765 1.00 24.85 C ATOM 823 C ILE A 93 82.022 70.226 4.897 1.00 26.11 C ATOM 824 O ILE A 93 82.001 70.047 3.674 1.00 22.84 O ATOM 825 CB ILE A 93 83.109 68.024 5.511 1.00 29.85 C ATOM 826 CG1 ILE A 93 81.776 67.374 5.879 1.00 27.68 C ATOM 827 CG2 ILE A 93 84.261 67.403 6.294 1.00 25.40 C ATOM 828 CD1 ILE A 93 81.693 65.914 5.490 1.00 27.80 C ATOM 829 H ILE A 93 82.219 69.247 7.750 1.00 0.00 H ATOM 830 N GLY A 94 81.161 71.029 5.518 1.00 24.82 N ATOM 831 CA GLY A 94 80.163 71.788 4.785 1.00 26.09 C ATOM 832 C GLY A 94 78.919 71.007 4.433 1.00 33.50 C ATOM 833 O GLY A 94 78.249 71.321 3.441 1.00 22.01 O ATOM 834 H GLY A 94 81.204 71.115 6.554 1.00 0.00 H ATOM 835 N CYS A 95 78.564 70.016 5.241 1.00 23.89 N ATOM 836 CA CYS A 95 77.484 69.105 4.902 1.00 22.69 C ATOM 837 C CYS A 95 76.133 69.718 5.265 1.00 28.04 C ATOM 838 O CYS A 95 75.967 70.307 6.339 1.00 25.01 O ATOM 839 CB CYS A 95 77.697 67.766 5.618 1.00 26.93 C ATOM 840 SG CYS A 95 76.712 66.423 4.974 1.00 32.76 S ATOM 841 H CYS A 95 79.072 69.888 6.140 1.00 0.00 H ATOM 842 N THR A 96 75.183 69.621 4.334 1.00 22.58 N ATOM 843 CA THR A 96 73.813 70.059 4.562 1.00 23.22 C ATOM 844 C THR A 96 72.851 68.983 4.073 1.00 24.09 C ATOM 845 O THR A 96 73.198 68.139 3.245 1.00 22.10 O ATOM 846 CB THR A 96 73.503 71.384 3.844 1.00 32.09 C ATOM 847 OG1 THR A 96 73.592 71.194 2.424 1.00 29.37 O ATOM 848 CG2 THR A 96 74.485 72.478 4.276 1.00 31.19 C ATOM 849 HG1 THR A 96 74.507 70.898 2.189 1.00 0.00 H ATOM 850 H THR A 96 75.430 69.216 3.408 1.00 0.00 H ATOM 851 N LEU A 97 71.636 69.021 4.610 1.00 25.58 N ATOM 852 CA LEU A 97 70.516 68.251 4.087 1.00 26.72 C ATOM 853 C LEU A 97 69.716 69.124 3.137 1.00 24.95 C ATOM 854 O LEU A 97 69.572 70.330 3.355 1.00 26.49 O ATOM 855 CB LEU A 97 69.601 67.752 5.206 1.00 22.95 C ATOM 856 CG LEU A 97 70.135 66.598 6.059 1.00 18.28 C ATOM 857 CD1 LEU A 97 69.333 66.452 7.344 1.00 20.72 C ATOM 858 CD2 LEU A 97 70.121 65.301 5.279 1.00 28.02 C ATOM 859 H LEU A 97 71.478 69.627 5.440 1.00 0.00 H ATOM 860 N ASN A 98 69.196 68.508 2.082 1.00 24.18 N ATOM 861 CA ASN A 98 68.466 69.227 1.051 1.00 34.21 C ATOM 862 C ASN A 98 67.326 68.362 0.539 1.00 31.55 C ATOM 863 O ASN A 98 67.529 67.180 0.249 1.00 32.60 O ATOM 864 CB ASN A 98 69.395 69.603 -0.107 1.00 36.05 C ATOM 865 CG ASN A 98 70.512 70.547 0.317 1.00 42.05 C ATOM 866 OD1 ASN A 98 70.388 71.766 0.187 1.00 34.61 O ATOM 867 ND2 ASN A 98 71.610 69.986 0.823 1.00 35.99 N ATOM 868 HD22 ASN A 98 71.671 68.952 0.914 1.00 0.00 H ATOM 869 HD21 ASN A 98 72.406 70.582 1.127 1.00 0.00 H ATOM 870 H ASN A 98 69.315 67.479 1.990 1.00 0.00 H ATOM 871 N PHE A 99 66.139 68.949 0.429 1.00 37.55 N ATOM 872 CA PHE A 99 65.007 68.280 -0.206 1.00 52.93 C ATOM 873 C PHE A 99 64.019 69.303 -0.764 1.00 56.06 C ATOM 874 O PHE A 99 62.996 68.948 -1.349 1.00 47.64 O ATOM 875 CB PHE A 99 64.305 67.340 0.780 1.00 48.00 C ATOM 876 CG PHE A 99 63.816 68.011 2.026 1.00 51.30 C ATOM 877 CD1 PHE A 99 64.661 68.178 3.109 1.00 54.54 C ATOM 878 CD2 PHE A 99 62.506 68.443 2.131 1.00 61.96 C ATOM 879 CE1 PHE A 99 64.215 68.786 4.266 1.00 58.53 C ATOM 880 CE2 PHE A 99 62.055 69.052 3.284 1.00 70.33 C ATOM 881 CZ PHE A 99 62.910 69.222 4.355 1.00 61.35 C ATOM 882 OXT PHE A 99 64.225 70.510 -0.648 1.00 63.13 O ATOM 883 H PHE A 99 66.013 69.910 0.805 1.00 0.00 H TER 884 PHE A 99 ATOM 885 N PRO B 1 64.003 72.740 0.719 1.00 66.57 N ATOM 886 CA PRO B 1 64.852 73.679 1.458 1.00 55.73 C ATOM 887 C PRO B 1 66.253 73.123 1.717 1.00 48.17 C ATOM 888 O PRO B 1 66.561 72.013 1.281 1.00 40.96 O ATOM 889 CB PRO B 1 64.082 73.878 2.766 1.00 57.93 C ATOM 890 CG PRO B 1 63.360 72.591 2.971 1.00 55.41 C ATOM 891 CD PRO B 1 63.025 72.071 1.597 1.00 60.14 C ATOM 892 HN2 PRO B 1 64.607 72.018 0.277 1.00 0.00 H ATOM 893 HN1 PRO B 1 63.490 73.261 -0.020 1.00 0.00 H ATOM 894 N GLN B 2 67.097 73.893 2.400 1.00 42.33 N ATOM 895 CA GLN B 2 68.425 73.443 2.794 1.00 37.75 C ATOM 896 C GLN B 2 68.563 73.558 4.302 1.00 40.10 C ATOM 897 O GLN B 2 68.360 74.637 4.869 1.00 31.67 O ATOM 898 CB GLN B 2 69.524 74.257 2.116 1.00 39.84 C ATOM 899 CG GLN B 2 70.920 73.847 2.544 1.00 41.40 C ATOM 900 CD GLN B 2 72.000 74.614 1.815 1.00 48.24 C ATOM 901 OE1 GLN B 2 72.629 75.512 2.379 1.00 54.51 O ATOM 902 NE2 GLN B 2 72.223 74.263 0.555 1.00 42.77 N ATOM 903 HE22 GLN B 2 71.666 73.499 0.122 1.00 0.00 H ATOM 904 HE21 GLN B 2 72.954 74.752 0.001 1.00 0.00 H ATOM 905 H GLN B 2 66.796 74.853 2.663 1.00 0.00 H ATOM 906 N ILE B 3 68.932 72.457 4.946 1.00 33.05 N ATOM 907 CA ILE B 3 69.055 72.404 6.395 1.00 29.45 C ATOM 908 C ILE B 3 70.528 72.226 6.728 1.00 34.56 C ATOM 909 O ILE B 3 71.144 71.225 6.340 1.00 26.09 O ATOM 910 CB ILE B 3 68.191 71.284 6.987 1.00 28.19 C ATOM 911 CG1 ILE B 3 66.739 71.483 6.537 1.00 30.48 C ATOM 912 CG2 ILE B 3 68.283 71.280 8.514 1.00 25.53 C ATOM 913 CD1 ILE B 3 65.824 70.386 6.940 1.00 27.36 C ATOM 914 H ILE B 3 69.141 71.601 4.394 1.00 0.00 H ATOM 915 N THR B 4 71.101 73.219 7.406 1.00 29.80 N ATOM 916 CA THR B 4 72.455 73.085 7.913 1.00 24.69 C ATOM 917 C THR B 4 72.431 72.272 9.201 1.00 19.77 C ATOM 918 O THR B 4 71.374 72.000 9.781 1.00 23.55 O ATOM 919 CB THR B 4 73.103 74.452 8.155 1.00 31.91 C ATOM 920 OG1 THR B 4 72.411 75.135 9.208 1.00 32.36 O ATOM 921 CG2 THR B 4 73.085 75.302 6.880 1.00 32.32 C ATOM 922 HG1 THR B 4 72.460 74.596 10.037 1.00 0.00 H ATOM 923 H THR B 4 70.573 74.099 7.574 1.00 0.00 H ATOM 924 N LEU B 5 73.616 71.860 9.638 1.00 19.21 N ATOM 925 CA LEU B 5 73.744 70.942 10.758 1.00 21.14 C ATOM 926 C LEU B 5 74.392 71.585 11.974 1.00 22.05 C ATOM 927 O LEU B 5 74.916 70.870 12.831 1.00 13.28 O ATOM 928 CB LEU B 5 74.530 69.708 10.321 1.00 21.03 C ATOM 929 CG LEU B 5 73.923 68.999 9.104 1.00 22.28 C ATOM 930 CD1 LEU B 5 74.817 67.879 8.620 1.00 21.60 C ATOM 931 CD2 LEU B 5 72.548 68.454 9.450 1.00 23.08 C ATOM 932 H LEU B 5 74.476 72.204 9.166 1.00 0.00 H ATOM 933 N TRP B 6 74.345 72.920 12.083 1.00 20.47 N ATOM 934 CA TRP B 6 74.831 73.565 13.299 1.00 21.00 C ATOM 935 C TRP B 6 74.036 73.100 14.506 1.00 25.12 C ATOM 936 O TRP B 6 74.574 72.981 15.614 1.00 22.96 O ATOM 937 CB TRP B 6 74.734 75.079 13.180 1.00 24.46 C ATOM 938 CG TRP B 6 75.623 75.702 12.160 1.00 26.26 C ATOM 939 CD1 TRP B 6 75.235 76.342 11.021 1.00 22.43 C ATOM 940 CD2 TRP B 6 77.054 75.770 12.192 1.00 21.57 C ATOM 941 NE1 TRP B 6 76.334 76.803 10.339 1.00 23.26 N ATOM 942 CE2 TRP B 6 77.463 76.467 11.038 1.00 20.84 C ATOM 943 CE3 TRP B 6 78.027 75.310 13.081 1.00 22.33 C ATOM 944 CZ2 TRP B 6 78.802 76.712 10.749 1.00 25.46 C ATOM 945 CZ3 TRP B 6 79.364 75.558 12.791 1.00 20.61 C ATOM 946 CH2 TRP B 6 79.736 76.252 11.637 1.00 23.28 C ATOM 947 HE1 TRP B 6 76.313 77.323 9.438 1.00 0.00 H ATOM 948 H TRP B 6 73.964 73.494 11.304 1.00 0.00 H ATOM 949 N LYS B 7 72.749 72.847 14.310 1.00 21.95 N ATOM 950 CA LYS B 7 71.869 72.351 15.351 1.00 20.56 C ATOM 951 C LYS B 7 71.182 71.087 14.847 1.00 19.71 C ATOM 952 O LYS B 7 71.260 70.735 13.666 1.00 19.27 O ATOM 953 CB LYS B 7 70.843 73.426 15.747 1.00 27.08 C ATOM 954 CG LYS B 7 69.897 73.836 14.623 1.00 27.47 C ATOM 955 CD LYS B 7 69.132 75.107 14.990 1.00 38.37 C ATOM 956 CE LYS B 7 67.714 75.124 14.436 1.00 36.77 C ATOM 957 NZ LYS B 7 66.931 76.254 15.024 1.00 46.93 N ATOM 958 HZ1 LYS B 7 66.888 76.144 16.057 1.00 0.00 H ATOM 959 HZ2 LYS B 7 67.395 77.155 14.790 1.00 0.00 H ATOM 960 HZ3 LYS B 7 65.967 76.247 14.633 1.00 0.00 H ATOM 961 H LYS B 7 72.351 73.012 13.363 1.00 0.00 H ATOM 962 N ARG B 8 70.506 70.402 15.753 1.00 18.71 N ATOM 963 CA ARG B 8 69.853 69.159 15.383 1.00 20.19 C ATOM 964 C ARG B 8 68.841 69.435 14.278 1.00 18.96 C ATOM 965 O ARG B 8 68.093 70.422 14.360 1.00 18.28 O ATOM 966 CB ARG B 8 69.160 68.534 16.589 1.00 19.32 C ATOM 967 CG ARG B 8 70.103 67.987 17.636 1.00 22.75 C ATOM 968 CD ARG B 8 69.351 67.200 18.707 1.00 21.37 C ATOM 969 NE ARG B 8 70.271 66.493 19.600 1.00 27.99 N ATOM 970 CZ ARG B 8 69.893 65.618 20.529 1.00 39.53 C ATOM 971 NH1 ARG B 8 68.608 65.334 20.700 1.00 32.63 N ATOM 972 NH2 ARG B 8 70.804 65.028 21.297 1.00 30.30 N ATOM 973 HE ARG B 8 71.288 66.688 19.502 1.00 0.00 H ATOM 974 HH12 ARG B 8 68.319 64.649 21.428 1.00 0.00 H ATOM 975 HH11 ARG B 8 67.890 65.796 20.106 1.00 0.00 H ATOM 976 HH22 ARG B 8 70.508 64.344 22.023 1.00 0.00 H ATOM 977 HH21 ARG B 8 71.812 65.250 21.172 1.00 0.00 H ATOM 978 H ARG B 8 70.442 70.753 16.730 1.00 0.00 H ATOM 979 N PRO B 9 68.796 68.614 13.226 1.00 19.35 N ATOM 980 CA PRO B 9 67.861 68.868 12.126 1.00 20.14 C ATOM 981 C PRO B 9 66.433 68.478 12.465 1.00 17.74 C ATOM 982 O PRO B 9 65.911 67.494 11.929 1.00 18.80 O ATOM 983 CB PRO B 9 68.427 68.007 10.990 1.00 22.29 C ATOM 984 CG PRO B 9 69.104 66.893 11.688 1.00 19.79 C ATOM 985 CD PRO B 9 69.701 67.492 12.922 1.00 20.29 C ATOM 986 N LEU B 10 65.790 69.269 13.327 1.00 22.67 N ATOM 987 CA LEU B 10 64.429 69.007 13.774 1.00 23.94 C ATOM 988 C LEU B 10 63.439 69.704 12.854 1.00 27.95 C ATOM 989 O LEU B 10 63.598 70.886 12.534 1.00 22.30 O ATOM 990 CB LEU B 10 64.220 69.493 15.207 1.00 22.28 C ATOM 991 CG LEU B 10 64.979 68.743 16.295 1.00 21.13 C ATOM 992 CD1 LEU B 10 64.811 69.443 17.643 1.00 27.62 C ATOM 993 CD2 LEU B 10 64.519 67.295 16.364 1.00 24.78 C ATOM 994 H LEU B 10 66.282 70.108 13.695 1.00 0.00 H ATOM 995 N VAL B 11 62.403 68.973 12.450 1.00 20.99 N ATOM 996 CA VAL B 11 61.367 69.511 11.582 1.00 24.56 C ATOM 997 C VAL B 11 60.015 69.044 12.099 1.00 29.88 C ATOM 998 O VAL B 11 59.910 68.069 12.848 1.00 24.56 O ATOM 999 CB VAL B 11 61.555 69.075 10.110 1.00 28.66 C ATOM 1000 CG1 VAL B 11 62.872 69.604 9.554 1.00 27.98 C ATOM 1001 CG2 VAL B 11 61.499 67.561 9.990 1.00 23.45 C ATOM 1002 H VAL B 11 62.332 67.984 12.765 1.00 0.00 H ATOM 1003 N THR B 12 58.972 69.751 11.679 1.00 26.31 N ATOM 1004 CA THR B 12 57.608 69.396 12.033 1.00 25.42 C ATOM 1005 C THR B 12 57.096 68.349 11.057 1.00 25.74 C ATOM 1006 O THR B 12 57.265 68.489 9.841 1.00 31.88 O ATOM 1007 CB THR B 12 56.693 70.624 12.009 1.00 28.66 C ATOM 1008 OG1 THR B 12 57.256 71.658 12.819 1.00 23.92 O ATOM 1009 CG2 THR B 12 55.319 70.271 12.554 1.00 29.29 C ATOM 1010 HG1 THR B 12 57.347 71.334 13.750 1.00 0.00 H ATOM 1011 H THR B 12 59.136 70.584 11.078 1.00 0.00 H ATOM 1012 N ILE B 13 56.482 67.297 11.594 1.00 27.07 N ATOM 1013 CA ILE B 13 55.876 66.246 10.792 1.00 22.60 C ATOM 1014 C ILE B 13 54.410 66.122 11.180 1.00 28.03 C ATOM 1015 O ILE B 13 53.976 66.599 12.232 1.00 29.36 O ATOM 1016 CB ILE B 13 56.587 64.885 10.959 1.00 23.89 C ATOM 1017 CG1 ILE B 13 56.416 64.360 12.390 1.00 25.16 C ATOM 1018 CG2 ILE B 13 58.061 65.015 10.592 1.00 25.46 C ATOM 1019 CD1 ILE B 13 56.865 62.946 12.580 1.00 29.77 C ATOM 1020 H ILE B 13 56.434 67.224 12.630 1.00 0.00 H ATOM 1021 N LYS B 14 53.650 65.455 10.313 1.00 23.60 N ATOM 1022 CA LYS B 14 52.237 65.179 10.544 1.00 25.25 C ATOM 1023 C LYS B 14 51.998 63.688 10.356 1.00 31.47 C ATOM 1024 O LYS B 14 52.247 63.152 9.273 1.00 30.97 O ATOM 1025 CB LYS B 14 51.352 65.998 9.595 1.00 39.70 C ATOM 1026 CG LYS B 14 49.854 65.758 9.778 1.00 47.64 C ATOM 1027 CD LYS B 14 49.014 66.785 9.019 1.00 51.07 C ATOM 1028 CE LYS B 14 48.439 66.205 7.737 1.00 68.01 C ATOM 1029 NZ LYS B 14 47.926 67.265 6.822 1.00 72.82 N ATOM 1030 HZ1 LYS B 14 47.175 67.801 7.301 1.00 0.00 H ATOM 1031 HZ2 LYS B 14 48.703 67.907 6.567 1.00 0.00 H ATOM 1032 HZ3 LYS B 14 47.544 66.823 5.962 1.00 0.00 H ATOM 1033 H LYS B 14 54.084 65.116 9.431 1.00 0.00 H ATOM 1034 N ILE B 15 51.540 63.019 11.411 1.00 33.31 N ATOM 1035 CA ILE B 15 51.288 61.582 11.381 1.00 39.88 C ATOM 1036 C ILE B 15 49.999 61.296 12.130 1.00 43.53 C ATOM 1037 O ILE B 15 49.769 61.830 13.221 1.00 38.82 O ATOM 1038 CB ILE B 15 52.445 60.767 11.996 1.00 37.75 C ATOM 1039 CG1 ILE B 15 52.075 59.272 12.010 1.00 35.27 C ATOM 1040 CG2 ILE B 15 52.766 61.274 13.395 1.00 36.98 C ATOM 1041 CD1 ILE B 15 53.163 58.361 12.465 1.00 36.38 C ATOM 1042 H ILE B 15 51.354 63.541 12.291 1.00 0.00 H ATOM 1043 N GLY B 16 49.173 60.429 11.554 1.00 45.69 N ATOM 1044 CA GLY B 16 47.895 60.102 12.174 1.00 52.59 C ATOM 1045 C GLY B 16 47.131 61.316 12.650 1.00 47.88 C ATOM 1046 O GLY B 16 46.509 61.281 13.720 1.00 51.35 O ATOM 1047 H GLY B 16 49.440 59.981 10.654 1.00 0.00 H ATOM 1048 N GLY B 17 47.175 62.403 11.881 1.00 41.09 N ATOM 1049 CA GLY B 17 46.480 63.619 12.255 1.00 40.79 C ATOM 1050 C GLY B 17 47.100 64.394 13.398 1.00 49.27 C ATOM 1051 O GLY B 17 46.445 65.277 13.958 1.00 52.87 O ATOM 1052 H GLY B 17 47.719 62.379 10.995 1.00 0.00 H ATOM 1053 N GLN B 18 48.351 64.104 13.755 1.00 44.70 N ATOM 1054 CA GLN B 18 49.040 64.790 14.842 1.00 39.03 C ATOM 1055 C GLN B 18 50.308 65.454 14.323 1.00 38.43 C ATOM 1056 O GLN B 18 50.995 64.908 13.454 1.00 34.61 O ATOM 1057 CB GLN B 18 49.408 63.822 15.968 1.00 41.50 C ATOM 1058 CG GLN B 18 48.242 63.345 16.817 1.00 47.60 C ATOM 1059 CD GLN B 18 48.709 62.647 18.084 1.00 53.81 C ATOM 1060 OE1 GLN B 18 49.499 61.700 18.030 1.00 49.53 O ATOM 1061 NE2 GLN B 18 48.236 63.124 19.234 1.00 50.27 N ATOM 1062 HE22 GLN B 18 47.572 63.924 19.231 1.00 0.00 H ATOM 1063 HE21 GLN B 18 48.531 62.696 20.135 1.00 0.00 H ATOM 1064 H GLN B 18 48.857 63.357 13.237 1.00 0.00 H ATOM 1065 N LEU B 19 50.620 66.628 14.869 1.00 33.32 N ATOM 1066 CA LEU B 19 51.845 67.344 14.539 1.00 34.24 C ATOM 1067 C LEU B 19 52.901 67.057 15.598 1.00 37.41 C ATOM 1068 O LEU B 19 52.617 67.119 16.800 1.00 40.08 O ATOM 1069 CB LEU B 19 51.597 68.850 14.432 1.00 38.02 C ATOM 1070 CG LEU B 19 50.634 69.327 13.342 1.00 35.99 C ATOM 1071 CD1 LEU B 19 50.649 70.832 13.298 1.00 27.42 C ATOM 1072 CD2 LEU B 19 50.988 68.772 11.979 1.00 32.50 C ATOM 1073 H LEU B 19 49.964 67.050 15.557 1.00 0.00 H ATOM 1074 N LYS B 20 54.115 66.748 15.147 1.00 25.87 N ATOM 1075 CA LYS B 20 55.227 66.418 16.028 1.00 28.55 C ATOM 1076 C LYS B 20 56.518 66.995 15.460 1.00 23.33 C ATOM 1077 O LYS B 20 56.602 67.344 14.282 1.00 27.16 O ATOM 1078 CB LYS B 20 55.372 64.898 16.200 1.00 21.41 C ATOM 1079 CG LYS B 20 54.159 64.227 16.832 1.00 32.88 C ATOM 1080 CD LYS B 20 54.238 62.717 16.704 1.00 39.82 C ATOM 1081 CE LYS B 20 53.118 62.023 17.472 1.00 42.23 C ATOM 1082 NZ LYS B 20 53.313 62.079 18.944 1.00 44.12 N ATOM 1083 HZ1 LYS B 20 54.208 61.611 19.192 1.00 0.00 H ATOM 1084 HZ2 LYS B 20 53.343 63.072 19.251 1.00 0.00 H ATOM 1085 HZ3 LYS B 20 52.524 61.593 19.416 1.00 0.00 H ATOM 1086 H LYS B 20 54.277 66.742 14.120 1.00 0.00 H ATOM 1087 N GLU B 21 57.529 67.090 16.320 1.00 24.96 N ATOM 1088 CA GLU B 21 58.889 67.413 15.912 1.00 26.82 C ATOM 1089 C GLU B 21 59.686 66.118 15.817 1.00 21.03 C ATOM 1090 O GLU B 21 59.567 65.243 16.681 1.00 18.61 O ATOM 1091 CB GLU B 21 59.559 68.376 16.900 1.00 26.35 C ATOM 1092 CG GLU B 21 58.876 69.733 17.052 1.00 44.65 C ATOM 1093 CD GLU B 21 59.307 70.737 15.997 1.00 47.51 C ATOM 1094 OE1 GLU B 21 58.530 70.952 15.043 1.00 41.59 O ATOM 1095 OE2 GLU B 21 60.417 71.305 16.122 1.00 46.14 O ATOM 1096 H GLU B 21 57.339 66.926 17.329 1.00 0.00 H ATOM 1097 N ALA B 22 60.491 66.001 14.755 1.00 15.92 N ATOM 1098 CA ALA B 22 61.248 64.792 14.466 1.00 18.48 C ATOM 1099 C ALA B 22 62.577 65.161 13.828 1.00 18.61 C ATOM 1100 O ALA B 22 62.713 66.197 13.170 1.00 18.84 O ATOM 1101 CB ALA B 22 60.492 63.846 13.525 1.00 20.98 C ATOM 1102 H ALA B 22 60.580 66.810 14.107 1.00 0.00 H ATOM 1103 N LEU B 23 63.544 64.282 14.022 1.00 17.75 N ATOM 1104 CA LEU B 23 64.907 64.458 13.550 1.00 20.64 C ATOM 1105 C LEU B 23 65.067 63.836 12.166 1.00 20.78 C ATOM 1106 O LEU B 23 64.686 62.678 11.955 1.00 20.39 O ATOM 1107 CB LEU B 23 65.848 63.791 14.551 1.00 18.35 C ATOM 1108 CG LEU B 23 67.289 64.244 14.685 1.00 24.08 C ATOM 1109 CD1 LEU B 23 67.328 65.640 15.244 1.00 22.04 C ATOM 1110 CD2 LEU B 23 68.035 63.279 15.600 1.00 29.62 C ATOM 1111 H LEU B 23 63.316 63.412 14.544 1.00 0.00 H ATOM 1112 N LEU B 24 65.609 64.607 11.220 1.00 19.68 N ATOM 1113 CA LEU B 24 65.960 64.071 9.902 1.00 16.43 C ATOM 1114 C LEU B 24 67.289 63.341 10.039 1.00 19.97 C ATOM 1115 O LEU B 24 68.351 63.963 10.135 1.00 19.96 O ATOM 1116 CB LEU B 24 66.051 65.179 8.859 1.00 19.50 C ATOM 1117 CG LEU B 24 64.792 66.013 8.602 1.00 19.06 C ATOM 1118 CD1 LEU B 24 65.085 67.055 7.541 1.00 31.11 C ATOM 1119 CD2 LEU B 24 63.612 65.144 8.199 1.00 27.20 C ATOM 1120 H LEU B 24 65.786 65.611 11.423 1.00 0.00 H ATOM 1121 N ASP B 25 67.242 62.015 10.025 1.00 18.08 N ATOM 1122 CA ASP B 25 68.355 61.193 10.497 1.00 14.31 C ATOM 1123 C ASP B 25 68.835 60.253 9.396 1.00 22.68 C ATOM 1124 O ASP B 25 68.306 59.147 9.227 1.00 16.72 O ATOM 1125 CB ASP B 25 67.952 60.409 11.736 1.00 13.71 C ATOM 1126 CG ASP B 25 69.126 59.723 12.377 1.00 17.29 C ATOM 1127 OD1 ASP B 25 70.211 59.739 11.757 1.00 17.34 O ATOM 1128 OD2 ASP B 25 68.972 59.185 13.493 1.00 18.77 O ATOM 1129 H ASP B 25 66.386 61.545 9.667 1.00 0.00 H ATOM 1130 N THR B 26 69.893 60.669 8.699 1.00 18.86 N ATOM 1131 CA THR B 26 70.509 59.814 7.695 1.00 16.03 C ATOM 1132 C THR B 26 71.128 58.556 8.296 1.00 17.70 C ATOM 1133 O THR B 26 71.377 57.593 7.562 1.00 20.66 O ATOM 1134 CB THR B 26 71.584 60.585 6.929 1.00 17.21 C ATOM 1135 OG1 THR B 26 72.617 60.983 7.834 1.00 20.18 O ATOM 1136 CG2 THR B 26 70.995 61.814 6.235 1.00 15.66 C ATOM 1137 HG1 THR B 26 73.018 60.179 8.249 1.00 0.00 H ATOM 1138 H THR B 26 70.283 61.617 8.875 1.00 0.00 H ATOM 1139 N GLY B 27 71.393 58.537 9.601 1.00 16.97 N ATOM 1140 CA GLY B 27 71.946 57.349 10.223 1.00 21.05 C ATOM 1141 C GLY B 27 70.930 56.308 10.637 1.00 17.45 C ATOM 1142 O GLY B 27 71.320 55.214 11.041 1.00 14.74 O ATOM 1143 H GLY B 27 71.202 59.380 10.179 1.00 0.00 H ATOM 1144 N ALA B 28 69.642 56.620 10.562 1.00 19.63 N ATOM 1145 CA ALA B 28 68.590 55.687 10.931 1.00 16.11 C ATOM 1146 C ALA B 28 68.074 55.006 9.674 1.00 15.69 C ATOM 1147 O ALA B 28 67.638 55.680 8.740 1.00 17.30 O ATOM 1148 CB ALA B 28 67.451 56.403 11.649 1.00 14.12 C ATOM 1149 H ALA B 28 69.375 57.568 10.227 1.00 0.00 H ATOM 1150 N ASP B 29 68.129 53.674 9.653 1.00 18.28 N ATOM 1151 CA ASP B 29 67.561 52.926 8.536 1.00 22.40 C ATOM 1152 C ASP B 29 66.069 53.188 8.398 1.00 19.79 C ATOM 1153 O ASP B 29 65.563 53.385 7.288 1.00 18.58 O ATOM 1154 CB ASP B 29 67.789 51.433 8.738 1.00 21.88 C ATOM 1155 CG ASP B 29 69.241 51.021 8.573 1.00 27.68 C ATOM 1156 OD1 ASP B 29 70.029 51.768 7.953 1.00 26.65 O ATOM 1157 OD2 ASP B 29 69.590 49.925 9.063 1.00 26.88 O ATOM 1158 H ASP B 29 68.580 53.164 10.439 1.00 0.00 H ATOM 1159 N ASP B 30 65.342 53.154 9.512 1.00 18.16 N ATOM 1160 CA ASP B 30 63.889 53.213 9.507 1.00 17.69 C ATOM 1161 C ASP B 30 63.411 54.255 10.502 1.00 20.02 C ATOM 1162 O ASP B 30 64.084 54.553 11.490 1.00 22.27 O ATOM 1163 CB ASP B 30 63.277 51.854 9.849 1.00 24.37 C ATOM 1164 CG ASP B 30 63.439 50.860 8.723 1.00 23.36 C ATOM 1165 OD1 ASP B 30 62.860 51.095 7.641 1.00 23.70 O ATOM 1166 OD2 ASP B 30 64.175 49.878 8.908 1.00 26.04 O ATOM 1167 H ASP B 30 65.834 53.082 10.425 1.00 0.00 H ATOM 1168 N THR B 31 62.237 54.801 10.221 1.00 18.48 N ATOM 1169 CA THR B 31 61.645 55.825 11.063 1.00 18.38 C ATOM 1170 C THR B 31 61.162 55.209 12.369 1.00 21.84 C ATOM 1171 O THR B 31 60.493 54.170 12.369 1.00 20.01 O ATOM 1172 CB THR B 31 60.487 56.474 10.302 1.00 19.21 C ATOM 1173 OG1 THR B 31 60.996 57.105 9.125 1.00 19.84 O ATOM 1174 CG2 THR B 31 59.756 57.491 11.133 1.00 17.78 C ATOM 1175 HG1 THR B 31 61.434 56.427 8.551 1.00 0.00 H ATOM 1176 H THR B 31 61.724 54.487 9.372 1.00 0.00 H ATOM 1177 N VAL B 32 61.513 55.838 13.484 1.00 17.50 N ATOM 1178 CA VAL B 32 61.037 55.420 14.797 1.00 18.13 C ATOM 1179 C VAL B 32 60.498 56.645 15.513 1.00 22.16 C ATOM 1180 O VAL B 32 61.194 57.663 15.626 1.00 18.31 O ATOM 1181 CB VAL B 32 62.141 54.731 15.627 1.00 21.12 C ATOM 1182 CG1 VAL B 32 63.347 55.628 15.798 1.00 22.72 C ATOM 1183 CG2 VAL B 32 61.593 54.260 16.993 1.00 16.51 C ATOM 1184 H VAL B 32 62.150 56.658 13.419 1.00 0.00 H ATOM 1185 N LEU B 33 59.259 56.548 15.993 1.00 15.27 N ATOM 1186 CA LEU B 33 58.601 57.646 16.680 1.00 18.76 C ATOM 1187 C LEU B 33 58.322 57.280 18.133 1.00 23.41 C ATOM 1188 O LEU B 33 58.157 56.106 18.485 1.00 16.86 O ATOM 1189 CB LEU B 33 57.289 58.028 15.987 1.00 16.20 C ATOM 1190 CG LEU B 33 57.393 58.456 14.521 1.00 20.52 C ATOM 1191 CD1 LEU B 33 56.004 58.809 14.003 1.00 29.37 C ATOM 1192 CD2 LEU B 33 58.363 59.615 14.334 1.00 20.42 C ATOM 1193 H LEU B 33 58.744 55.653 15.871 1.00 0.00 H ATOM 1194 N GLU B 34 58.270 58.312 18.966 1.00 17.66 N ATOM 1195 CA GLU B 34 57.943 58.165 20.376 1.00 26.82 C ATOM 1196 C GLU B 34 56.620 57.424 20.553 1.00 25.13 C ATOM 1197 O GLU B 34 55.758 57.410 19.671 1.00 20.61 O ATOM 1198 CB GLU B 34 57.862 59.539 21.047 1.00 25.75 C ATOM 1199 CG GLU B 34 59.219 60.096 21.488 1.00 40.04 C ATOM 1200 CD GLU B 34 59.134 61.483 22.115 1.00 48.70 C ATOM 1201 OE1 GLU B 34 59.220 62.487 21.370 1.00 43.61 O ATOM 1202 OE2 GLU B 34 58.990 61.561 23.357 1.00 54.53 O ATOM 1203 H GLU B 34 58.471 59.263 18.596 1.00 0.00 H ATOM 1204 N GLU B 35 56.462 56.814 21.727 1.00 25.29 N ATOM 1205 CA GLU B 35 55.267 56.028 22.015 1.00 34.73 C ATOM 1206 C GLU B 35 54.011 56.822 21.677 1.00 32.71 C ATOM 1207 O GLU B 35 53.843 57.963 22.113 1.00 34.30 O ATOM 1208 CB GLU B 35 55.256 55.614 23.489 1.00 42.15 C ATOM 1209 CG GLU B 35 54.045 54.780 23.902 1.00 48.89 C ATOM 1210 CD GLU B 35 53.906 53.502 23.094 1.00 44.94 C ATOM 1211 OE1 GLU B 35 54.925 52.808 22.898 1.00 33.87 O ATOM 1212 OE2 GLU B 35 52.778 53.191 22.654 1.00 58.07 O ATOM 1213 H GLU B 35 57.204 56.900 22.451 1.00 0.00 H ATOM 1214 N MET B 36 53.147 56.218 20.867 1.00 33.42 N ATOM 1215 CA MET B 36 51.886 56.822 20.462 1.00 49.53 C ATOM 1216 C MET B 36 50.925 55.696 20.108 1.00 51.17 C ATOM 1217 O MET B 36 51.343 54.589 19.764 1.00 42.57 O ATOM 1218 CB MET B 36 52.063 57.782 19.275 1.00 43.68 C ATOM 1219 CG MET B 36 52.354 57.097 17.938 1.00 48.93 C ATOM 1220 SD MET B 36 52.720 58.259 16.600 1.00 33.94 S ATOM 1221 CE MET B 36 51.196 59.198 16.537 1.00 45.93 C ATOM 1222 H MET B 36 53.383 55.271 20.506 1.00 0.00 H ATOM 1223 N ASN B 37 49.627 55.988 20.195 1.00 58.66 N ATOM 1224 CA ASN B 37 48.590 54.968 20.019 1.00 70.90 C ATOM 1225 C ASN B 37 48.080 55.016 18.580 1.00 64.26 C ATOM 1226 O ASN B 37 47.049 55.614 18.273 1.00 63.17 O ATOM 1227 CB ASN B 37 47.457 55.174 21.023 1.00 75.76 C ATOM 1228 CG ASN B 37 47.962 55.379 22.438 1.00 78.43 C ATOM 1229 OD1 ASN B 37 48.205 56.511 22.865 1.00 74.88 O ATOM 1230 ND2 ASN B 37 48.119 54.284 23.176 1.00 80.22 N ATOM 1231 HD22 ASN B 37 47.901 53.350 22.774 1.00 0.00 H ATOM 1232 HD21 ASN B 37 48.459 54.362 24.156 1.00 0.00 H ATOM 1233 H ASN B 37 49.342 56.968 20.394 1.00 0.00 H ATOM 1234 N LEU B 38 48.814 54.354 17.689 1.00 60.75 N ATOM 1235 CA LEU B 38 48.382 54.250 16.299 1.00 53.38 C ATOM 1236 C LEU B 38 47.420 53.075 16.129 1.00 59.52 C ATOM 1237 O LEU B 38 47.648 52.001 16.693 1.00 59.51 O ATOM 1238 CB LEU B 38 49.574 54.051 15.367 1.00 55.45 C ATOM 1239 CG LEU B 38 50.241 55.283 14.751 1.00 62.39 C ATOM 1240 CD1 LEU B 38 51.432 54.847 13.905 1.00 46.24 C ATOM 1241 CD2 LEU B 38 49.266 56.098 13.908 1.00 60.74 C ATOM 1242 H LEU B 38 49.704 53.906 17.986 1.00 0.00 H ATOM 1243 N PRO B 39 46.345 53.229 15.364 1.00 57.45 N ATOM 1244 CA PRO B 39 45.463 52.092 15.089 1.00 61.98 C ATOM 1245 C PRO B 39 46.092 51.154 14.068 1.00 52.59 C ATOM 1246 O PRO B 39 47.089 51.469 13.420 1.00 46.16 O ATOM 1247 CB PRO B 39 44.193 52.750 14.540 1.00 64.78 C ATOM 1248 CG PRO B 39 44.665 54.013 13.927 1.00 69.63 C ATOM 1249 CD PRO B 39 45.862 54.466 14.725 1.00 69.07 C ATOM 1250 N GLY B 40 45.495 49.975 13.948 1.00 58.97 N ATOM 1251 CA GLY B 40 45.918 48.995 12.971 1.00 53.31 C ATOM 1252 C GLY B 40 46.856 47.956 13.561 1.00 45.07 C ATOM 1253 O GLY B 40 47.296 48.035 14.712 1.00 45.03 O ATOM 1254 H GLY B 40 44.698 49.748 14.576 1.00 0.00 H ATOM 1255 N ARG B 41 47.164 46.966 12.731 1.00 40.16 N ATOM 1256 CA ARG B 41 48.014 45.859 13.129 1.00 46.32 C ATOM 1257 C ARG B 41 49.483 46.271 13.104 1.00 42.16 C ATOM 1258 O ARG B 41 49.889 47.202 12.404 1.00 39.19 O ATOM 1259 CB ARG B 41 47.792 44.658 12.210 1.00 34.61 C ATOM 1260 H ARG B 41 46.783 46.985 11.763 1.00 0.00 H ATOM 1261 N TRP B 42 50.286 45.547 13.878 1.00 38.39 N ATOM 1262 CA TRP B 42 51.709 45.830 13.973 1.00 35.71 C ATOM 1263 C TRP B 42 52.461 44.541 14.270 1.00 33.58 C ATOM 1264 O TRP B 42 51.876 43.531 14.672 1.00 27.98 O ATOM 1265 CB TRP B 42 51.979 46.877 15.049 1.00 27.11 C ATOM 1266 CG TRP B 42 51.376 46.520 16.384 1.00 39.69 C ATOM 1267 CD1 TRP B 42 50.108 46.793 16.812 1.00 42.53 C ATOM 1268 CD2 TRP B 42 52.019 45.828 17.457 1.00 35.43 C ATOM 1269 NE1 TRP B 42 49.924 46.313 18.084 1.00 42.55 N ATOM 1270 CE2 TRP B 42 51.082 45.715 18.503 1.00 35.73 C ATOM 1271 CE3 TRP B 42 53.297 45.293 17.637 1.00 36.73 C ATOM 1272 CZ2 TRP B 42 51.384 45.096 19.711 1.00 38.26 C ATOM 1273 CZ3 TRP B 42 53.593 44.673 18.837 1.00 33.47 C ATOM 1274 CH2 TRP B 42 52.642 44.584 19.860 1.00 36.70 C ATOM 1275 HE1 TRP B 42 49.048 46.391 18.639 1.00 0.00 H ATOM 1276 H TRP B 42 49.887 44.760 14.428 1.00 0.00 H ATOM 1277 N LYS B 43 53.780 44.594 14.085 1.00 26.66 N ATOM 1278 CA LYS B 43 54.652 43.453 14.329 1.00 28.93 C ATOM 1279 C LYS B 43 55.781 43.864 15.271 1.00 30.27 C ATOM 1280 O LYS B 43 56.430 44.900 15.040 1.00 23.77 O ATOM 1281 CB LYS B 43 55.219 42.932 13.006 1.00 29.95 C ATOM 1282 H LYS B 43 54.203 45.484 13.754 1.00 0.00 H ATOM 1283 N PRO B 44 56.062 43.095 16.327 1.00 27.56 N ATOM 1284 CA PRO B 44 57.150 43.482 17.234 1.00 31.13 C ATOM 1285 C PRO B 44 58.506 43.436 16.545 1.00 25.38 C ATOM 1286 O PRO B 44 58.757 42.612 15.661 1.00 20.77 O ATOM 1287 CB PRO B 44 57.063 42.448 18.363 1.00 32.94 C ATOM 1288 CG PRO B 44 56.381 41.291 17.757 1.00 26.40 C ATOM 1289 CD PRO B 44 55.423 41.835 16.753 1.00 24.88 C ATOM 1290 N LYS B 45 59.397 44.321 16.984 1.00 23.43 N ATOM 1291 CA LYS B 45 60.733 44.407 16.412 1.00 22.21 C ATOM 1292 C LYS B 45 61.684 44.947 17.473 1.00 23.47 C ATOM 1293 O LYS B 45 61.258 45.561 18.453 1.00 25.77 O ATOM 1294 CB LYS B 45 60.724 45.305 15.167 1.00 27.03 C ATOM 1295 CG LYS B 45 62.008 45.338 14.378 1.00 27.23 C ATOM 1296 CD LYS B 45 61.781 46.054 13.061 1.00 30.81 C ATOM 1297 CE LYS B 45 63.083 46.528 12.438 1.00 36.55 C ATOM 1298 NZ LYS B 45 63.996 45.408 12.089 1.00 55.75 N ATOM 1299 HZ1 LYS B 45 64.231 44.873 12.949 1.00 0.00 H ATOM 1300 HZ2 LYS B 45 63.527 44.780 11.406 1.00 0.00 H ATOM 1301 HZ3 LYS B 45 64.867 45.790 11.668 1.00 0.00 H ATOM 1302 H LYS B 45 59.133 44.967 17.755 1.00 0.00 H ATOM 1303 N MET B 46 62.979 44.709 17.272 1.00 20.85 N ATOM 1304 CA MET B 46 64.012 45.293 18.119 1.00 22.51 C ATOM 1305 C MET B 46 65.015 45.986 17.208 1.00 23.93 C ATOM 1306 O MET B 46 65.362 45.459 16.147 1.00 21.43 O ATOM 1307 CB MET B 46 64.679 44.233 19.023 1.00 22.67 C ATOM 1308 CG MET B 46 63.946 44.081 20.404 1.00 24.78 C ATOM 1309 SD MET B 46 64.438 42.718 21.465 1.00 57.75 S ATOM 1310 CE MET B 46 65.865 43.424 22.291 1.00 33.97 C ATOM 1311 H MET B 46 63.262 44.088 16.487 1.00 0.00 H ATOM 1312 N ILE B 47 65.423 47.194 17.591 1.00 20.00 N ATOM 1313 CA ILE B 47 66.357 48.000 16.814 1.00 20.88 C ATOM 1314 C ILE B 47 67.507 48.401 17.721 1.00 20.42 C ATOM 1315 O ILE B 47 67.307 48.679 18.910 1.00 16.75 O ATOM 1316 CB ILE B 47 65.695 49.251 16.198 1.00 20.74 C ATOM 1317 CG1 ILE B 47 65.126 50.177 17.286 1.00 18.50 C ATOM 1318 CG2 ILE B 47 64.620 48.841 15.199 1.00 23.11 C ATOM 1319 CD1 ILE B 47 64.752 51.548 16.759 1.00 21.91 C ATOM 1320 H ILE B 47 65.059 47.580 18.485 1.00 0.00 H ATOM 1321 N GLY B 48 68.709 48.430 17.154 1.00 21.11 N ATOM 1322 CA GLY B 48 69.925 48.576 17.926 1.00 22.73 C ATOM 1323 C GLY B 48 70.668 49.850 17.572 1.00 17.95 C ATOM 1324 O GLY B 48 70.634 50.315 16.434 1.00 18.14 O ATOM 1325 H GLY B 48 68.778 48.345 16.120 1.00 0.00 H ATOM 1326 N GLY B 49 71.350 50.397 18.558 1.00 17.69 N ATOM 1327 CA GLY B 49 72.191 51.553 18.373 1.00 19.15 C ATOM 1328 C GLY B 49 73.133 51.670 19.551 1.00 18.21 C ATOM 1329 O GLY B 49 73.380 50.704 20.273 1.00 15.80 O ATOM 1330 H GLY B 49 71.279 49.978 19.507 1.00 0.00 H ATOM 1331 N ILE B 50 73.647 52.879 19.772 1.00 19.38 N ATOM 1332 CA ILE B 50 74.512 53.094 20.923 1.00 18.65 C ATOM 1333 C ILE B 50 73.719 52.801 22.186 1.00 22.93 C ATOM 1334 O ILE B 50 72.593 53.285 22.362 1.00 20.96 O ATOM 1335 CB ILE B 50 75.088 54.520 20.906 1.00 19.40 C ATOM 1336 CG1 ILE B 50 76.212 54.611 19.873 1.00 15.94 C ATOM 1337 CG2 ILE B 50 75.606 54.940 22.291 1.00 18.99 C ATOM 1338 CD1 ILE B 50 76.571 56.061 19.484 1.00 20.53 C ATOM 1339 H ILE B 50 73.432 53.665 19.126 1.00 0.00 H ATOM 1340 N GLY B 51 74.297 51.982 23.064 1.00 21.97 N ATOM 1341 CA GLY B 51 73.674 51.604 24.312 1.00 21.28 C ATOM 1342 C GLY B 51 72.923 50.286 24.282 1.00 25.77 C ATOM 1343 O GLY B 51 72.569 49.771 25.353 1.00 23.64 O ATOM 1344 H GLY B 51 75.238 51.598 22.841 1.00 0.00 H ATOM 1345 N GLY B 52 72.655 49.732 23.101 1.00 25.52 N ATOM 1346 CA GLY B 52 71.893 48.499 23.024 1.00 26.21 C ATOM 1347 C GLY B 52 70.609 48.614 22.228 1.00 22.33 C ATOM 1348 O GLY B 52 70.522 49.417 21.292 1.00 20.68 O ATOM 1349 H GLY B 52 72.994 50.186 22.229 1.00 0.00 H ATOM 1350 N PHE B 53 69.598 47.828 22.600 1.00 20.86 N ATOM 1351 CA PHE B 53 68.386 47.683 21.805 1.00 20.68 C ATOM 1352 C PHE B 53 67.169 48.186 22.567 1.00 24.47 C ATOM 1353 O PHE B 53 67.137 48.190 23.801 1.00 20.93 O ATOM 1354 CB PHE B 53 68.157 46.215 21.390 1.00 20.75 C ATOM 1355 CG PHE B 53 69.110 45.734 20.327 1.00 21.88 C ATOM 1356 CD1 PHE B 53 70.436 45.487 20.633 1.00 23.18 C ATOM 1357 CD2 PHE B 53 68.684 45.540 19.023 1.00 22.55 C ATOM 1358 CE1 PHE B 53 71.316 45.058 19.664 1.00 20.01 C ATOM 1359 CE2 PHE B 53 69.569 45.113 18.046 1.00 24.40 C ATOM 1360 CZ PHE B 53 70.883 44.870 18.372 1.00 21.17 C ATOM 1361 H PHE B 53 69.678 47.298 23.492 1.00 0.00 H ATOM 1362 N ILE B 54 66.160 48.617 21.802 1.00 22.29 N ATOM 1363 CA ILE B 54 64.832 48.877 22.339 1.00 20.73 C ATOM 1364 C ILE B 54 63.805 48.086 21.533 1.00 22.70 C ATOM 1365 O ILE B 54 63.973 47.833 20.333 1.00 17.76 O ATOM 1366 CB ILE B 54 64.476 50.387 22.354 1.00 18.27 C ATOM 1367 CG1 ILE B 54 64.465 50.973 20.945 1.00 18.77 C ATOM 1368 CG2 ILE B 54 65.463 51.132 23.224 1.00 25.46 C ATOM 1369 CD1 ILE B 54 63.827 52.364 20.877 1.00 25.46 C ATOM 1370 H ILE B 54 66.330 48.772 20.788 1.00 0.00 H ATOM 1371 N LYS B 55 62.730 47.704 22.210 1.00 21.56 N ATOM 1372 CA LYS B 55 61.613 47.017 21.579 1.00 23.62 C ATOM 1373 C LYS B 55 60.657 48.041 20.993 1.00 21.35 C ATOM 1374 O LYS B 55 60.330 49.041 21.642 1.00 23.10 O ATOM 1375 CB LYS B 55 60.877 46.134 22.593 1.00 25.75 C ATOM 1376 CG LYS B 55 59.777 45.271 21.965 1.00 37.76 C ATOM 1377 CD LYS B 55 59.284 44.173 22.906 1.00 56.48 C ATOM 1378 CE LYS B 55 58.327 44.700 23.977 1.00 57.52 C ATOM 1379 NZ LYS B 55 57.397 43.632 24.461 1.00 64.72 N ATOM 1380 HZ1 LYS B 55 56.833 43.277 23.663 1.00 0.00 H ATOM 1381 HZ2 LYS B 55 57.950 42.852 24.870 1.00 0.00 H ATOM 1382 HZ3 LYS B 55 56.764 44.027 25.186 1.00 0.00 H ATOM 1383 H LYS B 55 62.684 47.903 23.230 1.00 0.00 H ATOM 1384 N VAL B 56 60.204 47.787 19.761 1.00 21.85 N ATOM 1385 CA VAL B 56 59.326 48.714 19.059 1.00 18.91 C ATOM 1386 C VAL B 56 58.205 47.952 18.364 1.00 19.74 C ATOM 1387 O VAL B 56 58.273 46.737 18.163 1.00 19.46 O ATOM 1388 CB VAL B 56 60.081 49.579 18.020 1.00 21.58 C ATOM 1389 CG1 VAL B 56 61.153 50.433 18.701 1.00 25.12 C ATOM 1390 CG2 VAL B 56 60.705 48.718 16.929 1.00 21.65 C ATOM 1391 H VAL B 56 60.486 46.903 19.291 1.00 0.00 H ATOM 1392 N ARG B 57 57.174 48.701 17.976 1.00 19.79 N ATOM 1393 CA ARG B 57 56.055 48.181 17.196 1.00 21.68 C ATOM 1394 C ARG B 57 56.178 48.675 15.760 1.00 22.20 C ATOM 1395 O ARG B 57 56.265 49.885 15.518 1.00 22.78 O ATOM 1396 CB ARG B 57 54.726 48.611 17.812 1.00 26.17 C ATOM 1397 CG ARG B 57 54.628 48.249 19.276 1.00 27.15 C ATOM 1398 CD ARG B 57 53.195 48.283 19.792 1.00 39.91 C ATOM 1399 NE ARG B 57 52.589 49.606 19.686 1.00 40.22 N ATOM 1400 CZ ARG B 57 52.911 50.643 20.454 1.00 49.29 C ATOM 1401 NH1 ARG B 57 52.297 51.803 20.284 1.00 38.69 N ATOM 1402 NH2 ARG B 57 53.848 50.531 21.387 1.00 51.23 N ATOM 1403 HE ARG B 57 51.856 49.748 18.962 1.00 0.00 H ATOM 1404 HH12 ARG B 57 52.546 52.616 20.883 1.00 0.00 H ATOM 1405 HH11 ARG B 57 51.565 51.902 19.552 1.00 0.00 H ATOM 1406 HH22 ARG B 57 54.091 51.349 21.981 1.00 0.00 H ATOM 1407 HH21 ARG B 57 54.340 49.625 21.524 1.00 0.00 H ATOM 1408 H ARG B 57 57.166 49.706 18.242 1.00 0.00 H ATOM 1409 N GLN B 58 56.209 47.740 14.814 1.00 24.46 N ATOM 1410 CA GLN B 58 56.386 48.066 13.403 1.00 25.58 C ATOM 1411 C GLN B 58 55.019 48.168 12.738 1.00 29.85 C ATOM 1412 O GLN B 58 54.303 47.166 12.613 1.00 28.93 O ATOM 1413 CB GLN B 58 57.246 47.014 12.709 1.00 21.48 C ATOM 1414 CG GLN B 58 57.446 47.265 11.219 1.00 26.48 C ATOM 1415 CD GLN B 58 58.125 46.111 10.513 1.00 36.83 C ATOM 1416 OE1 GLN B 58 58.949 45.406 11.100 1.00 35.97 O ATOM 1417 NE2 GLN B 58 57.776 45.905 9.243 1.00 37.14 N ATOM 1418 HE22 GLN B 58 57.076 46.526 8.789 1.00 0.00 H ATOM 1419 HE21 GLN B 58 58.204 45.123 8.706 1.00 0.00 H ATOM 1420 H GLN B 58 56.103 46.743 15.090 1.00 0.00 H ATOM 1421 N TYR B 59 54.665 49.377 12.313 1.00 29.51 N ATOM 1422 CA TYR B 59 53.473 49.636 11.516 1.00 27.98 C ATOM 1423 C TYR B 59 53.892 49.846 10.067 1.00 28.35 C ATOM 1424 O TYR B 59 54.945 50.429 9.799 1.00 28.10 O ATOM 1425 CB TYR B 59 52.730 50.869 12.035 1.00 30.81 C ATOM 1426 CG TYR B 59 52.137 50.703 13.419 1.00 37.27 C ATOM 1427 CD1 TYR B 59 52.892 50.952 14.555 1.00 33.79 C ATOM 1428 CD2 TYR B 59 50.816 50.301 13.585 1.00 43.92 C ATOM 1429 CE1 TYR B 59 52.351 50.802 15.824 1.00 33.60 C ATOM 1430 CE2 TYR B 59 50.266 50.147 14.845 1.00 42.25 C ATOM 1431 CZ TYR B 59 51.038 50.397 15.962 1.00 46.96 C ATOM 1432 OH TYR B 59 50.492 50.243 17.217 1.00 46.51 O ATOM 1433 HH TYR B 59 49.718 50.852 17.316 1.00 0.00 H ATOM 1434 H TYR B 59 55.273 50.183 12.563 1.00 0.00 H ATOM 1435 N ASP B 60 53.082 49.353 9.133 1.00 30.09 N ATOM 1436 CA ASP B 60 53.408 49.409 7.716 1.00 29.04 C ATOM 1437 C ASP B 60 52.458 50.357 6.992 1.00 25.06 C ATOM 1438 O ASP B 60 51.315 50.565 7.410 1.00 31.12 O ATOM 1439 CB ASP B 60 53.346 48.016 7.081 1.00 40.08 C ATOM 1440 CG ASP B 60 54.406 47.073 7.631 1.00 47.44 C ATOM 1441 OD1 ASP B 60 55.554 47.521 7.853 1.00 44.45 O ATOM 1442 OD2 ASP B 60 54.089 45.881 7.846 1.00 51.92 O ATOM 1443 H ASP B 60 52.186 48.913 9.426 1.00 0.00 H ATOM 1444 N GLN B 61 52.953 50.947 5.908 1.00 31.46 N ATOM 1445 CA GLN B 61 52.161 51.844 5.064 1.00 36.62 C ATOM 1446 C GLN B 61 51.513 52.968 5.873 1.00 29.73 C ATOM 1447 O GLN B 61 50.313 53.226 5.777 1.00 36.72 O ATOM 1448 CB GLN B 61 51.104 51.052 4.292 1.00 41.67 C ATOM 1449 CG GLN B 61 51.696 50.025 3.352 1.00 46.12 C ATOM 1450 CD GLN B 61 52.683 50.643 2.376 1.00 52.93 C ATOM 1451 OE1 GLN B 61 53.889 50.419 2.472 1.00 55.76 O ATOM 1452 NE2 GLN B 61 52.173 51.437 1.439 1.00 48.87 N ATOM 1453 HE22 GLN B 61 51.146 51.598 1.396 1.00 0.00 H ATOM 1454 HE21 GLN B 61 52.801 51.897 0.749 1.00 0.00 H ATOM 1455 H GLN B 61 53.943 50.764 5.649 1.00 0.00 H ATOM 1456 N ILE B 62 52.327 53.659 6.668 1.00 29.59 N ATOM 1457 CA ILE B 62 51.869 54.795 7.463 1.00 31.41 C ATOM 1458 C ILE B 62 52.212 56.077 6.718 1.00 29.45 C ATOM 1459 O ILE B 62 53.365 56.280 6.315 1.00 33.70 O ATOM 1460 CB ILE B 62 52.509 54.792 8.862 1.00 31.61 C ATOM 1461 CG1 ILE B 62 52.182 53.485 9.602 1.00 28.18 C ATOM 1462 CG2 ILE B 62 52.064 56.019 9.663 1.00 27.93 C ATOM 1463 CD1 ILE B 62 50.733 53.335 10.001 1.00 29.88 C ATOM 1464 H ILE B 62 53.327 53.379 6.725 1.00 0.00 H ATOM 1465 N LEU B 63 51.227 56.956 6.566 1.00 34.87 N ATOM 1466 CA LEU B 63 51.418 58.218 5.860 1.00 35.81 C ATOM 1467 C LEU B 63 51.967 59.272 6.814 1.00 28.13 C ATOM 1468 O LEU B 63 51.398 59.515 7.882 1.00 30.70 O ATOM 1469 CB LEU B 63 50.101 58.692 5.245 1.00 43.60 C ATOM 1470 CG LEU B 63 50.119 59.922 4.314 1.00 51.23 C ATOM 1471 CD1 LEU B 63 50.062 61.233 5.080 1.00 50.16 C ATOM 1472 CD2 LEU B 63 51.326 59.919 3.380 1.00 44.12 C ATOM 1473 H LEU B 63 50.291 56.737 6.963 1.00 0.00 H ATOM 1474 N ILE B 64 53.074 59.896 6.424 1.00 31.39 N ATOM 1475 CA ILE B 64 53.674 60.983 7.187 1.00 32.06 C ATOM 1476 C ILE B 64 53.943 62.131 6.231 1.00 36.55 C ATOM 1477 O ILE B 64 54.406 61.917 5.106 1.00 40.91 O ATOM 1478 CB ILE B 64 54.980 60.552 7.890 1.00 32.47 C ATOM 1479 CG1 ILE B 64 54.672 59.560 9.010 1.00 37.65 C ATOM 1480 CG2 ILE B 64 55.739 61.774 8.449 1.00 36.23 C ATOM 1481 CD1 ILE B 64 55.908 59.057 9.740 1.00 30.52 C ATOM 1482 H ILE B 64 53.530 59.596 5.539 1.00 0.00 H ATOM 1483 N GLU B 65 53.670 63.349 6.685 1.00 23.97 N ATOM 1484 CA GLU B 65 53.953 64.547 5.910 1.00 38.14 C ATOM 1485 C GLU B 65 55.098 65.297 6.580 1.00 33.77 C ATOM 1486 O GLU B 65 54.988 65.698 7.744 1.00 31.75 O ATOM 1487 CB GLU B 65 52.712 65.430 5.786 1.00 37.14 C ATOM 1488 CG GLU B 65 52.856 66.567 4.793 1.00 38.38 C ATOM 1489 CD GLU B 65 51.547 67.290 4.569 1.00 39.30 C ATOM 1490 OE1 GLU B 65 50.560 66.620 4.203 1.00 37.21 O ATOM 1491 OE2 GLU B 65 51.500 68.519 4.776 1.00 47.62 O ATOM 1492 H GLU B 65 53.239 63.450 7.626 1.00 0.00 H ATOM 1493 N ILE B 66 56.192 65.468 5.847 1.00 33.80 N ATOM 1494 CA ILE B 66 57.398 66.122 6.340 1.00 38.42 C ATOM 1495 C ILE B 66 57.560 67.426 5.566 1.00 40.25 C ATOM 1496 O ILE B 66 57.827 67.411 4.357 1.00 34.36 O ATOM 1497 CB ILE B 66 58.630 65.219 6.183 1.00 40.39 C ATOM 1498 CG1 ILE B 66 58.454 63.926 6.982 1.00 36.74 C ATOM 1499 CG2 ILE B 66 59.893 65.928 6.649 1.00 45.99 C ATOM 1500 CD1 ILE B 66 58.933 62.687 6.254 1.00 39.52 C ATOM 1501 H ILE B 66 56.188 65.116 4.868 1.00 0.00 H ATOM 1502 N CYS B 67 57.395 68.554 6.259 1.00 43.76 N ATOM 1503 CA CYS B 67 57.521 69.884 5.655 1.00 38.76 C ATOM 1504 C CYS B 67 56.764 69.957 4.332 1.00 42.68 C ATOM 1505 O CYS B 67 57.273 70.437 3.317 1.00 43.09 O ATOM 1506 CB CYS B 67 58.990 70.269 5.455 1.00 50.84 C ATOM 1507 SG CYS B 67 59.891 70.642 6.969 1.00 58.70 S ATOM 1508 H CYS B 67 57.167 68.487 7.272 1.00 0.00 H ATOM 1509 N GLY B 68 55.528 69.463 4.348 1.00 45.50 N ATOM 1510 CA GLY B 68 54.683 69.482 3.178 1.00 44.02 C ATOM 1511 C GLY B 68 54.909 68.343 2.204 1.00 39.41 C ATOM 1512 O GLY B 68 54.096 68.159 1.291 1.00 40.15 O ATOM 1513 H GLY B 68 55.160 69.051 5.229 1.00 0.00 H ATOM 1514 N HIS B 69 55.987 67.579 2.361 1.00 35.22 N ATOM 1515 CA HIS B 69 56.265 66.452 1.482 1.00 34.73 C ATOM 1516 C HIS B 69 55.644 65.189 2.069 1.00 39.70 C ATOM 1517 O HIS B 69 55.973 64.795 3.193 1.00 37.50 O ATOM 1518 CB HIS B 69 57.770 66.267 1.292 1.00 37.29 C ATOM 1519 CG HIS B 69 58.429 67.390 0.553 1.00 42.75 C ATOM 1520 ND1 HIS B 69 58.569 68.653 1.086 1.00 42.23 N ATOM 1521 CD2 HIS B 69 58.991 67.437 -0.678 1.00 37.66 C ATOM 1522 CE1 HIS B 69 59.190 69.430 0.217 1.00 44.74 C ATOM 1523 NE2 HIS B 69 59.459 68.717 -0.861 1.00 43.66 N ATOM 1524 H HIS B 69 56.650 67.793 3.133 1.00 0.00 H ATOM 1525 N LYS B 70 54.759 64.553 1.308 1.00 34.42 N ATOM 1526 CA LYS B 70 54.095 63.343 1.769 1.00 31.76 C ATOM 1527 C LYS B 70 54.975 62.124 1.521 1.00 31.26 C ATOM 1528 O LYS B 70 55.760 62.080 0.572 1.00 29.95 O ATOM 1529 CB LYS B 70 52.739 63.180 1.077 1.00 32.44 C ATOM 1530 CG LYS B 70 51.712 64.229 1.498 1.00 40.32 C ATOM 1531 CD LYS B 70 50.392 64.093 0.736 1.00 37.00 C ATOM 1532 CE LYS B 70 49.379 65.175 1.128 1.00 46.05 C ATOM 1533 NZ LYS B 70 49.930 66.553 1.012 1.00 59.89 N ATOM 1534 HZ1 LYS B 70 50.755 66.649 1.638 1.00 0.00 H ATOM 1535 HZ2 LYS B 70 50.217 66.728 0.028 1.00 0.00 H ATOM 1536 HZ3 LYS B 70 49.201 67.241 1.290 1.00 0.00 H ATOM 1537 H LYS B 70 54.537 64.928 0.364 1.00 0.00 H ATOM 1538 N ALA B 71 54.849 61.136 2.407 1.00 35.57 N ATOM 1539 CA ALA B 71 55.633 59.910 2.331 1.00 32.59 C ATOM 1540 C ALA B 71 54.888 58.830 3.097 1.00 33.61 C ATOM 1541 O ALA B 71 54.283 59.109 4.133 1.00 37.18 O ATOM 1542 CB ALA B 71 57.041 60.095 2.911 1.00 34.78 C ATOM 1543 H ALA B 71 54.165 61.244 3.183 1.00 0.00 H ATOM 1544 N ILE B 72 54.928 57.606 2.584 1.00 29.90 N ATOM 1545 CA ILE B 72 54.190 56.500 3.175 1.00 31.62 C ATOM 1546 C ILE B 72 55.117 55.298 3.268 1.00 27.57 C ATOM 1547 O ILE B 72 55.751 54.915 2.278 1.00 31.61 O ATOM 1548 CB ILE B 72 52.919 56.170 2.369 1.00 37.61 C ATOM 1549 CG1 ILE B 72 52.158 55.013 3.022 1.00 42.74 C ATOM 1550 CG2 ILE B 72 53.259 55.839 0.923 1.00 39.77 C ATOM 1551 CD1 ILE B 72 50.680 54.991 2.688 1.00 45.38 C ATOM 1552 H ILE B 72 55.503 57.433 1.735 1.00 0.00 H ATOM 1553 N GLY B 73 55.203 54.708 4.452 1.00 27.81 N ATOM 1554 CA GLY B 73 56.111 53.597 4.640 1.00 29.66 C ATOM 1555 C GLY B 73 56.071 53.068 6.053 1.00 19.89 C ATOM 1556 O GLY B 73 55.120 53.308 6.801 1.00 25.63 O ATOM 1557 H GLY B 73 54.619 55.043 5.245 1.00 0.00 H ATOM 1558 N THR B 74 57.119 52.334 6.406 1.00 20.78 N ATOM 1559 CA THR B 74 57.187 51.733 7.728 1.00 31.88 C ATOM 1560 C THR B 74 57.450 52.802 8.781 1.00 27.14 C ATOM 1561 O THR B 74 58.276 53.699 8.591 1.00 25.56 O ATOM 1562 CB THR B 74 58.275 50.659 7.770 1.00 30.23 C ATOM 1563 OG1 THR B 74 57.923 49.596 6.874 1.00 36.26 O ATOM 1564 CG2 THR B 74 58.408 50.081 9.162 1.00 27.29 C ATOM 1565 HG1 THR B 74 57.058 49.204 7.153 1.00 0.00 H ATOM 1566 H THR B 74 57.897 52.188 5.732 1.00 0.00 H ATOM 1567 N VAL B 75 56.733 52.701 9.897 1.00 19.93 N ATOM 1568 CA VAL B 75 56.942 53.563 11.050 1.00 17.47 C ATOM 1569 C VAL B 75 57.003 52.682 12.290 1.00 25.01 C ATOM 1570 O VAL B 75 56.047 51.959 12.598 1.00 23.92 O ATOM 1571 CB VAL B 75 55.840 54.629 11.174 1.00 24.84 C ATOM 1572 CG1 VAL B 75 55.956 55.400 12.479 1.00 25.87 C ATOM 1573 CG2 VAL B 75 55.909 55.576 9.981 1.00 30.03 C ATOM 1574 H VAL B 75 55.991 51.974 9.947 1.00 0.00 H ATOM 1575 N LEU B 76 58.139 52.718 12.973 1.00 16.02 N ATOM 1576 CA LEU B 76 58.323 52.023 14.232 1.00 19.96 C ATOM 1577 C LEU B 76 57.929 52.943 15.374 1.00 23.58 C ATOM 1578 O LEU B 76 58.167 54.154 15.321 1.00 21.43 O ATOM 1579 CB LEU B 76 59.780 51.585 14.386 1.00 18.27 C ATOM 1580 CG LEU B 76 60.404 50.873 13.185 1.00 20.24 C ATOM 1581 CD1 LEU B 76 61.870 50.531 13.471 1.00 22.99 C ATOM 1582 CD2 LEU B 76 59.621 49.624 12.804 1.00 24.91 C ATOM 1583 H LEU B 76 58.933 53.269 12.589 1.00 0.00 H ATOM 1584 N VAL B 77 57.308 52.368 16.399 1.00 19.59 N ATOM 1585 CA VAL B 77 56.863 53.120 17.566 1.00 20.26 C ATOM 1586 C VAL B 77 57.375 52.425 18.817 1.00 24.75 C ATOM 1587 O VAL B 77 57.176 51.217 18.986 1.00 19.49 O ATOM 1588 CB VAL B 77 55.329 53.245 17.607 1.00 25.30 C ATOM 1589 CG1 VAL B 77 54.879 53.996 18.858 1.00 28.83 C ATOM 1590 CG2 VAL B 77 54.821 53.941 16.341 1.00 27.67 C ATOM 1591 H VAL B 77 57.133 51.343 16.367 1.00 0.00 H ATOM 1592 N GLY B 78 58.014 53.190 19.698 1.00 20.51 N ATOM 1593 CA GLY B 78 58.590 52.641 20.901 1.00 20.49 C ATOM 1594 C GLY B 78 59.232 53.704 21.763 1.00 24.90 C ATOM 1595 O GLY B 78 59.145 54.906 21.481 1.00 25.33 O ATOM 1596 H GLY B 78 58.100 54.210 19.515 1.00 0.00 H ATOM 1597 N PRO B 79 59.888 53.278 22.846 1.00 22.49 N ATOM 1598 CA PRO B 79 60.485 54.214 23.816 1.00 24.08 C ATOM 1599 C PRO B 79 61.772 54.855 23.306 1.00 25.97 C ATOM 1600 O PRO B 79 62.848 54.731 23.904 1.00 22.26 O ATOM 1601 CB PRO B 79 60.718 53.311 25.034 1.00 25.32 C ATOM 1602 CG PRO B 79 60.960 51.980 24.459 1.00 24.30 C ATOM 1603 CD PRO B 79 60.057 51.875 23.267 1.00 23.95 C ATOM 1604 N THR B 80 61.664 55.561 22.183 1.00 26.33 N ATOM 1605 CA THR B 80 62.807 56.320 21.704 1.00 22.07 C ATOM 1606 C THR B 80 62.833 57.686 22.384 1.00 20.77 C ATOM 1607 O THR B 80 61.779 58.277 22.638 1.00 22.86 O ATOM 1608 CB THR B 80 62.760 56.501 20.185 1.00 27.87 C ATOM 1609 OG1 THR B 80 63.883 57.287 19.765 1.00 21.61 O ATOM 1610 CG2 THR B 80 61.472 57.200 19.744 1.00 21.73 C ATOM 1611 HG1 THR B 80 63.848 58.173 20.206 1.00 0.00 H ATOM 1612 H THR B 80 60.769 55.569 21.653 1.00 0.00 H ATOM 1613 N PRO B 81 64.015 58.207 22.708 1.00 21.52 N ATOM 1614 CA PRO B 81 64.065 59.532 23.337 1.00 26.95 C ATOM 1615 C PRO B 81 63.682 60.650 22.392 1.00 32.32 C ATOM 1616 O PRO B 81 63.392 61.759 22.858 1.00 31.71 O ATOM 1617 CB PRO B 81 65.525 59.652 23.791 1.00 23.87 C ATOM 1618 CG PRO B 81 66.279 58.748 22.903 1.00 26.61 C ATOM 1619 CD PRO B 81 65.353 57.613 22.563 1.00 25.29 C ATOM 1620 N VAL B 82 63.670 60.397 21.084 1.00 26.11 N ATOM 1621 CA VAL B 82 63.440 61.438 20.093 1.00 26.25 C ATOM 1622 C VAL B 82 62.737 60.820 18.896 1.00 20.94 C ATOM 1623 O VAL B 82 63.026 59.682 18.505 1.00 20.64 O ATOM 1624 CB VAL B 82 64.760 62.107 19.654 1.00 28.97 C ATOM 1625 CG1 VAL B 82 64.464 63.350 18.842 1.00 32.18 C ATOM 1626 CG2 VAL B 82 65.635 62.449 20.856 1.00 31.62 C ATOM 1627 H VAL B 82 63.831 59.422 20.760 1.00 0.00 H ATOM 1628 N ASN B 83 61.814 61.575 18.311 1.00 20.32 N ATOM 1629 CA ASN B 83 61.216 61.164 17.049 1.00 22.36 C ATOM 1630 C ASN B 83 62.279 61.218 15.954 1.00 23.17 C ATOM 1631 O ASN B 83 62.987 62.223 15.811 1.00 18.03 O ATOM 1632 CB ASN B 83 60.035 62.065 16.682 1.00 25.41 C ATOM 1633 CG ASN B 83 58.851 61.930 17.644 1.00 27.97 C ATOM 1634 OD1 ASN B 83 58.461 60.826 18.024 1.00 24.16 O ATOM 1635 ND2 ASN B 83 58.263 63.066 18.019 1.00 22.73 N ATOM 1636 HD22 ASN B 83 58.625 63.978 17.674 1.00 0.00 H ATOM 1637 HD21 ASN B 83 57.442 63.041 18.657 1.00 0.00 H ATOM 1638 H ASN B 83 61.516 62.466 18.758 1.00 0.00 H ATOM 1639 N ILE B 84 62.384 60.140 15.175 1.00 15.55 N ATOM 1640 CA ILE B 84 63.447 59.971 14.189 1.00 16.48 C ATOM 1641 C ILE B 84 62.838 59.631 12.834 1.00 19.60 C ATOM 1642 O ILE B 84 62.182 58.590 12.691 1.00 14.24 O ATOM 1643 CB ILE B 84 64.438 58.881 14.629 1.00 18.07 C ATOM 1644 CG1 ILE B 84 65.193 59.359 15.864 1.00 21.33 C ATOM 1645 CG2 ILE B 84 65.413 58.513 13.493 1.00 20.34 C ATOM 1646 CD1 ILE B 84 65.987 58.301 16.548 1.00 21.78 C ATOM 1647 H ILE B 84 61.676 59.385 15.275 1.00 0.00 H ATOM 1648 N ILE B 85 63.063 60.497 11.839 1.00 15.36 N ATOM 1649 CA ILE B 85 62.743 60.186 10.446 1.00 18.72 C ATOM 1650 C ILE B 85 63.960 59.534 9.797 1.00 18.10 C ATOM 1651 O ILE B 85 65.014 60.166 9.649 1.00 19.97 O ATOM 1652 CB ILE B 85 62.321 61.438 9.659 1.00 13.17 C ATOM 1653 CG1 ILE B 85 61.218 62.213 10.380 1.00 22.78 C ATOM 1654 CG2 ILE B 85 61.859 61.039 8.285 1.00 19.16 C ATOM 1655 CD1 ILE B 85 60.003 61.396 10.737 1.00 29.73 C ATOM 1656 H ILE B 85 63.480 61.423 12.064 1.00 0.00 H ATOM 1657 N GLY B 86 63.801 58.278 9.371 1.00 15.75 N ATOM 1658 CA GLY B 86 64.891 57.491 8.841 1.00 15.33 C ATOM 1659 C GLY B 86 64.887 57.443 7.318 1.00 15.36 C ATOM 1660 O GLY B 86 64.006 57.974 6.655 1.00 15.99 O ATOM 1661 H GLY B 86 62.855 57.849 9.423 1.00 0.00 H ATOM 1662 N ARG B 87 65.903 56.765 6.770 1.00 19.10 N ATOM 1663 CA ARG B 87 66.107 56.771 5.322 1.00 17.23 C ATOM 1664 C ARG B 87 64.898 56.241 4.558 1.00 19.72 C ATOM 1665 O ARG B 87 64.654 56.670 3.422 1.00 22.39 O ATOM 1666 CB ARG B 87 67.346 55.958 4.955 1.00 18.38 C ATOM 1667 CG ARG B 87 68.655 56.582 5.427 1.00 24.17 C ATOM 1668 CD ARG B 87 69.866 55.841 4.889 1.00 22.77 C ATOM 1669 NE ARG B 87 69.953 54.468 5.383 1.00 21.98 N ATOM 1670 CZ ARG B 87 69.608 53.373 4.702 1.00 26.57 C ATOM 1671 NH1 ARG B 87 69.135 53.442 3.464 1.00 21.60 N ATOM 1672 NH2 ARG B 87 69.747 52.187 5.277 1.00 25.14 N ATOM 1673 HE ARG B 87 70.315 54.333 6.349 1.00 0.00 H ATOM 1674 HH12 ARG B 87 68.874 52.572 2.958 1.00 0.00 H ATOM 1675 HH11 ARG B 87 69.025 54.366 3.000 1.00 0.00 H ATOM 1676 HH22 ARG B 87 69.483 51.324 4.760 1.00 0.00 H ATOM 1677 HH21 ARG B 87 70.120 52.119 6.245 1.00 0.00 H ATOM 1678 H ARG B 87 66.553 56.229 7.380 1.00 0.00 H ATOM 1679 N ASN B 88 64.128 55.324 5.154 1.00 19.68 N ATOM 1680 CA ASN B 88 62.987 54.751 4.444 1.00 19.71 C ATOM 1681 C ASN B 88 61.988 55.822 4.032 1.00 23.22 C ATOM 1682 O ASN B 88 61.348 55.697 2.985 1.00 23.26 O ATOM 1683 CB ASN B 88 62.303 53.676 5.297 1.00 19.85 C ATOM 1684 CG ASN B 88 61.527 54.250 6.466 1.00 20.57 C ATOM 1685 OD1 ASN B 88 62.061 55.019 7.271 1.00 21.40 O ATOM 1686 ND2 ASN B 88 60.257 53.874 6.571 1.00 20.09 N ATOM 1687 HD22 ASN B 88 59.847 53.224 5.870 1.00 0.00 H ATOM 1688 HD21 ASN B 88 59.672 54.230 7.354 1.00 0.00 H ATOM 1689 H ASN B 88 64.342 55.018 6.125 1.00 0.00 H ATOM 1690 N LEU B 89 61.844 56.885 4.820 1.00 21.08 N ATOM 1691 CA LEU B 89 60.998 58.001 4.424 1.00 22.61 C ATOM 1692 C LEU B 89 61.788 59.166 3.845 1.00 25.64 C ATOM 1693 O LEU B 89 61.242 59.928 3.040 1.00 24.90 O ATOM 1694 CB LEU B 89 60.170 58.487 5.621 1.00 15.78 C ATOM 1695 CG LEU B 89 59.239 57.430 6.235 1.00 26.61 C ATOM 1696 CD1 LEU B 89 58.439 58.019 7.379 1.00 24.92 C ATOM 1697 CD2 LEU B 89 58.302 56.822 5.201 1.00 22.71 C ATOM 1698 H LEU B 89 62.343 56.919 5.732 1.00 0.00 H ATOM 1699 N LEU B 90 63.063 59.315 4.217 1.00 19.99 N ATOM 1700 CA LEU B 90 63.850 60.428 3.695 1.00 20.19 C ATOM 1701 C LEU B 90 64.024 60.319 2.184 1.00 20.24 C ATOM 1702 O LEU B 90 64.003 61.334 1.476 1.00 24.25 O ATOM 1703 CB LEU B 90 65.212 60.486 4.386 1.00 15.56 C ATOM 1704 CG LEU B 90 65.254 60.834 5.877 1.00 15.01 C ATOM 1705 CD1 LEU B 90 66.683 60.708 6.387 1.00 12.88 C ATOM 1706 CD2 LEU B 90 64.717 62.224 6.128 1.00 16.28 C ATOM 1707 H LEU B 90 63.494 58.638 4.878 1.00 0.00 H ATOM 1708 N THR B 91 64.212 59.098 1.671 1.00 19.88 N ATOM 1709 CA THR B 91 64.282 58.904 0.223 1.00 25.21 C ATOM 1710 C THR B 91 62.995 59.361 -0.453 1.00 31.29 C ATOM 1711 O THR B 91 63.033 59.951 -1.541 1.00 35.71 O ATOM 1712 CB THR B 91 64.556 57.434 -0.114 1.00 22.96 C ATOM 1713 OG1 THR B 91 63.530 56.608 0.451 1.00 27.28 O ATOM 1714 CG2 THR B 91 65.916 56.992 0.410 1.00 28.85 C ATOM 1715 HG1 THR B 91 63.520 56.723 1.434 1.00 0.00 H ATOM 1716 H THR B 91 64.309 58.281 2.307 1.00 0.00 H ATOM 1717 N GLN B 92 61.845 59.115 0.187 1.00 30.60 N ATOM 1718 CA GLN B 92 60.554 59.403 -0.430 1.00 25.70 C ATOM 1719 C GLN B 92 60.275 60.894 -0.548 1.00 36.05 C ATOM 1720 O GLN B 92 59.417 61.285 -1.344 1.00 31.64 O ATOM 1721 CB GLN B 92 59.428 58.750 0.363 1.00 32.88 C ATOM 1722 CG GLN B 92 59.465 57.249 0.361 1.00 26.02 C ATOM 1723 CD GLN B 92 58.204 56.657 0.940 1.00 31.99 C ATOM 1724 OE1 GLN B 92 57.142 57.279 0.915 1.00 30.56 O ATOM 1725 NE2 GLN B 92 58.314 55.451 1.480 1.00 33.26 N ATOM 1726 HE22 GLN B 92 59.232 54.962 1.479 1.00 0.00 H ATOM 1727 HE21 GLN B 92 57.482 54.994 1.905 1.00 0.00 H ATOM 1728 H GLN B 92 61.872 58.710 1.144 1.00 0.00 H ATOM 1729 N ILE B 93 60.915 61.733 0.267 1.00 28.71 N ATOM 1730 CA ILE B 93 60.760 63.176 0.137 1.00 28.62 C ATOM 1731 C ILE B 93 61.883 63.812 -0.684 1.00 23.63 C ATOM 1732 O ILE B 93 61.948 65.037 -0.767 1.00 35.66 O ATOM 1733 CB ILE B 93 60.626 63.845 1.518 1.00 28.36 C ATOM 1734 CG1 ILE B 93 61.914 63.703 2.345 1.00 28.46 C ATOM 1735 CG2 ILE B 93 59.435 63.238 2.265 1.00 25.65 C ATOM 1736 CD1 ILE B 93 61.898 64.495 3.620 1.00 33.23 C ATOM 1737 H ILE B 93 61.536 61.351 1.009 1.00 0.00 H ATOM 1738 N GLY B 94 62.740 63.013 -1.315 1.00 32.96 N ATOM 1739 CA GLY B 94 63.837 63.537 -2.121 1.00 35.83 C ATOM 1740 C GLY B 94 64.914 64.226 -1.313 1.00 37.24 C ATOM 1741 O GLY B 94 65.491 65.220 -1.773 1.00 32.41 O ATOM 1742 H GLY B 94 62.624 61.983 -1.231 1.00 0.00 H ATOM 1743 N CYS B 95 65.223 63.700 -0.133 1.00 30.46 N ATOM 1744 CA CYS B 95 66.215 64.293 0.750 1.00 30.89 C ATOM 1745 C CYS B 95 67.585 63.702 0.448 1.00 30.07 C ATOM 1746 O CYS B 95 67.734 62.479 0.329 1.00 29.09 O ATOM 1747 CB CYS B 95 65.839 64.075 2.220 1.00 33.06 C ATOM 1748 SG CYS B 95 66.995 64.837 3.391 1.00 26.88 S ATOM 1749 H CYS B 95 64.738 62.832 0.171 1.00 0.00 H ATOM 1750 N THR B 96 68.577 64.581 0.309 1.00 27.39 N ATOM 1751 CA THR B 96 69.948 64.196 0.009 1.00 27.20 C ATOM 1752 C THR B 96 70.905 64.872 0.986 1.00 22.54 C ATOM 1753 O THR B 96 70.581 65.886 1.605 1.00 24.55 O ATOM 1754 CB THR B 96 70.325 64.573 -1.436 1.00 32.51 C ATOM 1755 OG1 THR B 96 70.192 65.991 -1.620 1.00 32.19 O ATOM 1756 CG2 THR B 96 69.415 63.846 -2.425 1.00 35.43 C ATOM 1757 HG1 THR B 96 69.255 66.259 -1.445 1.00 0.00 H ATOM 1758 H THR B 96 68.361 65.592 0.420 1.00 0.00 H ATOM 1759 N LEU B 97 72.091 64.281 1.126 1.00 25.86 N ATOM 1760 CA LEU B 97 73.221 64.929 1.779 1.00 30.40 C ATOM 1761 C LEU B 97 74.066 65.616 0.717 1.00 30.97 C ATOM 1762 O LEU B 97 74.180 65.127 -0.409 1.00 34.95 O ATOM 1763 CB LEU B 97 74.080 63.918 2.540 1.00 24.82 C ATOM 1764 CG LEU B 97 73.575 63.401 3.882 1.00 26.83 C ATOM 1765 CD1 LEU B 97 74.451 62.239 4.351 1.00 32.07 C ATOM 1766 CD2 LEU B 97 73.569 64.513 4.914 1.00 29.28 C ATOM 1767 H LEU B 97 72.215 63.318 0.754 1.00 0.00 H ATOM 1768 N ASN B 98 74.655 66.754 1.070 1.00 31.76 N ATOM 1769 CA ASN B 98 75.392 67.539 0.090 1.00 34.51 C ATOM 1770 C ASN B 98 76.583 68.213 0.747 1.00 33.54 C ATOM 1771 O ASN B 98 76.426 68.931 1.740 1.00 29.04 O ATOM 1772 CB ASN B 98 74.482 68.589 -0.557 1.00 33.29 C ATOM 1773 CG ASN B 98 73.272 67.971 -1.238 1.00 36.55 C ATOM 1774 OD1 ASN B 98 72.236 67.743 -0.609 1.00 32.98 O ATOM 1775 ND2 ASN B 98 73.401 67.692 -2.526 1.00 31.48 N ATOM 1776 HD22 ASN B 98 74.294 67.902 -3.017 1.00 0.00 H ATOM 1777 HD21 ASN B 98 72.610 67.263 -3.047 1.00 0.00 H ATOM 1778 H ASN B 98 74.589 67.086 2.053 1.00 0.00 H ATOM 1779 N PHE B 99 77.769 67.978 0.192 1.00 35.60 N ATOM 1780 CA PHE B 99 78.957 68.711 0.607 1.00 43.49 C ATOM 1781 C PHE B 99 80.012 68.727 -0.498 1.00 53.93 C ATOM 1782 O PHE B 99 81.089 69.308 -0.338 1.00 48.72 O ATOM 1783 CB PHE B 99 79.529 68.117 1.896 1.00 33.06 C ATOM 1784 CG PHE B 99 80.023 66.709 1.768 1.00 34.17 C ATOM 1785 CD1 PHE B 99 79.167 65.638 1.956 1.00 38.39 C ATOM 1786 CD2 PHE B 99 81.356 66.454 1.503 1.00 37.28 C ATOM 1787 CE1 PHE B 99 79.630 64.334 1.858 1.00 39.87 C ATOM 1788 CE2 PHE B 99 81.823 65.159 1.400 1.00 42.89 C ATOM 1789 CZ PHE B 99 80.960 64.096 1.580 1.00 38.06 C ATOM 1790 OXT PHE B 99 79.805 68.175 -1.580 1.00 45.47 O ATOM 1791 H PHE B 99 77.849 67.257 -0.553 1.00 0.00 H TER 1792 PHE B 99 HETATM 1793 O HOH 1 71.998 74.759 11.478 1.00 29.39 O HETATM 1794 O HOH 2 56.874 63.298 -1.147 1.00 32.30 O HETATM 1795 O HOH 3 54.090 45.195 10.145 1.00 38.52 O HETATM 1796 O HOH 4 49.188 58.700 22.209 1.00 51.81 O HETATM 1797 O HOH 5 69.708 71.576 11.582 1.00 27.60 O HETATM 1798 O HOH 6 60.822 63.037 24.231 1.00 42.66 O HETATM 1799 O HOH 7 71.666 52.992 9.430 1.00 33.56 O HETATM 1800 O HOH 8 49.510 64.428 4.940 1.00 46.53 O HETATM 1801 O HOH 9 67.937 66.570 -2.865 1.00 31.87 O HETATM 1802 O HOH 10 67.188 71.925 16.373 1.00 26.92 O HETATM 1803 O HOH 11 71.432 54.920 7.630 1.00 24.93 O HETATM 1804 O HOH 12 59.080 52.019 4.608 1.00 24.51 O HETATM 1805 O HOH 13 58.125 40.175 14.740 1.00 29.61 O HETATM 1806 O HOH 14 64.827 65.710 -4.351 1.00 25.63 O HETATM 1807 O HOH 15 67.526 60.148 -1.079 1.00 25.75 O HETATM 1808 O HOH 16 54.894 59.890 23.757 1.00 42.29 O HETATM 1809 O HOH 17 76.220 71.678 1.556 1.00 25.26 O HETATM 1810 O HOH 18 75.319 76.119 2.641 1.00 51.84 O HETATM 1811 O HOH 19 50.246 62.845 7.346 1.00 32.25 O HETATM 1812 O HOH 20 50.926 66.014 18.734 1.00 34.90 O HETATM 1813 O HOH 21 65.851 43.565 13.082 1.00 33.03 O HETATM 1814 O HOH 22 69.845 52.466 11.519 1.00 19.64 O HETATM 1815 O HOH 23 48.993 50.054 8.952 1.00 38.40 O HETATM 1816 O HOH 24 69.714 46.466 25.086 1.00 37.57 O HETATM 1817 O HOH 25 66.144 66.644 20.092 1.00 27.85 O HETATM 1818 O HOH 26 48.940 58.715 9.259 1.00 30.99 O HETATM 1819 O HOH 27 60.859 64.046 19.434 1.00 38.99 O HETATM 1820 O HOH 28 48.873 68.370 16.354 1.00 36.71 O HETATM 1821 O HOH 29 68.993 47.299 14.493 1.00 26.85 O HETATM 1822 O HOH 30 66.090 51.979 4.798 1.00 24.47 O HETATM 1823 O HOH 31 66.818 51.980 2.488 1.00 39.71 O HETATM 1824 O HOH 32 59.830 72.946 13.245 1.00 41.17 O HETATM 1825 O HOH 33 57.281 66.149 19.082 1.00 26.89 O HETATM 1826 O HOH 34 53.449 48.133 23.084 1.00 46.43 O HETATM 1827 O HOH 35 55.558 49.885 4.897 1.00 31.08 O HETATM 1828 O HOH 36 70.351 50.241 13.453 1.00 30.26 O HETATM 1829 O HOH 37 62.518 48.337 25.134 1.00 25.34 O HETATM 1830 O HOH 38 59.010 57.447 23.527 1.00 30.84 O HETATM 1831 O HOH 39 70.938 45.422 23.858 1.00 33.30 O HETATM 1832 O HOH 40 68.260 63.625 23.246 1.00 39.75 O HETATM 1833 O HOH 41 48.678 43.581 15.653 1.00 36.86 O HETATM 1834 O HOH 42 68.729 50.405 2.881 1.00 31.51 O HETATM 1835 O HOH 43 69.947 49.278 4.136 1.00 44.60 O HETATM 1836 O HOH 44 70.014 71.285 18.727 1.00 29.03 O HETATM 1837 O HOH 45 59.903 72.542 10.526 1.00 42.10 O HETATM 1838 O HOH 46 83.040 68.092 -2.530 1.00 64.40 O HETATM 1839 O HOH 47 77.762 72.805 16.082 1.00 34.38 O HETATM 1840 O HOH 48 65.790 46.000 9.450 1.00 38.64 O HETATM 1841 O HOH 49 47.480 52.105 7.167 1.00 43.29 O HETATM 1842 O HOH 50 61.572 47.686 9.494 1.00 36.93 O HETATM 1843 O HOH 51 69.376 66.152 24.434 1.00 37.55 O HETATM 1844 O HOH 52 67.552 72.929 11.788 1.00 28.09 O HETATM 1845 O HOH 53 54.807 73.105 2.725 1.00 48.57 O HETATM 1846 O HOH 54 51.310 44.133 10.450 1.00 38.60 O HETATM 1847 O HOH 55 71.822 46.807 15.289 1.00 33.78 O HETATM 1848 O HOH 56 66.869 68.801 20.438 1.00 38.22 O HETATM 1849 O HOH 57 76.887 77.457 6.327 1.00 33.53 O HETATM 1850 O HOH 58 49.577 46.675 7.926 1.00 46.73 O HETATM 1851 O HOH 59 61.789 43.446 25.534 1.00 35.67 O HETATM 1852 O HOH 60 63.662 66.326 19.872 1.00 30.19 O HETATM 1853 O HOH 61 73.699 56.852 0.545 1.00 24.90 O HETATM 1854 O HOH 62 87.190 70.673 5.308 1.00 41.52 O HETATM 1855 O HOH 63 80.462 46.979 13.792 1.00 34.66 O HETATM 1856 O HOH 64 75.855 72.122 8.055 1.00 24.59 O HETATM 1857 O HOH 65 70.397 57.385 -5.974 1.00 31.65 O HETATM 1858 O HOH 66 94.283 61.651 12.823 1.00 28.15 O HETATM 1859 O HOH 67 65.288 49.552 11.627 1.00 27.84 O HETATM 1860 O HOH 68 85.958 49.896 12.530 1.00 43.81 O HETATM 1861 O HOH 69 83.398 70.810 15.197 1.00 25.31 O HETATM 1862 O HOH 70 89.759 71.837 15.723 1.00 22.92 O HETATM 1863 O HOH 71 77.552 68.570 17.630 1.00 23.48 O HETATM 1864 O HOH 72 92.462 64.670 23.599 1.00 39.39 O HETATM 1865 O HOH 73 66.503 54.013 25.652 1.00 35.63 O HETATM 1866 O HOH 74 85.673 49.700 23.364 1.00 43.90 O HETATM 1867 O HOH 75 77.765 67.444 21.490 1.00 39.21 O HETATM 1868 O HOH 76 75.794 51.855 1.684 1.00 31.98 O HETATM 1869 O HOH 77 81.832 48.251 18.217 1.00 24.27 O HETATM 1870 O HOH 78 71.413 65.684 15.238 1.00 17.64 O HETATM 1871 O HOH 79 71.033 64.376 17.581 1.00 15.83 O HETATM 1872 O HOH 80 76.584 50.333 22.366 1.00 23.01 O HETATM 1873 O HOH 81 73.890 51.544 29.523 1.00 26.13 O HETATM 1874 O HOH 82 77.226 64.490 -6.708 1.00 55.72 O HETATM 1875 O HOH 83 82.505 63.698 18.634 1.00 21.24 O HETATM 1876 O HOH 84 79.408 72.281 1.147 1.00 39.48 O HETATM 1877 O HOH 85 88.169 68.971 19.216 1.00 24.83 O HETATM 1878 O HOH 86 80.542 62.202 30.247 1.00 37.57 O HETATM 1879 O HOH 87 71.356 55.784 -2.259 1.00 26.51 O HETATM 1880 O HOH 88 72.567 68.456 21.365 1.00 37.90 O HETATM 1881 O HOH 89 71.877 55.176 19.020 1.00 17.91 O HETATM 1882 O HOH 90 80.180 51.327 28.499 1.00 36.22 O HETATM 1883 O HOH 91 81.600 50.558 11.647 1.00 25.60 O HETATM 1884 O HOH 92 74.135 70.929 18.616 1.00 35.50 O HETATM 1885 O HOH 93 84.281 48.846 19.530 1.00 29.89 O HETATM 1886 O HOH 94 68.201 49.295 26.384 1.00 33.66 O HETATM 1887 O HOH 95 79.752 72.524 14.697 1.00 31.58 O HETATM 1888 O HOH 96 84.420 68.808 17.382 1.00 23.17 O HETATM 1889 O HOH 97 87.003 52.343 14.325 1.00 38.49 O HETATM 1890 O HOH 98 76.213 70.718 17.474 1.00 35.19 O HETATM 1891 O HOH 99 73.974 58.915 -4.508 1.00 35.39 O HETATM 1892 O HOH 100 79.804 64.858 23.739 1.00 40.84 O HETATM 1893 O HOH 101 77.348 74.210 3.300 1.00 42.89 O HETATM 1894 O HOH 102 72.704 49.992 2.906 1.00 36.63 O HETATM 1895 O HOH 103 76.392 59.617 -4.768 1.00 38.96 O HETATM 1896 O HOH 104 69.782 58.806 25.252 1.00 37.99 O HETATM 1897 O HOH 105 86.063 50.114 8.918 1.00 36.34 O HETATM 1898 O HOH 106 97.800 65.690 3.783 1.00 53.27 O HETATM 1899 O HOH 107 71.378 61.089 24.613 1.00 35.05 O HETATM 1900 O HOH 108 83.878 56.039 30.311 1.00 41.82 O HETATM 1901 O HOH 109 65.508 51.910 0.380 1.00 36.74 O HETATM 1902 O HOH 110 95.605 45.767 15.513 1.00 48.18 O HETATM 1903 O HOH 111 83.856 56.947 -0.154 1.00 38.40 O HETATM 1904 O HOH 112 84.676 68.572 27.000 1.00 44.77 O HETATM 1905 O HOH 113 73.539 70.077 20.302 1.00 37.20 O HETATM 1906 O HOH 114 82.838 53.870 0.843 1.00 43.80 O HETATM 1907 O HOH 115 74.577 48.273 12.534 1.00 39.44 O HETATM 1908 O HOH 116 82.391 66.066 -5.479 1.00 53.37 O HETATM 1909 O HOH 117 89.345 60.189 2.840 1.00 42.90 O HETATM 1910 O HOH 118 89.584 70.035 2.308 1.00 39.77 O HETATM 1911 O HOH 119 71.874 71.009 19.246 1.00 38.87 O HETATM 1912 O HOH 120 81.809 65.684 23.059 1.00 39.45 O HETATM 1913 O HOH 121 67.864 68.524 -4.658 1.00 32.44 O HETATM 1914 O HOH 122 76.031 69.483 20.122 1.00 43.69 O HETATM 1915 O HOH 123 79.154 75.245 6.334 1.00 38.56 O HETATM 1916 O HOH 124 74.665 49.579 2.274 1.00 35.27 O HETATM 1917 O HOH 125 83.773 64.106 33.204 1.00 45.52 O HETATM 1918 O HOH 126 73.205 47.282 13.817 1.00 41.04 O HETATM 1919 O HOH 127 76.290 48.965 5.931 1.00 37.48 O HETATM 1920 O HOH 128 81.893 73.073 16.116 1.00 27.74 O HETATM 1921 N1 A A 60 65.431 51.970 12.508 1.00 -0.34 N HETATM 1922 C2 A A 60 66.377 52.615 13.367 1.00 0.04 C HETATM 1923 C3 A A 60 67.581 51.808 13.910 1.00 -0.04 C HETATM 1924 C4 A A 60 68.585 52.487 14.823 1.00 -0.05 C HETATM 1925 C5 A A 60 68.364 53.960 15.199 1.00 0.09 C HETATM 1926 C6 A A 60 67.175 54.766 14.666 1.00 -0.05 C HETATM 1927 C7 A A 60 66.162 54.079 13.748 1.00 -0.04 C HETATM 1928 H6 A A 60 65.303 54.624 13.373 1.00 0.05 H HETATM 1929 H5 A A 60 67.053 55.809 14.936 1.00 0.06 H HETATM 1930 S8 A A 60 69.560 54.805 16.285 1.00 0.06 S HETATM 1931 O9 A A 60 68.910 55.849 17.050 1.00 -0.15 O HETATM 1932 O10 A A 60 70.127 53.920 17.281 1.00 -0.15 O HETATM 1933 N11 A A 60 70.794 55.389 15.262 1.00 -0.23 N HETATM 1934 C12 A A 60 71.444 54.351 14.457 1.00 0.03 C HETATM 1935 C13 A A 60 73.025 54.544 14.464 1.00 -0.02 C HETATM 1936 C14 A A 60 73.695 53.538 13.467 1.00 -0.05 C HETATM 1937 C20 A A 60 73.498 52.059 13.862 1.00 -0.07 C HETATM 1938 H22 A A 60 73.992 51.413 13.121 1.00 0.02 H HETATM 1939 H23 A A 60 72.423 51.827 13.892 1.00 0.02 H HETATM 1940 H24 A A 60 73.939 51.883 14.854 1.00 0.02 H HETATM 1941 H10 A A 60 74.774 53.748 13.432 1.00 0.03 H HETATM 1942 H11 A A 60 73.259 53.693 12.469 1.00 0.03 H HETATM 1943 C15 A A 60 73.526 54.429 15.915 1.00 -0.05 C HETATM 1944 C18 A A 60 75.064 54.643 16.011 1.00 -0.07 C HETATM 1945 H17 A A 60 75.382 54.553 17.060 1.00 0.02 H HETATM 1946 H18 A A 60 75.319 55.645 15.635 1.00 0.02 H HETATM 1947 H19 A A 60 75.579 53.882 15.406 1.00 0.02 H HETATM 1948 H12 A A 60 73.281 53.428 16.299 1.00 0.03 H HETATM 1949 H13 A A 60 73.021 55.190 16.528 1.00 0.03 H HETATM 1950 H9 A A 60 73.255 55.560 14.110 1.00 0.03 H HETATM 1951 H7 A A 60 71.077 54.413 13.422 1.00 0.05 H HETATM 1952 H8 A A 60 71.199 53.363 14.874 1.00 0.05 H HETATM 1953 C16 A A 60 70.500 56.707 14.617 1.00 0.06 C HETATM 1954 C17 A A 60 71.446 57.797 15.208 1.00 0.09 C HETATM 1955 O18 A A 60 71.324 58.942 14.447 1.00 -0.39 O HETATM 1956 H20 A A 60 71.569 58.752 13.549 1.00 0.21 H HETATM 1957 C19 A A 60 71.062 58.126 16.643 1.00 0.07 C HETATM 1958 N20 A A 60 72.044 59.099 17.139 1.00 -0.26 N HETATM 1959 C21 A A 60 73.115 58.722 18.089 1.00 0.32 C HETATM 1960 O22 A A 60 73.159 57.658 18.616 1.00 -0.38 O HETATM 1961 O23 A A 60 74.066 59.757 18.302 1.00 -0.26 O HETATM 1962 C24 A A 60 74.997 59.595 19.470 1.00 0.12 C HETATM 1963 C25 A A 60 76.141 60.026 19.125 1.00 0.08 C HETATM 1964 O26 A A 60 75.904 61.647 19.062 1.00 -0.35 O HETATM 1965 C27 A A 60 75.170 61.926 20.094 1.00 0.16 C HETATM 1966 O28 A A 60 73.943 62.843 19.712 1.00 -0.35 O HETATM 1967 C29 A A 60 72.892 62.055 19.645 1.00 0.05 C HETATM 1968 C30 A A 60 73.225 60.795 20.624 1.00 -0.02 C HETATM 1969 C31 A A 60 74.562 60.595 20.577 1.00 0.04 C HETATM 1970 H34 A A 60 74.942 60.287 21.562 1.00 0.04 H HETATM 1971 H32 A A 60 72.697 59.896 20.274 1.00 0.03 H HETATM 1972 H33 A A 60 72.914 61.025 21.654 1.00 0.03 H HETATM 1973 H30 A A 60 72.737 61.708 18.613 1.00 0.06 H HETATM 1974 H31 A A 60 71.993 62.584 19.993 1.00 0.06 H HETATM 1975 H29 A A 60 75.778 62.402 20.878 1.00 0.09 H HETATM 1976 H27 A A 60 76.436 59.629 18.143 1.00 0.06 H HETATM 1977 H28 A A 60 76.906 59.765 19.871 1.00 0.06 H HETATM 1978 H26 A A 60 75.025 58.554 19.826 1.00 0.07 H HETATM 1979 H25 A A 60 71.987 60.047 16.825 1.00 0.19 H HETATM 1980 C32 A A 60 69.714 58.799 16.724 1.00 -0.02 C HETATM 1981 C38 A A 60 69.509 59.296 18.180 1.00 -0.04 C HETATM 1982 C33 A A 60 69.560 60.796 18.475 1.00 -0.05 C HETATM 1983 C34 A A 60 69.364 61.294 19.916 1.00 -0.05 C HETATM 1984 C35 A A 60 69.114 60.290 21.068 1.00 -0.05 C HETATM 1985 C36 A A 60 69.071 58.782 20.772 1.00 -0.05 C HETATM 1986 C37 A A 60 69.261 58.280 19.329 1.00 -0.05 C HETATM 1987 H45 A A 60 68.353 57.718 19.066 1.00 0.03 H HETATM 1988 H46 A A 60 70.124 57.597 19.341 1.00 0.03 H HETATM 1989 H43 A A 60 68.089 58.419 21.109 1.00 0.03 H HETATM 1990 H44 A A 60 69.862 58.316 21.378 1.00 0.03 H HETATM 1991 H41 A A 60 68.145 60.554 21.516 1.00 0.03 H HETATM 1992 H42 A A 60 69.914 60.447 21.806 1.00 0.03 H HETATM 1993 H39 A A 60 68.501 61.975 19.899 1.00 0.03 H HETATM 1994 H40 A A 60 70.271 61.858 20.181 1.00 0.03 H HETATM 1995 H37 A A 60 70.547 61.153 18.145 1.00 0.03 H HETATM 1996 H38 A A 60 68.776 61.268 17.864 1.00 0.03 H HETATM 1997 H47 A A 60 68.425 59.364 18.007 1.00 0.03 H HETATM 1998 H35 A A 60 68.923 58.082 16.460 1.00 0.03 H HETATM 1999 H36 A A 60 69.681 59.653 16.031 1.00 0.03 H HETATM 2000 H21 A A 60 71.066 57.211 17.254 1.00 0.06 H HETATM 2001 H16 A A 60 72.485 57.436 15.180 1.00 0.06 H HETATM 2002 H14 A A 60 69.454 56.985 14.811 1.00 0.05 H HETATM 2003 H15 A A 60 70.663 56.629 13.532 1.00 0.05 H HETATM 2004 H4 A A 60 69.442 51.943 15.203 1.00 0.06 H HETATM 2005 H3 A A 60 67.706 50.766 13.640 1.00 0.05 H HETATM 2006 H1 A A 60 65.564 50.983 12.244 1.00 0.17 H HETATM 2007 H2 A A 60 64.617 52.492 12.154 1.00 0.17 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 885 886 891 892 893 CONECT 892 885 CONECT 893 885 CONECT 1921 1922 2006 2007 CONECT 1922 1921 1923 1927 CONECT 1923 1922 1924 2005 CONECT 1924 1923 1925 2004 CONECT 1925 1924 1926 1930 CONECT 1926 1925 1927 1929 CONECT 1927 1922 1926 1928 CONECT 1928 1927 CONECT 1929 1926 CONECT 1930 1925 1931 1932 1933 CONECT 1931 1930 CONECT 1932 1930 CONECT 1933 1930 1934 1953 CONECT 1934 1933 1935 1951 1952 CONECT 1935 1934 1936 1943 1950 CONECT 1936 1935 1937 1941 1942 CONECT 1937 1936 1938 1939 1940 CONECT 1938 1937 CONECT 1939 1937 CONECT 1940 1937 CONECT 1941 1936 CONECT 1942 1936 CONECT 1943 1935 1944 1948 1949 CONECT 1944 1943 1945 1946 1947 CONECT 1945 1944 CONECT 1946 1944 CONECT 1947 1944 CONECT 1948 1943 CONECT 1949 1943 CONECT 1950 1935 CONECT 1951 1934 CONECT 1952 1934 CONECT 1953 1933 1954 2002 2003 CONECT 1954 1953 1955 1957 2001 CONECT 1955 1954 1956 CONECT 1956 1955 CONECT 1957 1954 1958 1980 2000 CONECT 1958 1957 1959 1979 CONECT 1959 1958 1960 1961 CONECT 1960 1959 CONECT 1961 1959 1962 CONECT 1962 1961 1963 1969 1978 CONECT 1963 1962 1964 1976 1977 CONECT 1964 1963 1965 CONECT 1965 1964 1966 1969 1975 CONECT 1966 1965 1967 CONECT 1967 1966 1968 1973 1974 CONECT 1968 1967 1969 1971 1972 CONECT 1969 1962 1965 1968 1970 CONECT 1970 1969 CONECT 1971 1968 CONECT 1972 1968 CONECT 1973 1967 CONECT 1974 1967 CONECT 1975 1965 CONECT 1976 1963 CONECT 1977 1963 CONECT 1978 1962 CONECT 1979 1958 CONECT 1980 1957 1981 1998 1999 CONECT 1981 1980 1982 1986 1997 CONECT 1982 1981 1983 1995 1996 CONECT 1983 1982 1984 1993 1994 CONECT 1984 1983 1985 1991 1992 CONECT 1985 1984 1986 1989 1990 CONECT 1986 1981 1985 1987 1988 CONECT 1987 1986 CONECT 1988 1986 CONECT 1989 1985 CONECT 1990 1985 CONECT 1991 1984 CONECT 1992 1984 CONECT 1993 1983 CONECT 1994 1983 CONECT 1995 1982 CONECT 1996 1982 CONECT 1997 1981 CONECT 1998 1980 CONECT 1999 1980 CONECT 2000 1957 CONECT 2001 1954 CONECT 2002 1953 CONECT 2003 1953 CONECT 2004 1924 CONECT 2005 1923 CONECT 2006 1921 CONECT 2007 1921 MASTER 0 0 0 0 0 0 0 0 2005 2 93 16 END
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Structure:
Ligand 2D
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Protein
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Related entries of code: 6dgz
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%
6dh0
RCSB PDB
PDBbind
99aa, >6DH0_1|Chains... at 90%
6dh1
RCSB PDB
PDBbind
99aa, >6DH1_1|Chains... at 90%
6dh2
RCSB PDB
PDBbind
99aa, >6DH2_1|Chains... at 90%
6dh3
RCSB PDB
PDBbind
99aa, >6DH3_1|Chains... at 90%
6dh4
RCSB PDB
PDBbind
99aa, >6DH4_1|Chains... at 90%
6dh5
RCSB PDB
PDBbind
99aa, >6DH5_1|Chains... at 90%
6dh6
RCSB PDB
PDBbind
99aa, >6DH6_1|Chains... at 90%
6dh7
RCSB PDB
PDBbind
99aa, >6DH7_1|Chains... at 90%
6dh8
RCSB PDB
PDBbind
99aa, >6DH8_1|Chains... at 90%
9hvp
RCSB PDB
PDBbind
99aa, >9HVP_1|Chains... at 90%
6oy2
RCSB PDB
PDBbind
99aa, >6OY2_1|Chains... at 91%
6oy0
RCSB PDB
PDBbind
99aa, >6OY0_1|Chains... at 91%
6oxz
RCSB PDB
PDBbind
99aa, >6OXZ_1|Chains... at 91%
6oxy
RCSB PDB
PDBbind
99aa, >6OXY_1|Chains... at 91%
6oxx
RCSB PDB
PDBbind
99aa, >6OXX_1|Chains... at 91%
6oxw
RCSB PDB
PDBbind
99aa, >6OXW_1|Chains... at 91%
6oxv
RCSB PDB
PDBbind
99aa, >6OXV_1|Chains... at 91%
6oxu
RCSB PDB
PDBbind
99aa, >6OXU_1|Chains... at 91%
6oxt
RCSB PDB
PDBbind
99aa, >6OXT_1|Chains... at 91%
6oxs
RCSB PDB
PDBbind
99aa, >6OXS_1|Chains... at 91%
6oxr
RCSB PDB
PDBbind
99aa, >6OXR_1|Chains... at 91%
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
3o9e
RCSB PDB
PDBbind
A60
6dh2
RCSB PDB
PDBbind
A60
6dh5
RCSB PDB
PDBbind
A60
6dh8
RCSB PDB
PDBbind
A60
Entry Information
PDB ID
6dgz
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
HIV-1 Protease
Ligand Name
A60
EC.Number
E.C.-.-.-.-
Resolution
1.99(Å)
Affinity (Kd/Ki/IC50)
Ki=5pM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) ACS Infect Dis Vol. 5: pp. 316-325
Ligand Properties
Formula
C
2
9
H
4
7
N
3
O
7
S
Molecular Weight
581.764
Exact Mass
581.313
No. of atoms
87
No. of bonds
90
Polar Surface Area
148.8
LOGP Value
4.79 (
Computed with XLOGP3
)
5.94 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 16
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 4
Canonical SMILES
CCC(CN(S(=O)(=O)c1ccc(cc1)N)C[C@H]([C@@H](NC(=O)O[C@H]1CO[C@@H]2[C@H]1CCO2)CC1CCCCC1)O)CC
InChI String
InChI=1S/C29H47N3O7S/c1-3-20(4-2)17-32(40(35,36)23-12-10-22(30)11-13-23)18-26(33)25(16-21-8-6-5-7-9-21)31-29(34)39-27-19-38-28-24(27)14-15-37-28/h10-13,20-21,24-28,33H,3-9,14-19,30H2,1-2H3,(H,31,34)/t24-,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):
Q7ZCR0
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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