Browse entries in the PDBbind-CN Database
HEADER 6DGY_COMPLEX COMPND 6DGY_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 K A 13 78 ATOM 1 N PRO A 1 80.029 65.334 -3.135 1.00 34.33 N ATOM 2 CA PRO A 1 79.052 64.549 -3.895 1.00 32.18 C ATOM 3 C PRO A 1 77.637 64.663 -3.340 1.00 32.88 C ATOM 4 O PRO A 1 77.447 65.171 -2.236 1.00 28.18 O ATOM 5 CB PRO A 1 79.575 63.121 -3.752 1.00 45.25 C ATOM 6 CG PRO A 1 80.260 63.119 -2.430 1.00 34.03 C ATOM 7 CD PRO A 1 80.891 64.478 -2.301 1.00 34.42 C ATOM 8 HN2 PRO A 1 79.520 66.000 -2.520 1.00 0.00 H ATOM 9 HN1 PRO A 1 80.625 65.865 -3.801 1.00 0.00 H ATOM 10 N GLN A 2 76.658 64.206 -4.114 1.00 27.69 N ATOM 11 CA GLN A 2 75.287 64.056 -3.646 1.00 22.71 C ATOM 12 C GLN A 2 75.048 62.586 -3.333 1.00 28.12 C ATOM 13 O GLN A 2 75.325 61.718 -4.167 1.00 30.48 O ATOM 14 CB GLN A 2 74.288 64.554 -4.692 1.00 32.53 C ATOM 15 CG GLN A 2 72.827 64.447 -4.269 1.00 27.43 C ATOM 16 CD GLN A 2 71.911 65.288 -5.139 1.00 33.29 C ATOM 17 OE1 GLN A 2 71.532 66.401 -4.771 1.00 29.98 O ATOM 18 NE2 GLN A 2 71.555 64.761 -6.304 1.00 34.02 N ATOM 19 HE22 GLN A 2 71.899 63.817 -6.575 1.00 0.00 H ATOM 20 HE21 GLN A 2 70.932 65.292 -6.946 1.00 0.00 H ATOM 21 H GLN A 2 76.880 63.944 -5.096 1.00 0.00 H ATOM 22 N ILE A 3 74.554 62.309 -2.130 1.00 21.03 N ATOM 23 CA ILE A 3 74.381 60.947 -1.640 1.00 24.83 C ATOM 24 C ILE A 3 72.895 60.713 -1.418 1.00 26.89 C ATOM 25 O ILE A 3 72.263 61.412 -0.615 1.00 22.97 O ATOM 26 CB ILE A 3 75.175 60.700 -0.348 1.00 24.66 C ATOM 27 CG1 ILE A 3 76.677 60.843 -0.610 1.00 21.15 C ATOM 28 CG2 ILE A 3 74.867 59.314 0.221 1.00 23.11 C ATOM 29 CD1 ILE A 3 77.533 60.852 0.644 1.00 23.43 C ATOM 30 H ILE A 3 74.279 63.099 -1.512 1.00 0.00 H ATOM 31 N THR A 4 72.338 59.741 -2.134 1.00 19.58 N ATOM 32 CA THR A 4 70.979 59.298 -1.881 1.00 18.45 C ATOM 33 C THR A 4 70.974 58.279 -0.743 1.00 16.92 C ATOM 34 O THR A 4 72.016 57.765 -0.326 1.00 20.65 O ATOM 35 CB THR A 4 70.361 58.703 -3.147 1.00 23.74 C ATOM 36 OG1 THR A 4 71.199 57.653 -3.644 1.00 28.23 O ATOM 37 CG2 THR A 4 70.203 59.777 -4.220 1.00 26.46 C ATOM 38 HG1 THR A 4 70.796 57.270 -4.463 1.00 0.00 H ATOM 39 H THR A 4 72.888 59.288 -2.892 1.00 0.00 H ATOM 40 N LEU A 5 69.778 57.982 -0.233 1.00 21.45 N ATOM 41 CA LEU A 5 69.652 57.259 1.027 1.00 18.46 C ATOM 42 C LEU A 5 68.946 55.916 0.877 1.00 20.10 C ATOM 43 O LEU A 5 68.434 55.376 1.863 1.00 16.34 O ATOM 44 CB LEU A 5 68.935 58.135 2.054 1.00 15.67 C ATOM 45 CG LEU A 5 69.685 59.441 2.337 1.00 18.64 C ATOM 46 CD1 LEU A 5 68.827 60.394 3.149 1.00 14.79 C ATOM 47 CD2 LEU A 5 71.000 59.165 3.057 1.00 20.06 C ATOM 48 H LEU A 5 68.919 58.271 -0.743 1.00 0.00 H ATOM 49 N TRP A 6 68.914 55.365 -0.340 1.00 22.37 N ATOM 50 CA TRP A 6 68.395 54.015 -0.534 1.00 19.21 C ATOM 51 C TRP A 6 69.262 52.988 0.178 1.00 17.45 C ATOM 52 O TRP A 6 68.760 51.946 0.611 1.00 19.53 O ATOM 53 CB TRP A 6 68.307 53.694 -2.026 1.00 23.50 C ATOM 54 CG TRP A 6 67.545 54.721 -2.809 1.00 19.96 C ATOM 55 CD1 TRP A 6 68.067 55.695 -3.609 1.00 21.16 C ATOM 56 CD2 TRP A 6 66.123 54.883 -2.855 1.00 19.39 C ATOM 57 NE1 TRP A 6 67.057 56.452 -4.153 1.00 22.77 N ATOM 58 CE2 TRP A 6 65.854 55.973 -3.706 1.00 21.02 C ATOM 59 CE3 TRP A 6 65.051 54.211 -2.260 1.00 23.67 C ATOM 60 CZ2 TRP A 6 64.558 56.406 -3.977 1.00 21.99 C ATOM 61 CZ3 TRP A 6 63.765 54.642 -2.532 1.00 21.50 C ATOM 62 CH2 TRP A 6 63.529 55.727 -3.382 1.00 19.49 C ATOM 63 HE1 TRP A 6 67.185 57.257 -4.799 1.00 0.00 H ATOM 64 H TRP A 6 69.263 55.904 -1.158 1.00 0.00 H ATOM 65 N LYS A 7 70.552 53.269 0.315 1.00 16.85 N ATOM 66 CA LYS A 7 71.484 52.445 1.066 1.00 17.18 C ATOM 67 C LYS A 7 72.046 53.278 2.211 1.00 15.36 C ATOM 68 O LYS A 7 71.915 54.504 2.233 1.00 20.47 O ATOM 69 CB LYS A 7 72.616 51.932 0.168 1.00 22.64 C ATOM 70 H LYS A 7 70.917 54.129 -0.142 1.00 0.00 H ATOM 71 N ARG A 8 72.668 52.608 3.173 1.00 15.91 N ATOM 72 CA ARG A 8 73.322 53.325 4.256 1.00 16.13 C ATOM 73 C ARG A 8 74.386 54.258 3.677 1.00 19.93 C ATOM 74 O ARG A 8 75.180 53.831 2.827 1.00 17.01 O ATOM 75 CB ARG A 8 73.962 52.354 5.248 1.00 20.95 C ATOM 76 CG ARG A 8 72.977 51.656 6.183 1.00 23.40 C ATOM 77 CD ARG A 8 73.674 51.137 7.442 1.00 28.95 C ATOM 78 NE ARG A 8 72.738 50.547 8.400 1.00 35.96 N ATOM 79 CZ ARG A 8 73.074 50.124 9.617 1.00 35.36 C ATOM 80 NH1 ARG A 8 74.326 50.222 10.040 1.00 29.91 N ATOM 81 NH2 ARG A 8 72.157 49.601 10.417 1.00 35.76 N ATOM 82 HE ARG A 8 71.744 50.452 8.111 1.00 0.00 H ATOM 83 HH12 ARG A 8 74.581 49.889 10.992 1.00 0.00 H ATOM 84 HH11 ARG A 8 75.054 50.631 9.420 1.00 0.00 H ATOM 85 HH22 ARG A 8 72.423 49.272 11.367 1.00 0.00 H ATOM 86 HH21 ARG A 8 71.171 49.520 10.095 1.00 0.00 H ATOM 87 H ARG A 8 72.688 51.568 3.152 1.00 0.00 H ATOM 88 N PRO A 9 74.429 55.530 4.087 1.00 16.51 N ATOM 89 CA PRO A 9 75.483 56.446 3.581 1.00 14.77 C ATOM 90 C PRO A 9 76.845 56.179 4.208 1.00 16.17 C ATOM 91 O PRO A 9 77.343 56.915 5.066 1.00 15.25 O ATOM 92 CB PRO A 9 74.922 57.822 3.949 1.00 13.72 C ATOM 93 CG PRO A 9 74.088 57.582 5.147 1.00 14.74 C ATOM 94 CD PRO A 9 73.458 56.234 4.943 1.00 16.35 C ATOM 95 N LEU A 10 77.480 55.096 3.766 1.00 18.44 N ATOM 96 CA LEU A 10 78.791 54.700 4.261 1.00 16.85 C ATOM 97 C LEU A 10 79.888 55.295 3.389 1.00 21.45 C ATOM 98 O LEU A 10 79.783 55.310 2.160 1.00 24.83 O ATOM 99 CB LEU A 10 78.927 53.176 4.289 1.00 26.01 C ATOM 100 CG LEU A 10 78.048 52.443 5.304 1.00 22.90 C ATOM 101 CD1 LEU A 10 78.037 50.955 5.013 1.00 29.83 C ATOM 102 CD2 LEU A 10 78.533 52.700 6.725 1.00 21.46 C ATOM 103 H LEU A 10 77.022 54.510 3.039 1.00 0.00 H ATOM 104 N VAL A 11 80.948 55.780 4.038 1.00 21.19 N ATOM 105 CA VAL A 11 82.076 56.390 3.350 1.00 19.51 C ATOM 106 C VAL A 11 83.365 55.941 4.018 1.00 18.58 C ATOM 107 O VAL A 11 83.381 55.502 5.170 1.00 18.12 O ATOM 108 CB VAL A 11 82.009 57.935 3.344 1.00 21.37 C ATOM 109 CG1 VAL A 11 80.764 58.413 2.618 1.00 20.38 C ATOM 110 CG2 VAL A 11 82.053 58.488 4.767 1.00 23.16 C ATOM 111 H VAL A 11 80.969 55.720 5.076 1.00 0.00 H ATOM 112 N THR A 12 84.457 56.073 3.277 1.00 19.65 N ATOM 113 CA THR A 12 85.778 55.766 3.794 1.00 19.14 C ATOM 114 C THR A 12 86.335 56.991 4.504 1.00 19.35 C ATOM 115 O THR A 12 86.269 58.107 3.979 1.00 25.30 O ATOM 116 CB THR A 12 86.712 55.331 2.663 1.00 31.10 C ATOM 117 OG1 THR A 12 86.130 54.223 1.965 1.00 23.86 O ATOM 118 CG2 THR A 12 88.069 54.917 3.214 1.00 24.46 C ATOM 119 HG1 THR A 12 86.734 53.941 1.233 1.00 0.00 H ATOM 120 H THR A 12 84.364 56.406 2.296 1.00 0.00 H ATOM 121 N ILE A 13 86.870 56.777 5.702 1.00 15.60 N ATOM 122 CA ILE A 13 87.479 57.834 6.494 1.00 19.58 C ATOM 123 C ILE A 13 88.923 57.443 6.772 1.00 23.88 C ATOM 124 O ILE A 13 89.295 56.269 6.710 1.00 21.63 O ATOM 125 CB ILE A 13 86.717 58.088 7.813 1.00 15.67 C ATOM 126 CG1 ILE A 13 86.753 56.848 8.713 1.00 18.88 C ATOM 127 CG2 ILE A 13 85.270 58.484 7.519 1.00 18.86 C ATOM 128 CD1 ILE A 13 86.321 57.109 10.143 1.00 21.13 C ATOM 129 H ILE A 13 86.852 55.812 6.090 1.00 0.00 H ATOM 130 N LYS A 14 89.744 58.444 7.084 1.00 22.91 N ATOM 131 CA LYS A 14 91.124 58.214 7.496 1.00 20.33 C ATOM 132 C LYS A 14 91.352 58.896 8.834 1.00 28.71 C ATOM 133 O LYS A 14 91.117 60.102 8.968 1.00 24.76 O ATOM 134 CB LYS A 14 92.122 58.728 6.455 1.00 26.24 C ATOM 135 CG LYS A 14 93.556 58.338 6.775 1.00 31.36 C ATOM 136 CD LYS A 14 94.523 58.718 5.665 1.00 40.52 C ATOM 137 CE LYS A 14 94.906 60.190 5.720 1.00 58.27 C ATOM 138 NZ LYS A 14 96.270 60.425 5.170 1.00 62.00 N ATOM 139 HZ1 LYS A 14 96.964 59.885 5.725 1.00 0.00 H ATOM 140 HZ2 LYS A 14 96.301 60.115 4.178 1.00 0.00 H ATOM 141 HZ3 LYS A 14 96.495 61.439 5.225 1.00 0.00 H ATOM 142 H LYS A 14 89.390 59.421 7.032 1.00 0.00 H ATOM 143 N ILE A 15 91.798 58.127 9.821 1.00 22.75 N ATOM 144 CA ILE A 15 92.062 58.654 11.154 1.00 26.25 C ATOM 145 C ILE A 15 93.241 57.894 11.739 1.00 30.62 C ATOM 146 O ILE A 15 93.343 56.674 11.590 1.00 33.82 O ATOM 147 CB ILE A 15 90.820 58.547 12.064 1.00 26.68 C ATOM 148 CG1 ILE A 15 91.159 59.063 13.462 1.00 25.97 C ATOM 149 CG2 ILE A 15 90.313 57.108 12.109 1.00 32.37 C ATOM 150 CD1 ILE A 15 89.975 59.185 14.385 1.00 28.98 C ATOM 151 H ILE A 15 91.964 57.117 9.637 1.00 0.00 H ATOM 152 N GLY A 16 94.131 58.622 12.408 1.00 28.39 N ATOM 153 CA GLY A 16 95.335 58.013 12.944 1.00 32.48 C ATOM 154 C GLY A 16 96.156 57.283 11.906 1.00 31.57 C ATOM 155 O GLY A 16 96.904 56.363 12.251 1.00 39.04 O ATOM 156 H GLY A 16 93.962 59.639 12.549 1.00 0.00 H ATOM 157 N GLY A 17 96.029 57.663 10.636 1.00 28.98 N ATOM 158 CA GLY A 17 96.744 57.000 9.564 1.00 29.06 C ATOM 159 C GLY A 17 96.125 55.709 9.087 1.00 34.58 C ATOM 160 O GLY A 17 96.750 55.003 8.288 1.00 35.45 O ATOM 161 H GLY A 17 95.399 58.458 10.407 1.00 0.00 H ATOM 162 N GLN A 18 94.917 55.383 9.539 1.00 31.50 N ATOM 163 CA GLN A 18 94.249 54.133 9.208 1.00 26.46 C ATOM 164 C GLN A 18 92.934 54.425 8.500 1.00 31.93 C ATOM 165 O GLN A 18 92.217 55.364 8.865 1.00 30.00 O ATOM 166 CB GLN A 18 93.992 53.309 10.474 1.00 34.44 C ATOM 167 CG GLN A 18 93.619 51.858 10.220 1.00 41.01 C ATOM 168 CD GLN A 18 93.399 51.087 11.509 1.00 40.35 C ATOM 169 OE1 GLN A 18 92.788 51.593 12.449 1.00 41.37 O ATOM 170 NE2 GLN A 18 93.906 49.862 11.561 1.00 50.84 N ATOM 171 HE22 GLN A 18 94.416 49.475 10.741 1.00 0.00 H ATOM 172 HE21 GLN A 18 93.794 49.289 12.422 1.00 0.00 H ATOM 173 H GLN A 18 94.425 56.056 10.161 1.00 0.00 H ATOM 174 N LEU A 19 92.620 53.619 7.488 1.00 18.98 N ATOM 175 CA LEU A 19 91.361 53.740 6.767 1.00 25.77 C ATOM 176 C LEU A 19 90.276 52.925 7.460 1.00 31.82 C ATOM 177 O LEU A 19 90.538 51.842 7.990 1.00 29.51 O ATOM 178 CB LEU A 19 91.505 53.270 5.318 1.00 34.47 C ATOM 179 CG LEU A 19 92.485 54.005 4.400 1.00 35.54 C ATOM 180 CD1 LEU A 19 92.334 53.490 2.977 1.00 31.66 C ATOM 181 CD2 LEU A 19 92.280 55.512 4.443 1.00 31.64 C ATOM 182 H LEU A 19 93.295 52.880 7.204 1.00 0.00 H ATOM 183 N LYS A 20 89.054 53.453 7.446 1.00 25.40 N ATOM 184 CA LYS A 20 87.904 52.768 8.017 1.00 22.95 C ATOM 185 C LYS A 20 86.653 53.186 7.261 1.00 20.15 C ATOM 186 O LYS A 20 86.645 54.178 6.528 1.00 22.41 O ATOM 187 CB LYS A 20 87.723 53.081 9.506 1.00 18.70 C ATOM 188 CG LYS A 20 88.799 52.526 10.412 1.00 31.58 C ATOM 189 CD LYS A 20 88.689 53.138 11.791 1.00 31.69 C ATOM 190 CE LYS A 20 89.736 52.578 12.723 1.00 34.77 C ATOM 191 NZ LYS A 20 89.320 51.276 13.305 1.00 35.26 N ATOM 192 HZ1 LYS A 20 88.439 51.404 13.843 1.00 0.00 H ATOM 193 HZ2 LYS A 20 89.164 50.590 12.539 1.00 0.00 H ATOM 194 HZ3 LYS A 20 90.067 50.926 13.939 1.00 0.00 H ATOM 195 H LYS A 20 88.916 54.388 7.012 1.00 0.00 H ATOM 196 N GLU A 21 85.592 52.414 7.453 1.00 19.19 N ATOM 197 CA GLU A 21 84.278 52.754 6.937 1.00 18.41 C ATOM 198 C GLU A 21 83.438 53.337 8.065 1.00 17.28 C ATOM 199 O GLU A 21 83.483 52.851 9.199 1.00 16.16 O ATOM 200 CB GLU A 21 83.588 51.524 6.350 1.00 23.42 C ATOM 201 CG GLU A 21 82.364 51.840 5.530 1.00 28.34 C ATOM 202 CD GLU A 21 81.891 50.646 4.736 1.00 33.33 C ATOM 203 OE1 GLU A 21 82.195 50.583 3.527 1.00 30.47 O ATOM 204 OE2 GLU A 21 81.235 49.762 5.325 1.00 32.63 O ATOM 205 H GLU A 21 85.705 51.532 7.993 1.00 0.00 H ATOM 206 N ALA A 22 82.677 54.382 7.748 1.00 18.73 N ATOM 207 CA ALA A 22 81.880 55.086 8.739 1.00 16.86 C ATOM 208 C ALA A 22 80.562 55.519 8.119 1.00 16.21 C ATOM 209 O ALA A 22 80.453 55.694 6.903 1.00 18.84 O ATOM 210 CB ALA A 22 82.614 56.312 9.296 1.00 18.00 C ATOM 211 H ALA A 22 82.652 54.705 6.760 1.00 0.00 H ATOM 212 N LEU A 23 79.563 55.688 8.980 1.00 17.03 N ATOM 213 CA LEU A 23 78.219 56.082 8.586 1.00 14.83 C ATOM 214 C LEU A 23 78.039 57.576 8.819 1.00 13.77 C ATOM 215 O LEU A 23 78.277 58.065 9.930 1.00 14.68 O ATOM 216 CB LEU A 23 77.180 55.299 9.392 1.00 16.73 C ATOM 217 CG LEU A 23 75.697 55.541 9.105 1.00 12.63 C ATOM 218 CD1 LEU A 23 75.320 55.036 7.734 1.00 16.15 C ATOM 219 CD2 LEU A 23 74.850 54.856 10.170 1.00 20.74 C ATOM 220 H LEU A 23 79.753 55.530 9.990 1.00 0.00 H ATOM 221 N LEU A 24 77.628 58.295 7.773 1.00 15.32 N ATOM 222 CA LEU A 24 77.259 59.702 7.900 1.00 15.66 C ATOM 223 C LEU A 24 75.888 59.768 8.561 1.00 14.94 C ATOM 224 O LEU A 24 74.884 59.339 7.981 1.00 17.65 O ATOM 225 CB LEU A 24 77.254 60.386 6.538 1.00 19.14 C ATOM 226 CG LEU A 24 78.558 60.289 5.745 1.00 16.25 C ATOM 227 CD1 LEU A 24 78.415 61.040 4.435 1.00 20.48 C ATOM 228 CD2 LEU A 24 79.735 60.826 6.546 1.00 17.73 C ATOM 229 H LEU A 24 77.569 57.840 6.840 1.00 0.00 H ATOM 230 N ASP A 25 75.845 60.316 9.772 1.00 9.96 N ATOM 231 CA ASP A 25 74.724 60.135 10.694 1.00 12.74 C ATOM 232 C ASP A 25 74.225 61.498 11.168 1.00 11.42 C ATOM 233 O ASP A 25 74.694 62.023 12.181 1.00 11.54 O ATOM 234 CB ASP A 25 75.172 59.263 11.856 1.00 13.86 C ATOM 235 CG ASP A 25 74.034 58.871 12.769 1.00 10.64 C ATOM 236 OD1 ASP A 25 72.923 59.429 12.631 1.00 12.81 O ATOM 237 OD2 ASP A 25 74.266 57.996 13.624 1.00 13.93 O ATOM 238 H ASP A 25 76.648 60.902 10.078 1.00 0.00 H ATOM 239 N THR A 26 73.250 62.062 10.451 1.00 12.55 N ATOM 240 CA THR A 26 72.763 63.387 10.817 1.00 13.35 C ATOM 241 C THR A 26 72.012 63.384 12.144 1.00 13.31 C ATOM 242 O THR A 26 71.799 64.457 12.720 1.00 13.85 O ATOM 243 CB THR A 26 71.874 63.959 9.704 1.00 13.75 C ATOM 244 OG1 THR A 26 70.786 63.069 9.427 1.00 12.42 O ATOM 245 CG2 THR A 26 72.686 64.176 8.433 1.00 13.79 C ATOM 246 HG1 THR A 26 70.242 62.950 10.246 1.00 0.00 H ATOM 247 H THR A 26 72.841 61.560 9.637 1.00 0.00 H ATOM 248 N GLY A 27 71.634 62.215 12.654 1.00 13.59 N ATOM 249 CA GLY A 27 70.999 62.096 13.945 1.00 13.61 C ATOM 250 C GLY A 27 71.945 61.981 15.114 1.00 14.03 C ATOM 251 O GLY A 27 71.493 61.836 16.253 1.00 16.87 O ATOM 252 H GLY A 27 71.803 61.351 12.100 1.00 0.00 H ATOM 253 N ALA A 28 73.250 62.024 14.870 1.00 11.89 N ATOM 254 CA ALA A 28 74.250 61.988 15.927 1.00 13.37 C ATOM 255 C ALA A 28 74.824 63.386 16.123 1.00 12.57 C ATOM 256 O ALA A 28 75.321 63.992 15.167 1.00 12.70 O ATOM 257 CB ALA A 28 75.363 61.001 15.579 1.00 13.28 C ATOM 258 H ALA A 28 73.571 62.086 13.883 1.00 0.00 H ATOM 259 N ASP A 29 74.752 63.898 17.357 1.00 13.39 N ATOM 260 CA ASP A 29 75.447 65.143 17.671 1.00 12.95 C ATOM 261 C ASP A 29 76.950 64.962 17.530 1.00 15.41 C ATOM 262 O ASP A 29 77.655 65.861 17.054 1.00 15.95 O ATOM 263 CB ASP A 29 75.134 65.610 19.096 1.00 12.50 C ATOM 264 CG ASP A 29 73.652 65.786 19.362 1.00 17.57 C ATOM 265 OD1 ASP A 29 72.865 65.929 18.405 1.00 16.36 O ATOM 266 OD2 ASP A 29 73.279 65.793 20.554 1.00 19.19 O ATOM 267 H ASP A 29 74.201 63.410 18.092 1.00 0.00 H ATOM 268 N ASP A 30 77.451 63.799 17.935 1.00 14.35 N ATOM 269 CA ASP A 30 78.872 63.550 18.080 1.00 13.21 C ATOM 270 C ASP A 30 79.293 62.384 17.199 1.00 14.51 C ATOM 271 O ASP A 30 78.469 61.601 16.717 1.00 14.30 O ATOM 272 CB ASP A 30 79.227 63.248 19.543 1.00 16.01 C ATOM 273 CG ASP A 30 78.756 64.328 20.492 1.00 20.95 C ATOM 274 OD1 ASP A 30 79.069 65.511 20.248 1.00 23.12 O ATOM 275 OD2 ASP A 30 78.060 63.993 21.474 1.00 30.39 O ATOM 276 H ASP A 30 76.790 63.028 18.159 1.00 0.00 H ATOM 277 N THR A 31 80.600 62.286 17.000 1.00 16.29 N ATOM 278 CA THR A 31 81.212 61.230 16.210 1.00 14.66 C ATOM 279 C THR A 31 81.714 60.148 17.157 1.00 17.60 C ATOM 280 O THR A 31 82.470 60.435 18.090 1.00 17.07 O ATOM 281 CB THR A 31 82.358 61.799 15.366 1.00 16.55 C ATOM 282 OG1 THR A 31 81.827 62.713 14.402 1.00 15.73 O ATOM 283 CG2 THR A 31 83.132 60.703 14.646 1.00 17.69 C ATOM 284 HG1 THR A 31 81.361 63.451 14.870 1.00 0.00 H ATOM 285 H THR A 31 81.220 63.001 17.431 1.00 0.00 H ATOM 286 N VAL A 32 81.280 58.911 16.926 1.00 18.05 N ATOM 287 CA VAL A 32 81.634 57.790 17.786 1.00 14.82 C ATOM 288 C VAL A 32 82.178 56.670 16.912 1.00 16.85 C ATOM 289 O VAL A 32 81.511 56.236 15.967 1.00 14.69 O ATOM 290 CB VAL A 32 80.433 57.297 18.615 1.00 13.25 C ATOM 291 CG1 VAL A 32 80.903 56.371 19.727 1.00 14.69 C ATOM 292 CG2 VAL A 32 79.661 58.476 19.188 1.00 20.68 C ATOM 293 H VAL A 32 80.667 58.739 16.103 1.00 0.00 H ATOM 294 N LEU A 33 83.383 56.208 17.230 1.00 12.43 N ATOM 295 CA LEU A 33 84.061 55.171 16.471 1.00 11.16 C ATOM 296 C LEU A 33 84.266 53.936 17.333 1.00 17.90 C ATOM 297 O LEU A 33 84.332 54.017 18.564 1.00 15.59 O ATOM 298 CB LEU A 33 85.418 55.651 15.961 1.00 19.08 C ATOM 299 CG LEU A 33 85.419 56.907 15.101 1.00 17.29 C ATOM 300 CD1 LEU A 33 86.845 57.236 14.701 1.00 28.53 C ATOM 301 CD2 LEU A 33 84.537 56.737 13.871 1.00 18.46 C ATOM 302 H LEU A 33 83.863 56.608 18.061 1.00 0.00 H ATOM 303 N GLU A 34 84.374 52.791 16.667 1.00 22.24 N ATOM 304 CA GLU A 34 84.604 51.536 17.357 1.00 19.09 C ATOM 305 C GLU A 34 85.986 51.540 18.008 1.00 17.94 C ATOM 306 O GLU A 34 86.833 52.399 17.742 1.00 18.31 O ATOM 307 CB GLU A 34 84.456 50.363 16.388 1.00 21.28 C ATOM 308 CG GLU A 34 83.046 50.211 15.827 1.00 21.50 C ATOM 309 CD GLU A 34 82.914 49.040 14.870 1.00 27.26 C ATOM 310 OE1 GLU A 34 83.497 49.103 13.768 1.00 34.14 O ATOM 311 OE2 GLU A 34 82.235 48.051 15.226 1.00 39.95 O ATOM 312 H GLU A 34 84.292 52.795 15.630 1.00 0.00 H ATOM 313 N GLU A 35 86.203 50.563 18.881 1.00 21.37 N ATOM 314 CA GLU A 35 87.430 50.506 19.664 1.00 25.75 C ATOM 315 C GLU A 35 88.654 50.563 18.760 1.00 22.56 C ATOM 316 O GLU A 35 88.742 49.840 17.767 1.00 22.68 O ATOM 317 CB GLU A 35 87.454 49.228 20.503 1.00 32.90 C ATOM 318 CG GLU A 35 88.469 49.260 21.625 1.00 41.77 C ATOM 319 CD GLU A 35 88.160 50.338 22.641 1.00 48.51 C ATOM 320 OE1 GLU A 35 86.963 50.562 22.931 1.00 39.24 O ATOM 321 OE2 GLU A 35 89.114 50.970 23.138 1.00 55.11 O ATOM 322 H GLU A 35 85.483 49.824 19.008 1.00 0.00 H ATOM 323 N MET A 36 89.599 51.431 19.115 1.00 29.28 N ATOM 324 CA MET A 36 90.821 51.599 18.339 1.00 34.88 C ATOM 325 C MET A 36 91.846 52.333 19.191 1.00 34.79 C ATOM 326 O MET A 36 91.508 52.960 20.198 1.00 27.76 O ATOM 327 CB MET A 36 90.562 52.373 17.041 1.00 34.79 C ATOM 328 CG MET A 36 90.281 53.864 17.247 1.00 33.30 C ATOM 329 SD MET A 36 90.063 54.780 15.711 1.00 35.23 S ATOM 330 CE MET A 36 91.661 54.542 14.936 1.00 38.33 C ATOM 331 H MET A 36 89.461 52.006 19.971 1.00 0.00 H ATOM 332 N ASN A 37 93.105 52.254 18.766 1.00 40.54 N ATOM 333 CA ASN A 37 94.186 52.979 19.423 1.00 45.89 C ATOM 334 C ASN A 37 94.403 54.317 18.730 1.00 45.83 C ATOM 335 O ASN A 37 94.595 54.370 17.510 1.00 39.86 O ATOM 336 CB ASN A 37 95.484 52.169 19.408 1.00 50.88 C ATOM 337 CG ASN A 37 95.408 50.927 20.271 1.00 47.13 C ATOM 338 OD1 ASN A 37 95.531 50.998 21.494 1.00 48.34 O ATOM 339 ND2 ASN A 37 95.213 49.777 19.637 1.00 49.18 N ATOM 340 HD22 ASN A 37 95.114 49.764 18.602 1.00 0.00 H ATOM 341 HD21 ASN A 37 95.159 48.889 20.176 1.00 0.00 H ATOM 342 H ASN A 37 93.324 51.658 17.942 1.00 0.00 H ATOM 343 N LEU A 38 94.367 55.393 19.513 1.00 39.39 N ATOM 344 CA LEU A 38 94.686 56.724 19.029 1.00 46.81 C ATOM 345 C LEU A 38 95.751 57.338 19.925 1.00 41.07 C ATOM 346 O LEU A 38 95.685 57.195 21.152 1.00 46.17 O ATOM 347 CB LEU A 38 93.445 57.629 19.009 1.00 40.80 C ATOM 348 CG LEU A 38 92.525 57.533 17.790 1.00 41.86 C ATOM 349 CD1 LEU A 38 91.292 58.408 17.984 1.00 33.57 C ATOM 350 CD2 LEU A 38 93.255 57.932 16.519 1.00 42.87 C ATOM 351 H LEU A 38 94.100 55.275 20.511 1.00 0.00 H ATOM 352 N PRO A 39 96.743 58.015 19.355 1.00 49.69 N ATOM 353 CA PRO A 39 97.765 58.661 20.181 1.00 49.19 C ATOM 354 C PRO A 39 97.246 59.939 20.824 1.00 47.87 C ATOM 355 O PRO A 39 96.305 60.576 20.350 1.00 46.96 O ATOM 356 CB PRO A 39 98.887 58.964 19.183 1.00 51.64 C ATOM 357 CG PRO A 39 98.182 59.139 17.886 1.00 54.43 C ATOM 358 CD PRO A 39 97.001 58.205 17.915 1.00 40.70 C ATOM 359 N GLY A 40 97.887 60.300 21.930 1.00 57.66 N ATOM 360 CA GLY A 40 97.589 61.530 22.630 1.00 57.77 C ATOM 361 C GLY A 40 96.630 61.323 23.789 1.00 41.86 C ATOM 362 O GLY A 40 96.022 60.265 23.968 1.00 45.34 O ATOM 363 H GLY A 40 98.629 59.676 22.306 1.00 0.00 H ATOM 364 N ARG A 41 96.495 62.381 24.584 1.00 50.55 N ATOM 365 CA ARG A 41 95.688 62.321 25.793 1.00 45.21 C ATOM 366 C ARG A 41 94.219 62.091 25.455 1.00 51.57 C ATOM 367 O ARG A 41 93.747 62.417 24.363 1.00 43.43 O ATOM 368 CB ARG A 41 95.843 63.616 26.594 1.00 47.27 C ATOM 369 H ARG A 41 96.976 63.269 24.336 1.00 0.00 H ATOM 370 N TRP A 42 93.497 61.515 26.413 1.00 55.85 N ATOM 371 CA TRP A 42 92.063 61.301 26.281 1.00 44.78 C ATOM 372 C TRP A 42 91.435 61.376 27.663 1.00 46.02 C ATOM 373 O TRP A 42 92.115 61.225 28.681 1.00 52.68 O ATOM 374 CB TRP A 42 91.747 59.954 25.618 1.00 41.92 C ATOM 375 CG TRP A 42 92.306 58.747 26.331 1.00 40.56 C ATOM 376 CD1 TRP A 42 93.406 58.021 25.974 1.00 35.28 C ATOM 377 CD2 TRP A 42 91.784 58.124 27.512 1.00 37.64 C ATOM 378 NE1 TRP A 42 93.601 56.988 26.855 1.00 39.63 N ATOM 379 CE2 TRP A 42 92.619 57.027 27.809 1.00 45.03 C ATOM 380 CE3 TRP A 42 90.692 58.385 28.346 1.00 41.61 C ATOM 381 CZ2 TRP A 42 92.397 56.195 28.903 1.00 42.69 C ATOM 382 CZ3 TRP A 42 90.471 57.552 29.431 1.00 50.72 C ATOM 383 CH2 TRP A 42 91.321 56.473 29.701 1.00 44.29 C ATOM 384 HE1 TRP A 42 94.369 56.289 26.807 1.00 0.00 H ATOM 385 H TRP A 42 93.973 61.207 27.285 1.00 0.00 H ATOM 386 N LYS A 43 90.126 61.614 27.692 1.00 35.77 N ATOM 387 CA LYS A 43 89.412 61.676 28.955 1.00 31.95 C ATOM 388 C LYS A 43 88.148 60.832 28.889 1.00 30.00 C ATOM 389 O LYS A 43 87.526 60.719 27.828 1.00 24.94 O ATOM 390 CB LYS A 43 89.053 63.124 29.329 1.00 38.81 C ATOM 391 CG LYS A 43 88.160 63.855 28.340 1.00 38.20 C ATOM 392 CD LYS A 43 87.678 65.177 28.926 1.00 48.45 C ATOM 393 CE LYS A 43 87.796 66.322 27.931 1.00 54.14 C ATOM 394 NZ LYS A 43 86.796 67.398 28.191 1.00 53.44 N ATOM 395 HZ1 LYS A 43 85.837 67.003 28.118 1.00 0.00 H ATOM 396 HZ2 LYS A 43 86.943 67.782 29.146 1.00 0.00 H ATOM 397 HZ3 LYS A 43 86.914 68.156 27.489 1.00 0.00 H ATOM 398 H LYS A 43 89.609 61.757 26.801 1.00 0.00 H ATOM 399 N PRO A 44 87.744 60.225 30.007 1.00 33.91 N ATOM 400 CA PRO A 44 86.552 59.370 29.987 1.00 34.56 C ATOM 401 C PRO A 44 85.272 60.188 29.973 1.00 35.31 C ATOM 402 O PRO A 44 85.140 61.180 30.693 1.00 28.90 O ATOM 403 CB PRO A 44 86.669 58.561 31.288 1.00 37.22 C ATOM 404 CG PRO A 44 87.990 58.944 31.906 1.00 35.30 C ATOM 405 CD PRO A 44 88.350 60.266 31.348 1.00 33.10 C ATOM 406 N LYS A 45 84.318 59.749 29.152 1.00 26.15 N ATOM 407 CA LYS A 45 83.026 60.412 29.040 1.00 26.05 C ATOM 408 C LYS A 45 81.932 59.367 28.868 1.00 24.35 C ATOM 409 O LYS A 45 82.197 58.182 28.654 1.00 24.06 O ATOM 410 CB LYS A 45 83.001 61.402 27.870 1.00 27.57 C ATOM 411 H LYS A 45 84.502 58.905 28.572 1.00 0.00 H ATOM 412 N MET A 46 80.689 59.829 28.966 1.00 19.95 N ATOM 413 CA MET A 46 79.507 59.008 28.752 1.00 25.92 C ATOM 414 C MET A 46 78.686 59.605 27.618 1.00 26.25 C ATOM 415 O MET A 46 78.596 60.830 27.493 1.00 25.87 O ATOM 416 CB MET A 46 78.653 58.942 30.022 1.00 26.79 C ATOM 417 CG MET A 46 79.389 58.450 31.259 1.00 36.98 C ATOM 418 SD MET A 46 79.734 56.685 31.227 1.00 36.25 S ATOM 419 CE MET A 46 78.074 56.015 31.169 1.00 29.14 C ATOM 420 H MET A 46 80.554 60.831 29.209 1.00 0.00 H ATOM 421 N ILE A 47 78.083 58.746 26.795 1.00 23.94 N ATOM 422 CA ILE A 47 77.168 59.191 25.745 1.00 25.56 C ATOM 423 C ILE A 47 75.967 58.258 25.696 1.00 19.22 C ATOM 424 O ILE A 47 76.102 57.043 25.873 1.00 21.29 O ATOM 425 CB ILE A 47 77.850 59.256 24.363 1.00 26.27 C ATOM 426 CG1 ILE A 47 78.514 57.918 24.022 1.00 23.41 C ATOM 427 CG2 ILE A 47 78.846 60.396 24.325 1.00 41.74 C ATOM 428 CD1 ILE A 47 78.995 57.823 22.589 1.00 42.94 C ATOM 429 H ILE A 47 78.269 57.729 26.903 1.00 0.00 H ATOM 430 N GLY A 48 74.796 58.828 25.437 1.00 17.93 N ATOM 431 CA GLY A 48 73.550 58.076 25.368 1.00 22.90 C ATOM 432 C GLY A 48 73.058 57.960 23.940 1.00 21.23 C ATOM 433 O GLY A 48 73.132 58.919 23.165 1.00 25.97 O ATOM 434 H GLY A 48 74.767 59.855 25.277 1.00 0.00 H ATOM 435 N GLY A 49 72.558 56.777 23.598 1.00 18.28 N ATOM 436 CA GLY A 49 71.912 56.543 22.324 1.00 20.16 C ATOM 437 C GLY A 49 70.496 56.039 22.518 1.00 24.14 C ATOM 438 O GLY A 49 69.878 56.306 23.553 1.00 19.00 O ATOM 439 H GLY A 49 72.634 55.989 24.272 1.00 0.00 H ATOM 440 N ILE A 50 69.971 55.296 21.541 1.00 17.67 N ATOM 441 CA ILE A 50 68.584 54.852 21.629 1.00 18.80 C ATOM 442 C ILE A 50 68.411 53.811 22.725 1.00 17.50 C ATOM 443 O ILE A 50 67.324 53.685 23.301 1.00 21.63 O ATOM 444 CB ILE A 50 68.094 54.316 20.270 1.00 20.44 C ATOM 445 CG1 ILE A 50 66.566 54.374 20.219 1.00 26.08 C ATOM 446 CG2 ILE A 50 68.596 52.885 20.022 1.00 22.18 C ATOM 447 CD1 ILE A 50 65.974 54.058 18.865 1.00 26.92 C ATOM 448 H ILE A 50 70.550 55.034 20.718 1.00 0.00 H ATOM 449 N GLY A 51 69.460 53.053 23.033 1.00 18.98 N ATOM 450 CA GLY A 51 69.341 51.947 23.963 1.00 19.72 C ATOM 451 C GLY A 51 69.927 52.192 25.339 1.00 22.60 C ATOM 452 O GLY A 51 69.857 51.314 26.202 1.00 22.76 O ATOM 453 H GLY A 51 70.383 53.258 22.599 1.00 0.00 H ATOM 454 N GLY A 52 70.503 53.364 25.563 1.00 20.80 N ATOM 455 CA GLY A 52 71.078 53.692 26.846 1.00 23.72 C ATOM 456 C GLY A 52 72.401 54.401 26.669 1.00 18.23 C ATOM 457 O GLY A 52 72.681 54.968 25.616 1.00 17.41 O ATOM 458 H GLY A 52 70.542 54.065 24.796 1.00 0.00 H ATOM 459 N PHE A 53 73.220 54.354 27.715 1.00 20.47 N ATOM 460 CA PHE A 53 74.472 55.093 27.772 1.00 21.89 C ATOM 461 C PHE A 53 75.656 54.137 27.773 1.00 19.22 C ATOM 462 O PHE A 53 75.584 53.046 28.345 1.00 20.93 O ATOM 463 CB PHE A 53 74.514 55.982 29.016 1.00 20.77 C ATOM 464 CG PHE A 53 73.553 57.127 28.960 1.00 23.39 C ATOM 465 CD1 PHE A 53 72.188 56.909 29.049 1.00 21.50 C ATOM 466 CD2 PHE A 53 74.011 58.421 28.806 1.00 24.68 C ATOM 467 CE1 PHE A 53 71.300 57.962 28.985 1.00 27.66 C ATOM 468 CE2 PHE A 53 73.124 59.478 28.747 1.00 22.22 C ATOM 469 CZ PHE A 53 71.766 59.246 28.836 1.00 32.17 C ATOM 470 H PHE A 53 72.954 53.763 28.528 1.00 0.00 H ATOM 471 N ILE A 54 76.744 54.553 27.122 1.00 20.82 N ATOM 472 CA ILE A 54 77.979 53.782 27.086 1.00 18.42 C ATOM 473 C ILE A 54 79.127 54.656 27.572 1.00 23.27 C ATOM 474 O ILE A 54 79.065 55.886 27.538 1.00 21.38 O ATOM 475 CB ILE A 54 78.294 53.229 25.675 1.00 16.79 C ATOM 476 CG1 ILE A 54 78.420 54.362 24.652 1.00 19.29 C ATOM 477 CG2 ILE A 54 77.221 52.233 25.250 1.00 20.88 C ATOM 478 CD1 ILE A 54 78.935 53.910 23.295 1.00 22.38 C ATOM 479 H ILE A 54 76.709 55.464 26.621 1.00 0.00 H ATOM 480 N LYS A 55 80.185 53.994 28.033 1.00 23.85 N ATOM 481 CA LYS A 55 81.427 54.661 28.394 1.00 26.51 C ATOM 482 C LYS A 55 82.297 54.774 27.151 1.00 21.73 C ATOM 483 O LYS A 55 82.458 53.799 26.411 1.00 22.04 O ATOM 484 CB LYS A 55 82.161 53.885 29.491 1.00 19.27 C ATOM 485 H LYS A 55 80.122 52.961 28.139 1.00 0.00 H ATOM 486 N VAL A 56 82.847 55.965 26.915 1.00 18.86 N ATOM 487 CA VAL A 56 83.682 56.218 25.748 1.00 18.48 C ATOM 488 C VAL A 56 84.907 57.018 26.164 1.00 28.25 C ATOM 489 O VAL A 56 84.963 57.610 27.244 1.00 25.37 O ATOM 490 CB VAL A 56 82.927 56.965 24.628 1.00 25.98 C ATOM 491 CG1 VAL A 56 81.755 56.146 24.149 1.00 23.85 C ATOM 492 CG2 VAL A 56 82.473 58.347 25.101 1.00 21.75 C ATOM 493 H VAL A 56 82.674 56.740 27.587 1.00 0.00 H ATOM 494 N ARG A 57 85.885 57.038 25.266 1.00 24.19 N ATOM 495 CA ARG A 57 87.107 57.812 25.411 1.00 26.00 C ATOM 496 C ARG A 57 87.028 59.001 24.466 1.00 22.18 C ATOM 497 O ARG A 57 86.838 58.825 23.259 1.00 23.93 O ATOM 498 CB ARG A 57 88.325 56.941 25.106 1.00 33.75 C ATOM 499 CG ARG A 57 88.925 56.296 26.334 1.00 42.21 C ATOM 500 CD ARG A 57 89.514 54.922 26.066 1.00 44.55 C ATOM 501 NE ARG A 57 90.441 54.917 24.936 1.00 46.72 N ATOM 502 CZ ARG A 57 90.364 54.109 23.880 1.00 56.39 C ATOM 503 NH1 ARG A 57 91.268 54.201 22.914 1.00 54.09 N ATOM 504 NH2 ARG A 57 89.405 53.200 23.785 1.00 52.87 N ATOM 505 HE ARG A 57 91.225 55.600 24.958 1.00 0.00 H ATOM 506 HH12 ARG A 57 91.212 53.572 22.088 1.00 0.00 H ATOM 507 HH11 ARG A 57 92.033 54.902 22.983 1.00 0.00 H ATOM 508 HH22 ARG A 57 89.360 52.577 22.953 1.00 0.00 H ATOM 509 HH21 ARG A 57 88.698 53.109 24.542 1.00 0.00 H ATOM 510 H ARG A 57 85.770 56.465 24.406 1.00 0.00 H ATOM 511 N GLN A 58 87.159 60.205 25.013 1.00 21.94 N ATOM 512 CA GLN A 58 87.022 61.428 24.234 1.00 20.27 C ATOM 513 C GLN A 58 88.398 61.907 23.791 1.00 26.31 C ATOM 514 O GLN A 58 89.267 62.173 24.628 1.00 24.62 O ATOM 515 CB GLN A 58 86.311 62.511 25.040 1.00 20.71 C ATOM 516 CG GLN A 58 86.139 63.807 24.278 1.00 24.49 C ATOM 517 CD GLN A 58 85.294 64.812 25.025 1.00 21.89 C ATOM 518 OE1 GLN A 58 84.501 64.450 25.892 1.00 31.15 O ATOM 519 NE2 GLN A 58 85.462 66.085 24.693 1.00 29.11 N ATOM 520 HE22 GLN A 58 86.145 66.344 23.953 1.00 0.00 H ATOM 521 HE21 GLN A 58 84.911 66.825 25.173 1.00 0.00 H ATOM 522 H GLN A 58 87.366 60.276 26.030 1.00 0.00 H ATOM 523 N TYR A 59 88.589 62.010 22.479 1.00 21.97 N ATOM 524 CA TYR A 59 89.794 62.570 21.884 1.00 25.01 C ATOM 525 C TYR A 59 89.446 63.900 21.234 1.00 24.22 C ATOM 526 O TYR A 59 88.508 63.976 20.436 1.00 24.89 O ATOM 527 CB TYR A 59 90.389 61.623 20.843 1.00 25.02 C ATOM 528 CG TYR A 59 90.881 60.317 21.408 1.00 28.43 C ATOM 529 CD1 TYR A 59 90.004 59.273 21.665 1.00 29.32 C ATOM 530 CD2 TYR A 59 92.228 60.125 21.680 1.00 33.85 C ATOM 531 CE1 TYR A 59 90.453 58.078 22.182 1.00 29.62 C ATOM 532 CE2 TYR A 59 92.687 58.932 22.195 1.00 31.18 C ATOM 533 CZ TYR A 59 91.796 57.912 22.444 1.00 35.89 C ATOM 534 OH TYR A 59 92.251 56.721 22.957 1.00 36.64 O ATOM 535 HH TYR A 59 91.488 56.101 23.075 1.00 0.00 H ATOM 536 H TYR A 59 87.838 61.673 21.844 1.00 0.00 H ATOM 537 N ASP A 60 90.199 64.938 21.570 1.00 30.95 N ATOM 538 CA ASP A 60 89.941 66.274 21.056 1.00 26.28 C ATOM 539 C ASP A 60 90.940 66.639 19.966 1.00 26.91 C ATOM 540 O ASP A 60 92.071 66.148 19.940 1.00 27.16 O ATOM 541 CB ASP A 60 90.000 67.304 22.183 1.00 26.79 C ATOM 542 CG ASP A 60 88.825 67.192 23.132 1.00 33.20 C ATOM 543 OD1 ASP A 60 87.724 66.828 22.668 1.00 30.02 O ATOM 544 OD2 ASP A 60 89.000 67.468 24.337 1.00 44.15 O ATOM 545 H ASP A 60 90.998 64.793 22.220 1.00 0.00 H ATOM 546 N GLN A 61 90.495 67.505 19.056 1.00 25.82 N ATOM 547 CA GLN A 61 91.330 68.047 17.984 1.00 23.65 C ATOM 548 C GLN A 61 92.036 66.940 17.199 1.00 29.29 C ATOM 549 O GLN A 61 93.233 67.012 16.910 1.00 25.97 O ATOM 550 CB GLN A 61 92.336 69.051 18.550 1.00 29.45 C ATOM 551 CG GLN A 61 92.091 70.476 18.096 1.00 25.70 C ATOM 552 CD GLN A 61 92.994 71.470 18.797 1.00 27.45 C ATOM 553 OE1 GLN A 61 92.729 71.873 19.927 1.00 30.19 O ATOM 554 NE2 GLN A 61 94.068 71.868 18.128 1.00 27.10 N ATOM 555 HE22 GLN A 61 94.252 71.500 17.173 1.00 0.00 H ATOM 556 HE21 GLN A 61 94.726 72.548 18.558 1.00 0.00 H ATOM 557 H GLN A 61 89.503 67.811 19.111 1.00 0.00 H ATOM 558 N ILE A 62 91.272 65.914 16.827 1.00 23.59 N ATOM 559 CA ILE A 62 91.795 64.789 16.059 1.00 24.02 C ATOM 560 C ILE A 62 91.608 65.069 14.577 1.00 20.86 C ATOM 561 O ILE A 62 90.514 65.443 14.137 1.00 22.53 O ATOM 562 CB ILE A 62 91.095 63.477 16.452 1.00 23.56 C ATOM 563 CG1 ILE A 62 91.351 63.145 17.923 1.00 27.12 C ATOM 564 CG2 ILE A 62 91.552 62.329 15.548 1.00 25.04 C ATOM 565 CD1 ILE A 62 92.804 62.864 18.261 1.00 34.14 C ATOM 566 H ILE A 62 90.267 65.915 17.094 1.00 0.00 H ATOM 567 N LEU A 63 92.669 64.869 13.802 1.00 18.69 N ATOM 568 CA LEU A 63 92.576 64.983 12.353 1.00 19.44 C ATOM 569 C LEU A 63 91.869 63.755 11.796 1.00 25.40 C ATOM 570 O LEU A 63 92.202 62.619 12.146 1.00 23.94 O ATOM 571 CB LEU A 63 93.960 65.131 11.721 1.00 26.15 C ATOM 572 CG LEU A 63 94.615 66.514 11.824 1.00 40.11 C ATOM 573 CD1 LEU A 63 94.950 66.877 13.265 1.00 34.94 C ATOM 574 CD2 LEU A 63 95.859 66.583 10.949 1.00 52.08 C ATOM 575 H LEU A 63 93.582 64.627 14.238 1.00 0.00 H ATOM 576 N ILE A 64 90.889 63.988 10.932 1.00 23.10 N ATOM 577 CA ILE A 64 90.103 62.911 10.343 1.00 21.66 C ATOM 578 C ILE A 64 89.594 63.389 8.993 1.00 22.95 C ATOM 579 O ILE A 64 88.991 64.461 8.892 1.00 28.04 O ATOM 580 CB ILE A 64 88.944 62.488 11.272 1.00 25.99 C ATOM 581 CG1 ILE A 64 88.001 61.510 10.566 1.00 24.02 C ATOM 582 CG2 ILE A 64 88.186 63.717 11.769 1.00 23.22 C ATOM 583 CD1 ILE A 64 86.917 60.941 11.472 1.00 25.02 C ATOM 584 H ILE A 64 90.675 64.971 10.667 1.00 0.00 H ATOM 585 N GLU A 65 89.855 62.605 7.953 1.00 19.42 N ATOM 586 CA GLU A 65 89.436 62.927 6.598 1.00 25.17 C ATOM 587 C GLU A 65 88.258 62.042 6.219 1.00 24.31 C ATOM 588 O GLU A 65 88.347 60.814 6.310 1.00 23.07 O ATOM 589 CB GLU A 65 90.588 62.737 5.608 1.00 28.31 C ATOM 590 CG GLU A 65 90.279 63.230 4.200 1.00 31.82 C ATOM 591 CD GLU A 65 91.515 63.302 3.321 1.00 41.10 C ATOM 592 OE1 GLU A 65 92.572 62.782 3.734 1.00 43.85 O ATOM 593 OE2 GLU A 65 91.430 63.885 2.220 1.00 37.16 O ATOM 594 H GLU A 65 90.382 61.723 8.115 1.00 0.00 H ATOM 595 N ILE A 66 87.165 62.667 5.792 1.00 21.59 N ATOM 596 CA ILE A 66 85.915 61.976 5.491 1.00 20.58 C ATOM 597 C ILE A 66 85.654 62.143 4.004 1.00 19.47 C ATOM 598 O ILE A 66 85.369 63.253 3.538 1.00 21.27 O ATOM 599 CB ILE A 66 84.743 62.523 6.319 1.00 22.91 C ATOM 600 CG1 ILE A 66 85.022 62.359 7.814 1.00 19.94 C ATOM 601 CG2 ILE A 66 83.439 61.817 5.947 1.00 21.78 C ATOM 602 CD1 ILE A 66 84.442 63.461 8.666 1.00 20.19 C ATOM 603 H ILE A 66 87.202 63.699 5.666 1.00 0.00 H ATOM 604 N CYS A 67 85.747 61.044 3.258 1.00 24.41 N ATOM 605 CA CYS A 67 85.471 61.048 1.825 1.00 28.01 C ATOM 606 C CYS A 67 86.204 62.198 1.134 1.00 29.79 C ATOM 607 O CYS A 67 85.633 62.953 0.345 1.00 35.26 O ATOM 608 CB CYS A 67 83.965 61.120 1.568 1.00 30.69 C ATOM 609 SG CYS A 67 83.465 60.616 -0.085 1.00 43.88 S ATOM 610 H CYS A 67 86.026 60.151 3.713 1.00 0.00 H ATOM 611 N GLY A 68 87.489 62.336 1.455 1.00 30.41 N ATOM 612 CA GLY A 68 88.332 63.333 0.828 1.00 34.68 C ATOM 613 C GLY A 68 88.293 64.713 1.446 1.00 30.03 C ATOM 614 O GLY A 68 89.038 65.591 0.993 1.00 42.75 O ATOM 615 H GLY A 68 87.899 61.710 2.177 1.00 0.00 H ATOM 616 N HIS A 69 87.461 64.941 2.460 1.00 29.91 N ATOM 617 CA HIS A 69 87.342 66.243 3.108 1.00 25.38 C ATOM 618 C HIS A 69 87.931 66.163 4.509 1.00 26.84 C ATOM 619 O HIS A 69 87.614 65.242 5.271 1.00 23.25 O ATOM 620 CB HIS A 69 85.882 66.701 3.169 1.00 30.74 C ATOM 621 CG HIS A 69 85.308 67.071 1.835 1.00 29.14 C ATOM 622 ND1 HIS A 69 84.995 66.137 0.871 1.00 35.81 N ATOM 623 CD2 HIS A 69 84.991 68.277 1.306 1.00 26.58 C ATOM 624 CE1 HIS A 69 84.509 66.752 -0.194 1.00 31.33 C ATOM 625 NE2 HIS A 69 84.496 68.050 0.045 1.00 28.97 N ATOM 626 H HIS A 69 86.871 64.158 2.805 1.00 0.00 H ATOM 627 N LYS A 70 88.783 67.125 4.847 1.00 25.53 N ATOM 628 CA LYS A 70 89.489 67.114 6.119 1.00 26.42 C ATOM 629 C LYS A 70 88.661 67.792 7.204 1.00 23.38 C ATOM 630 O LYS A 70 87.945 68.763 6.947 1.00 23.43 O ATOM 631 CB LYS A 70 90.845 67.812 5.995 1.00 29.70 C ATOM 632 CG LYS A 70 91.845 67.091 5.101 1.00 38.03 C ATOM 633 CD LYS A 70 93.207 67.763 5.157 1.00 44.43 C ATOM 634 CE LYS A 70 94.217 67.076 4.251 1.00 54.23 C ATOM 635 NZ LYS A 70 95.514 67.810 4.206 1.00 69.75 N ATOM 636 HZ1 LYS A 70 95.354 68.772 3.845 1.00 0.00 H ATOM 637 HZ2 LYS A 70 95.916 67.860 5.164 1.00 0.00 H ATOM 638 HZ3 LYS A 70 96.173 67.308 3.578 1.00 0.00 H ATOM 639 H LYS A 70 88.950 67.908 4.183 1.00 0.00 H ATOM 640 N ALA A 71 88.769 67.264 8.419 1.00 23.76 N ATOM 641 CA ALA A 71 88.155 67.851 9.597 1.00 19.93 C ATOM 642 C ALA A 71 89.104 67.668 10.771 1.00 20.51 C ATOM 643 O ALA A 71 89.992 66.812 10.747 1.00 23.48 O ATOM 644 CB ALA A 71 86.795 67.214 9.909 1.00 19.87 C ATOM 645 H ALA A 71 89.319 66.389 8.531 1.00 0.00 H ATOM 646 N ILE A 72 88.919 68.491 11.798 1.00 17.62 N ATOM 647 CA ILE A 72 89.694 68.385 13.030 1.00 17.88 C ATOM 648 C ILE A 72 88.732 68.664 14.173 1.00 20.47 C ATOM 649 O ILE A 72 88.245 69.791 14.314 1.00 22.21 O ATOM 650 CB ILE A 72 90.883 69.355 13.081 1.00 19.70 C ATOM 651 CG1 ILE A 72 91.753 69.208 11.832 1.00 20.52 C ATOM 652 CG2 ILE A 72 91.702 69.100 14.343 1.00 21.41 C ATOM 653 CD1 ILE A 72 92.886 70.219 11.737 1.00 24.83 C ATOM 654 H ILE A 72 88.197 69.236 11.721 1.00 0.00 H ATOM 655 N GLY A 73 88.463 67.656 14.987 1.00 17.45 N ATOM 656 CA GLY A 73 87.476 67.817 16.026 1.00 19.55 C ATOM 657 C GLY A 73 87.459 66.653 16.984 1.00 24.71 C ATOM 658 O GLY A 73 88.390 65.848 17.035 1.00 21.48 O ATOM 659 H GLY A 73 88.962 66.750 14.878 1.00 0.00 H ATOM 660 N THR A 74 86.371 66.577 17.742 1.00 21.76 N ATOM 661 CA THR A 74 86.255 65.599 18.810 1.00 21.08 C ATOM 662 C THR A 74 85.814 64.252 18.256 1.00 21.64 C ATOM 663 O THR A 74 84.915 64.169 17.415 1.00 17.17 O ATOM 664 CB THR A 74 85.266 66.090 19.869 1.00 24.69 C ATOM 665 OG1 THR A 74 85.772 67.287 20.471 1.00 22.60 O ATOM 666 CG2 THR A 74 85.048 65.041 20.959 1.00 24.19 C ATOM 667 HG1 THR A 74 86.646 67.097 20.896 1.00 0.00 H ATOM 668 H THR A 74 85.583 67.233 17.567 1.00 0.00 H ATOM 669 N VAL A 75 86.468 63.196 18.730 1.00 22.37 N ATOM 670 CA VAL A 75 86.165 61.828 18.337 1.00 22.21 C ATOM 671 C VAL A 75 86.008 61.018 19.612 1.00 23.09 C ATOM 672 O VAL A 75 86.909 61.007 20.461 1.00 20.68 O ATOM 673 CB VAL A 75 87.258 61.229 17.436 1.00 22.66 C ATOM 674 CG1 VAL A 75 87.032 59.741 17.205 1.00 26.00 C ATOM 675 CG2 VAL A 75 87.296 61.965 16.105 1.00 21.76 C ATOM 676 H VAL A 75 87.234 63.355 19.415 1.00 0.00 H ATOM 677 N LEU A 76 84.867 60.360 19.754 1.00 17.86 N ATOM 678 CA LEU A 76 84.607 59.475 20.875 1.00 17.12 C ATOM 679 C LEU A 76 84.825 58.035 20.430 1.00 20.03 C ATOM 680 O LEU A 76 84.392 57.639 19.344 1.00 20.42 O ATOM 681 CB LEU A 76 83.182 59.666 21.397 1.00 21.45 C ATOM 682 CG LEU A 76 82.785 61.125 21.646 1.00 17.23 C ATOM 683 CD1 LEU A 76 81.352 61.218 22.103 1.00 20.36 C ATOM 684 CD2 LEU A 76 83.695 61.772 22.671 1.00 18.31 C ATOM 685 H LEU A 76 84.127 60.482 19.033 1.00 0.00 H ATOM 686 N VAL A 77 85.513 57.262 21.264 1.00 17.30 N ATOM 687 CA VAL A 77 85.874 55.884 20.952 1.00 19.55 C ATOM 688 C VAL A 77 85.271 54.983 22.019 1.00 21.05 C ATOM 689 O VAL A 77 85.484 55.201 23.217 1.00 19.42 O ATOM 690 CB VAL A 77 87.402 55.705 20.871 1.00 24.77 C ATOM 691 CG1 VAL A 77 87.766 54.249 20.604 1.00 20.21 C ATOM 692 CG2 VAL A 77 87.979 56.607 19.783 1.00 26.93 C ATOM 693 H VAL A 77 85.807 57.657 22.180 1.00 0.00 H ATOM 694 N GLY A 78 84.515 53.978 21.584 1.00 25.06 N ATOM 695 CA GLY A 78 83.856 53.081 22.499 1.00 19.30 C ATOM 696 C GLY A 78 83.010 52.047 21.790 1.00 16.27 C ATOM 697 O GLY A 78 83.031 51.927 20.562 1.00 18.44 O ATOM 698 H GLY A 78 84.397 53.837 20.560 1.00 0.00 H ATOM 699 N PRO A 79 82.240 51.276 22.560 1.00 22.32 N ATOM 700 CA PRO A 79 81.463 50.156 21.997 1.00 22.08 C ATOM 701 C PRO A 79 80.190 50.610 21.288 1.00 19.67 C ATOM 702 O PRO A 79 79.065 50.297 21.696 1.00 20.66 O ATOM 703 CB PRO A 79 81.177 49.303 23.241 1.00 22.91 C ATOM 704 CG PRO A 79 81.120 50.284 24.357 1.00 24.55 C ATOM 705 CD PRO A 79 82.140 51.338 24.030 1.00 19.25 C ATOM 706 N THR A 80 80.367 51.368 20.197 1.00 22.14 N ATOM 707 CA THR A 80 79.260 51.710 19.317 1.00 18.27 C ATOM 708 C THR A 80 79.041 50.593 18.300 1.00 16.44 C ATOM 709 O THR A 80 79.999 49.942 17.870 1.00 22.58 O ATOM 710 CB THR A 80 79.537 53.033 18.592 1.00 18.34 C ATOM 711 OG1 THR A 80 78.476 53.320 17.675 1.00 17.74 O ATOM 712 CG2 THR A 80 80.858 52.984 17.823 1.00 19.64 C ATOM 713 HG1 THR A 80 78.411 52.590 17.009 1.00 0.00 H ATOM 714 H THR A 80 81.320 51.721 19.974 1.00 0.00 H ATOM 715 N PRO A 81 77.794 50.319 17.909 1.00 16.94 N ATOM 716 CA PRO A 81 77.566 49.229 16.944 1.00 15.94 C ATOM 717 C PRO A 81 78.253 49.445 15.610 1.00 18.62 C ATOM 718 O PRO A 81 78.580 48.465 14.931 1.00 18.46 O ATOM 719 CB PRO A 81 76.037 49.198 16.795 1.00 23.06 C ATOM 720 CG PRO A 81 75.561 50.505 17.297 1.00 23.88 C ATOM 721 CD PRO A 81 76.534 50.938 18.349 1.00 17.54 C ATOM 722 N VAL A 82 78.467 50.700 15.204 1.00 17.04 N ATOM 723 CA VAL A 82 79.144 51.024 13.953 1.00 17.52 C ATOM 724 C VAL A 82 79.819 52.381 14.113 1.00 20.19 C ATOM 725 O VAL A 82 79.432 53.193 14.956 1.00 19.71 O ATOM 726 CB VAL A 82 78.179 51.059 12.738 1.00 22.87 C ATOM 727 CG1 VAL A 82 77.461 49.724 12.559 1.00 33.39 C ATOM 728 CG2 VAL A 82 77.169 52.196 12.877 1.00 24.50 C ATOM 729 H VAL A 82 78.136 51.480 15.807 1.00 0.00 H ATOM 730 N ASN A 83 80.834 52.628 13.284 1.00 16.35 N ATOM 731 CA ASN A 83 81.443 53.951 13.206 1.00 20.77 C ATOM 732 C ASN A 83 80.423 54.946 12.666 1.00 15.71 C ATOM 733 O ASN A 83 79.883 54.754 11.570 1.00 14.07 O ATOM 734 CB ASN A 83 82.674 53.926 12.300 1.00 20.03 C ATOM 735 CG ASN A 83 83.763 52.992 12.795 1.00 16.87 C ATOM 736 OD1 ASN A 83 84.012 52.875 13.995 1.00 18.06 O ATOM 737 ND2 ASN A 83 84.432 52.333 11.857 1.00 18.47 N ATOM 738 HD22 ASN A 83 84.187 52.463 10.855 1.00 0.00 H ATOM 739 HD21 ASN A 83 85.202 51.686 12.124 1.00 0.00 H ATOM 740 H ASN A 83 81.198 51.863 12.682 1.00 0.00 H ATOM 741 N ILE A 84 80.156 56.010 13.420 1.00 13.40 N ATOM 742 CA ILE A 84 79.221 57.042 12.988 1.00 12.65 C ATOM 743 C ILE A 84 79.934 58.385 12.966 1.00 13.68 C ATOM 744 O ILE A 84 80.683 58.721 13.891 1.00 14.78 O ATOM 745 CB ILE A 84 77.959 57.104 13.876 1.00 14.26 C ATOM 746 CG1 ILE A 84 78.312 57.406 15.336 1.00 16.27 C ATOM 747 CG2 ILE A 84 77.186 55.798 13.751 1.00 15.23 C ATOM 748 CD1 ILE A 84 77.096 57.586 16.232 1.00 18.09 C ATOM 749 H ILE A 84 80.627 56.108 14.342 1.00 0.00 H ATOM 750 N ILE A 85 79.708 59.138 11.892 1.00 17.22 N ATOM 751 CA ILE A 85 80.166 60.516 11.769 1.00 13.96 C ATOM 752 C ILE A 85 78.988 61.417 12.107 1.00 13.71 C ATOM 753 O ILE A 85 77.958 61.393 11.420 1.00 13.70 O ATOM 754 CB ILE A 85 80.696 60.812 10.357 1.00 15.73 C ATOM 755 CG1 ILE A 85 81.770 59.798 9.954 1.00 15.12 C ATOM 756 CG2 ILE A 85 81.245 62.229 10.282 1.00 13.99 C ATOM 757 CD1 ILE A 85 82.985 59.780 10.858 1.00 13.39 C ATOM 758 H ILE A 85 79.178 58.722 11.100 1.00 0.00 H ATOM 759 N GLY A 86 79.138 62.211 13.167 1.00 11.87 N ATOM 760 CA GLY A 86 78.078 63.066 13.648 1.00 15.52 C ATOM 761 C GLY A 86 78.258 64.514 13.218 1.00 11.27 C ATOM 762 O GLY A 86 79.196 64.883 12.515 1.00 12.18 O ATOM 763 H GLY A 86 80.051 62.215 13.665 1.00 0.00 H ATOM 764 N ARG A 87 77.319 65.346 13.677 1.00 13.94 N ATOM 765 CA ARG A 87 77.215 66.707 13.166 1.00 12.38 C ATOM 766 C ARG A 87 78.447 67.540 13.491 1.00 13.93 C ATOM 767 O ARG A 87 78.762 68.485 12.758 1.00 16.05 O ATOM 768 CB ARG A 87 75.955 67.379 13.717 1.00 11.95 C ATOM 769 CG ARG A 87 74.669 66.797 13.156 1.00 11.04 C ATOM 770 CD ARG A 87 73.446 67.582 13.582 1.00 8.99 C ATOM 771 NE ARG A 87 73.278 67.571 15.033 1.00 11.34 N ATOM 772 CZ ARG A 87 73.624 68.561 15.855 1.00 16.60 C ATOM 773 NH1 ARG A 87 74.155 69.683 15.390 1.00 13.79 N ATOM 774 NH2 ARG A 87 73.430 68.421 17.157 1.00 13.69 N ATOM 775 HE ARG A 87 72.854 66.722 15.459 1.00 0.00 H ATOM 776 HH12 ARG A 87 74.419 70.445 16.047 1.00 0.00 H ATOM 777 HH11 ARG A 87 74.308 69.802 14.368 1.00 0.00 H ATOM 778 HH22 ARG A 87 73.696 69.187 17.808 1.00 0.00 H ATOM 779 HH21 ARG A 87 73.011 67.545 17.529 1.00 0.00 H ATOM 780 H ARG A 87 76.655 65.019 14.407 1.00 0.00 H ATOM 781 N ASN A 88 79.161 67.219 14.573 1.00 12.42 N ATOM 782 CA ASN A 88 80.331 68.022 14.913 1.00 15.20 C ATOM 783 C ASN A 88 81.360 68.006 13.789 1.00 15.92 C ATOM 784 O ASN A 88 82.097 68.982 13.610 1.00 17.21 O ATOM 785 CB ASN A 88 80.954 67.540 16.225 1.00 15.36 C ATOM 786 CG ASN A 88 81.610 66.171 16.104 1.00 16.47 C ATOM 787 OD1 ASN A 88 81.020 65.223 15.583 1.00 13.61 O ATOM 788 ND2 ASN A 88 82.843 66.070 16.582 1.00 16.43 N ATOM 789 HD22 ASN A 88 83.303 66.897 17.014 1.00 0.00 H ATOM 790 HD21 ASN A 88 83.350 65.164 16.525 1.00 0.00 H ATOM 791 H ASN A 88 78.887 66.409 15.165 1.00 0.00 H ATOM 792 N LEU A 89 81.413 66.923 13.014 1.00 14.70 N ATOM 793 CA LEU A 89 82.304 66.837 11.865 1.00 16.51 C ATOM 794 C LEU A 89 81.594 67.053 10.540 1.00 12.82 C ATOM 795 O LEU A 89 82.205 67.586 9.606 1.00 14.37 O ATOM 796 CB LEU A 89 83.007 65.474 11.835 1.00 15.84 C ATOM 797 CG LEU A 89 83.887 65.134 13.040 1.00 14.90 C ATOM 798 CD1 LEU A 89 84.638 63.831 12.807 1.00 19.58 C ATOM 799 CD2 LEU A 89 84.868 66.260 13.351 1.00 20.20 C ATOM 800 H LEU A 89 80.799 66.114 13.237 1.00 0.00 H ATOM 801 N LEU A 90 80.324 66.653 10.429 1.00 14.37 N ATOM 802 CA LEU A 90 79.598 66.886 9.187 1.00 11.85 C ATOM 803 C LEU A 90 79.557 68.375 8.860 1.00 17.32 C ATOM 804 O LEU A 90 79.642 68.764 7.689 1.00 14.35 O ATOM 805 CB LEU A 90 78.183 66.312 9.282 1.00 10.67 C ATOM 806 CG LEU A 90 78.044 64.800 9.455 1.00 16.97 C ATOM 807 CD1 LEU A 90 76.592 64.444 9.708 1.00 14.43 C ATOM 808 CD2 LEU A 90 78.570 64.051 8.241 1.00 18.85 C ATOM 809 H LEU A 90 79.855 66.177 11.226 1.00 0.00 H ATOM 810 N THR A 91 79.435 69.225 9.885 1.00 16.67 N ATOM 811 CA THR A 91 79.468 70.665 9.655 1.00 14.84 C ATOM 812 C THR A 91 80.806 71.098 9.069 1.00 16.84 C ATOM 813 O THR A 91 80.853 71.967 8.192 1.00 19.64 O ATOM 814 CB THR A 91 79.192 71.426 10.955 1.00 17.70 C ATOM 815 OG1 THR A 91 80.062 70.954 11.990 1.00 19.80 O ATOM 816 CG2 THR A 91 77.742 71.265 11.388 1.00 18.68 C ATOM 817 HG1 THR A 91 79.904 69.988 12.137 1.00 0.00 H ATOM 818 H THR A 91 79.316 68.858 10.851 1.00 0.00 H ATOM 819 N GLN A 92 81.907 70.498 9.536 1.00 18.17 N ATOM 820 CA GLN A 92 83.232 70.920 9.085 1.00 17.14 C ATOM 821 C GLN A 92 83.460 70.606 7.612 1.00 21.71 C ATOM 822 O GLN A 92 84.211 71.320 6.941 1.00 21.33 O ATOM 823 CB GLN A 92 84.322 70.256 9.927 1.00 14.12 C ATOM 824 CG GLN A 92 84.358 70.706 11.363 1.00 14.26 C ATOM 825 CD GLN A 92 85.673 70.370 12.037 1.00 15.41 C ATOM 826 OE1 GLN A 92 86.683 70.130 11.373 1.00 18.90 O ATOM 827 NE2 GLN A 92 85.671 70.355 13.363 1.00 20.03 N ATOM 828 HE22 GLN A 92 84.795 70.564 13.884 1.00 0.00 H ATOM 829 HE21 GLN A 92 86.545 70.135 13.882 1.00 0.00 H ATOM 830 H GLN A 92 81.819 69.725 10.226 1.00 0.00 H ATOM 831 N ILE A 93 82.850 69.538 7.093 1.00 19.55 N ATOM 832 CA ILE A 93 83.010 69.189 5.685 1.00 19.95 C ATOM 833 C ILE A 93 81.938 69.810 4.799 1.00 21.09 C ATOM 834 O ILE A 93 81.896 69.515 3.598 1.00 19.48 O ATOM 835 CB ILE A 93 83.052 67.658 5.500 1.00 19.37 C ATOM 836 CG1 ILE A 93 81.737 66.999 5.937 1.00 19.77 C ATOM 837 CG2 ILE A 93 84.215 67.084 6.295 1.00 17.23 C ATOM 838 CD1 ILE A 93 81.659 65.514 5.588 1.00 21.21 C ATOM 839 H ILE A 93 82.251 68.945 7.702 1.00 0.00 H ATOM 840 N GLY A 94 81.079 70.667 5.347 1.00 20.34 N ATOM 841 CA GLY A 94 80.103 71.375 4.540 1.00 24.39 C ATOM 842 C GLY A 94 78.883 70.564 4.188 1.00 21.74 C ATOM 843 O GLY A 94 78.240 70.834 3.170 1.00 16.02 O ATOM 844 H GLY A 94 81.108 70.832 6.373 1.00 0.00 H ATOM 845 N CYS A 95 78.526 69.595 5.023 1.00 17.50 N ATOM 846 CA CYS A 95 77.451 68.668 4.710 1.00 20.42 C ATOM 847 C CYS A 95 76.101 69.266 5.090 1.00 18.30 C ATOM 848 O CYS A 95 75.929 69.788 6.196 1.00 22.69 O ATOM 849 CB CYS A 95 77.683 67.344 5.442 1.00 22.91 C ATOM 850 SG CYS A 95 76.609 66.018 4.913 1.00 24.51 S ATOM 851 H CYS A 95 79.030 69.497 5.927 1.00 0.00 H ATOM 852 N THR A 96 75.150 69.200 4.161 1.00 16.46 N ATOM 853 CA THR A 96 73.780 69.628 4.399 1.00 15.78 C ATOM 854 C THR A 96 72.816 68.541 3.942 1.00 19.07 C ATOM 855 O THR A 96 73.165 67.656 3.156 1.00 19.99 O ATOM 856 CB THR A 96 73.444 70.933 3.662 1.00 17.99 C ATOM 857 OG1 THR A 96 73.568 70.734 2.247 1.00 16.57 O ATOM 858 CG2 THR A 96 74.370 72.060 4.099 1.00 23.83 C ATOM 859 HG1 THR A 96 74.496 70.465 2.033 1.00 0.00 H ATOM 860 H THR A 96 75.397 68.826 3.223 1.00 0.00 H ATOM 861 N LEU A 97 71.593 68.625 4.449 1.00 18.09 N ATOM 862 CA LEU A 97 70.479 67.828 3.961 1.00 14.60 C ATOM 863 C LEU A 97 69.697 68.653 2.952 1.00 20.68 C ATOM 864 O LEU A 97 69.520 69.860 3.131 1.00 17.75 O ATOM 865 CB LEU A 97 69.563 67.399 5.106 1.00 13.75 C ATOM 866 CG LEU A 97 70.083 66.310 6.039 1.00 14.37 C ATOM 867 CD1 LEU A 97 69.221 66.244 7.291 1.00 17.97 C ATOM 868 CD2 LEU A 97 70.101 64.962 5.335 1.00 19.93 C ATOM 869 H LEU A 97 71.423 69.290 5.230 1.00 0.00 H ATOM 870 N ASN A 98 69.233 68.002 1.889 1.00 19.55 N ATOM 871 CA ASN A 98 68.537 68.698 0.817 1.00 21.63 C ATOM 872 C ASN A 98 67.371 67.856 0.327 1.00 22.60 C ATOM 873 O ASN A 98 67.544 66.674 0.022 1.00 23.57 O ATOM 874 CB ASN A 98 69.491 69.004 -0.342 1.00 20.81 C ATOM 875 CG ASN A 98 70.617 69.937 0.061 1.00 26.70 C ATOM 876 OD1 ASN A 98 70.485 71.158 -0.019 1.00 23.98 O ATOM 877 ND2 ASN A 98 71.734 69.364 0.494 1.00 20.14 N ATOM 878 HD22 ASN A 98 71.801 68.327 0.545 1.00 0.00 H ATOM 879 HD21 ASN A 98 72.542 69.952 0.782 1.00 0.00 H ATOM 880 H ASN A 98 69.371 66.973 1.822 1.00 0.00 H ATOM 881 N PHE A 99 66.191 68.466 0.260 1.00 24.87 N ATOM 882 CA PHE A 99 65.017 67.817 -0.317 1.00 30.20 C ATOM 883 C PHE A 99 64.038 68.865 -0.841 1.00 35.20 C ATOM 884 O PHE A 99 63.063 68.549 -1.523 1.00 34.67 O ATOM 885 CB PHE A 99 64.330 66.899 0.706 1.00 32.72 C ATOM 886 CG PHE A 99 63.808 67.604 1.930 1.00 31.54 C ATOM 887 CD1 PHE A 99 64.604 67.736 3.055 1.00 27.98 C ATOM 888 CD2 PHE A 99 62.512 68.094 1.973 1.00 31.74 C ATOM 889 CE1 PHE A 99 64.128 68.364 4.190 1.00 32.42 C ATOM 890 CE2 PHE A 99 62.032 68.725 3.106 1.00 30.57 C ATOM 891 CZ PHE A 99 62.841 68.858 4.215 1.00 34.36 C ATOM 892 OXT PHE A 99 64.206 70.060 -0.604 1.00 36.97 O ATOM 893 H PHE A 99 66.102 69.434 0.630 1.00 0.00 H TER 894 PHE A 99 ATOM 895 N PRO B 1 63.897 72.236 0.617 1.00 41.58 N ATOM 896 CA PRO B 1 64.842 73.203 1.182 1.00 38.73 C ATOM 897 C PRO B 1 66.223 72.608 1.449 1.00 36.69 C ATOM 898 O PRO B 1 66.472 71.442 1.136 1.00 28.67 O ATOM 899 CB PRO B 1 64.166 73.618 2.493 1.00 39.23 C ATOM 900 CG PRO B 1 63.370 72.432 2.884 1.00 31.01 C ATOM 901 CD PRO B 1 62.870 71.840 1.596 1.00 37.27 C ATOM 902 HN2 PRO B 1 64.421 71.389 0.316 1.00 0.00 H ATOM 903 HN1 PRO B 1 63.429 72.664 -0.208 1.00 0.00 H ATOM 904 N GLN B 2 67.114 73.416 2.018 1.00 31.72 N ATOM 905 CA GLN B 2 68.423 72.961 2.463 1.00 30.19 C ATOM 906 C GLN B 2 68.514 73.145 3.969 1.00 30.43 C ATOM 907 O GLN B 2 68.158 74.207 4.491 1.00 24.01 O ATOM 908 CB GLN B 2 69.551 73.727 1.768 1.00 28.49 C ATOM 909 CG GLN B 2 70.938 73.326 2.246 1.00 28.46 C ATOM 910 CD GLN B 2 72.044 74.010 1.472 1.00 27.95 C ATOM 911 OE1 GLN B 2 72.643 74.976 1.945 1.00 39.15 O ATOM 912 NE2 GLN B 2 72.323 73.511 0.276 1.00 29.02 N ATOM 913 HE22 GLN B 2 71.790 72.693 -0.083 1.00 0.00 H ATOM 914 HE21 GLN B 2 73.074 73.937 -0.303 1.00 0.00 H ATOM 915 H GLN B 2 66.864 74.417 2.151 1.00 0.00 H ATOM 916 N ILE B 3 68.986 72.116 4.664 1.00 24.87 N ATOM 917 CA ILE B 3 69.103 72.141 6.116 1.00 24.05 C ATOM 918 C ILE B 3 70.572 71.983 6.474 1.00 24.68 C ATOM 919 O ILE B 3 71.196 70.969 6.133 1.00 16.20 O ATOM 920 CB ILE B 3 68.252 71.044 6.773 1.00 21.04 C ATOM 921 CG1 ILE B 3 66.783 71.220 6.380 1.00 25.73 C ATOM 922 CG2 ILE B 3 68.402 71.084 8.291 1.00 20.85 C ATOM 923 CD1 ILE B 3 65.885 70.089 6.823 1.00 25.15 C ATOM 924 H ILE B 3 69.283 71.261 4.153 1.00 0.00 H ATOM 925 N THR B 4 71.126 72.985 7.149 1.00 19.62 N ATOM 926 CA THR B 4 72.469 72.859 7.684 1.00 17.71 C ATOM 927 C THR B 4 72.425 72.056 8.981 1.00 16.12 C ATOM 928 O THR B 4 71.361 71.799 9.552 1.00 21.06 O ATOM 929 CB THR B 4 73.098 74.236 7.913 1.00 19.55 C ATOM 930 OG1 THR B 4 72.357 74.953 8.906 1.00 24.48 O ATOM 931 CG2 THR B 4 73.112 75.034 6.618 1.00 20.68 C ATOM 932 HG1 THR B 4 72.367 74.444 9.755 1.00 0.00 H ATOM 933 H THR B 4 70.593 73.866 7.295 1.00 0.00 H ATOM 934 N LEU B 5 73.603 71.646 9.446 1.00 16.71 N ATOM 935 CA LEU B 5 73.699 70.710 10.559 1.00 15.84 C ATOM 936 C LEU B 5 74.344 71.338 11.788 1.00 15.67 C ATOM 937 O LEU B 5 74.842 70.619 12.658 1.00 11.98 O ATOM 938 CB LEU B 5 74.460 69.460 10.120 1.00 16.01 C ATOM 939 CG LEU B 5 73.815 68.725 8.938 1.00 14.79 C ATOM 940 CD1 LEU B 5 74.689 67.577 8.456 1.00 19.31 C ATOM 941 CD2 LEU B 5 72.425 68.209 9.302 1.00 16.67 C ATOM 942 H LEU B 5 74.475 72.002 9.005 1.00 0.00 H ATOM 943 N TRP B 6 74.324 72.670 11.885 1.00 12.60 N ATOM 944 CA TRP B 6 74.766 73.330 13.108 1.00 15.96 C ATOM 945 C TRP B 6 73.953 72.872 14.306 1.00 16.98 C ATOM 946 O TRP B 6 74.486 72.757 15.416 1.00 19.71 O ATOM 947 CB TRP B 6 74.654 74.844 12.961 1.00 16.91 C ATOM 948 CG TRP B 6 75.572 75.432 11.942 1.00 19.89 C ATOM 949 CD1 TRP B 6 75.219 76.068 10.788 1.00 23.08 C ATOM 950 CD2 TRP B 6 77.004 75.452 11.989 1.00 17.65 C ATOM 951 NE1 TRP B 6 76.341 76.486 10.116 1.00 21.92 N ATOM 952 CE2 TRP B 6 77.449 76.121 10.834 1.00 19.80 C ATOM 953 CE3 TRP B 6 77.950 74.974 12.899 1.00 21.46 C ATOM 954 CZ2 TRP B 6 78.799 76.316 10.559 1.00 21.35 C ATOM 955 CZ3 TRP B 6 79.292 75.176 12.627 1.00 20.23 C ATOM 956 CH2 TRP B 6 79.703 75.838 11.468 1.00 20.77 C ATOM 957 HE1 TRP B 6 76.348 76.996 9.210 1.00 0.00 H ATOM 958 H TRP B 6 73.991 73.241 11.082 1.00 0.00 H ATOM 959 N LYS B 7 72.665 72.612 14.105 1.00 14.58 N ATOM 960 CA LYS B 7 71.786 72.130 15.155 1.00 14.59 C ATOM 961 C LYS B 7 71.076 70.878 14.661 1.00 14.31 C ATOM 962 O LYS B 7 71.132 70.533 13.478 1.00 17.19 O ATOM 963 CB LYS B 7 70.777 73.211 15.571 1.00 18.24 C ATOM 964 CG LYS B 7 69.762 73.576 14.496 1.00 20.80 C ATOM 965 CD LYS B 7 68.983 74.830 14.870 1.00 26.40 C ATOM 966 CE LYS B 7 67.675 74.926 14.100 1.00 28.27 C ATOM 967 NZ LYS B 7 66.904 76.147 14.463 1.00 44.75 N ATOM 968 HZ1 LYS B 7 66.683 76.127 15.479 1.00 0.00 H ATOM 969 HZ2 LYS B 7 67.472 76.991 14.247 1.00 0.00 H ATOM 970 HZ3 LYS B 7 66.020 76.173 13.915 1.00 0.00 H ATOM 971 H LYS B 7 72.270 72.760 13.154 1.00 0.00 H ATOM 972 N ARG B 8 70.413 70.194 15.583 1.00 14.37 N ATOM 973 CA ARG B 8 69.715 68.966 15.239 1.00 14.19 C ATOM 974 C ARG B 8 68.718 69.237 14.115 1.00 16.29 C ATOM 975 O ARG B 8 67.970 70.222 14.185 1.00 14.51 O ATOM 976 CB ARG B 8 68.997 68.402 16.462 1.00 15.34 C ATOM 977 CG ARG B 8 69.939 67.948 17.559 1.00 18.64 C ATOM 978 CD ARG B 8 69.210 67.219 18.676 1.00 19.20 C ATOM 979 NE ARG B 8 70.139 66.519 19.559 1.00 29.04 N ATOM 980 CZ ARG B 8 69.778 65.619 20.472 1.00 38.05 C ATOM 981 NH1 ARG B 8 68.501 65.295 20.632 1.00 30.57 N ATOM 982 NH2 ARG B 8 70.699 65.035 21.226 1.00 27.47 N ATOM 983 HE ARG B 8 71.152 66.738 19.469 1.00 0.00 H ATOM 984 HH12 ARG B 8 68.229 64.591 21.348 1.00 0.00 H ATOM 985 HH11 ARG B 8 67.772 65.745 20.042 1.00 0.00 H ATOM 986 HH22 ARG B 8 70.418 64.332 21.939 1.00 0.00 H ATOM 987 HH21 ARG B 8 71.702 65.280 21.104 1.00 0.00 H ATOM 988 H ARG B 8 70.392 70.540 16.564 1.00 0.00 H ATOM 989 N PRO B 9 68.683 68.411 13.058 1.00 12.04 N ATOM 990 CA PRO B 9 67.735 68.655 11.948 1.00 14.33 C ATOM 991 C PRO B 9 66.310 68.231 12.284 1.00 17.55 C ATOM 992 O PRO B 9 65.775 67.235 11.785 1.00 16.05 O ATOM 993 CB PRO B 9 68.348 67.833 10.810 1.00 14.82 C ATOM 994 CG PRO B 9 69.026 66.715 11.495 1.00 11.16 C ATOM 995 CD PRO B 9 69.605 67.305 12.746 1.00 11.67 C ATOM 996 N LEU B 10 65.664 69.019 13.141 1.00 16.38 N ATOM 997 CA LEU B 10 64.296 68.756 13.569 1.00 17.88 C ATOM 998 C LEU B 10 63.312 69.465 12.647 1.00 21.84 C ATOM 999 O LEU B 10 63.485 70.647 12.334 1.00 17.61 O ATOM 1000 CB LEU B 10 64.085 69.219 15.010 1.00 17.26 C ATOM 1001 CG LEU B 10 64.870 68.470 16.088 1.00 20.41 C ATOM 1002 CD1 LEU B 10 64.756 69.196 17.419 1.00 27.47 C ATOM 1003 CD2 LEU B 10 64.376 67.037 16.210 1.00 18.36 C ATOM 1004 H LEU B 10 66.155 69.854 13.520 1.00 0.00 H ATOM 1005 N VAL B 11 62.278 68.741 12.221 1.00 21.17 N ATOM 1006 CA VAL B 11 61.226 69.290 11.373 1.00 22.98 C ATOM 1007 C VAL B 11 59.879 68.813 11.900 1.00 21.24 C ATOM 1008 O VAL B 11 59.790 67.881 12.701 1.00 19.62 O ATOM 1009 CB VAL B 11 61.395 68.887 9.891 1.00 22.52 C ATOM 1010 CG1 VAL B 11 62.750 69.339 9.360 1.00 22.34 C ATOM 1011 CG2 VAL B 11 61.227 67.387 9.714 1.00 19.56 C ATOM 1012 H VAL B 11 62.218 67.742 12.505 1.00 0.00 H ATOM 1013 N THR B 12 58.819 69.462 11.429 1.00 19.17 N ATOM 1014 CA THR B 12 57.466 69.079 11.799 1.00 19.23 C ATOM 1015 C THR B 12 56.979 67.970 10.879 1.00 16.07 C ATOM 1016 O THR B 12 57.174 68.022 9.662 1.00 22.15 O ATOM 1017 CB THR B 12 56.510 70.273 11.720 1.00 22.67 C ATOM 1018 OG1 THR B 12 57.004 71.343 12.531 1.00 19.43 O ATOM 1019 CG2 THR B 12 55.119 69.880 12.206 1.00 16.71 C ATOM 1020 HG1 THR B 12 57.072 71.039 13.471 1.00 0.00 H ATOM 1021 H THR B 12 58.961 70.263 10.781 1.00 0.00 H ATOM 1022 N ILE B 13 56.347 66.965 11.474 1.00 19.16 N ATOM 1023 CA ILE B 13 55.742 65.875 10.730 1.00 17.11 C ATOM 1024 C ILE B 13 54.280 65.769 11.138 1.00 21.65 C ATOM 1025 O ILE B 13 53.869 66.234 12.204 1.00 20.42 O ATOM 1026 CB ILE B 13 56.469 64.535 10.964 1.00 16.68 C ATOM 1027 CG1 ILE B 13 56.294 64.076 12.415 1.00 19.23 C ATOM 1028 CG2 ILE B 13 57.943 64.682 10.614 1.00 23.90 C ATOM 1029 CD1 ILE B 13 56.806 62.679 12.687 1.00 21.35 C ATOM 1030 H ILE B 13 56.283 66.959 12.512 1.00 0.00 H ATOM 1031 N LYS B 14 53.493 65.142 10.269 1.00 15.64 N ATOM 1032 CA LYS B 14 52.088 64.860 10.533 1.00 19.18 C ATOM 1033 C LYS B 14 51.872 63.362 10.402 1.00 22.31 C ATOM 1034 O LYS B 14 52.101 62.796 9.329 1.00 24.32 O ATOM 1035 CB LYS B 14 51.178 65.616 9.561 1.00 25.62 C ATOM 1036 CG LYS B 14 49.688 65.388 9.806 1.00 30.12 C ATOM 1037 CD LYS B 14 48.868 65.545 8.533 1.00 42.72 C ATOM 1038 CE LYS B 14 47.766 66.574 8.703 1.00 52.60 C ATOM 1039 NZ LYS B 14 46.704 66.428 7.670 1.00 61.26 N ATOM 1040 HZ1 LYS B 14 47.122 66.551 6.725 1.00 0.00 H ATOM 1041 HZ2 LYS B 14 46.280 65.481 7.742 1.00 0.00 H ATOM 1042 HZ3 LYS B 14 45.971 67.150 7.823 1.00 0.00 H ATOM 1043 H LYS B 14 53.898 64.839 9.360 1.00 0.00 H ATOM 1044 N ILE B 15 51.432 62.726 11.487 1.00 26.05 N ATOM 1045 CA ILE B 15 51.170 61.292 11.502 1.00 26.90 C ATOM 1046 C ILE B 15 49.937 61.024 12.351 1.00 33.40 C ATOM 1047 O ILE B 15 49.759 61.625 13.416 1.00 30.79 O ATOM 1048 CB ILE B 15 52.370 60.486 12.037 1.00 27.21 C ATOM 1049 CG1 ILE B 15 52.008 58.995 12.054 1.00 31.51 C ATOM 1050 CG2 ILE B 15 52.777 60.983 13.424 1.00 27.47 C ATOM 1051 CD1 ILE B 15 53.121 58.086 12.457 1.00 34.02 C ATOM 1052 H ILE B 15 51.269 63.273 12.356 1.00 0.00 H ATOM 1053 N GLY B 16 49.102 60.099 11.891 1.00 37.02 N ATOM 1054 CA GLY B 16 47.883 59.774 12.623 1.00 39.72 C ATOM 1055 C GLY B 16 47.089 60.994 13.020 1.00 35.95 C ATOM 1056 O GLY B 16 46.489 61.024 14.102 1.00 39.48 O ATOM 1057 H GLY B 16 49.319 59.603 11.003 1.00 0.00 H ATOM 1058 N GLY B 17 47.082 62.019 12.169 1.00 33.28 N ATOM 1059 CA GLY B 17 46.413 63.263 12.482 1.00 35.90 C ATOM 1060 C GLY B 17 47.097 64.130 13.516 1.00 45.30 C ATOM 1061 O GLY B 17 46.513 65.131 13.942 1.00 45.11 O ATOM 1062 H GLY B 17 47.570 61.922 11.256 1.00 0.00 H ATOM 1063 N GLN B 18 48.316 63.792 13.932 1.00 38.87 N ATOM 1064 CA GLN B 18 49.030 64.541 14.959 1.00 26.08 C ATOM 1065 C GLN B 18 50.276 65.194 14.376 1.00 29.44 C ATOM 1066 O GLN B 18 50.961 64.608 13.533 1.00 26.55 O ATOM 1067 CB GLN B 18 49.428 63.632 16.125 1.00 37.48 C ATOM 1068 CG GLN B 18 48.260 63.171 16.978 1.00 44.00 C ATOM 1069 CD GLN B 18 48.709 62.471 18.244 1.00 50.75 C ATOM 1070 OE1 GLN B 18 49.408 61.458 18.193 1.00 47.96 O ATOM 1071 NE2 GLN B 18 48.319 63.017 19.392 1.00 52.36 N ATOM 1072 HE22 GLN B 18 47.729 63.873 19.387 1.00 0.00 H ATOM 1073 HE21 GLN B 18 48.604 62.588 20.295 1.00 0.00 H ATOM 1074 H GLN B 18 48.777 62.962 13.508 1.00 0.00 H ATOM 1075 N LEU B 19 50.564 66.411 14.835 1.00 23.00 N ATOM 1076 CA LEU B 19 51.794 67.104 14.478 1.00 25.13 C ATOM 1077 C LEU B 19 52.855 66.837 15.538 1.00 29.99 C ATOM 1078 O LEU B 19 52.585 66.948 16.738 1.00 28.12 O ATOM 1079 CB LEU B 19 51.562 68.610 14.340 1.00 27.99 C ATOM 1080 CG LEU B 19 50.622 69.100 13.234 1.00 25.64 C ATOM 1081 CD1 LEU B 19 50.679 70.618 13.154 1.00 24.15 C ATOM 1082 CD2 LEU B 19 50.964 68.482 11.886 1.00 29.67 C ATOM 1083 H LEU B 19 49.888 66.882 15.470 1.00 0.00 H ATOM 1084 N LYS B 20 54.059 66.492 15.088 1.00 20.21 N ATOM 1085 CA LYS B 20 55.169 66.195 15.978 1.00 21.00 C ATOM 1086 C LYS B 20 56.448 66.762 15.382 1.00 17.11 C ATOM 1087 O LYS B 20 56.515 67.079 14.193 1.00 19.03 O ATOM 1088 CB LYS B 20 55.324 64.684 16.201 1.00 24.80 C ATOM 1089 CG LYS B 20 54.100 64.004 16.791 1.00 25.49 C ATOM 1090 CD LYS B 20 54.206 62.502 16.661 1.00 25.41 C ATOM 1091 CE LYS B 20 53.062 61.799 17.364 1.00 39.48 C ATOM 1092 NZ LYS B 20 53.234 61.801 18.843 1.00 32.44 N ATOM 1093 HZ1 LYS B 20 54.118 61.311 19.089 1.00 0.00 H ATOM 1094 HZ2 LYS B 20 53.273 62.782 19.185 1.00 0.00 H ATOM 1095 HZ3 LYS B 20 52.430 61.311 19.285 1.00 0.00 H ATOM 1096 H LYS B 20 54.211 66.433 14.061 1.00 0.00 H ATOM 1097 N GLU B 21 57.462 66.906 16.231 1.00 18.03 N ATOM 1098 CA GLU B 21 58.803 67.268 15.797 1.00 20.93 C ATOM 1099 C GLU B 21 59.636 65.997 15.696 1.00 18.11 C ATOM 1100 O GLU B 21 59.614 65.167 16.610 1.00 16.12 O ATOM 1101 CB GLU B 21 59.456 68.251 16.771 1.00 18.44 C ATOM 1102 CG GLU B 21 58.752 69.600 16.890 1.00 31.86 C ATOM 1103 CD GLU B 21 58.645 70.328 15.562 1.00 28.92 C ATOM 1104 OE1 GLU B 21 57.542 70.336 14.975 1.00 31.04 O ATOM 1105 OE2 GLU B 21 59.666 70.883 15.101 1.00 27.42 O ATOM 1106 H GLU B 21 57.289 66.754 17.245 1.00 0.00 H ATOM 1107 N ALA B 22 60.360 65.843 14.587 1.00 14.34 N ATOM 1108 CA ALA B 22 61.123 64.628 14.340 1.00 16.15 C ATOM 1109 C ALA B 22 62.468 64.963 13.716 1.00 15.88 C ATOM 1110 O ALA B 22 62.621 65.966 13.015 1.00 17.33 O ATOM 1111 CB ALA B 22 60.365 63.654 13.426 1.00 14.45 C ATOM 1112 H ALA B 22 60.380 66.608 13.883 1.00 0.00 H ATOM 1113 N LEU B 23 63.434 64.090 13.977 1.00 13.29 N ATOM 1114 CA LEU B 23 64.801 64.235 13.504 1.00 16.80 C ATOM 1115 C LEU B 23 64.952 63.574 12.138 1.00 16.90 C ATOM 1116 O LEU B 23 64.613 62.397 11.971 1.00 15.88 O ATOM 1117 CB LEU B 23 65.748 63.590 14.519 1.00 14.54 C ATOM 1118 CG LEU B 23 67.218 63.968 14.601 1.00 23.77 C ATOM 1119 CD1 LEU B 23 67.377 65.416 15.006 1.00 20.63 C ATOM 1120 CD2 LEU B 23 67.888 63.053 15.613 1.00 28.21 C ATOM 1121 H LEU B 23 63.199 63.256 14.552 1.00 0.00 H ATOM 1122 N LEU B 24 65.453 64.331 11.162 1.00 14.38 N ATOM 1123 CA LEU B 24 65.813 63.764 9.865 1.00 12.91 C ATOM 1124 C LEU B 24 67.163 63.077 10.011 1.00 14.36 C ATOM 1125 O LEU B 24 68.198 63.746 10.083 1.00 12.82 O ATOM 1126 CB LEU B 24 65.870 64.845 8.790 1.00 18.32 C ATOM 1127 CG LEU B 24 64.585 65.620 8.507 1.00 20.21 C ATOM 1128 CD1 LEU B 24 64.824 66.599 7.367 1.00 29.84 C ATOM 1129 CD2 LEU B 24 63.430 64.682 8.186 1.00 21.33 C ATOM 1130 H LEU B 24 65.591 65.348 11.328 1.00 0.00 H ATOM 1131 N ASP B 25 67.160 61.746 10.032 1.00 14.39 N ATOM 1132 CA ASP B 25 68.303 60.965 10.504 1.00 13.77 C ATOM 1133 C ASP B 25 68.774 59.986 9.431 1.00 18.51 C ATOM 1134 O ASP B 25 68.209 58.900 9.274 1.00 14.00 O ATOM 1135 CB ASP B 25 67.929 60.231 11.782 1.00 12.47 C ATOM 1136 CG ASP B 25 69.115 59.581 12.443 1.00 15.98 C ATOM 1137 OD1 ASP B 25 70.224 59.644 11.869 1.00 17.55 O ATOM 1138 OD2 ASP B 25 68.936 59.015 13.539 1.00 15.72 O ATOM 1139 H ASP B 25 66.313 61.242 9.700 1.00 0.00 H ATOM 1140 N THR B 26 69.846 60.355 8.727 1.00 14.20 N ATOM 1141 CA THR B 26 70.437 59.481 7.721 1.00 15.45 C ATOM 1142 C THR B 26 71.069 58.235 8.327 1.00 14.16 C ATOM 1143 O THR B 26 71.332 57.272 7.598 1.00 17.51 O ATOM 1144 CB THR B 26 71.494 60.245 6.922 1.00 15.03 C ATOM 1145 OG1 THR B 26 72.528 60.701 7.807 1.00 16.58 O ATOM 1146 CG2 THR B 26 70.871 61.438 6.213 1.00 14.14 C ATOM 1147 HG1 THR B 26 72.949 59.922 8.250 1.00 0.00 H ATOM 1148 H THR B 26 70.270 61.289 8.900 1.00 0.00 H ATOM 1149 N GLY B 27 71.328 58.232 9.632 1.00 12.61 N ATOM 1150 CA GLY B 27 71.891 57.076 10.292 1.00 12.23 C ATOM 1151 C GLY B 27 70.883 56.048 10.741 1.00 12.11 C ATOM 1152 O GLY B 27 71.277 54.966 11.181 1.00 13.49 O ATOM 1153 H GLY B 27 71.120 59.084 10.192 1.00 0.00 H ATOM 1154 N ALA B 28 69.593 56.361 10.646 1.00 15.29 N ATOM 1155 CA ALA B 28 68.522 55.457 11.039 1.00 14.68 C ATOM 1156 C ALA B 28 68.000 54.722 9.810 1.00 12.29 C ATOM 1157 O ALA B 28 67.533 55.355 8.859 1.00 14.06 O ATOM 1158 CB ALA B 28 67.393 56.231 11.717 1.00 13.45 C ATOM 1159 H ALA B 28 69.338 57.297 10.273 1.00 0.00 H ATOM 1160 N ASP B 29 68.085 53.390 9.827 1.00 15.59 N ATOM 1161 CA ASP B 29 67.528 52.605 8.729 1.00 17.15 C ATOM 1162 C ASP B 29 66.035 52.863 8.582 1.00 19.23 C ATOM 1163 O ASP B 29 65.534 53.082 7.472 1.00 13.74 O ATOM 1164 CB ASP B 29 67.780 51.111 8.953 1.00 20.88 C ATOM 1165 CG ASP B 29 69.239 50.724 8.797 1.00 22.46 C ATOM 1166 OD1 ASP B 29 70.013 51.488 8.187 1.00 19.63 O ATOM 1167 OD2 ASP B 29 69.607 49.632 9.275 1.00 21.46 O ATOM 1168 H ASP B 29 68.549 52.910 10.624 1.00 0.00 H ATOM 1169 N ASP B 30 65.308 52.845 9.697 1.00 14.12 N ATOM 1170 CA ASP B 30 63.856 52.920 9.689 1.00 15.48 C ATOM 1171 C ASP B 30 63.369 53.978 10.669 1.00 14.07 C ATOM 1172 O ASP B 30 64.014 54.262 11.682 1.00 18.80 O ATOM 1173 CB ASP B 30 63.236 51.565 10.038 1.00 20.96 C ATOM 1174 CG ASP B 30 63.464 50.531 8.953 1.00 20.69 C ATOM 1175 OD1 ASP B 30 62.934 50.713 7.837 1.00 22.05 O ATOM 1176 OD2 ASP B 30 64.188 49.554 9.214 1.00 22.52 O ATOM 1177 H ASP B 30 65.799 52.774 10.611 1.00 0.00 H ATOM 1178 N THR B 31 62.214 54.547 10.346 1.00 12.28 N ATOM 1179 CA THR B 31 61.583 55.562 11.179 1.00 13.16 C ATOM 1180 C THR B 31 61.113 54.955 12.496 1.00 18.43 C ATOM 1181 O THR B 31 60.483 53.892 12.511 1.00 17.27 O ATOM 1182 CB THR B 31 60.404 56.176 10.419 1.00 15.16 C ATOM 1183 OG1 THR B 31 60.884 56.836 9.242 1.00 18.96 O ATOM 1184 CG2 THR B 31 59.630 57.172 11.275 1.00 16.49 C ATOM 1185 HG1 THR B 31 61.345 56.180 8.662 1.00 0.00 H ATOM 1186 H THR B 31 61.742 54.257 9.466 1.00 0.00 H ATOM 1187 N VAL B 32 61.423 55.626 13.605 1.00 15.39 N ATOM 1188 CA VAL B 32 60.945 55.225 14.924 1.00 17.46 C ATOM 1189 C VAL B 32 60.406 56.458 15.637 1.00 19.10 C ATOM 1190 O VAL B 32 61.102 57.473 15.746 1.00 15.43 O ATOM 1191 CB VAL B 32 62.045 54.539 15.760 1.00 19.01 C ATOM 1192 CG1 VAL B 32 63.258 55.435 15.926 1.00 19.96 C ATOM 1193 CG2 VAL B 32 61.494 54.104 17.119 1.00 18.61 C ATOM 1194 H VAL B 32 62.029 56.468 13.527 1.00 0.00 H ATOM 1195 N LEU B 33 59.171 56.367 16.118 1.00 16.13 N ATOM 1196 CA LEU B 33 58.498 57.476 16.775 1.00 14.20 C ATOM 1197 C LEU B 33 58.257 57.155 18.243 1.00 18.23 C ATOM 1198 O LEU B 33 58.071 55.995 18.622 1.00 15.36 O ATOM 1199 CB LEU B 33 57.163 57.787 16.097 1.00 15.79 C ATOM 1200 CG LEU B 33 57.230 58.165 14.619 1.00 15.50 C ATOM 1201 CD1 LEU B 33 55.839 58.437 14.107 1.00 26.56 C ATOM 1202 CD2 LEU B 33 58.130 59.371 14.392 1.00 17.03 C ATOM 1203 H LEU B 33 58.664 55.464 16.021 1.00 0.00 H ATOM 1204 N GLU B 34 58.269 58.202 19.063 1.00 16.92 N ATOM 1205 CA GLU B 34 57.953 58.069 20.476 1.00 17.96 C ATOM 1206 C GLU B 34 56.592 57.401 20.655 1.00 22.77 C ATOM 1207 O GLU B 34 55.737 57.413 19.763 1.00 18.88 O ATOM 1208 CB GLU B 34 57.965 59.440 21.154 1.00 20.03 C ATOM 1209 CG GLU B 34 59.346 60.079 21.242 1.00 27.26 C ATOM 1210 CD GLU B 34 59.294 61.548 21.633 1.00 42.24 C ATOM 1211 OE1 GLU B 34 60.047 62.356 21.047 1.00 38.03 O ATOM 1212 OE2 GLU B 34 58.494 61.898 22.524 1.00 47.52 O ATOM 1213 H GLU B 34 58.511 59.140 18.684 1.00 0.00 H ATOM 1214 N GLU B 35 56.401 56.811 21.833 1.00 24.56 N ATOM 1215 CA GLU B 35 55.189 56.055 22.121 1.00 24.87 C ATOM 1216 C GLU B 35 53.941 56.838 21.735 1.00 28.52 C ATOM 1217 O GLU B 35 53.762 57.991 22.137 1.00 26.42 O ATOM 1218 CB GLU B 35 55.150 55.697 23.608 1.00 33.48 C ATOM 1219 CG GLU B 35 53.884 54.978 24.051 1.00 34.71 C ATOM 1220 CD GLU B 35 53.592 53.736 23.228 1.00 32.66 C ATOM 1221 OE1 GLU B 35 54.523 52.927 23.017 1.00 24.92 O ATOM 1222 OE2 GLU B 35 52.433 53.572 22.789 1.00 37.45 O ATOM 1223 H GLU B 35 57.135 56.892 22.566 1.00 0.00 H ATOM 1224 N MET B 36 53.084 56.200 20.942 1.00 20.53 N ATOM 1225 CA MET B 36 51.809 56.776 20.542 1.00 39.50 C ATOM 1226 C MET B 36 50.851 55.633 20.242 1.00 30.40 C ATOM 1227 O MET B 36 51.269 54.514 19.938 1.00 27.05 O ATOM 1228 CB MET B 36 51.958 57.705 19.328 1.00 30.81 C ATOM 1229 CG MET B 36 52.310 57.002 18.022 1.00 36.55 C ATOM 1230 SD MET B 36 52.588 58.148 16.651 1.00 30.69 S ATOM 1231 CE MET B 36 51.053 59.078 16.647 1.00 36.59 C ATOM 1232 H MET B 36 53.335 55.253 20.594 1.00 0.00 H ATOM 1233 N ASN B 37 49.553 55.924 20.333 1.00 31.35 N ATOM 1234 CA ASN B 37 48.518 54.893 20.239 1.00 37.96 C ATOM 1235 C ASN B 37 47.947 54.871 18.822 1.00 39.10 C ATOM 1236 O ASN B 37 46.844 55.348 18.558 1.00 44.06 O ATOM 1237 CB ASN B 37 47.430 55.140 21.281 1.00 42.21 C ATOM 1238 CG ASN B 37 47.995 55.507 22.639 1.00 53.39 C ATOM 1239 OD1 ASN B 37 48.069 56.683 22.997 1.00 56.24 O ATOM 1240 ND2 ASN B 37 48.403 54.500 23.402 1.00 65.05 N ATOM 1241 HD22 ASN B 37 48.322 53.522 23.059 1.00 0.00 H ATOM 1242 HD21 ASN B 37 48.804 54.690 24.343 1.00 0.00 H ATOM 1243 H ASN B 37 49.267 56.914 20.475 1.00 0.00 H ATOM 1244 N LEU B 38 48.718 54.281 17.894 1.00 35.59 N ATOM 1245 CA LEU B 38 48.241 54.103 16.526 1.00 27.70 C ATOM 1246 C LEU B 38 47.284 52.913 16.449 1.00 38.63 C ATOM 1247 O LEU B 38 47.509 51.894 17.107 1.00 36.56 O ATOM 1248 CB LEU B 38 49.404 53.863 15.565 1.00 32.82 C ATOM 1249 CG LEU B 38 50.226 55.048 15.057 1.00 39.31 C ATOM 1250 CD1 LEU B 38 51.313 54.534 14.123 1.00 32.60 C ATOM 1251 CD2 LEU B 38 49.358 56.076 14.342 1.00 40.17 C ATOM 1252 H LEU B 38 49.668 53.946 18.154 1.00 0.00 H ATOM 1253 N PRO B 39 46.221 53.003 15.655 1.00 36.99 N ATOM 1254 CA PRO B 39 45.380 51.829 15.412 1.00 40.38 C ATOM 1255 C PRO B 39 45.999 50.901 14.379 1.00 29.33 C ATOM 1256 O PRO B 39 46.921 51.259 13.646 1.00 36.23 O ATOM 1257 CB PRO B 39 44.072 52.430 14.890 1.00 43.25 C ATOM 1258 CG PRO B 39 44.499 53.682 14.211 1.00 43.55 C ATOM 1259 CD PRO B 39 45.674 54.208 15.001 1.00 46.18 C ATOM 1260 N GLY B 40 45.466 49.691 14.332 1.00 40.41 N ATOM 1261 CA GLY B 40 45.864 48.704 13.349 1.00 33.04 C ATOM 1262 C GLY B 40 46.749 47.626 13.949 1.00 31.40 C ATOM 1263 O GLY B 40 47.146 47.665 15.114 1.00 31.25 O ATOM 1264 H GLY B 40 44.734 49.439 15.027 1.00 0.00 H ATOM 1265 N ARG B 41 47.051 46.643 13.106 1.00 25.22 N ATOM 1266 CA ARG B 41 47.918 45.545 13.489 1.00 27.36 C ATOM 1267 C ARG B 41 49.377 45.990 13.476 1.00 30.86 C ATOM 1268 O ARG B 41 49.743 47.002 12.873 1.00 26.94 O ATOM 1269 CB ARG B 41 47.723 44.357 12.546 1.00 26.91 C ATOM 1270 H ARG B 41 46.654 46.662 12.145 1.00 0.00 H ATOM 1271 N TRP B 42 50.215 45.214 14.157 1.00 26.20 N ATOM 1272 CA TRP B 42 51.637 45.515 14.237 1.00 26.30 C ATOM 1273 C TRP B 42 52.389 44.231 14.544 1.00 29.08 C ATOM 1274 O TRP B 42 51.798 43.215 14.915 1.00 20.57 O ATOM 1275 CB TRP B 42 51.918 46.578 15.298 1.00 18.97 C ATOM 1276 CG TRP B 42 51.388 46.226 16.654 1.00 25.45 C ATOM 1277 CD1 TRP B 42 50.130 46.460 17.128 1.00 27.44 C ATOM 1278 CD2 TRP B 42 52.102 45.580 17.714 1.00 24.78 C ATOM 1279 NE1 TRP B 42 50.017 45.999 18.416 1.00 29.40 N ATOM 1280 CE2 TRP B 42 51.213 45.451 18.798 1.00 30.63 C ATOM 1281 CE3 TRP B 42 53.407 45.096 17.850 1.00 26.61 C ATOM 1282 CZ2 TRP B 42 51.587 44.865 20.005 1.00 31.98 C ATOM 1283 CZ3 TRP B 42 53.776 44.511 19.048 1.00 23.54 C ATOM 1284 CH2 TRP B 42 52.870 44.400 20.109 1.00 29.60 C ATOM 1285 HE1 TRP B 42 49.162 46.056 19.006 1.00 0.00 H ATOM 1286 H TRP B 42 49.846 44.372 14.644 1.00 0.00 H ATOM 1287 N LYS B 43 53.709 44.293 14.381 1.00 30.15 N ATOM 1288 CA LYS B 43 54.590 43.174 14.660 1.00 25.86 C ATOM 1289 C LYS B 43 55.693 43.624 15.607 1.00 22.20 C ATOM 1290 O LYS B 43 56.215 44.735 15.458 1.00 19.44 O ATOM 1291 CB LYS B 43 55.209 42.629 13.364 1.00 26.49 C ATOM 1292 H LYS B 43 54.127 45.182 14.039 1.00 0.00 H ATOM 1293 N PRO B 44 56.068 42.804 16.591 1.00 23.32 N ATOM 1294 CA PRO B 44 57.178 43.187 17.470 1.00 23.10 C ATOM 1295 C PRO B 44 58.500 43.222 16.720 1.00 20.58 C ATOM 1296 O PRO B 44 58.724 42.475 15.764 1.00 17.39 O ATOM 1297 CB PRO B 44 57.182 42.094 18.546 1.00 25.95 C ATOM 1298 CG PRO B 44 55.854 41.432 18.445 1.00 28.83 C ATOM 1299 CD PRO B 44 55.459 41.531 17.013 1.00 23.87 C ATOM 1300 N LYS B 45 59.384 44.105 17.178 1.00 17.56 N ATOM 1301 CA LYS B 45 60.706 44.253 16.589 1.00 17.23 C ATOM 1302 C LYS B 45 61.646 44.805 17.649 1.00 15.83 C ATOM 1303 O LYS B 45 61.217 45.403 18.638 1.00 17.75 O ATOM 1304 CB LYS B 45 60.671 45.173 15.360 1.00 19.40 C ATOM 1305 CG LYS B 45 61.964 45.223 14.559 1.00 20.40 C ATOM 1306 CD LYS B 45 61.762 45.976 13.254 1.00 24.14 C ATOM 1307 CE LYS B 45 63.074 46.240 12.530 1.00 25.78 C ATOM 1308 NZ LYS B 45 63.637 45.011 11.910 1.00 37.40 N ATOM 1309 HZ1 LYS B 45 63.815 44.301 12.649 1.00 0.00 H ATOM 1310 HZ2 LYS B 45 62.959 44.631 11.219 1.00 0.00 H ATOM 1311 HZ3 LYS B 45 64.530 45.244 11.430 1.00 0.00 H ATOM 1312 H LYS B 45 59.121 44.709 17.983 1.00 0.00 H ATOM 1313 N MET B 46 62.938 44.573 17.446 1.00 16.33 N ATOM 1314 CA MET B 46 63.973 45.140 18.299 1.00 18.42 C ATOM 1315 C MET B 46 64.998 45.823 17.407 1.00 18.17 C ATOM 1316 O MET B 46 65.424 45.255 16.396 1.00 19.35 O ATOM 1317 CB MET B 46 64.628 44.065 19.182 1.00 19.20 C ATOM 1318 CG MET B 46 63.940 43.899 20.545 1.00 18.62 C ATOM 1319 SD MET B 46 64.515 42.506 21.532 1.00 51.63 S ATOM 1320 CE MET B 46 65.930 43.223 22.372 1.00 23.67 C ATOM 1321 H MET B 46 63.220 43.965 16.650 1.00 0.00 H ATOM 1322 N ILE B 47 65.361 47.051 17.764 1.00 18.93 N ATOM 1323 CA ILE B 47 66.313 47.844 16.998 1.00 20.84 C ATOM 1324 C ILE B 47 67.445 48.256 17.925 1.00 17.32 C ATOM 1325 O ILE B 47 67.215 48.594 19.093 1.00 15.61 O ATOM 1326 CB ILE B 47 65.649 49.078 16.351 1.00 21.95 C ATOM 1327 CG1 ILE B 47 65.026 49.989 17.416 1.00 18.84 C ATOM 1328 CG2 ILE B 47 64.602 48.631 15.334 1.00 18.34 C ATOM 1329 CD1 ILE B 47 64.546 51.325 16.875 1.00 21.47 C ATOM 1330 H ILE B 47 64.948 47.462 18.625 1.00 0.00 H ATOM 1331 N GLY B 48 68.667 48.212 17.407 1.00 20.20 N ATOM 1332 CA GLY B 48 69.858 48.416 18.205 1.00 21.09 C ATOM 1333 C GLY B 48 70.586 49.686 17.813 1.00 15.30 C ATOM 1334 O GLY B 48 70.556 50.108 16.655 1.00 14.69 O ATOM 1335 H GLY B 48 68.773 48.024 16.390 1.00 0.00 H ATOM 1336 N GLY B 49 71.229 50.290 18.790 1.00 15.60 N ATOM 1337 CA GLY B 49 72.097 51.426 18.557 1.00 19.79 C ATOM 1338 C GLY B 49 73.039 51.562 19.727 1.00 17.36 C ATOM 1339 O GLY B 49 73.349 50.589 20.413 1.00 15.15 O ATOM 1340 H GLY B 49 71.110 49.940 19.762 1.00 0.00 H ATOM 1341 N ILE B 50 73.496 52.793 19.962 1.00 18.32 N ATOM 1342 CA ILE B 50 74.350 53.049 21.113 1.00 19.21 C ATOM 1343 C ILE B 50 73.556 52.785 22.383 1.00 17.65 C ATOM 1344 O ILE B 50 72.438 53.288 22.556 1.00 18.12 O ATOM 1345 CB ILE B 50 74.904 54.481 21.053 1.00 16.73 C ATOM 1346 CG1 ILE B 50 75.975 54.566 19.960 1.00 22.08 C ATOM 1347 CG2 ILE B 50 75.475 54.914 22.405 1.00 17.37 C ATOM 1348 CD1 ILE B 50 76.457 55.970 19.656 1.00 18.93 C ATOM 1349 H ILE B 50 73.242 53.572 19.321 1.00 0.00 H ATOM 1350 N GLY B 51 74.126 51.972 23.271 1.00 18.80 N ATOM 1351 CA GLY B 51 73.492 51.595 24.512 1.00 19.82 C ATOM 1352 C GLY B 51 72.786 50.255 24.478 1.00 25.11 C ATOM 1353 O GLY B 51 72.501 49.697 25.543 1.00 22.80 O ATOM 1354 H GLY B 51 75.071 51.592 23.061 1.00 0.00 H ATOM 1355 N GLY B 52 72.501 49.720 23.290 1.00 20.02 N ATOM 1356 CA GLY B 52 71.817 48.451 23.162 1.00 19.99 C ATOM 1357 C GLY B 52 70.542 48.580 22.345 1.00 16.66 C ATOM 1358 O GLY B 52 70.457 49.407 21.425 1.00 16.49 O ATOM 1359 H GLY B 52 72.779 50.231 22.428 1.00 0.00 H ATOM 1360 N PHE B 53 69.552 47.762 22.696 1.00 20.13 N ATOM 1361 CA PHE B 53 68.333 47.613 21.916 1.00 16.49 C ATOM 1362 C PHE B 53 67.123 48.116 22.693 1.00 21.50 C ATOM 1363 O PHE B 53 67.122 48.149 23.928 1.00 17.35 O ATOM 1364 CB PHE B 53 68.104 46.140 21.521 1.00 18.79 C ATOM 1365 CG PHE B 53 69.055 45.635 20.473 1.00 17.34 C ATOM 1366 CD1 PHE B 53 70.387 45.416 20.774 1.00 20.16 C ATOM 1367 CD2 PHE B 53 68.615 45.371 19.186 1.00 17.81 C ATOM 1368 CE1 PHE B 53 71.262 44.951 19.814 1.00 15.02 C ATOM 1369 CE2 PHE B 53 69.488 44.909 18.219 1.00 18.36 C ATOM 1370 CZ PHE B 53 70.815 44.697 18.536 1.00 16.16 C ATOM 1371 H PHE B 53 69.655 47.204 23.568 1.00 0.00 H ATOM 1372 N ILE B 54 66.089 48.512 21.951 1.00 18.89 N ATOM 1373 CA ILE B 54 64.773 48.778 22.515 1.00 18.78 C ATOM 1374 C ILE B 54 63.746 47.967 21.739 1.00 23.82 C ATOM 1375 O ILE B 54 63.936 47.650 20.559 1.00 17.14 O ATOM 1376 CB ILE B 54 64.403 50.279 22.495 1.00 17.71 C ATOM 1377 CG1 ILE B 54 64.383 50.823 21.065 1.00 16.69 C ATOM 1378 CG2 ILE B 54 65.370 51.069 23.362 1.00 24.00 C ATOM 1379 CD1 ILE B 54 63.743 52.195 20.951 1.00 21.95 C ATOM 1380 H ILE B 54 66.228 48.636 20.928 1.00 0.00 H ATOM 1381 N LYS B 55 62.653 47.620 22.415 1.00 18.88 N ATOM 1382 CA LYS B 55 61.539 46.923 21.787 1.00 17.05 C ATOM 1383 C LYS B 55 60.565 47.945 21.221 1.00 13.79 C ATOM 1384 O LYS B 55 60.223 48.920 21.897 1.00 15.98 O ATOM 1385 CB LYS B 55 60.826 46.016 22.792 1.00 14.54 C ATOM 1386 H LYS B 55 62.592 47.855 23.426 1.00 0.00 H ATOM 1387 N VAL B 56 60.121 47.719 19.982 1.00 17.29 N ATOM 1388 CA VAL B 56 59.222 48.640 19.300 1.00 14.42 C ATOM 1389 C VAL B 56 58.140 47.853 18.574 1.00 15.08 C ATOM 1390 O VAL B 56 58.260 46.650 18.337 1.00 14.94 O ATOM 1391 CB VAL B 56 59.961 49.558 18.297 1.00 14.43 C ATOM 1392 CG1 VAL B 56 61.051 50.358 18.999 1.00 16.50 C ATOM 1393 CG2 VAL B 56 60.553 48.755 17.146 1.00 16.64 C ATOM 1394 H VAL B 56 60.427 46.857 19.488 1.00 0.00 H ATOM 1395 N ARG B 57 57.078 48.563 18.210 1.00 16.90 N ATOM 1396 CA ARG B 57 55.981 48.002 17.436 1.00 14.70 C ATOM 1397 C ARG B 57 56.107 48.489 15.999 1.00 17.29 C ATOM 1398 O ARG B 57 56.197 49.697 15.755 1.00 17.20 O ATOM 1399 CB ARG B 57 54.638 48.406 18.040 1.00 17.94 C ATOM 1400 CG ARG B 57 54.546 48.089 19.518 1.00 23.05 C ATOM 1401 CD ARG B 57 53.122 48.199 20.044 1.00 29.19 C ATOM 1402 NE ARG B 57 52.546 49.529 19.859 1.00 28.81 N ATOM 1403 CZ ARG B 57 52.864 50.595 20.587 1.00 26.96 C ATOM 1404 NH1 ARG B 57 53.773 50.506 21.551 1.00 30.23 N ATOM 1405 NH2 ARG B 57 52.277 51.758 20.343 1.00 35.15 N ATOM 1406 HE ARG B 57 51.839 49.650 19.106 1.00 0.00 H ATOM 1407 HH12 ARG B 57 54.016 51.345 22.116 1.00 0.00 H ATOM 1408 HH11 ARG B 57 54.242 49.597 21.741 1.00 0.00 H ATOM 1409 HH22 ARG B 57 52.523 52.594 20.910 1.00 0.00 H ATOM 1410 HH21 ARG B 57 51.570 51.835 19.584 1.00 0.00 H ATOM 1411 H ARG B 57 57.028 49.563 18.490 1.00 0.00 H ATOM 1412 N GLN B 58 56.139 47.553 15.057 1.00 17.84 N ATOM 1413 CA GLN B 58 56.290 47.886 13.646 1.00 20.23 C ATOM 1414 C GLN B 58 54.917 47.972 12.992 1.00 25.96 C ATOM 1415 O GLN B 58 54.176 46.982 12.955 1.00 22.85 O ATOM 1416 CB GLN B 58 57.159 46.853 12.932 1.00 19.25 C ATOM 1417 CG GLN B 58 57.209 47.031 11.425 1.00 21.05 C ATOM 1418 CD GLN B 58 58.093 46.014 10.741 1.00 27.34 C ATOM 1419 OE1 GLN B 58 58.971 45.415 11.363 1.00 29.60 O ATOM 1420 NE2 GLN B 58 57.862 45.809 9.449 1.00 27.07 N ATOM 1421 HE22 GLN B 58 57.109 46.339 8.965 1.00 0.00 H ATOM 1422 HE21 GLN B 58 58.434 45.119 8.922 1.00 0.00 H ATOM 1423 H GLN B 58 56.054 46.554 15.334 1.00 0.00 H ATOM 1424 N TYR B 59 54.584 49.155 12.487 1.00 17.67 N ATOM 1425 CA TYR B 59 53.390 49.379 11.684 1.00 19.44 C ATOM 1426 C TYR B 59 53.806 49.601 10.237 1.00 25.51 C ATOM 1427 O TYR B 59 54.820 50.251 9.968 1.00 23.59 O ATOM 1428 CB TYR B 59 52.604 50.592 12.187 1.00 21.54 C ATOM 1429 CG TYR B 59 52.027 50.446 13.575 1.00 25.66 C ATOM 1430 CD1 TYR B 59 52.781 50.756 14.698 1.00 21.67 C ATOM 1431 CD2 TYR B 59 50.719 50.017 13.763 1.00 27.22 C ATOM 1432 CE1 TYR B 59 52.253 50.632 15.968 1.00 19.77 C ATOM 1433 CE2 TYR B 59 50.184 49.889 15.028 1.00 21.62 C ATOM 1434 CZ TYR B 59 50.950 50.196 16.125 1.00 23.59 C ATOM 1435 OH TYR B 59 50.405 50.064 17.380 1.00 27.10 O ATOM 1436 HH TYR B 59 49.613 50.653 17.458 1.00 0.00 H ATOM 1437 H TYR B 59 55.210 49.964 12.675 1.00 0.00 H ATOM 1438 N ASP B 60 53.025 49.062 9.306 1.00 23.06 N ATOM 1439 CA ASP B 60 53.346 49.131 7.889 1.00 26.36 C ATOM 1440 C ASP B 60 52.357 50.031 7.157 1.00 21.83 C ATOM 1441 O ASP B 60 51.192 50.155 7.545 1.00 28.08 O ATOM 1442 CB ASP B 60 53.342 47.735 7.257 1.00 37.17 C ATOM 1443 CG ASP B 60 54.354 46.800 7.897 1.00 44.84 C ATOM 1444 OD1 ASP B 60 55.509 47.225 8.113 1.00 40.09 O ATOM 1445 OD2 ASP B 60 53.992 45.640 8.189 1.00 40.02 O ATOM 1446 H ASP B 60 52.155 48.574 9.601 1.00 0.00 H ATOM 1447 N GLN B 61 52.843 50.659 6.088 1.00 24.34 N ATOM 1448 CA GLN B 61 52.020 51.511 5.227 1.00 29.28 C ATOM 1449 C GLN B 61 51.332 52.615 6.027 1.00 21.96 C ATOM 1450 O GLN B 61 50.136 52.874 5.882 1.00 27.33 O ATOM 1451 CB GLN B 61 51.002 50.672 4.451 1.00 30.11 C ATOM 1452 CG GLN B 61 51.647 49.682 3.501 1.00 23.88 C ATOM 1453 CD GLN B 61 52.734 50.320 2.656 1.00 35.44 C ATOM 1454 OE1 GLN B 61 53.924 50.160 2.929 1.00 47.42 O ATOM 1455 NE2 GLN B 61 52.328 51.064 1.634 1.00 40.62 N ATOM 1456 HE22 GLN B 61 51.312 51.171 1.440 1.00 0.00 H ATOM 1457 HE21 GLN B 61 53.026 51.539 1.027 1.00 0.00 H ATOM 1458 H GLN B 61 53.849 50.539 5.855 1.00 0.00 H ATOM 1459 N ILE B 62 52.111 53.279 6.872 1.00 21.13 N ATOM 1460 CA ILE B 62 51.637 54.436 7.619 1.00 23.14 C ATOM 1461 C ILE B 62 51.980 55.685 6.823 1.00 22.57 C ATOM 1462 O ILE B 62 53.113 55.841 6.355 1.00 26.53 O ATOM 1463 CB ILE B 62 52.267 54.486 9.020 1.00 25.62 C ATOM 1464 CG1 ILE B 62 51.955 53.202 9.796 1.00 22.22 C ATOM 1465 CG2 ILE B 62 51.782 55.708 9.783 1.00 27.73 C ATOM 1466 CD1 ILE B 62 50.473 52.936 10.013 1.00 24.83 C ATOM 1467 H ILE B 62 53.093 52.963 7.005 1.00 0.00 H ATOM 1468 N LEU B 63 51.002 56.571 6.669 1.00 24.07 N ATOM 1469 CA LEU B 63 51.195 57.827 5.959 1.00 33.14 C ATOM 1470 C LEU B 63 51.778 58.875 6.900 1.00 23.15 C ATOM 1471 O LEU B 63 51.217 59.141 7.968 1.00 23.65 O ATOM 1472 CB LEU B 63 49.870 58.320 5.376 1.00 31.95 C ATOM 1473 H LEU B 63 50.066 56.360 7.070 1.00 0.00 H ATOM 1474 N ILE B 64 52.905 59.459 6.502 1.00 28.06 N ATOM 1475 CA ILE B 64 53.523 60.558 7.230 1.00 25.82 C ATOM 1476 C ILE B 64 53.768 61.693 6.250 1.00 29.61 C ATOM 1477 O ILE B 64 54.176 61.461 5.106 1.00 35.76 O ATOM 1478 CB ILE B 64 54.847 60.147 7.910 1.00 30.57 C ATOM 1479 CG1 ILE B 64 54.592 59.084 8.981 1.00 39.27 C ATOM 1480 CG2 ILE B 64 55.535 61.376 8.519 1.00 31.23 C ATOM 1481 CD1 ILE B 64 55.833 58.682 9.773 1.00 31.56 C ATOM 1482 H ILE B 64 53.364 59.116 5.634 1.00 0.00 H ATOM 1483 N GLU B 65 53.522 62.920 6.701 1.00 23.65 N ATOM 1484 CA GLU B 65 53.844 64.120 5.941 1.00 24.70 C ATOM 1485 C GLU B 65 55.017 64.817 6.617 1.00 24.75 C ATOM 1486 O GLU B 65 54.939 65.163 7.800 1.00 24.30 O ATOM 1487 CB GLU B 65 52.637 65.052 5.849 1.00 25.72 C ATOM 1488 CG GLU B 65 52.847 66.227 4.923 1.00 25.97 C ATOM 1489 CD GLU B 65 51.593 67.058 4.753 1.00 26.38 C ATOM 1490 OE1 GLU B 65 50.531 66.469 4.461 1.00 22.47 O ATOM 1491 OE2 GLU B 65 51.667 68.292 4.919 1.00 24.40 O ATOM 1492 H GLU B 65 53.081 63.027 7.637 1.00 0.00 H ATOM 1493 N ILE B 66 56.095 65.019 5.865 1.00 22.14 N ATOM 1494 CA ILE B 66 57.339 65.587 6.375 1.00 25.89 C ATOM 1495 C ILE B 66 57.584 66.885 5.616 1.00 26.33 C ATOM 1496 O ILE B 66 57.952 66.861 4.434 1.00 27.40 O ATOM 1497 CB ILE B 66 58.518 64.614 6.210 1.00 24.74 C ATOM 1498 CG1 ILE B 66 58.195 63.259 6.846 1.00 29.34 C ATOM 1499 CG2 ILE B 66 59.785 65.183 6.836 1.00 28.62 C ATOM 1500 CD1 ILE B 66 59.046 62.119 6.326 1.00 24.22 C ATOM 1501 H ILE B 66 56.049 64.758 4.859 1.00 0.00 H ATOM 1502 N CYS B 67 57.375 68.018 6.284 1.00 38.08 N ATOM 1503 CA CYS B 67 57.540 69.336 5.666 1.00 23.69 C ATOM 1504 C CYS B 67 56.720 69.453 4.385 1.00 32.11 C ATOM 1505 O CYS B 67 57.221 69.854 3.332 1.00 33.72 O ATOM 1506 CB CYS B 67 59.011 69.631 5.373 1.00 41.48 C ATOM 1507 SG CYS B 67 60.030 69.875 6.809 1.00 48.79 S ATOM 1508 H CYS B 67 57.084 67.965 7.281 1.00 0.00 H ATOM 1509 N GLY B 68 55.442 69.096 4.475 1.00 30.94 N ATOM 1510 CA GLY B 68 54.577 69.144 3.316 1.00 33.87 C ATOM 1511 C GLY B 68 54.840 68.082 2.272 1.00 31.00 C ATOM 1512 O GLY B 68 54.134 68.051 1.257 1.00 32.78 O ATOM 1513 H GLY B 68 55.060 68.779 5.389 1.00 0.00 H ATOM 1514 N HIS B 69 55.827 67.213 2.479 1.00 24.49 N ATOM 1515 CA HIS B 69 56.118 66.116 1.565 1.00 23.17 C ATOM 1516 C HIS B 69 55.500 64.839 2.123 1.00 28.34 C ATOM 1517 O HIS B 69 55.814 64.433 3.246 1.00 27.87 O ATOM 1518 CB HIS B 69 57.625 65.944 1.372 1.00 30.03 C ATOM 1519 CG HIS B 69 58.277 67.081 0.646 1.00 28.16 C ATOM 1520 ND1 HIS B 69 58.300 68.367 1.141 1.00 28.70 N ATOM 1521 CD2 HIS B 69 58.933 67.122 -0.537 1.00 22.37 C ATOM 1522 CE1 HIS B 69 58.941 69.151 0.294 1.00 23.45 C ATOM 1523 NE2 HIS B 69 59.338 68.420 -0.732 1.00 29.61 N ATOM 1524 H HIS B 69 56.416 67.322 3.329 1.00 0.00 H ATOM 1525 N LYS B 70 54.628 64.211 1.340 1.00 23.70 N ATOM 1526 CA LYS B 70 53.941 63.009 1.789 1.00 22.10 C ATOM 1527 C LYS B 70 54.794 61.774 1.545 1.00 16.35 C ATOM 1528 O LYS B 70 55.490 61.666 0.531 1.00 22.85 O ATOM 1529 CB LYS B 70 52.595 62.857 1.079 1.00 21.25 C ATOM 1530 CG LYS B 70 51.554 63.899 1.484 1.00 28.43 C ATOM 1531 CD LYS B 70 50.190 63.600 0.866 1.00 32.10 C ATOM 1532 CE LYS B 70 49.147 64.638 1.255 1.00 29.17 C ATOM 1533 NZ LYS B 70 49.534 66.011 0.832 1.00 38.54 N ATOM 1534 HZ1 LYS B 70 50.434 66.271 1.285 1.00 0.00 H ATOM 1535 HZ2 LYS B 70 49.645 66.036 -0.202 1.00 0.00 H ATOM 1536 HZ3 LYS B 70 48.793 66.682 1.119 1.00 0.00 H ATOM 1537 H LYS B 70 54.433 64.585 0.389 1.00 0.00 H ATOM 1538 N ALA B 71 54.735 60.840 2.490 1.00 24.75 N ATOM 1539 CA ALA B 71 55.407 59.557 2.375 1.00 24.08 C ATOM 1540 C ALA B 71 54.525 58.502 3.022 1.00 29.79 C ATOM 1541 O ALA B 71 53.593 58.816 3.767 1.00 30.30 O ATOM 1542 CB ALA B 71 56.794 59.572 3.034 1.00 27.14 C ATOM 1543 H ALA B 71 54.183 61.037 3.349 1.00 0.00 H ATOM 1544 N ILE B 72 54.817 57.242 2.718 1.00 23.34 N ATOM 1545 CA ILE B 72 54.072 56.131 3.298 1.00 24.02 C ATOM 1546 C ILE B 72 54.998 54.929 3.387 1.00 19.44 C ATOM 1547 O ILE B 72 55.644 54.552 2.405 1.00 22.86 O ATOM 1548 CB ILE B 72 52.801 55.801 2.488 1.00 29.05 C ATOM 1549 CG1 ILE B 72 52.112 54.565 3.074 1.00 34.09 C ATOM 1550 CG2 ILE B 72 53.134 55.587 1.022 1.00 33.54 C ATOM 1551 CD1 ILE B 72 50.635 54.473 2.741 1.00 39.65 C ATOM 1552 H ILE B 72 55.592 57.044 2.053 1.00 0.00 H ATOM 1553 N GLY B 73 55.070 54.333 4.568 1.00 23.40 N ATOM 1554 CA GLY B 73 55.941 53.194 4.758 1.00 26.11 C ATOM 1555 C GLY B 73 55.935 52.740 6.197 1.00 19.62 C ATOM 1556 O GLY B 73 55.007 53.032 6.954 1.00 23.55 O ATOM 1557 H GLY B 73 54.498 54.686 5.362 1.00 0.00 H ATOM 1558 N THR B 74 56.994 52.030 6.568 1.00 14.86 N ATOM 1559 CA THR B 74 57.073 51.447 7.898 1.00 22.66 C ATOM 1560 C THR B 74 57.343 52.526 8.936 1.00 21.26 C ATOM 1561 O THR B 74 58.211 53.385 8.748 1.00 21.32 O ATOM 1562 CB THR B 74 58.170 50.385 7.940 1.00 28.56 C ATOM 1563 OG1 THR B 74 57.856 49.342 7.009 1.00 31.39 O ATOM 1564 CG2 THR B 74 58.292 49.791 9.334 1.00 27.98 C ATOM 1565 HG1 THR B 74 58.566 48.653 7.035 1.00 0.00 H ATOM 1566 H THR B 74 57.777 51.889 5.899 1.00 0.00 H ATOM 1567 N VAL B 75 56.593 52.481 10.034 1.00 19.69 N ATOM 1568 CA VAL B 75 56.826 53.342 11.185 1.00 16.53 C ATOM 1569 C VAL B 75 56.924 52.455 12.418 1.00 21.02 C ATOM 1570 O VAL B 75 55.985 51.712 12.731 1.00 19.81 O ATOM 1571 CB VAL B 75 55.717 54.393 11.356 1.00 28.91 C ATOM 1572 CG1 VAL B 75 55.927 55.202 12.632 1.00 25.25 C ATOM 1573 CG2 VAL B 75 55.681 55.309 10.147 1.00 23.73 C ATOM 1574 H VAL B 75 55.806 51.802 10.072 1.00 0.00 H ATOM 1575 N LEU B 76 58.059 52.522 13.109 1.00 15.21 N ATOM 1576 CA LEU B 76 58.232 51.832 14.376 1.00 16.93 C ATOM 1577 C LEU B 76 57.827 52.754 15.519 1.00 20.71 C ATOM 1578 O LEU B 76 58.064 53.965 15.469 1.00 20.98 O ATOM 1579 CB LEU B 76 59.682 51.382 14.549 1.00 18.92 C ATOM 1580 CG LEU B 76 60.306 50.660 13.349 1.00 16.30 C ATOM 1581 CD1 LEU B 76 61.771 50.360 13.622 1.00 21.17 C ATOM 1582 CD2 LEU B 76 59.544 49.386 13.008 1.00 16.95 C ATOM 1583 H LEU B 76 58.847 53.086 12.731 1.00 0.00 H ATOM 1584 N VAL B 77 57.204 52.179 16.545 1.00 14.30 N ATOM 1585 CA VAL B 77 56.748 52.932 17.709 1.00 13.66 C ATOM 1586 C VAL B 77 57.272 52.253 18.965 1.00 16.18 C ATOM 1587 O VAL B 77 57.092 51.044 19.145 1.00 16.90 O ATOM 1588 CB VAL B 77 55.212 53.043 17.750 1.00 21.32 C ATOM 1589 CG1 VAL B 77 54.760 53.806 18.993 1.00 23.88 C ATOM 1590 CG2 VAL B 77 54.701 53.728 16.492 1.00 19.28 C ATOM 1591 H VAL B 77 57.036 51.153 16.516 1.00 0.00 H ATOM 1592 N GLY B 78 57.910 53.032 19.835 1.00 17.48 N ATOM 1593 CA GLY B 78 58.466 52.508 21.059 1.00 18.71 C ATOM 1594 C GLY B 78 59.109 53.586 21.905 1.00 22.32 C ATOM 1595 O GLY B 78 59.018 54.780 21.606 1.00 18.25 O ATOM 1596 H GLY B 78 58.011 54.046 19.627 1.00 0.00 H ATOM 1597 N PRO B 79 59.779 53.179 22.988 1.00 17.87 N ATOM 1598 CA PRO B 79 60.363 54.144 23.937 1.00 22.65 C ATOM 1599 C PRO B 79 61.647 54.784 23.416 1.00 28.16 C ATOM 1600 O PRO B 79 62.726 54.658 24.004 1.00 18.78 O ATOM 1601 CB PRO B 79 60.594 53.276 25.180 1.00 20.46 C ATOM 1602 CG PRO B 79 60.850 51.917 24.640 1.00 23.27 C ATOM 1603 CD PRO B 79 59.953 51.786 23.441 1.00 22.63 C ATOM 1604 N THR B 80 61.533 55.489 22.293 1.00 23.01 N ATOM 1605 CA THR B 80 62.674 56.249 21.801 1.00 22.05 C ATOM 1606 C THR B 80 62.696 57.628 22.453 1.00 17.04 C ATOM 1607 O THR B 80 61.640 58.232 22.662 1.00 20.51 O ATOM 1608 CB THR B 80 62.621 56.401 20.280 1.00 24.15 C ATOM 1609 OG1 THR B 80 63.729 57.196 19.840 1.00 20.54 O ATOM 1610 CG2 THR B 80 61.323 57.062 19.829 1.00 19.39 C ATOM 1611 HG1 THR B 80 63.681 58.090 20.263 1.00 0.00 H ATOM 1612 H THR B 80 60.634 55.497 21.770 1.00 0.00 H ATOM 1613 N PRO B 81 63.868 58.158 22.814 1.00 18.06 N ATOM 1614 CA PRO B 81 63.905 59.503 23.410 1.00 22.09 C ATOM 1615 C PRO B 81 63.610 60.614 22.422 1.00 26.56 C ATOM 1616 O PRO B 81 63.447 61.766 22.844 1.00 23.08 O ATOM 1617 CB PRO B 81 65.337 59.609 23.951 1.00 25.73 C ATOM 1618 CG PRO B 81 66.127 58.688 23.102 1.00 26.28 C ATOM 1619 CD PRO B 81 65.208 57.549 22.744 1.00 21.13 C ATOM 1620 N VAL B 82 63.540 60.312 21.130 1.00 18.62 N ATOM 1621 CA VAL B 82 63.380 61.323 20.091 1.00 20.57 C ATOM 1622 C VAL B 82 62.636 60.688 18.927 1.00 15.62 C ATOM 1623 O VAL B 82 62.843 59.511 18.612 1.00 20.88 O ATOM 1624 CB VAL B 82 64.746 61.877 19.627 1.00 20.96 C ATOM 1625 CG1 VAL B 82 64.554 63.017 18.635 1.00 28.59 C ATOM 1626 CG2 VAL B 82 65.591 62.340 20.814 1.00 28.65 C ATOM 1627 H VAL B 82 63.602 59.313 20.848 1.00 0.00 H ATOM 1628 N ASN B 83 61.770 61.469 18.285 1.00 17.10 N ATOM 1629 CA ASN B 83 61.161 61.031 17.036 1.00 18.10 C ATOM 1630 C ASN B 83 62.209 61.076 15.929 1.00 18.81 C ATOM 1631 O ASN B 83 62.921 62.075 15.775 1.00 14.31 O ATOM 1632 CB ASN B 83 59.967 61.914 16.677 1.00 17.71 C ATOM 1633 CG ASN B 83 58.822 61.802 17.676 1.00 17.56 C ATOM 1634 OD1 ASN B 83 58.407 60.705 18.054 1.00 19.71 O ATOM 1635 ND2 ASN B 83 58.307 62.946 18.108 1.00 21.18 N ATOM 1636 HD22 ASN B 83 58.687 63.851 17.763 1.00 0.00 H ATOM 1637 HD21 ASN B 83 57.523 62.938 18.791 1.00 0.00 H ATOM 1638 H ASN B 83 61.526 62.400 18.679 1.00 0.00 H ATOM 1639 N ILE B 84 62.306 59.995 15.158 1.00 14.97 N ATOM 1640 CA ILE B 84 63.381 59.813 14.189 1.00 12.98 C ATOM 1641 C ILE B 84 62.776 59.438 12.845 1.00 17.23 C ATOM 1642 O ILE B 84 62.103 58.407 12.730 1.00 14.60 O ATOM 1643 CB ILE B 84 64.377 58.737 14.651 1.00 15.62 C ATOM 1644 CG1 ILE B 84 65.170 59.247 15.854 1.00 17.84 C ATOM 1645 CG2 ILE B 84 65.318 58.322 13.512 1.00 17.95 C ATOM 1646 CD1 ILE B 84 65.962 58.178 16.563 1.00 21.52 C ATOM 1647 H ILE B 84 61.586 59.250 15.250 1.00 0.00 H ATOM 1648 N ILE B 85 63.024 60.263 11.830 1.00 14.40 N ATOM 1649 CA ILE B 85 62.695 59.918 10.452 1.00 15.54 C ATOM 1650 C ILE B 85 63.908 59.227 9.846 1.00 15.02 C ATOM 1651 O ILE B 85 64.989 59.820 9.745 1.00 15.98 O ATOM 1652 CB ILE B 85 62.303 61.155 9.631 1.00 13.47 C ATOM 1653 CG1 ILE B 85 61.163 61.927 10.302 1.00 14.44 C ATOM 1654 CG2 ILE B 85 61.911 60.739 8.214 1.00 14.80 C ATOM 1655 CD1 ILE B 85 59.889 61.128 10.507 1.00 21.19 C ATOM 1656 H ILE B 85 63.467 61.183 12.026 1.00 0.00 H ATOM 1657 N GLY B 86 63.727 57.972 9.437 1.00 14.77 N ATOM 1658 CA GLY B 86 64.803 57.168 8.908 1.00 13.95 C ATOM 1659 C GLY B 86 64.811 57.136 7.387 1.00 11.82 C ATOM 1660 O GLY B 86 63.958 57.707 6.712 1.00 14.62 O ATOM 1661 H GLY B 86 62.776 57.556 9.501 1.00 0.00 H ATOM 1662 N ARG B 87 65.806 56.422 6.855 1.00 14.74 N ATOM 1663 CA ARG B 87 66.018 56.393 5.411 1.00 14.60 C ATOM 1664 C ARG B 87 64.817 55.831 4.661 1.00 18.94 C ATOM 1665 O ARG B 87 64.566 56.226 3.516 1.00 18.09 O ATOM 1666 CB ARG B 87 67.266 55.574 5.078 1.00 13.38 C ATOM 1667 CG ARG B 87 68.561 56.194 5.563 1.00 13.83 C ATOM 1668 CD ARG B 87 69.775 55.456 5.030 1.00 17.89 C ATOM 1669 NE ARG B 87 69.876 54.094 5.555 1.00 17.48 N ATOM 1670 CZ ARG B 87 69.538 52.986 4.898 1.00 22.00 C ATOM 1671 NH1 ARG B 87 69.065 53.037 3.660 1.00 18.83 N ATOM 1672 NH2 ARG B 87 69.679 51.808 5.488 1.00 19.37 N ATOM 1673 HE ARG B 87 70.242 53.982 6.522 1.00 0.00 H ATOM 1674 HH12 ARG B 87 68.807 52.159 3.165 1.00 0.00 H ATOM 1675 HH11 ARG B 87 68.952 53.955 3.184 1.00 0.00 H ATOM 1676 HH22 ARG B 87 69.417 50.938 4.982 1.00 0.00 H ATOM 1677 HH21 ARG B 87 70.051 51.753 6.458 1.00 0.00 H ATOM 1678 H ARG B 87 66.438 55.879 7.478 1.00 0.00 H ATOM 1679 N ASN B 88 64.068 54.910 5.274 1.00 14.35 N ATOM 1680 CA ASN B 88 62.937 54.314 4.573 1.00 15.71 C ATOM 1681 C ASN B 88 61.939 55.373 4.122 1.00 16.91 C ATOM 1682 O ASN B 88 61.256 55.189 3.109 1.00 20.40 O ATOM 1683 CB ASN B 88 62.251 53.272 5.458 1.00 12.46 C ATOM 1684 CG ASN B 88 61.428 53.891 6.569 1.00 19.59 C ATOM 1685 OD1 ASN B 88 61.915 54.720 7.337 1.00 20.23 O ATOM 1686 ND2 ASN B 88 60.165 53.488 6.659 1.00 21.25 N ATOM 1687 HD22 ASN B 88 59.794 52.785 5.988 1.00 0.00 H ATOM 1688 HD21 ASN B 88 59.547 53.876 7.400 1.00 0.00 H ATOM 1689 H ASN B 88 64.291 54.619 6.247 1.00 0.00 H ATOM 1690 N LEU B 89 61.843 56.487 4.847 1.00 16.44 N ATOM 1691 CA LEU B 89 60.975 57.585 4.441 1.00 14.16 C ATOM 1692 C LEU B 89 61.735 58.774 3.868 1.00 18.35 C ATOM 1693 O LEU B 89 61.164 59.526 3.071 1.00 18.44 O ATOM 1694 CB LEU B 89 60.124 58.054 5.627 1.00 16.61 C ATOM 1695 CG LEU B 89 59.193 56.999 6.238 1.00 22.05 C ATOM 1696 CD1 LEU B 89 58.324 57.629 7.314 1.00 24.40 C ATOM 1697 CD2 LEU B 89 58.323 56.324 5.184 1.00 17.42 C ATOM 1698 H LEU B 89 62.399 56.575 5.721 1.00 0.00 H ATOM 1699 N LEU B 90 63.005 58.966 4.241 1.00 13.43 N ATOM 1700 CA LEU B 90 63.768 60.076 3.673 1.00 14.85 C ATOM 1701 C LEU B 90 63.934 59.926 2.166 1.00 17.85 C ATOM 1702 O LEU B 90 63.924 60.927 1.439 1.00 19.72 O ATOM 1703 CB LEU B 90 65.139 60.184 4.338 1.00 12.36 C ATOM 1704 CG LEU B 90 65.187 60.567 5.816 1.00 12.60 C ATOM 1705 CD1 LEU B 90 66.611 60.416 6.338 1.00 14.47 C ATOM 1706 CD2 LEU B 90 64.691 61.980 6.046 1.00 15.54 C ATOM 1707 H LEU B 90 63.448 58.328 4.933 1.00 0.00 H ATOM 1708 N THR B 91 64.098 58.693 1.678 1.00 17.46 N ATOM 1709 CA THR B 91 64.161 58.475 0.236 1.00 18.97 C ATOM 1710 C THR B 91 62.877 58.931 -0.441 1.00 23.08 C ATOM 1711 O THR B 91 62.910 59.503 -1.538 1.00 24.22 O ATOM 1712 CB THR B 91 64.412 56.997 -0.074 1.00 18.17 C ATOM 1713 OG1 THR B 91 63.363 56.201 0.491 1.00 21.65 O ATOM 1714 CG2 THR B 91 65.753 56.538 0.473 1.00 19.76 C ATOM 1715 HG1 THR B 91 63.342 56.333 1.472 1.00 0.00 H ATOM 1716 H THR B 91 64.181 57.885 2.328 1.00 0.00 H ATOM 1717 N GLN B 92 61.734 58.690 0.200 1.00 21.45 N ATOM 1718 CA GLN B 92 60.454 58.988 -0.422 1.00 17.32 C ATOM 1719 C GLN B 92 60.206 60.482 -0.561 1.00 27.70 C ATOM 1720 O GLN B 92 59.356 60.881 -1.362 1.00 25.89 O ATOM 1721 CB GLN B 92 59.327 58.344 0.380 1.00 21.92 C ATOM 1722 CG GLN B 92 59.391 56.827 0.383 1.00 25.30 C ATOM 1723 CD GLN B 92 58.178 56.193 1.028 1.00 29.68 C ATOM 1724 OE1 GLN B 92 57.069 56.720 0.943 1.00 25.85 O ATOM 1725 NE2 GLN B 92 58.383 55.057 1.686 1.00 31.47 N ATOM 1726 HE22 GLN B 92 59.338 54.648 1.732 1.00 0.00 H ATOM 1727 HE21 GLN B 92 57.589 54.577 2.155 1.00 0.00 H ATOM 1728 H GLN B 92 61.758 58.284 1.157 1.00 0.00 H ATOM 1729 N ILE B 93 60.919 61.316 0.196 1.00 24.12 N ATOM 1730 CA ILE B 93 60.786 62.763 0.074 1.00 23.29 C ATOM 1731 C ILE B 93 61.935 63.371 -0.721 1.00 18.80 C ATOM 1732 O ILE B 93 62.037 64.598 -0.816 1.00 30.38 O ATOM 1733 CB ILE B 93 60.655 63.426 1.456 1.00 24.94 C ATOM 1734 CG1 ILE B 93 61.930 63.243 2.284 1.00 24.41 C ATOM 1735 CG2 ILE B 93 59.450 62.846 2.196 1.00 21.60 C ATOM 1736 CD1 ILE B 93 61.946 64.059 3.563 1.00 25.54 C ATOM 1737 H ILE B 93 61.587 60.925 0.891 1.00 0.00 H ATOM 1738 N GLY B 94 62.796 62.542 -1.304 1.00 26.55 N ATOM 1739 CA GLY B 94 63.875 63.038 -2.136 1.00 31.41 C ATOM 1740 C GLY B 94 65.011 63.670 -1.366 1.00 26.27 C ATOM 1741 O GLY B 94 65.697 64.548 -1.897 1.00 27.91 O ATOM 1742 H GLY B 94 62.693 61.517 -1.160 1.00 0.00 H ATOM 1743 N CYS B 95 65.234 63.242 -0.126 1.00 25.63 N ATOM 1744 CA CYS B 95 66.256 63.848 0.716 1.00 20.07 C ATOM 1745 C CYS B 95 67.621 63.256 0.399 1.00 23.48 C ATOM 1746 O CYS B 95 67.773 62.033 0.303 1.00 24.87 O ATOM 1747 CB CYS B 95 65.914 63.647 2.193 1.00 26.85 C ATOM 1748 SG CYS B 95 67.063 64.439 3.337 1.00 23.07 S ATOM 1749 H CYS B 95 64.665 62.457 0.250 1.00 0.00 H ATOM 1750 N THR B 96 68.612 64.130 0.237 1.00 18.69 N ATOM 1751 CA THR B 96 69.980 63.733 -0.055 1.00 18.83 C ATOM 1752 C THR B 96 70.933 64.390 0.934 1.00 16.39 C ATOM 1753 O THR B 96 70.613 65.401 1.563 1.00 20.19 O ATOM 1754 CB THR B 96 70.391 64.119 -1.486 1.00 27.09 C ATOM 1755 OG1 THR B 96 70.174 65.521 -1.691 1.00 21.03 O ATOM 1756 CG2 THR B 96 69.587 63.334 -2.510 1.00 31.81 C ATOM 1757 HG1 THR B 96 69.215 65.728 -1.558 1.00 0.00 H ATOM 1758 H THR B 96 68.398 65.144 0.323 1.00 0.00 H ATOM 1759 N LEU B 97 72.111 63.787 1.068 1.00 17.56 N ATOM 1760 CA LEU B 97 73.253 64.415 1.715 1.00 22.38 C ATOM 1761 C LEU B 97 74.132 65.038 0.643 1.00 24.18 C ATOM 1762 O LEU B 97 74.343 64.444 -0.418 1.00 25.08 O ATOM 1763 CB LEU B 97 74.071 63.406 2.523 1.00 18.46 C ATOM 1764 CG LEU B 97 73.488 62.916 3.843 1.00 17.32 C ATOM 1765 CD1 LEU B 97 74.256 61.688 4.321 1.00 21.64 C ATOM 1766 CD2 LEU B 97 73.539 64.016 4.883 1.00 20.48 C ATOM 1767 H LEU B 97 72.221 62.823 0.693 1.00 0.00 H ATOM 1768 N ASN B 98 74.643 66.236 0.919 1.00 23.29 N ATOM 1769 CA ASN B 98 75.437 66.959 -0.065 1.00 23.36 C ATOM 1770 C ASN B 98 76.615 67.637 0.612 1.00 21.15 C ATOM 1771 O ASN B 98 76.437 68.356 1.598 1.00 23.23 O ATOM 1772 CB ASN B 98 74.588 68.005 -0.793 1.00 23.23 C ATOM 1773 CG ASN B 98 73.352 67.410 -1.430 1.00 23.86 C ATOM 1774 OD1 ASN B 98 72.334 67.205 -0.768 1.00 23.68 O ATOM 1775 ND2 ASN B 98 73.431 67.135 -2.724 1.00 25.71 N ATOM 1776 HD22 ASN B 98 74.312 67.325 -3.243 1.00 0.00 H ATOM 1777 HD21 ASN B 98 72.612 66.729 -3.220 1.00 0.00 H ATOM 1778 H ASN B 98 74.472 66.662 1.852 1.00 0.00 H ATOM 1779 N PHE B 99 77.810 67.405 0.076 1.00 22.46 N ATOM 1780 CA PHE B 99 78.997 68.149 0.480 1.00 20.52 C ATOM 1781 C PHE B 99 80.044 68.101 -0.626 1.00 35.39 C ATOM 1782 O PHE B 99 81.122 68.685 -0.510 1.00 27.58 O ATOM 1783 CB PHE B 99 79.577 67.605 1.790 1.00 24.81 C ATOM 1784 CG PHE B 99 80.072 66.191 1.706 1.00 21.68 C ATOM 1785 CD1 PHE B 99 79.234 65.132 2.007 1.00 24.03 C ATOM 1786 CD2 PHE B 99 81.385 65.921 1.355 1.00 23.88 C ATOM 1787 CE1 PHE B 99 79.688 63.834 1.945 1.00 23.14 C ATOM 1788 CE2 PHE B 99 81.846 64.621 1.288 1.00 27.54 C ATOM 1789 CZ PHE B 99 80.999 63.576 1.585 1.00 29.69 C ATOM 1790 OXT PHE B 99 79.826 67.480 -1.667 1.00 31.80 O ATOM 1791 H PHE B 99 77.900 66.670 -0.654 1.00 0.00 H TER 1792 PHE B 99 HETATM 1793 O HOH 1 59.664 61.936 24.562 1.00 39.50 O HETATM 1794 O HOH 2 61.451 71.615 16.445 1.00 33.20 O HETATM 1795 O HOH 3 71.629 52.682 9.457 1.00 33.93 O HETATM 1796 O HOH 4 46.457 67.082 15.370 1.00 31.30 O HETATM 1797 O HOH 5 81.808 70.561 0.857 1.00 30.40 O HETATM 1798 O HOH 6 60.977 63.824 19.352 1.00 33.85 O HETATM 1799 O HOH 7 56.983 62.620 -1.155 1.00 29.56 O HETATM 1800 O HOH 8 71.839 74.504 11.274 1.00 20.04 O HETATM 1801 O HOH 9 47.657 49.369 17.187 1.00 29.90 O HETATM 1802 O HOH 10 57.953 48.648 23.041 1.00 35.23 O HETATM 1803 O HOH 11 69.605 71.332 11.520 1.00 21.00 O HETATM 1804 O HOH 12 60.747 53.200 1.440 1.00 37.67 O HETATM 1805 O HOH 13 67.908 66.192 -2.883 1.00 22.33 O HETATM 1806 O HOH 14 49.211 64.220 4.964 1.00 38.55 O HETATM 1807 O HOH 15 50.791 47.317 10.447 1.00 35.14 O HETATM 1808 O HOH 16 49.253 59.057 22.606 1.00 40.63 O HETATM 1809 O HOH 17 67.034 71.989 15.985 1.00 22.71 O HETATM 1810 O HOH 18 58.182 39.905 15.154 1.00 31.31 O HETATM 1811 O HOH 19 71.437 54.578 7.777 1.00 18.06 O HETATM 1812 O HOH 20 61.825 66.395 -2.829 1.00 35.52 O HETATM 1813 O HOH 21 55.447 49.835 5.147 1.00 24.49 O HETATM 1814 O HOH 22 55.044 70.197 16.035 1.00 29.08 O HETATM 1815 O HOH 23 65.243 49.185 11.713 1.00 24.08 O HETATM 1816 O HOH 24 59.676 72.687 13.035 1.00 36.30 O HETATM 1817 O HOH 25 59.388 71.724 9.972 1.00 25.16 O HETATM 1818 O HOH 26 71.726 76.779 3.812 1.00 32.88 O HETATM 1819 O HOH 27 67.585 59.654 -1.071 1.00 21.16 O HETATM 1820 O HOH 28 56.621 53.581 0.017 1.00 48.77 O HETATM 1821 O HOH 29 64.824 65.305 -4.404 1.00 23.07 O HETATM 1822 O HOH 30 70.340 63.515 23.506 1.00 40.76 O HETATM 1823 O HOH 31 66.004 75.947 1.966 1.00 42.75 O HETATM 1824 O HOH 32 67.496 44.496 14.720 1.00 33.40 O HETATM 1825 O HOH 33 48.979 58.562 9.506 1.00 31.09 O HETATM 1826 O HOH 34 68.148 49.082 26.357 1.00 32.29 O HETATM 1827 O HOH 35 58.944 51.635 4.594 1.00 21.04 O HETATM 1828 O HOH 36 69.581 75.307 8.299 1.00 37.65 O HETATM 1829 O HOH 37 62.618 48.212 25.222 1.00 26.08 O HETATM 1830 O HOH 38 69.720 46.363 25.201 1.00 30.81 O HETATM 1831 O HOH 39 50.303 52.387 24.332 1.00 42.53 O HETATM 1832 O HOH 40 55.594 60.149 18.606 1.00 24.36 O HETATM 1833 O HOH 41 65.580 71.520 10.533 1.00 26.08 O HETATM 1834 O HOH 42 69.821 52.114 11.774 1.00 20.84 O HETATM 1835 O HOH 43 69.085 47.084 14.763 1.00 23.63 O HETATM 1836 O HOH 44 57.153 66.172 19.025 1.00 21.04 O HETATM 1837 O HOH 45 82.910 67.924 -2.694 1.00 43.72 O HETATM 1838 O HOH 46 65.964 66.628 20.014 1.00 28.02 O HETATM 1839 O HOH 47 69.806 76.390 5.592 1.00 33.88 O HETATM 1840 O HOH 48 65.978 51.504 4.986 1.00 23.98 O HETATM 1841 O HOH 49 70.547 50.180 13.669 1.00 24.48 O HETATM 1842 O HOH 50 49.671 62.056 7.718 1.00 34.55 O HETATM 1843 O HOH 51 48.931 43.307 16.100 1.00 22.69 O HETATM 1844 O HOH 52 58.924 57.531 23.761 1.00 28.01 O HETATM 1845 O HOH 53 60.479 47.872 7.403 1.00 42.44 O HETATM 1846 O HOH 54 77.496 72.836 15.836 1.00 30.98 O HETATM 1847 O HOH 55 70.217 71.232 18.451 1.00 23.24 O HETATM 1848 O HOH 56 45.794 47.083 10.348 1.00 45.62 O HETATM 1849 O HOH 57 47.389 62.325 9.131 1.00 42.78 O HETATM 1850 O HOH 58 65.793 43.329 13.341 1.00 36.75 O HETATM 1851 O HOH 59 54.907 59.372 24.657 1.00 37.99 O HETATM 1852 O HOH 60 68.568 49.997 3.238 1.00 31.23 O HETATM 1853 O HOH 61 70.083 49.016 4.087 1.00 40.56 O HETATM 1854 O HOH 62 47.501 51.352 7.009 1.00 38.60 O HETATM 1855 O HOH 63 68.078 63.466 23.285 1.00 42.42 O HETATM 1856 O HOH 64 73.546 71.849 -2.236 1.00 36.76 O HETATM 1857 O HOH 65 69.698 68.576 22.049 1.00 41.17 O HETATM 1858 O HOH 66 61.273 59.425 -4.523 1.00 28.30 O HETATM 1859 O HOH 67 58.558 51.755 2.567 1.00 40.82 O HETATM 1860 O HOH 68 61.261 47.303 9.625 1.00 33.99 O HETATM 1861 O HOH 69 54.045 68.587 7.619 1.00 34.98 O HETATM 1862 O HOH 70 67.502 72.727 11.641 1.00 24.07 O HETATM 1863 O HOH 71 66.716 68.637 20.413 1.00 40.02 O HETATM 1864 O HOH 72 76.837 77.138 6.407 1.00 33.05 O HETATM 1865 O HOH 73 71.563 46.602 15.425 1.00 23.64 O HETATM 1866 O HOH 74 74.406 77.374 4.559 1.00 40.34 O HETATM 1867 O HOH 75 59.682 72.340 -0.078 1.00 37.51 O HETATM 1868 O HOH 76 52.879 70.173 8.291 1.00 41.44 O HETATM 1869 O HOH 77 76.670 71.146 -1.449 1.00 34.66 O HETATM 1870 O HOH 78 68.345 71.648 19.063 1.00 39.09 O HETATM 1871 O HOH 79 61.013 73.283 9.742 1.00 41.24 O HETATM 1872 O HOH 80 55.603 66.130 20.202 1.00 36.73 O HETATM 1873 O HOH 81 63.452 66.194 19.969 1.00 34.30 O HETATM 1874 O HOH 82 92.406 64.202 23.613 1.00 32.95 O HETATM 1875 O HOH 83 85.690 49.757 13.104 1.00 42.04 O HETATM 1876 O HOH 84 92.007 50.228 14.346 1.00 43.50 O HETATM 1877 O HOH 85 87.113 70.386 5.277 1.00 28.12 O HETATM 1878 O HOH 86 83.223 70.646 15.116 1.00 17.45 O HETATM 1879 O HOH 87 77.761 67.363 21.399 1.00 37.82 O HETATM 1880 O HOH 88 98.824 54.969 11.321 1.00 40.10 O HETATM 1881 O HOH 89 80.520 46.596 13.912 1.00 35.87 O HETATM 1882 O HOH 90 81.709 48.029 18.389 1.00 21.04 O HETATM 1883 O HOH 91 75.823 51.500 1.820 1.00 26.22 O HETATM 1884 O HOH 92 73.787 56.098 0.656 1.00 21.26 O HETATM 1885 O HOH 93 76.554 59.538 -5.001 1.00 41.64 O HETATM 1886 O HOH 94 94.393 61.407 13.031 1.00 23.21 O HETATM 1887 O HOH 95 68.762 72.349 -1.695 1.00 33.35 O HETATM 1888 O HOH 96 87.628 52.848 0.213 1.00 34.02 O HETATM 1889 O HOH 97 88.137 68.790 19.217 1.00 19.64 O HETATM 1890 O HOH 98 66.578 53.770 25.895 1.00 30.30 O HETATM 1891 O HOH 99 75.925 71.944 7.832 1.00 17.30 O HETATM 1892 O HOH 100 71.406 55.357 -2.222 1.00 22.93 O HETATM 1893 O HOH 101 89.781 71.621 15.613 1.00 17.64 O HETATM 1894 O HOH 102 69.752 51.288 28.920 1.00 28.52 O HETATM 1895 O HOH 103 77.425 68.518 17.641 1.00 20.13 O HETATM 1896 O HOH 104 70.513 56.749 -6.131 1.00 23.54 O HETATM 1897 O HOH 105 71.791 55.111 19.183 1.00 14.29 O HETATM 1898 O HOH 106 76.486 50.246 22.625 1.00 20.55 O HETATM 1899 O HOH 107 71.275 65.503 15.209 1.00 14.25 O HETATM 1900 O HOH 108 80.574 49.798 8.000 1.00 36.80 O HETATM 1901 O HOH 109 86.775 53.083 24.600 1.00 33.22 O HETATM 1902 O HOH 110 93.479 47.314 12.980 1.00 46.67 O HETATM 1903 O HOH 111 73.900 51.207 29.607 1.00 23.47 O HETATM 1904 O HOH 112 80.385 62.180 30.451 1.00 33.79 O HETATM 1905 O HOH 113 70.763 64.246 17.573 1.00 13.99 O HETATM 1906 O HOH 114 79.014 67.234 -4.959 1.00 39.66 O HETATM 1907 O HOH 115 76.108 71.459 1.236 1.00 26.13 O HETATM 1908 O HOH 116 76.025 70.553 17.351 1.00 33.06 O HETATM 1909 O HOH 117 81.600 50.264 11.891 1.00 21.30 O HETATM 1910 O HOH 118 84.269 48.630 19.756 1.00 18.46 O HETATM 1911 O HOH 119 82.383 63.564 18.864 1.00 18.19 O HETATM 1912 O HOH 120 79.825 51.175 28.649 1.00 23.30 O HETATM 1913 O HOH 121 79.519 72.304 0.997 1.00 32.92 O HETATM 1914 O HOH 122 73.906 70.971 18.619 1.00 33.79 O HETATM 1915 O HOH 123 84.340 68.431 26.840 1.00 45.84 O HETATM 1916 O HOH 124 74.163 58.067 -3.976 1.00 32.23 O HETATM 1917 O HOH 125 84.296 68.735 17.413 1.00 16.44 O HETATM 1918 O HOH 126 69.819 58.742 25.327 1.00 32.61 O HETATM 1919 O HOH 127 94.019 70.014 1.802 1.00 42.04 O HETATM 1920 O HOH 128 93.687 61.744 8.857 1.00 32.75 O HETATM 1921 O HOH 129 82.525 74.281 7.024 1.00 28.87 O HETATM 1922 O HOH 130 79.664 72.345 14.740 1.00 30.34 O HETATM 1923 O HOH 131 72.573 49.495 3.117 1.00 30.83 O HETATM 1924 O HOH 132 86.989 68.345 31.162 1.00 43.71 O HETATM 1925 O HOH 133 91.648 72.466 5.057 1.00 31.90 O HETATM 1926 O HOH 134 71.177 60.940 24.748 1.00 38.67 O HETATM 1927 O HOH 135 85.960 49.760 9.262 1.00 29.31 O HETATM 1928 O HOH 136 75.430 65.420 22.963 1.00 41.02 O HETATM 1929 O HOH 137 83.906 56.956 0.192 1.00 26.15 O HETATM 1930 O HOH 138 82.693 49.715 9.789 1.00 43.20 O HETATM 1931 O HOH 139 97.085 64.922 3.874 1.00 49.21 O HETATM 1932 O HOH 140 71.974 68.588 21.812 1.00 43.86 O HETATM 1933 O HOH 141 99.348 63.966 23.721 1.00 43.64 O HETATM 1934 O HOH 142 82.622 65.831 -5.309 1.00 52.18 O HETATM 1935 O HOH 143 95.973 65.377 1.837 1.00 54.84 O HETATM 1936 O HOH 144 97.572 60.489 8.345 1.00 40.34 O HETATM 1937 O HOH 145 65.643 52.282 2.059 1.00 36.24 O HETATM 1938 O HOH 146 89.170 59.561 2.762 1.00 38.30 O HETATM 1939 O HOH 147 82.900 53.281 0.946 1.00 34.52 O HETATM 1940 O HOH 148 73.424 69.535 20.523 1.00 44.01 O HETATM 1941 O HOH 149 66.885 70.787 -2.866 1.00 29.65 O HETATM 1942 O HOH 150 74.527 48.077 12.971 1.00 34.00 O HETATM 1943 O HOH 151 85.491 70.515 3.345 1.00 27.41 O HETATM 1944 O HOH 152 71.958 71.133 19.336 1.00 36.33 O HETATM 1945 O HOH 153 81.590 65.627 23.145 1.00 33.86 O HETATM 1946 O HOH 154 78.995 74.918 6.251 1.00 35.86 O HETATM 1947 O HOH 155 76.048 55.843 -0.519 1.00 34.62 O HETATM 1948 O HOH 156 83.706 72.927 2.442 1.00 35.49 O HETATM 1949 O HOH 157 84.033 65.750 -3.552 1.00 42.84 O HETATM 1950 O HOH 158 76.078 69.338 20.137 1.00 41.28 O HETATM 1951 O HOH 159 83.801 64.526 32.688 1.00 42.31 O HETATM 1952 O HOH 160 74.478 48.784 2.798 1.00 39.94 O HETATM 1953 O HOH 161 67.733 68.277 -4.396 1.00 24.00 O HETATM 1954 O HOH 162 72.952 47.141 14.041 1.00 35.97 O HETATM 1955 O HOH 163 81.644 72.776 16.121 1.00 29.54 O HETATM 1956 O HOH 164 81.053 62.331 33.038 1.00 43.77 O HETATM 1957 O HOH 165 71.734 47.967 1.915 1.00 42.88 O HETATM 1958 N1 K A 13 65.487 51.760 12.651 1.00 -0.34 N HETATM 1959 C2 K A 13 66.421 52.420 13.525 1.00 0.04 C HETATM 1960 C3 K A 13 66.197 53.876 13.891 1.00 -0.04 C HETATM 1961 C4 K A 13 67.172 54.584 14.810 1.00 -0.05 C HETATM 1962 C5 K A 13 68.361 53.817 15.366 1.00 0.09 C HETATM 1963 C6 K A 13 68.597 52.363 15.001 1.00 -0.05 C HETATM 1964 C7 K A 13 67.619 51.659 14.078 1.00 -0.04 C HETATM 1965 H6 K A 13 67.772 50.619 13.813 1.00 0.05 H HETATM 1966 H5 K A 13 69.456 51.832 15.396 1.00 0.06 H HETATM 1967 S8 K A 13 69.514 54.685 16.443 1.00 0.06 S HETATM 1968 O9 K A 13 68.840 55.778 17.150 1.00 -0.15 O HETATM 1969 O10 K A 13 70.038 53.838 17.512 1.00 -0.15 O HETATM 1970 N11 K A 13 70.751 55.267 15.428 1.00 -0.23 N HETATM 1971 C12 K A 13 71.480 54.218 14.736 1.00 0.03 C HETATM 1972 C13 K A 13 72.962 54.550 14.608 1.00 -0.03 C HETATM 1973 C14 K A 13 73.622 54.582 15.987 1.00 -0.06 C HETATM 1974 H10 K A 13 74.690 54.823 15.877 1.00 0.02 H HETATM 1975 H11 K A 13 73.516 53.598 16.467 1.00 0.02 H HETATM 1976 H12 K A 13 73.136 55.348 16.609 1.00 0.02 H HETATM 1977 C15 K A 13 73.615 53.486 13.725 1.00 -0.05 C HETATM 1978 C18 K A 13 73.677 52.129 14.429 1.00 -0.07 C HETATM 1979 H18 K A 13 74.152 51.392 13.764 1.00 0.02 H HETATM 1980 H19 K A 13 72.658 51.797 14.676 1.00 0.02 H HETATM 1981 H20 K A 13 74.266 52.222 15.353 1.00 0.02 H HETATM 1982 H13 K A 13 74.638 53.806 13.477 1.00 0.03 H HETATM 1983 H14 K A 13 73.029 53.382 12.800 1.00 0.03 H HETATM 1984 H9 K A 13 73.076 55.536 14.135 1.00 0.03 H HETATM 1985 H7 K A 13 71.055 54.093 13.729 1.00 0.05 H HETATM 1986 H8 K A 13 71.373 53.279 15.299 1.00 0.05 H HETATM 1987 C16 K A 13 70.466 56.504 14.725 1.00 0.06 C HETATM 1988 C17 K A 13 71.370 57.616 15.254 1.00 0.10 C HETATM 1989 O18 K A 13 71.242 58.747 14.440 1.00 -0.39 O HETATM 1990 H21 K A 13 71.496 58.527 13.552 1.00 0.21 H HETATM 1991 C19 K A 13 71.008 57.983 16.689 1.00 0.08 C HETATM 1992 N20 K A 13 71.984 58.951 17.139 1.00 -0.26 N HETATM 1993 C21 K A 13 72.975 58.646 18.140 1.00 0.32 C HETATM 1994 O22 K A 13 72.986 57.604 18.720 1.00 -0.38 O HETATM 1995 O23 K A 13 73.910 59.655 18.365 1.00 -0.26 O HETATM 1996 C24 K A 13 74.784 59.573 19.580 1.00 0.12 C HETATM 1997 C25 K A 13 75.932 60.007 19.255 1.00 0.08 C HETATM 1998 O26 K A 13 75.736 61.633 19.221 1.00 -0.35 O HETATM 1999 C27 K A 13 74.926 61.921 20.185 1.00 0.16 C HETATM 2000 O28 K A 13 73.706 62.772 19.677 1.00 -0.35 O HETATM 2001 C29 K A 13 72.674 61.956 19.637 1.00 0.05 C HETATM 2002 C30 K A 13 72.995 60.762 20.690 1.00 -0.02 C HETATM 2003 C31 K A 13 74.326 60.587 20.663 1.00 0.04 C HETATM 2004 H32 K A 13 74.695 60.294 21.657 1.00 0.04 H HETATM 2005 H30 K A 13 72.483 59.837 20.386 1.00 0.03 H HETATM 2006 H31 K A 13 72.668 61.047 21.701 1.00 0.03 H HETATM 2007 H28 K A 13 72.551 61.547 18.623 1.00 0.06 H HETATM 2008 H29 K A 13 71.757 62.487 19.932 1.00 0.06 H HETATM 2009 H27 K A 13 75.457 62.444 20.994 1.00 0.09 H HETATM 2010 H25 K A 13 76.230 59.627 18.267 1.00 0.06 H HETATM 2011 H26 K A 13 76.686 59.718 20.002 1.00 0.06 H HETATM 2012 H24 K A 13 74.817 58.545 19.971 1.00 0.07 H HETATM 2013 H23 K A 13 71.971 59.868 16.740 1.00 0.19 H HETATM 2014 C32 K A 13 69.648 58.673 16.781 1.00 0.01 C HETATM 2015 C38 K A 13 69.435 59.140 18.218 1.00 -0.04 C HETATM 2016 C33 K A 13 69.539 60.620 18.568 1.00 -0.06 C HETATM 2017 C34 K A 13 69.331 61.082 20.007 1.00 -0.07 C HETATM 2018 C35 K A 13 69.017 60.066 21.099 1.00 -0.07 C HETATM 2019 C36 K A 13 68.913 58.585 20.752 1.00 -0.07 C HETATM 2020 C37 K A 13 69.121 58.123 19.311 1.00 -0.06 C HETATM 2021 H39 K A 13 69.045 57.070 19.064 1.00 0.06 H HETATM 2022 H38 K A 13 68.692 57.861 21.527 1.00 0.06 H HETATM 2023 H37 K A 13 68.868 60.396 22.121 1.00 0.06 H HETATM 2024 H36 K A 13 69.407 62.135 20.253 1.00 0.06 H HETATM 2025 H35 K A 13 69.761 61.345 17.793 1.00 0.06 H HETATM 2026 H33 K A 13 68.854 57.966 16.500 1.00 0.04 H HETATM 2027 H34 K A 13 69.625 59.539 16.103 1.00 0.04 H HETATM 2028 H22 K A 13 71.020 57.083 17.322 1.00 0.06 H HETATM 2029 H17 K A 13 72.413 57.268 15.228 1.00 0.06 H HETATM 2030 H15 K A 13 69.414 56.781 14.884 1.00 0.05 H HETATM 2031 H16 K A 13 70.649 56.364 13.649 1.00 0.05 H HETATM 2032 H4 K A 13 67.023 55.626 15.068 1.00 0.06 H HETATM 2033 H3 K A 13 65.340 54.409 13.495 1.00 0.05 H HETATM 2034 H1 K A 13 64.677 52.276 12.278 1.00 0.17 H HETATM 2035 H2 K A 13 65.628 50.771 12.399 1.00 0.17 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 895 896 901 902 903 CONECT 902 895 CONECT 903 895 CONECT 1958 1959 2034 2035 CONECT 1959 1958 1960 1964 CONECT 1960 1959 1961 2033 CONECT 1961 1960 1962 2032 CONECT 1962 1961 1963 1967 CONECT 1963 1962 1964 1966 CONECT 1964 1959 1963 1965 CONECT 1965 1964 CONECT 1966 1963 CONECT 1967 1962 1968 1969 1970 CONECT 1968 1967 CONECT 1969 1967 CONECT 1970 1967 1971 1987 CONECT 1971 1970 1972 1985 1986 CONECT 1972 1971 1973 1977 1984 CONECT 1973 1972 1974 1975 1976 CONECT 1974 1973 CONECT 1975 1973 CONECT 1976 1973 CONECT 1977 1972 1978 1982 1983 CONECT 1978 1977 1979 1980 1981 CONECT 1979 1978 CONECT 1980 1978 CONECT 1981 1978 CONECT 1982 1977 CONECT 1983 1977 CONECT 1984 1972 CONECT 1985 1971 CONECT 1986 1971 CONECT 1987 1970 1988 2030 2031 CONECT 1988 1987 1989 1991 2029 CONECT 1989 1988 1990 CONECT 1990 1989 CONECT 1991 1988 1992 2014 2028 CONECT 1992 1991 1993 2013 CONECT 1993 1992 1994 1995 CONECT 1994 1993 CONECT 1995 1993 1996 CONECT 1996 1995 1997 2003 2012 CONECT 1997 1996 1998 2010 2011 CONECT 1998 1997 1999 CONECT 1999 1998 2000 2003 2009 CONECT 2000 1999 2001 CONECT 2001 2000 2002 2007 2008 CONECT 2002 2001 2003 2005 2006 CONECT 2003 1996 1999 2002 2004 CONECT 2004 2003 CONECT 2005 2002 CONECT 2006 2002 CONECT 2007 2001 CONECT 2008 2001 CONECT 2009 1999 CONECT 2010 1997 CONECT 2011 1997 CONECT 2012 1996 CONECT 2013 1992 CONECT 2014 1991 2015 2026 2027 CONECT 2015 2014 2016 2020 CONECT 2016 2015 2017 2025 CONECT 2017 2016 2018 2024 CONECT 2018 2017 2019 2023 CONECT 2019 2018 2020 2022 CONECT 2020 2015 2019 2021 CONECT 2021 2020 CONECT 2022 2019 CONECT 2023 2018 CONECT 2024 2017 CONECT 2025 2016 CONECT 2026 2014 CONECT 2027 2014 CONECT 2028 1991 CONECT 2029 1988 CONECT 2030 1987 CONECT 2031 1987 CONECT 2032 1961 CONECT 2033 1960 CONECT 2034 1958 CONECT 2035 1958 MASTER 0 0 0 0 0 0 0 0 2033 2 84 16 END
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Structure:
Ligand 2D
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Protein
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Related entries of code: 6dgy
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
1eby
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99aa, >1EBY_1|Chains... at 90%
1hxw
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PDBbind
99aa, >1HXW_1|Chains... at 90%
1izh
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PDBbind
99aa, >1IZH_1|Chains... at 90%
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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
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1t7j
RCSB PDB
PDBbind
99aa, >1T7J_1|Chains... at 91%
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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
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3kfn
RCSB PDB
PDBbind
99aa, >3KFN_1|Chains... at 91%
3m9f
RCSB PDB
PDBbind
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3tlh
RCSB PDB
PDBbind
99aa, >3TLH_1|Chain... at 90%
4eqj
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203aa, >4EQJ_1|Chain... *
4ll3
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99aa, >4LL3_1|Chains... at 90%
4phv
RCSB PDB
PDBbind
99aa, >4PHV_1|Chains... at 90%
5hvp
RCSB PDB
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5ivs
RCSB PDB
PDBbind
99aa, >5IVS_1|Chains... at 90%
6dgx
RCSB PDB
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99aa, >6DGX_1|Chains... at 91%
6dgz
RCSB PDB
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99aa, >6DGZ_1|Chains... at 91%
6dh0
RCSB PDB
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99aa, >6DH0_1|Chains... at 90%
6dh1
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99aa, >6DH1_1|Chains... at 90%
6dh2
RCSB PDB
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99aa, >6DH2_1|Chains... at 90%
6dh3
RCSB PDB
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6dh4
RCSB PDB
PDBbind
99aa, >6DH4_1|Chains... at 90%
6dh5
RCSB PDB
PDBbind
99aa, >6DH5_1|Chains... at 90%
6dh6
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99aa, >6DH6_1|Chains... at 90%
6dh7
RCSB PDB
PDBbind
99aa, >6DH7_1|Chains... at 90%
6dh8
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99aa, >6DH8_1|Chains... at 90%
9hvp
RCSB PDB
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6oy2
RCSB PDB
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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
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99aa, >6OXY_1|Chains... at 91%
6oxx
RCSB PDB
PDBbind
99aa, >6OXX_1|Chains... at 91%
6oxw
RCSB PDB
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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
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
3o99
RCSB PDB
PDBbind
K13
6dh1
RCSB PDB
PDBbind
K13
6dh4
RCSB PDB
PDBbind
K13
6dh7
RCSB PDB
PDBbind
K13
Entry Information
PDB ID
6dgy
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
HIV-1 Protease
Ligand Name
K13
EC.Number
E.C.-.-.-.-
Resolution
1.95(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
8
H
3
9
N
3
O
7
S
Molecular Weight
561.690
Exact Mass
561.251
No. of atoms
78
No. of bonds
81
Polar Surface Area
148.8
LOGP Value
3.30 (
Computed with XLOGP3
)
4.82 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 15
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 4
Canonical SMILES
CC[C@@H](CN(S(=O)(=O)c1ccc(cc1)N)C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2[C@H]1CCO2)O)C
InChI String
InChI=1S/C28H39N3O7S/c1-3-19(2)16-31(39(34,35)22-11-9-21(29)10-12-22)17-25(32)24(15-20-7-5-4-6-8-20)30-28(33)38-26-18-37-27-23(26)13-14-36-27/h4-12,19,23-27,32H,3,13-18,29H2,1-2H3,(H,30,33)/t19-,23-,24-,25+,26-,27+/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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