Browse entries in the PDBbind-CN Database
HEADER 6DH0_COMPLEX COMPND 6DH0_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 VAL 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 VAL ILE GLY ARG ASN LEU LEU THR SEQRES 8 B 99 GLN ILE GLY CYS THR LEU ASN PHE HET UNN A 355 75 ATOM 1 N PRO A 1 130.960 65.913 -3.138 1.00 39.78 N ATOM 2 CA PRO A 1 130.010 65.075 -3.878 1.00 35.64 C ATOM 3 C PRO A 1 128.599 65.118 -3.309 1.00 36.32 C ATOM 4 O PRO A 1 128.391 65.617 -2.204 1.00 32.49 O ATOM 5 CB PRO A 1 130.600 63.673 -3.731 1.00 45.63 C ATOM 6 CG PRO A 1 131.310 63.715 -2.425 1.00 41.08 C ATOM 7 CD PRO A 1 131.881 65.104 -2.321 1.00 37.44 C ATOM 8 HN2 PRO A 1 130.429 66.553 -2.513 1.00 0.00 H ATOM 9 HN1 PRO A 1 131.515 66.473 -3.816 1.00 0.00 H ATOM 10 N GLN A 2 127.646 64.597 -4.073 1.00 30.13 N ATOM 11 CA GLN A 2 126.270 64.421 -3.628 1.00 27.42 C ATOM 12 C GLN A 2 126.038 62.939 -3.376 1.00 34.83 C ATOM 13 O GLN A 2 126.317 62.108 -4.246 1.00 31.09 O ATOM 14 CB GLN A 2 125.287 64.958 -4.670 1.00 33.35 C ATOM 15 CG GLN A 2 123.821 64.790 -4.304 1.00 27.20 C ATOM 16 CD GLN A 2 122.898 65.532 -5.254 1.00 37.09 C ATOM 17 OE1 GLN A 2 122.646 65.085 -6.374 1.00 40.96 O ATOM 18 NE2 GLN A 2 122.397 66.677 -4.815 1.00 29.39 N ATOM 19 HE22 GLN A 2 122.636 67.018 -3.862 1.00 0.00 H ATOM 20 HE21 GLN A 2 121.765 67.235 -5.423 1.00 0.00 H ATOM 21 H GLN A 2 127.895 64.299 -5.038 1.00 0.00 H ATOM 22 N ILE A 3 125.548 62.610 -2.184 1.00 24.50 N ATOM 23 CA ILE A 3 125.395 61.228 -1.748 1.00 24.14 C ATOM 24 C ILE A 3 123.915 60.972 -1.503 1.00 23.91 C ATOM 25 O ILE A 3 123.294 61.632 -0.660 1.00 21.26 O ATOM 26 CB ILE A 3 126.223 60.934 -0.486 1.00 24.65 C ATOM 27 CG1 ILE A 3 127.700 61.236 -0.747 1.00 26.89 C ATOM 28 CG2 ILE A 3 126.039 59.480 -0.049 1.00 24.43 C ATOM 29 CD1 ILE A 3 128.611 61.057 0.456 1.00 29.09 C ATOM 30 H ILE A 3 125.262 63.371 -1.536 1.00 0.00 H ATOM 31 N THR A 4 123.351 60.027 -2.245 1.00 21.62 N ATOM 32 CA THR A 4 121.994 59.577 -1.990 1.00 20.90 C ATOM 33 C THR A 4 122.003 58.524 -0.883 1.00 20.82 C ATOM 34 O THR A 4 123.053 58.024 -0.471 1.00 25.72 O ATOM 35 CB THR A 4 121.361 59.021 -3.266 1.00 26.59 C ATOM 36 OG1 THR A 4 122.155 57.941 -3.768 1.00 25.05 O ATOM 37 CG2 THR A 4 121.263 60.111 -4.329 1.00 24.66 C ATOM 38 HG1 THR A 4 121.741 57.585 -4.594 1.00 0.00 H ATOM 39 H THR A 4 123.892 59.600 -3.024 1.00 0.00 H ATOM 40 N LEU A 5 120.809 58.177 -0.405 1.00 23.99 N ATOM 41 CA LEU A 5 120.668 57.421 0.835 1.00 20.99 C ATOM 42 C LEU A 5 119.962 56.084 0.640 1.00 23.37 C ATOM 43 O LEU A 5 119.400 55.538 1.595 1.00 22.04 O ATOM 44 CB LEU A 5 119.937 58.280 1.866 1.00 20.16 C ATOM 45 CG LEU A 5 120.698 59.572 2.173 1.00 17.73 C ATOM 46 CD1 LEU A 5 119.825 60.549 2.938 1.00 18.05 C ATOM 47 CD2 LEU A 5 121.973 59.265 2.954 1.00 21.82 C ATOM 48 H LEU A 5 119.954 58.452 -0.930 1.00 0.00 H ATOM 49 N TRP A 6 119.997 55.534 -0.574 1.00 26.69 N ATOM 50 CA TRP A 6 119.455 54.199 -0.802 1.00 24.35 C ATOM 51 C TRP A 6 120.267 53.137 -0.075 1.00 23.17 C ATOM 52 O TRP A 6 119.721 52.099 0.316 1.00 25.91 O ATOM 53 CB TRP A 6 119.409 53.920 -2.304 1.00 28.74 C ATOM 54 CG TRP A 6 118.665 54.982 -3.017 1.00 27.87 C ATOM 55 CD1 TRP A 6 119.190 56.021 -3.726 1.00 31.49 C ATOM 56 CD2 TRP A 6 117.247 55.141 -3.056 1.00 27.93 C ATOM 57 NE1 TRP A 6 118.179 56.816 -4.218 1.00 32.37 N ATOM 58 CE2 TRP A 6 116.976 56.293 -3.820 1.00 28.16 C ATOM 59 CE3 TRP A 6 116.176 54.416 -2.525 1.00 33.21 C ATOM 60 CZ2 TRP A 6 115.681 56.734 -4.066 1.00 28.98 C ATOM 61 CZ3 TRP A 6 114.893 54.854 -2.771 1.00 33.66 C ATOM 62 CH2 TRP A 6 114.655 56.001 -3.536 1.00 35.10 C ATOM 63 HE1 TRP A 6 118.307 57.671 -4.796 1.00 0.00 H ATOM 64 H TRP A 6 120.415 56.062 -1.366 1.00 0.00 H ATOM 65 N LYS A 7 121.559 53.372 0.109 1.00 19.85 N ATOM 66 CA LYS A 7 122.394 52.539 0.956 1.00 26.47 C ATOM 67 C LYS A 7 123.062 53.410 2.010 1.00 20.97 C ATOM 68 O LYS A 7 122.995 54.642 1.969 1.00 23.71 O ATOM 69 CB LYS A 7 123.438 51.770 0.134 1.00 33.48 C ATOM 70 CG LYS A 7 124.200 52.577 -0.910 1.00 41.30 C ATOM 71 CD LYS A 7 124.449 51.738 -2.163 1.00 48.15 C ATOM 72 CE LYS A 7 125.187 50.436 -1.848 1.00 61.39 C ATOM 73 NZ LYS A 7 125.405 49.594 -3.057 1.00 79.15 N ATOM 74 HZ1 LYS A 7 124.486 49.347 -3.476 1.00 0.00 H ATOM 75 HZ2 LYS A 7 125.972 50.124 -3.749 1.00 0.00 H ATOM 76 HZ3 LYS A 7 125.909 48.725 -2.787 1.00 0.00 H ATOM 77 H LYS A 7 121.992 54.186 -0.373 1.00 0.00 H ATOM 78 N ARG A 8 123.688 52.752 2.974 1.00 20.99 N ATOM 79 CA ARG A 8 124.341 53.469 4.057 1.00 21.60 C ATOM 80 C ARG A 8 125.395 54.415 3.488 1.00 22.39 C ATOM 81 O ARG A 8 126.196 54.001 2.639 1.00 22.34 O ATOM 82 CB ARG A 8 124.988 52.492 5.035 1.00 22.47 C ATOM 83 CG ARG A 8 123.999 51.661 5.835 1.00 26.37 C ATOM 84 CD ARG A 8 124.651 51.148 7.107 1.00 35.85 C ATOM 85 NE ARG A 8 123.756 50.297 7.886 1.00 42.98 N ATOM 86 CZ ARG A 8 123.879 50.074 9.193 1.00 51.59 C ATOM 87 NH1 ARG A 8 124.854 50.651 9.891 1.00 35.16 N ATOM 88 NH2 ARG A 8 123.016 49.279 9.809 1.00 51.75 N ATOM 89 HE ARG A 8 122.970 49.834 7.387 1.00 0.00 H ATOM 90 HH12 ARG A 8 124.941 50.470 10.911 1.00 0.00 H ATOM 91 HH11 ARG A 8 125.529 51.283 9.416 1.00 0.00 H ATOM 92 HH22 ARG A 8 123.109 49.102 10.830 1.00 0.00 H ATOM 93 HH21 ARG A 8 122.246 48.832 9.272 1.00 0.00 H ATOM 94 H ARG A 8 123.713 51.712 2.956 1.00 0.00 H ATOM 95 N PRO A 9 125.425 55.683 3.911 1.00 21.32 N ATOM 96 CA PRO A 9 126.474 56.604 3.418 1.00 20.55 C ATOM 97 C PRO A 9 127.825 56.331 4.066 1.00 25.85 C ATOM 98 O PRO A 9 128.329 57.082 4.910 1.00 19.21 O ATOM 99 CB PRO A 9 125.902 57.977 3.781 1.00 19.38 C ATOM 100 CG PRO A 9 125.067 57.731 4.976 1.00 17.31 C ATOM 101 CD PRO A 9 124.438 56.383 4.750 1.00 21.93 C ATOM 102 N LEU A 10 128.434 55.221 3.658 1.00 24.03 N ATOM 103 CA LEU A 10 129.742 54.820 4.147 1.00 26.82 C ATOM 104 C LEU A 10 130.830 55.439 3.284 1.00 27.48 C ATOM 105 O LEU A 10 130.721 55.473 2.055 1.00 31.15 O ATOM 106 CB LEU A 10 129.877 53.296 4.134 1.00 28.48 C ATOM 107 CG LEU A 10 128.961 52.553 5.104 1.00 30.92 C ATOM 108 CD1 LEU A 10 128.942 51.073 4.765 1.00 33.68 C ATOM 109 CD2 LEU A 10 129.402 52.771 6.544 1.00 27.25 C ATOM 110 H LEU A 10 127.955 54.616 2.961 1.00 0.00 H ATOM 111 N VAL A 11 131.881 55.931 3.936 1.00 24.83 N ATOM 112 CA VAL A 11 133.010 56.529 3.241 1.00 27.37 C ATOM 113 C VAL A 11 134.297 56.047 3.890 1.00 23.10 C ATOM 114 O VAL A 11 134.317 55.581 5.032 1.00 22.16 O ATOM 115 CB VAL A 11 132.952 58.073 3.248 1.00 27.99 C ATOM 116 CG1 VAL A 11 131.682 58.547 2.565 1.00 26.96 C ATOM 117 CG2 VAL A 11 133.035 58.611 4.671 1.00 26.23 C ATOM 118 H VAL A 11 131.895 55.886 4.975 1.00 0.00 H ATOM 119 N THR A 12 135.382 56.168 3.138 1.00 26.96 N ATOM 120 CA THR A 12 136.701 55.835 3.639 1.00 24.27 C ATOM 121 C THR A 12 137.294 57.058 4.321 1.00 24.62 C ATOM 122 O THR A 12 137.258 58.165 3.774 1.00 32.15 O ATOM 123 CB THR A 12 137.605 55.356 2.502 1.00 30.13 C ATOM 124 OG1 THR A 12 137.000 54.225 1.860 1.00 23.82 O ATOM 125 CG2 THR A 12 138.971 54.956 3.038 1.00 29.96 C ATOM 126 HG1 THR A 12 137.584 53.914 1.124 1.00 0.00 H ATOM 127 H THR A 12 135.284 56.511 2.161 1.00 0.00 H ATOM 128 N ILE A 13 137.823 56.856 5.521 1.00 21.30 N ATOM 129 CA ILE A 13 138.452 57.918 6.289 1.00 21.26 C ATOM 130 C ILE A 13 139.902 57.529 6.530 1.00 28.73 C ATOM 131 O ILE A 13 140.267 56.352 6.495 1.00 24.92 O ATOM 132 CB ILE A 13 137.727 58.178 7.626 1.00 21.76 C ATOM 133 CG1 ILE A 13 137.758 56.925 8.508 1.00 25.81 C ATOM 134 CG2 ILE A 13 136.287 58.596 7.364 1.00 22.36 C ATOM 135 CD1 ILE A 13 137.391 57.179 9.953 1.00 25.66 C ATOM 136 H ILE A 13 137.786 55.900 5.928 1.00 0.00 H ATOM 137 N LYS A 14 140.733 58.538 6.777 1.00 28.01 N ATOM 138 CA LYS A 14 142.122 58.333 7.171 1.00 27.39 C ATOM 139 C LYS A 14 142.328 58.986 8.528 1.00 30.33 C ATOM 140 O LYS A 14 142.094 60.190 8.683 1.00 28.03 O ATOM 141 CB LYS A 14 143.092 58.911 6.139 1.00 35.41 C ATOM 142 CG LYS A 14 144.529 58.436 6.326 1.00 39.52 C ATOM 143 CD LYS A 14 145.493 59.127 5.369 1.00 54.79 C ATOM 144 CE LYS A 14 146.108 60.378 5.983 1.00 62.64 C ATOM 145 NZ LYS A 14 147.266 60.875 5.187 1.00 74.13 N ATOM 146 HZ1 LYS A 14 147.998 60.138 5.145 1.00 0.00 H ATOM 147 HZ2 LYS A 14 146.949 61.106 4.224 1.00 0.00 H ATOM 148 HZ3 LYS A 14 147.655 61.727 5.639 1.00 0.00 H ATOM 149 H LYS A 14 140.378 59.511 6.686 1.00 0.00 H ATOM 150 N ILE A 15 142.754 58.194 9.508 1.00 29.57 N ATOM 151 CA ILE A 15 142.982 58.686 10.860 1.00 27.75 C ATOM 152 C ILE A 15 144.198 57.973 11.431 1.00 36.74 C ATOM 153 O ILE A 15 144.318 56.749 11.315 1.00 34.25 O ATOM 154 CB ILE A 15 141.750 58.479 11.765 1.00 34.31 C ATOM 155 CG1 ILE A 15 142.032 59.032 13.159 1.00 30.35 C ATOM 156 CG2 ILE A 15 141.371 57.001 11.834 1.00 33.33 C ATOM 157 CD1 ILE A 15 140.816 59.128 14.049 1.00 27.09 C ATOM 158 H ILE A 15 142.930 57.190 9.302 1.00 0.00 H ATOM 159 N GLY A 16 145.098 58.739 12.044 1.00 35.49 N ATOM 160 CA GLY A 16 146.320 58.190 12.597 1.00 38.92 C ATOM 161 C GLY A 16 147.119 57.404 11.578 1.00 38.81 C ATOM 162 O GLY A 16 147.798 56.433 11.926 1.00 42.01 O ATOM 163 H GLY A 16 144.919 59.760 12.128 1.00 0.00 H ATOM 164 N GLY A 17 147.043 57.814 10.313 1.00 32.15 N ATOM 165 CA GLY A 17 147.765 57.138 9.256 1.00 33.75 C ATOM 166 C GLY A 17 147.157 55.832 8.809 1.00 38.43 C ATOM 167 O GLY A 17 147.831 55.051 8.132 1.00 39.47 O ATOM 168 H GLY A 17 146.452 58.638 10.080 1.00 0.00 H ATOM 169 N GLN A 18 145.901 55.571 9.161 1.00 30.88 N ATOM 170 CA GLN A 18 145.237 54.315 8.842 1.00 35.56 C ATOM 171 C GLN A 18 143.926 54.595 8.123 1.00 37.06 C ATOM 172 O GLN A 18 143.235 55.571 8.432 1.00 38.52 O ATOM 173 CB GLN A 18 144.972 53.502 10.115 1.00 39.98 C ATOM 174 CG GLN A 18 144.405 52.115 9.870 1.00 45.78 C ATOM 175 CD GLN A 18 144.230 51.332 11.156 1.00 46.08 C ATOM 176 OE1 GLN A 18 143.603 51.805 12.105 1.00 45.19 O ATOM 177 NE2 GLN A 18 144.798 50.133 11.201 1.00 51.31 N ATOM 178 HE22 GLN A 18 145.318 49.773 10.376 1.00 0.00 H ATOM 179 HE21 GLN A 18 144.723 49.554 12.062 1.00 0.00 H ATOM 180 H GLN A 18 145.371 56.295 9.687 1.00 0.00 H ATOM 181 N LEU A 19 143.587 53.734 7.168 1.00 23.56 N ATOM 182 CA LEU A 19 142.321 53.830 6.456 1.00 27.55 C ATOM 183 C LEU A 19 141.239 53.038 7.176 1.00 35.02 C ATOM 184 O LEU A 19 141.480 51.930 7.664 1.00 30.40 O ATOM 185 CB LEU A 19 142.461 53.316 5.021 1.00 32.92 C ATOM 186 CG LEU A 19 143.347 54.115 4.062 1.00 30.35 C ATOM 187 CD1 LEU A 19 143.177 53.577 2.649 1.00 32.78 C ATOM 188 CD2 LEU A 19 143.030 55.605 4.111 1.00 34.61 C ATOM 189 H LEU A 19 144.247 52.968 6.922 1.00 0.00 H ATOM 190 N LYS A 20 140.042 53.617 7.235 1.00 30.69 N ATOM 191 CA LYS A 20 138.893 52.965 7.843 1.00 26.55 C ATOM 192 C LYS A 20 137.634 53.378 7.096 1.00 24.69 C ATOM 193 O LYS A 20 137.601 54.399 6.405 1.00 24.99 O ATOM 194 CB LYS A 20 138.752 53.320 9.327 1.00 26.89 C ATOM 195 CG LYS A 20 139.807 52.717 10.227 1.00 34.20 C ATOM 196 CD LYS A 20 139.552 53.090 11.676 1.00 34.40 C ATOM 197 CE LYS A 20 140.462 52.323 12.612 1.00 37.13 C ATOM 198 NZ LYS A 20 139.852 51.044 13.059 1.00 39.70 N ATOM 199 HZ1 LYS A 20 138.963 51.242 13.560 1.00 0.00 H ATOM 200 HZ2 LYS A 20 139.659 50.445 12.231 1.00 0.00 H ATOM 201 HZ3 LYS A 20 140.509 50.552 13.698 1.00 0.00 H ATOM 202 H LYS A 20 139.924 54.569 6.832 1.00 0.00 H ATOM 203 N GLU A 21 136.595 52.569 7.250 1.00 23.80 N ATOM 204 CA GLU A 21 135.280 52.864 6.705 1.00 27.13 C ATOM 205 C GLU A 21 134.408 53.435 7.815 1.00 20.22 C ATOM 206 O GLU A 21 134.449 52.956 8.951 1.00 19.92 O ATOM 207 CB GLU A 21 134.648 51.601 6.120 1.00 29.22 C ATOM 208 CG GLU A 21 133.323 51.825 5.425 1.00 29.97 C ATOM 209 CD GLU A 21 132.958 50.684 4.495 1.00 40.15 C ATOM 210 OE1 GLU A 21 133.328 50.750 3.304 1.00 37.23 O ATOM 211 OE2 GLU A 21 132.314 49.718 4.956 1.00 45.94 O ATOM 212 H GLU A 21 136.726 51.686 7.783 1.00 0.00 H ATOM 213 N ALA A 22 133.626 54.463 7.489 1.00 20.53 N ATOM 214 CA ALA A 22 132.827 55.138 8.503 1.00 19.10 C ATOM 215 C ALA A 22 131.524 55.638 7.900 1.00 20.56 C ATOM 216 O ALA A 22 131.415 55.865 6.692 1.00 21.15 O ATOM 217 CB ALA A 22 133.591 56.303 9.139 1.00 19.33 C ATOM 218 H ALA A 22 133.586 54.787 6.501 1.00 0.00 H ATOM 219 N LEU A 23 130.540 55.825 8.775 1.00 17.98 N ATOM 220 CA LEU A 23 129.182 56.182 8.389 1.00 19.19 C ATOM 221 C LEU A 23 128.971 57.674 8.624 1.00 18.04 C ATOM 222 O LEU A 23 129.179 58.162 9.738 1.00 17.67 O ATOM 223 CB LEU A 23 128.173 55.358 9.196 1.00 19.02 C ATOM 224 CG LEU A 23 126.680 55.497 8.892 1.00 23.79 C ATOM 225 CD1 LEU A 23 126.432 55.671 7.416 1.00 32.58 C ATOM 226 CD2 LEU A 23 125.903 54.283 9.393 1.00 39.47 C ATOM 227 H LEU A 23 130.751 55.710 9.787 1.00 0.00 H ATOM 228 N LEU A 24 128.569 58.394 7.577 1.00 18.50 N ATOM 229 CA LEU A 24 128.182 59.791 7.730 1.00 16.02 C ATOM 230 C LEU A 24 126.826 59.856 8.421 1.00 15.35 C ATOM 231 O LEU A 24 125.811 59.424 7.863 1.00 16.00 O ATOM 232 CB LEU A 24 128.131 60.484 6.374 1.00 19.83 C ATOM 233 CG LEU A 24 129.392 60.365 5.522 1.00 20.02 C ATOM 234 CD1 LEU A 24 129.194 61.060 4.184 1.00 23.32 C ATOM 235 CD2 LEU A 24 130.600 60.934 6.252 1.00 20.46 C ATOM 236 H LEU A 24 128.531 57.952 6.636 1.00 0.00 H ATOM 237 N ASP A 25 126.807 60.409 9.632 1.00 14.23 N ATOM 238 CA ASP A 25 125.708 60.216 10.579 1.00 16.38 C ATOM 239 C ASP A 25 125.205 61.575 11.066 1.00 14.90 C ATOM 240 O ASP A 25 125.686 62.103 12.071 1.00 13.79 O ATOM 241 CB ASP A 25 126.197 59.339 11.731 1.00 13.91 C ATOM 242 CG ASP A 25 125.090 58.925 12.670 1.00 14.35 C ATOM 243 OD1 ASP A 25 123.975 59.472 12.558 1.00 14.18 O ATOM 244 OD2 ASP A 25 125.344 58.044 13.521 1.00 13.98 O ATOM 245 H ASP A 25 127.610 61.005 9.918 1.00 0.00 H ATOM 246 N THR A 26 124.213 62.136 10.367 1.00 16.06 N ATOM 247 CA THR A 26 123.718 63.456 10.741 1.00 15.22 C ATOM 248 C THR A 26 122.979 63.446 12.072 1.00 11.31 C ATOM 249 O THR A 26 122.773 64.517 12.654 1.00 12.07 O ATOM 250 CB THR A 26 122.807 64.026 9.648 1.00 16.26 C ATOM 251 OG1 THR A 26 121.726 63.121 9.387 1.00 15.54 O ATOM 252 CG2 THR A 26 123.591 64.262 8.368 1.00 16.33 C ATOM 253 HG1 THR A 26 121.199 62.991 10.215 1.00 0.00 H ATOM 254 H THR A 26 123.795 61.632 9.559 1.00 0.00 H ATOM 255 N GLY A 27 122.599 62.276 12.576 1.00 12.82 N ATOM 256 CA GLY A 27 121.970 62.149 13.871 1.00 15.13 C ATOM 257 C GLY A 27 122.932 62.014 15.024 1.00 15.49 C ATOM 258 O GLY A 27 122.499 61.918 16.176 1.00 17.58 O ATOM 259 H GLY A 27 122.761 61.416 12.015 1.00 0.00 H ATOM 260 N ALA A 28 124.232 61.989 14.748 1.00 11.44 N ATOM 261 CA ALA A 28 125.260 61.968 15.778 1.00 15.60 C ATOM 262 C ALA A 28 125.800 63.377 15.982 1.00 15.19 C ATOM 263 O ALA A 28 126.238 64.018 15.020 1.00 14.19 O ATOM 264 CB ALA A 28 126.396 61.024 15.379 1.00 16.05 C ATOM 265 H ALA A 28 124.528 61.984 13.751 1.00 0.00 H ATOM 266 N ASP A 29 125.761 63.863 17.230 1.00 17.66 N ATOM 267 CA ASP A 29 126.456 65.113 17.540 1.00 18.43 C ATOM 268 C ASP A 29 127.960 64.941 17.388 1.00 17.37 C ATOM 269 O ASP A 29 128.660 65.847 16.918 1.00 16.22 O ATOM 270 CB ASP A 29 126.169 65.580 18.969 1.00 15.11 C ATOM 271 CG ASP A 29 124.698 65.793 19.257 1.00 20.39 C ATOM 272 OD1 ASP A 29 123.893 65.930 18.318 1.00 19.13 O ATOM 273 OD2 ASP A 29 124.355 65.847 20.458 1.00 18.37 O ATOM 274 H ASP A 29 125.240 63.355 17.973 1.00 0.00 H ATOM 275 N ASP A 30 128.469 63.788 17.802 1.00 16.09 N ATOM 276 CA ASP A 30 129.889 63.550 17.972 1.00 16.01 C ATOM 277 C ASP A 30 130.330 62.395 17.085 1.00 19.13 C ATOM 278 O ASP A 30 129.514 61.623 16.579 1.00 16.68 O ATOM 279 CB ASP A 30 130.207 63.242 19.441 1.00 18.37 C ATOM 280 CG ASP A 30 129.706 64.321 20.380 1.00 23.71 C ATOM 281 OD1 ASP A 30 130.004 65.507 20.136 1.00 25.77 O ATOM 282 OD2 ASP A 30 128.995 63.983 21.351 1.00 31.39 O ATOM 283 H ASP A 30 127.812 63.011 18.017 1.00 0.00 H ATOM 284 N THR A 31 131.642 62.295 16.900 1.00 18.21 N ATOM 285 CA THR A 31 132.249 61.245 16.097 1.00 16.80 C ATOM 286 C THR A 31 132.752 60.153 17.032 1.00 19.56 C ATOM 287 O THR A 31 133.495 60.432 17.981 1.00 19.50 O ATOM 288 CB THR A 31 133.387 61.812 15.244 1.00 18.05 C ATOM 289 OG1 THR A 31 132.839 62.683 14.249 1.00 17.65 O ATOM 290 CG2 THR A 31 134.183 60.708 14.557 1.00 17.34 C ATOM 291 HG1 THR A 31 132.354 63.424 14.692 1.00 0.00 H ATOM 292 H THR A 31 132.262 62.999 17.349 1.00 0.00 H ATOM 293 N VAL A 32 132.329 58.918 16.773 1.00 19.72 N ATOM 294 CA VAL A 32 132.629 57.778 17.633 1.00 17.10 C ATOM 295 C VAL A 32 133.162 56.658 16.752 1.00 15.64 C ATOM 296 O VAL A 32 132.467 56.202 15.835 1.00 16.37 O ATOM 297 CB VAL A 32 131.392 57.304 18.415 1.00 15.83 C ATOM 298 CG1 VAL A 32 131.794 56.293 19.483 1.00 20.66 C ATOM 299 CG2 VAL A 32 130.659 58.489 19.029 1.00 21.50 C ATOM 300 H VAL A 32 131.758 58.758 15.918 1.00 0.00 H ATOM 301 N LEU A 33 134.384 56.215 17.027 1.00 14.99 N ATOM 302 CA LEU A 33 135.025 55.157 16.265 1.00 15.95 C ATOM 303 C LEU A 33 135.224 53.921 17.128 1.00 20.03 C ATOM 304 O LEU A 33 135.333 54.006 18.355 1.00 21.11 O ATOM 305 CB LEU A 33 136.379 55.603 15.719 1.00 18.03 C ATOM 306 CG LEU A 33 136.387 56.885 14.898 1.00 20.41 C ATOM 307 CD1 LEU A 33 137.803 57.153 14.432 1.00 33.16 C ATOM 308 CD2 LEU A 33 135.434 56.778 13.717 1.00 19.67 C ATOM 309 H LEU A 33 134.903 56.643 17.820 1.00 0.00 H ATOM 310 N GLU A 34 135.278 52.770 16.467 1.00 21.10 N ATOM 311 CA GLU A 34 135.503 51.514 17.157 1.00 18.88 C ATOM 312 C GLU A 34 136.902 51.490 17.765 1.00 26.36 C ATOM 313 O GLU A 34 137.774 52.295 17.424 1.00 21.23 O ATOM 314 CB GLU A 34 135.323 50.336 16.200 1.00 22.85 C ATOM 315 CG GLU A 34 133.917 50.212 15.629 1.00 22.38 C ATOM 316 CD GLU A 34 133.752 48.990 14.744 1.00 33.27 C ATOM 317 OE1 GLU A 34 133.121 48.003 15.188 1.00 33.99 O ATOM 318 OE2 GLU A 34 134.263 49.012 13.606 1.00 35.09 O ATOM 319 H GLU A 34 135.157 52.769 15.434 1.00 0.00 H ATOM 320 N GLU A 35 137.104 50.553 18.686 1.00 25.19 N ATOM 321 CA GLU A 35 138.369 50.450 19.400 1.00 27.88 C ATOM 322 C GLU A 35 139.543 50.468 18.431 1.00 25.52 C ATOM 323 O GLU A 35 139.559 49.738 17.439 1.00 26.01 O ATOM 324 CB GLU A 35 138.393 49.168 20.232 1.00 35.74 C ATOM 325 CG GLU A 35 139.672 48.975 21.027 1.00 43.54 C ATOM 326 CD GLU A 35 139.911 50.099 22.016 1.00 49.99 C ATOM 327 OE1 GLU A 35 138.921 50.695 22.493 1.00 50.51 O ATOM 328 OE2 GLU A 35 141.089 50.392 22.308 1.00 53.19 O ATOM 329 H GLU A 35 136.342 49.879 18.901 1.00 0.00 H ATOM 330 N MET A 36 140.524 51.313 18.731 1.00 31.30 N ATOM 331 CA MET A 36 141.706 51.461 17.895 1.00 33.55 C ATOM 332 C MET A 36 142.783 52.158 18.710 1.00 36.86 C ATOM 333 O MET A 36 142.504 52.785 19.737 1.00 34.53 O ATOM 334 CB MET A 36 141.404 52.260 16.621 1.00 31.80 C ATOM 335 CG MET A 36 141.033 53.720 16.882 1.00 30.34 C ATOM 336 SD MET A 36 140.870 54.734 15.398 1.00 34.18 S ATOM 337 CE MET A 36 142.490 54.538 14.657 1.00 38.18 C ATOM 338 H MET A 36 140.444 51.889 19.593 1.00 0.00 H ATOM 339 N ASN A 37 144.018 52.049 18.234 1.00 40.90 N ATOM 340 CA ASN A 37 145.149 52.723 18.857 1.00 47.92 C ATOM 341 C ASN A 37 145.337 54.082 18.195 1.00 45.96 C ATOM 342 O ASN A 37 145.593 54.160 16.989 1.00 37.75 O ATOM 343 CB ASN A 37 146.416 51.882 18.730 1.00 48.98 C ATOM 344 CG ASN A 37 146.325 50.578 19.489 1.00 55.84 C ATOM 345 OD1 ASN A 37 146.408 49.498 18.903 1.00 59.24 O ATOM 346 ND2 ASN A 37 146.149 50.669 20.804 1.00 59.99 N ATOM 347 HD22 ASN A 37 146.084 51.603 21.257 1.00 0.00 H ATOM 348 HD21 ASN A 37 146.076 49.806 21.380 1.00 0.00 H ATOM 349 H ASN A 37 144.183 51.464 17.390 1.00 0.00 H ATOM 350 N LEU A 38 145.196 55.147 18.977 1.00 38.31 N ATOM 351 CA LEU A 38 145.380 56.494 18.472 1.00 47.33 C ATOM 352 C LEU A 38 146.511 57.177 19.227 1.00 49.50 C ATOM 353 O LEU A 38 146.495 57.201 20.466 1.00 50.96 O ATOM 354 CB LEU A 38 144.094 57.328 18.612 1.00 46.77 C ATOM 355 CG LEU A 38 143.269 57.577 17.348 1.00 47.84 C ATOM 356 CD1 LEU A 38 142.105 58.500 17.670 1.00 38.03 C ATOM 357 CD2 LEU A 38 144.110 58.171 16.225 1.00 41.19 C ATOM 358 H LEU A 38 144.947 55.011 19.978 1.00 0.00 H ATOM 359 N PRO A 39 147.501 57.743 18.536 1.00 50.67 N ATOM 360 CA PRO A 39 148.544 58.494 19.244 1.00 56.75 C ATOM 361 C PRO A 39 147.997 59.825 19.737 1.00 55.45 C ATOM 362 O PRO A 39 147.314 60.543 19.003 1.00 50.95 O ATOM 363 CB PRO A 39 149.633 58.680 18.183 1.00 55.74 C ATOM 364 CG PRO A 39 148.901 58.653 16.888 1.00 53.17 C ATOM 365 CD PRO A 39 147.702 57.761 17.075 1.00 47.98 C ATOM 366 N GLY A 40 148.295 60.143 20.993 1.00 58.16 N ATOM 367 CA GLY A 40 147.830 61.376 21.594 1.00 64.30 C ATOM 368 C GLY A 40 147.261 61.153 22.977 1.00 65.77 C ATOM 369 O GLY A 40 146.924 60.023 23.343 1.00 63.45 O ATOM 370 H GLY A 40 148.876 59.491 21.558 1.00 0.00 H ATOM 371 N ARG A 41 147.157 62.222 23.760 1.00 66.69 N ATOM 372 CA ARG A 41 146.525 62.127 25.066 1.00 58.35 C ATOM 373 C ARG A 41 145.026 61.905 24.903 1.00 53.67 C ATOM 374 O ARG A 41 144.424 62.287 23.895 1.00 49.96 O ATOM 375 CB ARG A 41 146.785 63.395 25.879 1.00 57.83 C ATOM 376 H ARG A 41 147.532 63.136 23.435 1.00 0.00 H ATOM 377 N TRP A 42 144.422 61.272 25.905 1.00 49.99 N ATOM 378 CA TRP A 42 142.989 61.028 25.879 1.00 44.33 C ATOM 379 C TRP A 42 142.445 61.084 27.295 1.00 44.49 C ATOM 380 O TRP A 42 143.160 60.817 28.265 1.00 47.59 O ATOM 381 CB TRP A 42 142.650 59.677 25.233 1.00 42.16 C ATOM 382 CG TRP A 42 143.183 58.473 25.961 1.00 37.94 C ATOM 383 CD1 TRP A 42 144.338 57.799 25.694 1.00 42.05 C ATOM 384 CD2 TRP A 42 142.570 57.792 27.064 1.00 40.53 C ATOM 385 NE1 TRP A 42 144.486 56.746 26.562 1.00 44.54 N ATOM 386 CE2 TRP A 42 143.415 56.720 27.415 1.00 47.11 C ATOM 387 CE3 TRP A 42 141.392 57.988 27.791 1.00 41.92 C ATOM 388 CZ2 TRP A 42 143.119 55.847 28.459 1.00 47.04 C ATOM 389 CZ3 TRP A 42 141.100 57.120 28.829 1.00 40.12 C ATOM 390 CH2 TRP A 42 141.959 56.064 29.152 1.00 44.82 C ATOM 391 HE1 TRP A 42 145.282 56.077 26.570 1.00 0.00 H ATOM 392 H TRP A 42 144.983 60.947 26.718 1.00 0.00 H ATOM 393 N LYS A 43 141.166 61.442 27.400 1.00 39.23 N ATOM 394 CA LYS A 43 140.464 61.493 28.665 1.00 37.53 C ATOM 395 C LYS A 43 139.225 60.609 28.605 1.00 33.74 C ATOM 396 O LYS A 43 138.557 60.556 27.567 1.00 32.41 O ATOM 397 CB LYS A 43 140.048 62.932 29.007 1.00 34.30 C ATOM 398 H LYS A 43 140.649 61.696 26.534 1.00 0.00 H ATOM 399 N PRO A 44 138.890 59.905 29.683 1.00 35.93 N ATOM 400 CA PRO A 44 137.674 59.085 29.662 1.00 33.76 C ATOM 401 C PRO A 44 136.429 59.955 29.683 1.00 40.89 C ATOM 402 O PRO A 44 136.388 61.000 30.338 1.00 35.29 O ATOM 403 CB PRO A 44 137.794 58.237 30.932 1.00 40.92 C ATOM 404 CG PRO A 44 138.629 59.057 31.846 1.00 39.09 C ATOM 405 CD PRO A 44 139.587 59.822 30.978 1.00 37.31 C ATOM 406 N LYS A 45 135.412 59.518 28.945 1.00 27.11 N ATOM 407 CA LYS A 45 134.152 60.243 28.878 1.00 29.87 C ATOM 408 C LYS A 45 133.024 59.243 28.682 1.00 27.68 C ATOM 409 O LYS A 45 133.253 58.070 28.377 1.00 29.87 O ATOM 410 CB LYS A 45 134.160 61.280 27.750 1.00 29.69 C ATOM 411 H LYS A 45 135.520 58.637 28.403 1.00 0.00 H ATOM 412 N MET A 46 131.797 59.724 28.872 1.00 24.71 N ATOM 413 CA MET A 46 130.591 58.946 28.630 1.00 28.11 C ATOM 414 C MET A 46 129.832 59.549 27.458 1.00 30.11 C ATOM 415 O MET A 46 129.797 60.773 27.295 1.00 28.09 O ATOM 416 CB MET A 46 129.687 58.925 29.866 1.00 30.00 C ATOM 417 CG MET A 46 130.371 58.456 31.137 1.00 34.90 C ATOM 418 SD MET A 46 130.915 56.741 31.036 1.00 38.61 S ATOM 419 CE MET A 46 129.338 55.905 30.934 1.00 32.36 C ATOM 420 H MET A 46 131.696 60.702 29.209 1.00 0.00 H ATOM 421 N ILE A 47 129.218 58.691 26.648 1.00 23.59 N ATOM 422 CA ILE A 47 128.401 59.135 25.526 1.00 24.07 C ATOM 423 C ILE A 47 127.183 58.226 25.442 1.00 25.66 C ATOM 424 O ILE A 47 127.292 57.009 25.620 1.00 26.93 O ATOM 425 CB ILE A 47 129.205 59.141 24.205 1.00 26.45 C ATOM 426 CG1 ILE A 47 128.522 60.030 23.165 1.00 32.80 C ATOM 427 CG2 ILE A 47 129.403 57.732 23.652 1.00 24.22 C ATOM 428 CD1 ILE A 47 128.918 61.484 23.273 1.00 41.21 C ATOM 429 H ILE A 47 129.324 57.671 26.821 1.00 0.00 H ATOM 430 N GLY A 48 126.024 58.820 25.185 1.00 21.95 N ATOM 431 CA GLY A 48 124.754 58.106 25.189 1.00 27.33 C ATOM 432 C GLY A 48 124.186 57.965 23.786 1.00 28.04 C ATOM 433 O GLY A 48 124.224 58.909 22.993 1.00 30.55 O ATOM 434 H GLY A 48 126.022 59.838 24.972 1.00 0.00 H ATOM 435 N GLY A 49 123.653 56.782 23.498 1.00 18.96 N ATOM 436 CA GLY A 49 123.024 56.508 22.222 1.00 19.48 C ATOM 437 C GLY A 49 121.615 55.979 22.394 1.00 26.98 C ATOM 438 O GLY A 49 120.999 56.177 23.445 1.00 20.39 O ATOM 439 H GLY A 49 123.689 56.027 24.213 1.00 0.00 H ATOM 440 N ILE A 50 121.096 55.283 21.379 1.00 16.89 N ATOM 441 CA ILE A 50 119.708 54.836 21.436 1.00 20.30 C ATOM 442 C ILE A 50 119.508 53.827 22.557 1.00 22.87 C ATOM 443 O ILE A 50 118.416 53.733 23.129 1.00 23.03 O ATOM 444 CB ILE A 50 119.272 54.256 20.074 1.00 23.85 C ATOM 445 CG1 ILE A 50 117.745 54.232 19.979 1.00 25.16 C ATOM 446 CG2 ILE A 50 119.866 52.859 19.852 1.00 21.31 C ATOM 447 CD1 ILE A 50 117.210 53.880 18.606 1.00 30.63 C ATOM 448 H ILE A 50 121.681 55.060 20.548 1.00 0.00 H ATOM 449 N GLY A 51 120.546 53.065 22.896 1.00 18.32 N ATOM 450 CA GLY A 51 120.400 51.964 23.829 1.00 22.51 C ATOM 451 C GLY A 51 120.979 52.212 25.205 1.00 23.57 C ATOM 452 O GLY A 51 120.904 51.338 26.073 1.00 21.72 O ATOM 453 H GLY A 51 121.480 53.263 22.484 1.00 0.00 H ATOM 454 N GLY A 52 121.549 53.388 25.425 1.00 21.69 N ATOM 455 CA GLY A 52 122.132 53.725 26.702 1.00 26.70 C ATOM 456 C GLY A 52 123.472 54.399 26.513 1.00 25.03 C ATOM 457 O GLY A 52 123.764 54.948 25.452 1.00 22.89 O ATOM 458 H GLY A 52 121.577 54.088 24.656 1.00 0.00 H ATOM 459 N PHE A 53 124.293 54.337 27.556 1.00 23.97 N ATOM 460 CA PHE A 53 125.553 55.058 27.615 1.00 22.37 C ATOM 461 C PHE A 53 126.730 54.094 27.600 1.00 24.06 C ATOM 462 O PHE A 53 126.645 52.976 28.116 1.00 28.33 O ATOM 463 CB PHE A 53 125.603 55.934 28.871 1.00 25.09 C ATOM 464 CG PHE A 53 124.733 57.149 28.782 1.00 30.02 C ATOM 465 CD1 PHE A 53 123.353 57.036 28.853 1.00 31.92 C ATOM 466 CD2 PHE A 53 125.290 58.404 28.612 1.00 26.89 C ATOM 467 CE1 PHE A 53 122.547 58.154 28.762 1.00 32.02 C ATOM 468 CE2 PHE A 53 124.485 59.526 28.521 1.00 32.01 C ATOM 469 CZ PHE A 53 123.114 59.399 28.596 1.00 31.68 C ATOM 470 H PHE A 53 124.021 53.745 28.367 1.00 0.00 H ATOM 471 N ILE A 54 127.833 54.541 26.996 1.00 23.67 N ATOM 472 CA ILE A 54 129.057 53.756 26.923 1.00 26.92 C ATOM 473 C ILE A 54 130.226 54.622 27.368 1.00 20.84 C ATOM 474 O ILE A 54 130.171 55.854 27.338 1.00 24.89 O ATOM 475 CB ILE A 54 129.321 53.189 25.505 1.00 23.31 C ATOM 476 CG1 ILE A 54 129.494 54.315 24.476 1.00 20.64 C ATOM 477 CG2 ILE A 54 128.191 52.252 25.090 1.00 23.03 C ATOM 478 CD1 ILE A 54 130.030 53.839 23.131 1.00 22.71 C ATOM 479 H ILE A 54 127.818 55.486 26.561 1.00 0.00 H ATOM 480 N LYS A 55 131.298 53.952 27.783 1.00 28.44 N ATOM 481 CA LYS A 55 132.551 54.613 28.119 1.00 29.89 C ATOM 482 C LYS A 55 133.412 54.725 26.869 1.00 25.47 C ATOM 483 O LYS A 55 133.590 53.743 26.142 1.00 27.08 O ATOM 484 CB LYS A 55 133.298 53.837 29.205 1.00 26.90 C ATOM 485 CG LYS A 55 132.689 53.972 30.587 1.00 44.13 C ATOM 486 CD LYS A 55 133.093 52.827 31.503 1.00 52.76 C ATOM 487 CE LYS A 55 134.596 52.781 31.736 1.00 56.92 C ATOM 488 NZ LYS A 55 134.947 51.777 32.779 1.00 63.12 N ATOM 489 HZ1 LYS A 55 134.479 52.029 33.673 1.00 0.00 H ATOM 490 HZ2 LYS A 55 134.628 50.835 32.473 1.00 0.00 H ATOM 491 HZ3 LYS A 55 135.978 51.768 32.917 1.00 0.00 H ATOM 492 H LYS A 55 131.239 52.917 27.871 1.00 0.00 H ATOM 493 N VAL A 56 133.943 55.922 26.622 1.00 21.76 N ATOM 494 CA VAL A 56 134.802 56.170 25.475 1.00 23.94 C ATOM 495 C VAL A 56 136.064 56.883 25.937 1.00 25.71 C ATOM 496 O VAL A 56 136.134 57.437 27.036 1.00 27.00 O ATOM 497 CB VAL A 56 134.097 57.003 24.381 1.00 28.10 C ATOM 498 CG1 VAL A 56 132.929 56.227 23.793 1.00 24.39 C ATOM 499 CG2 VAL A 56 133.629 58.343 24.942 1.00 22.34 C ATOM 500 H VAL A 56 133.736 56.707 27.272 1.00 0.00 H ATOM 501 N ARG A 57 137.071 56.856 25.073 1.00 27.34 N ATOM 502 CA ARG A 57 138.265 57.672 25.228 1.00 32.93 C ATOM 503 C ARG A 57 138.120 58.883 24.317 1.00 28.33 C ATOM 504 O ARG A 57 137.898 58.730 23.111 1.00 26.00 O ATOM 505 CB ARG A 57 139.523 56.874 24.883 1.00 32.03 C ATOM 506 CG ARG A 57 139.506 55.459 25.440 1.00 38.95 C ATOM 507 CD ARG A 57 140.892 54.824 25.488 1.00 43.99 C ATOM 508 NE ARG A 57 141.619 54.920 24.224 1.00 43.46 N ATOM 509 CZ ARG A 57 141.588 54.007 23.255 1.00 51.50 C ATOM 510 NH1 ARG A 57 140.855 52.907 23.379 1.00 50.24 N ATOM 511 NH2 ARG A 57 142.295 54.197 22.149 1.00 46.54 N ATOM 512 HE ARG A 57 142.205 55.765 24.069 1.00 0.00 H ATOM 513 HH12 ARG A 57 140.841 52.203 22.614 1.00 0.00 H ATOM 514 HH11 ARG A 57 140.295 52.750 24.241 1.00 0.00 H ATOM 515 HH22 ARG A 57 142.274 53.487 21.390 1.00 0.00 H ATOM 516 HH21 ARG A 57 142.871 55.056 22.041 1.00 0.00 H ATOM 517 H ARG A 57 137.003 56.224 24.250 1.00 0.00 H ATOM 518 N GLN A 58 138.222 60.078 24.889 1.00 26.95 N ATOM 519 CA GLN A 58 138.080 61.309 24.122 1.00 24.89 C ATOM 520 C GLN A 58 139.457 61.797 23.688 1.00 28.53 C ATOM 521 O GLN A 58 140.306 62.101 24.533 1.00 28.97 O ATOM 522 CB GLN A 58 137.367 62.381 24.941 1.00 25.58 C ATOM 523 CG GLN A 58 137.174 63.687 24.182 1.00 28.64 C ATOM 524 CD GLN A 58 136.378 64.715 24.962 1.00 32.68 C ATOM 525 OE1 GLN A 58 135.610 64.374 25.859 1.00 41.28 O ATOM 526 NE2 GLN A 58 136.563 65.982 24.623 1.00 32.44 N ATOM 527 HE22 GLN A 58 137.223 66.224 23.857 1.00 0.00 H ATOM 528 HE21 GLN A 58 136.048 66.735 25.123 1.00 0.00 H ATOM 529 H GLN A 58 138.408 60.136 25.911 1.00 0.00 H ATOM 530 N TYR A 59 139.675 61.861 22.374 1.00 27.32 N ATOM 531 CA TYR A 59 140.873 62.450 21.786 1.00 32.51 C ATOM 532 C TYR A 59 140.491 63.785 21.162 1.00 30.75 C ATOM 533 O TYR A 59 139.618 63.838 20.290 1.00 30.57 O ATOM 534 CB TYR A 59 141.489 61.539 20.723 1.00 28.58 C ATOM 535 CG TYR A 59 141.990 60.207 21.225 1.00 33.10 C ATOM 536 CD1 TYR A 59 141.121 59.142 21.408 1.00 34.65 C ATOM 537 CD2 TYR A 59 143.337 60.009 21.496 1.00 42.20 C ATOM 538 CE1 TYR A 59 141.575 57.920 21.859 1.00 37.88 C ATOM 539 CE2 TYR A 59 143.802 58.788 21.945 1.00 37.73 C ATOM 540 CZ TYR A 59 142.917 57.747 22.127 1.00 41.79 C ATOM 541 OH TYR A 59 143.370 56.529 22.575 1.00 38.06 O ATOM 542 HH TYR A 59 142.608 55.901 22.649 1.00 0.00 H ATOM 543 H TYR A 59 138.953 61.471 21.735 1.00 0.00 H ATOM 544 N ASP A 60 141.148 64.853 21.593 1.00 31.79 N ATOM 545 CA ASP A 60 140.876 66.183 21.071 1.00 30.15 C ATOM 546 C ASP A 60 141.858 66.551 19.965 1.00 28.61 C ATOM 547 O ASP A 60 143.003 66.092 19.942 1.00 26.73 O ATOM 548 CB ASP A 60 140.945 67.226 22.186 1.00 33.95 C ATOM 549 CG ASP A 60 139.748 67.168 23.111 1.00 37.03 C ATOM 550 OD1 ASP A 60 138.645 66.813 22.640 1.00 35.52 O ATOM 551 OD2 ASP A 60 139.910 67.481 24.307 1.00 44.11 O ATOM 552 H ASP A 60 141.878 64.736 22.325 1.00 0.00 H ATOM 553 N GLN A 61 141.381 67.387 19.040 1.00 28.68 N ATOM 554 CA GLN A 61 142.209 67.997 17.998 1.00 27.77 C ATOM 555 C GLN A 61 142.946 66.942 17.170 1.00 32.91 C ATOM 556 O GLN A 61 144.138 67.060 16.883 1.00 28.34 O ATOM 557 CB GLN A 61 143.184 69.005 18.613 1.00 35.52 C ATOM 558 CG GLN A 61 142.924 70.436 18.171 1.00 37.10 C ATOM 559 CD GLN A 61 143.763 71.449 18.928 1.00 33.07 C ATOM 560 OE1 GLN A 61 143.487 71.761 20.085 1.00 38.47 O ATOM 561 NE2 GLN A 61 144.790 71.974 18.272 1.00 33.44 N ATOM 562 HE22 GLN A 61 144.987 71.681 17.294 1.00 0.00 H ATOM 563 HE21 GLN A 61 145.398 72.679 18.736 1.00 0.00 H ATOM 564 H GLN A 61 140.367 67.617 19.061 1.00 0.00 H ATOM 565 N ILE A 62 142.210 65.913 16.758 1.00 27.59 N ATOM 566 CA ILE A 62 142.764 64.824 15.959 1.00 24.55 C ATOM 567 C ILE A 62 142.568 65.134 14.483 1.00 25.67 C ATOM 568 O ILE A 62 141.474 65.523 14.058 1.00 25.33 O ATOM 569 CB ILE A 62 142.103 63.484 16.329 1.00 25.28 C ATOM 570 CG1 ILE A 62 142.588 63.003 17.700 1.00 33.44 C ATOM 571 CG2 ILE A 62 142.362 62.419 15.254 1.00 29.48 C ATOM 572 CD1 ILE A 62 144.053 62.589 17.746 1.00 38.37 C ATOM 573 H ILE A 62 141.203 65.883 17.015 1.00 0.00 H ATOM 574 N LEU A 63 143.624 64.939 13.696 1.00 20.27 N ATOM 575 CA LEU A 63 143.509 65.059 12.246 1.00 23.14 C ATOM 576 C LEU A 63 142.756 63.860 11.686 1.00 31.02 C ATOM 577 O LEU A 63 143.057 62.711 12.023 1.00 28.30 O ATOM 578 CB LEU A 63 144.890 65.151 11.595 1.00 30.13 C ATOM 579 CG LEU A 63 145.505 66.544 11.425 1.00 35.71 C ATOM 580 CD1 LEU A 63 145.902 67.137 12.765 1.00 33.47 C ATOM 581 CD2 LEU A 63 146.706 66.470 10.492 1.00 41.46 C ATOM 582 H LEU A 63 144.543 64.698 14.120 1.00 0.00 H ATOM 583 N ILE A 64 141.782 64.126 10.823 1.00 27.25 N ATOM 584 CA ILE A 64 141.010 63.061 10.189 1.00 27.18 C ATOM 585 C ILE A 64 140.555 63.542 8.819 1.00 28.37 C ATOM 586 O ILE A 64 140.021 64.647 8.684 1.00 31.95 O ATOM 587 CB ILE A 64 139.811 62.637 11.062 1.00 30.98 C ATOM 588 CG1 ILE A 64 138.942 61.616 10.330 1.00 31.93 C ATOM 589 CG2 ILE A 64 138.989 63.854 11.462 1.00 29.43 C ATOM 590 CD1 ILE A 64 137.985 60.888 11.244 1.00 42.12 C ATOM 591 H ILE A 64 141.564 65.117 10.593 1.00 0.00 H ATOM 592 N GLU A 65 140.770 62.709 7.805 1.00 26.13 N ATOM 593 CA GLU A 65 140.438 63.032 6.423 1.00 29.62 C ATOM 594 C GLU A 65 139.265 62.165 5.989 1.00 32.55 C ATOM 595 O GLU A 65 139.365 60.934 5.985 1.00 32.87 O ATOM 596 CB GLU A 65 141.640 62.814 5.504 1.00 32.48 C ATOM 597 CG GLU A 65 141.379 63.194 4.052 1.00 42.40 C ATOM 598 CD GLU A 65 142.657 63.333 3.245 1.00 54.38 C ATOM 599 OE1 GLU A 65 143.722 62.900 3.733 1.00 49.23 O ATOM 600 OE2 GLU A 65 142.596 63.881 2.125 1.00 49.06 O ATOM 601 H GLU A 65 141.196 61.782 8.008 1.00 0.00 H ATOM 602 N ILE A 66 138.161 62.809 5.629 1.00 30.07 N ATOM 603 CA ILE A 66 136.914 62.134 5.291 1.00 28.06 C ATOM 604 C ILE A 66 136.688 62.322 3.800 1.00 31.43 C ATOM 605 O ILE A 66 136.397 63.435 3.345 1.00 31.63 O ATOM 606 CB ILE A 66 135.732 62.687 6.100 1.00 27.98 C ATOM 607 CG1 ILE A 66 135.974 62.504 7.600 1.00 29.27 C ATOM 608 CG2 ILE A 66 134.433 62.005 5.693 1.00 25.80 C ATOM 609 CD1 ILE A 66 135.332 63.576 8.449 1.00 31.29 C ATOM 610 H ILE A 66 138.187 63.848 5.586 1.00 0.00 H ATOM 611 N CYS A 67 136.816 61.242 3.036 1.00 32.12 N ATOM 612 CA CYS A 67 136.557 61.281 1.601 1.00 41.23 C ATOM 613 C CYS A 67 137.330 62.426 0.947 1.00 39.05 C ATOM 614 O CYS A 67 136.800 63.197 0.144 1.00 46.77 O ATOM 615 CB CYS A 67 135.055 61.401 1.333 1.00 40.81 C ATOM 616 SG CYS A 67 134.498 60.642 -0.204 1.00 60.92 S ATOM 617 H CYS A 67 137.109 60.345 3.473 1.00 0.00 H ATOM 618 N GLY A 68 138.603 62.540 1.314 1.00 39.17 N ATOM 619 CA GLY A 68 139.456 63.572 0.755 1.00 42.16 C ATOM 620 C GLY A 68 139.169 64.970 1.256 1.00 45.84 C ATOM 621 O GLY A 68 139.463 65.943 0.554 1.00 44.37 O ATOM 622 H GLY A 68 138.994 61.878 2.014 1.00 0.00 H ATOM 623 N HIS A 69 138.601 65.099 2.455 1.00 35.91 N ATOM 624 CA HIS A 69 138.347 66.393 3.075 1.00 31.86 C ATOM 625 C HIS A 69 138.903 66.362 4.488 1.00 33.66 C ATOM 626 O HIS A 69 138.576 65.461 5.267 1.00 31.05 O ATOM 627 CB HIS A 69 136.849 66.725 3.100 1.00 30.96 C ATOM 628 CG HIS A 69 136.278 67.055 1.757 1.00 35.49 C ATOM 629 ND1 HIS A 69 135.938 68.340 1.388 1.00 33.50 N ATOM 630 CD2 HIS A 69 135.985 66.270 0.693 1.00 38.18 C ATOM 631 CE1 HIS A 69 135.462 68.331 0.156 1.00 28.06 C ATOM 632 NE2 HIS A 69 135.480 67.088 -0.289 1.00 31.31 N ATOM 633 H HIS A 69 138.327 64.238 2.971 1.00 0.00 H ATOM 634 N LYS A 70 139.737 67.341 4.817 1.00 27.32 N ATOM 635 CA LYS A 70 140.448 67.344 6.085 1.00 31.98 C ATOM 636 C LYS A 70 139.603 67.981 7.179 1.00 27.88 C ATOM 637 O LYS A 70 138.949 69.007 6.968 1.00 27.60 O ATOM 638 CB LYS A 70 141.779 68.088 5.952 1.00 30.51 C ATOM 639 H LYS A 70 139.885 68.126 4.151 1.00 0.00 H ATOM 640 N ALA A 71 139.615 67.351 8.349 1.00 25.91 N ATOM 641 CA ALA A 71 139.022 67.908 9.552 1.00 23.48 C ATOM 642 C ALA A 71 140.003 67.705 10.692 1.00 28.18 C ATOM 643 O ALA A 71 140.855 66.816 10.648 1.00 25.74 O ATOM 644 CB ALA A 71 137.675 67.253 9.889 1.00 23.35 C ATOM 645 H ALA A 71 140.069 66.417 8.406 1.00 0.00 H ATOM 646 N ILE A 72 139.883 68.549 11.712 1.00 19.37 N ATOM 647 CA ILE A 72 140.680 68.428 12.926 1.00 19.89 C ATOM 648 C ILE A 72 139.733 68.679 14.087 1.00 24.71 C ATOM 649 O ILE A 72 139.239 69.800 14.257 1.00 24.52 O ATOM 650 CB ILE A 72 141.861 69.410 12.973 1.00 22.15 C ATOM 651 CG1 ILE A 72 142.722 69.283 11.714 1.00 25.14 C ATOM 652 CG2 ILE A 72 142.698 69.152 14.225 1.00 23.00 C ATOM 653 CD1 ILE A 72 143.782 70.360 11.582 1.00 30.48 C ATOM 654 H ILE A 72 139.194 69.325 11.641 1.00 0.00 H ATOM 655 N GLY A 73 139.479 67.656 14.884 1.00 21.78 N ATOM 656 CA GLY A 73 138.515 67.805 15.946 1.00 24.71 C ATOM 657 C GLY A 73 138.479 66.612 16.867 1.00 26.88 C ATOM 658 O GLY A 73 139.380 65.772 16.868 1.00 23.78 O ATOM 659 H GLY A 73 139.971 66.750 14.746 1.00 0.00 H ATOM 660 N THR A 74 137.408 66.558 17.652 1.00 24.65 N ATOM 661 CA THR A 74 137.278 65.569 18.707 1.00 21.01 C ATOM 662 C THR A 74 136.817 64.238 18.129 1.00 25.17 C ATOM 663 O THR A 74 135.903 64.190 17.300 1.00 20.16 O ATOM 664 CB THR A 74 136.299 66.065 19.771 1.00 26.92 C ATOM 665 OG1 THR A 74 136.802 67.275 20.351 1.00 31.81 O ATOM 666 CG2 THR A 74 136.111 65.031 20.874 1.00 26.70 C ATOM 667 HG1 THR A 74 137.683 67.099 20.767 1.00 0.00 H ATOM 668 H THR A 74 136.640 67.244 17.506 1.00 0.00 H ATOM 669 N VAL A 75 137.468 63.163 18.561 1.00 23.35 N ATOM 670 CA VAL A 75 137.135 61.804 18.154 1.00 24.35 C ATOM 671 C VAL A 75 137.002 60.967 19.417 1.00 28.35 C ATOM 672 O VAL A 75 137.912 60.949 20.254 1.00 27.19 O ATOM 673 CB VAL A 75 138.201 61.204 17.215 1.00 24.90 C ATOM 674 CG1 VAL A 75 137.951 59.714 16.981 1.00 24.91 C ATOM 675 CG2 VAL A 75 138.224 61.955 15.892 1.00 26.93 C ATOM 676 H VAL A 75 138.257 63.299 19.225 1.00 0.00 H ATOM 677 N LEU A 76 135.871 60.288 19.557 1.00 23.86 N ATOM 678 CA LEU A 76 135.631 59.391 20.676 1.00 22.33 C ATOM 679 C LEU A 76 135.858 57.956 20.218 1.00 25.22 C ATOM 680 O LEU A 76 135.411 57.563 19.136 1.00 23.53 O ATOM 681 CB LEU A 76 134.209 59.567 21.214 1.00 24.83 C ATOM 682 CG LEU A 76 133.758 61.020 21.412 1.00 19.60 C ATOM 683 CD1 LEU A 76 132.309 61.087 21.866 1.00 22.96 C ATOM 684 CD2 LEU A 76 134.648 61.766 22.400 1.00 26.03 C ATOM 685 H LEU A 76 135.127 60.402 18.839 1.00 0.00 H ATOM 686 N VAL A 77 136.570 57.182 21.037 1.00 20.55 N ATOM 687 CA VAL A 77 136.940 55.809 20.708 1.00 20.77 C ATOM 688 C VAL A 77 136.328 54.899 21.760 1.00 24.42 C ATOM 689 O VAL A 77 136.547 55.092 22.962 1.00 23.90 O ATOM 690 CB VAL A 77 138.465 55.622 20.638 1.00 26.01 C ATOM 691 CG1 VAL A 77 138.824 54.149 20.444 1.00 25.43 C ATOM 692 CG2 VAL A 77 139.052 56.455 19.509 1.00 29.91 C ATOM 693 H VAL A 77 136.875 57.574 21.951 1.00 0.00 H ATOM 694 N GLY A 78 135.566 53.911 21.310 1.00 24.67 N ATOM 695 CA GLY A 78 134.899 53.016 22.217 1.00 26.76 C ATOM 696 C GLY A 78 134.022 52.018 21.496 1.00 18.60 C ATOM 697 O GLY A 78 134.022 51.927 20.265 1.00 20.51 O ATOM 698 H GLY A 78 135.449 53.781 20.285 1.00 0.00 H ATOM 699 N PRO A 79 133.249 51.249 22.265 1.00 23.91 N ATOM 700 CA PRO A 79 132.466 50.128 21.711 1.00 22.81 C ATOM 701 C PRO A 79 131.194 50.581 20.997 1.00 19.24 C ATOM 702 O PRO A 79 130.072 50.232 21.372 1.00 20.61 O ATOM 703 CB PRO A 79 132.179 49.284 22.961 1.00 26.14 C ATOM 704 CG PRO A 79 132.176 50.262 24.089 1.00 25.11 C ATOM 705 CD PRO A 79 133.201 51.293 23.738 1.00 24.04 C ATOM 706 N THR A 80 131.370 51.370 19.943 1.00 24.33 N ATOM 707 CA THR A 80 130.253 51.708 19.079 1.00 21.59 C ATOM 708 C THR A 80 130.002 50.574 18.085 1.00 18.54 C ATOM 709 O THR A 80 130.940 49.897 17.657 1.00 22.00 O ATOM 710 CB THR A 80 130.525 53.005 18.319 1.00 19.35 C ATOM 711 OG1 THR A 80 129.457 53.252 17.398 1.00 19.78 O ATOM 712 CG2 THR A 80 131.844 52.933 17.550 1.00 19.01 C ATOM 713 HG1 THR A 80 129.395 52.500 16.757 1.00 0.00 H ATOM 714 H THR A 80 132.316 51.749 19.735 1.00 0.00 H ATOM 715 N PRO A 81 128.742 50.335 17.712 1.00 18.76 N ATOM 716 CA PRO A 81 128.464 49.284 16.718 1.00 20.67 C ATOM 717 C PRO A 81 129.108 49.532 15.369 1.00 22.17 C ATOM 718 O PRO A 81 129.347 48.566 14.633 1.00 20.61 O ATOM 719 CB PRO A 81 126.931 49.290 16.614 1.00 22.78 C ATOM 720 CG PRO A 81 126.513 50.615 17.154 1.00 22.95 C ATOM 721 CD PRO A 81 127.500 50.935 18.224 1.00 19.62 C ATOM 722 N VAL A 82 129.390 50.786 15.017 1.00 20.10 N ATOM 723 CA VAL A 82 129.996 51.113 13.729 1.00 20.82 C ATOM 724 C VAL A 82 130.640 52.486 13.853 1.00 19.14 C ATOM 725 O VAL A 82 130.195 53.326 14.640 1.00 21.10 O ATOM 726 CB VAL A 82 128.946 51.074 12.588 1.00 27.33 C ATOM 727 CG1 VAL A 82 127.846 52.101 12.825 1.00 25.84 C ATOM 728 CG2 VAL A 82 129.603 51.309 11.236 1.00 34.79 C ATOM 729 H VAL A 82 129.172 51.556 15.681 1.00 0.00 H ATOM 730 N ASN A 83 131.696 52.711 13.071 1.00 15.67 N ATOM 731 CA ASN A 83 132.321 54.027 13.010 1.00 19.43 C ATOM 732 C ASN A 83 131.324 55.046 12.475 1.00 16.47 C ATOM 733 O ASN A 83 130.804 54.887 11.364 1.00 19.26 O ATOM 734 CB ASN A 83 133.550 53.988 12.106 1.00 17.28 C ATOM 735 CG ASN A 83 134.612 53.012 12.581 1.00 20.92 C ATOM 736 OD1 ASN A 83 134.836 52.840 13.780 1.00 20.78 O ATOM 737 ND2 ASN A 83 135.286 52.377 11.627 1.00 23.78 N ATOM 738 HD22 ASN A 83 135.062 52.554 10.627 1.00 0.00 H ATOM 739 HD21 ASN A 83 136.037 51.704 11.881 1.00 0.00 H ATOM 740 H ASN A 83 132.080 51.935 12.495 1.00 0.00 H ATOM 741 N VAL A 84 131.062 56.101 13.243 1.00 19.05 N ATOM 742 CA VAL A 84 130.141 57.149 12.818 1.00 16.60 C ATOM 743 C VAL A 84 130.871 58.482 12.810 1.00 18.58 C ATOM 744 O VAL A 84 131.579 58.819 13.767 1.00 18.11 O ATOM 745 CB VAL A 84 128.882 57.216 13.704 1.00 18.30 C ATOM 746 CG1 VAL A 84 128.103 55.913 13.592 1.00 17.84 C ATOM 747 CG2 VAL A 84 129.228 57.522 15.159 1.00 18.06 C ATOM 748 H VAL A 84 131.526 56.180 14.170 1.00 0.00 H ATOM 749 N ILE A 85 130.707 59.225 11.721 1.00 16.38 N ATOM 750 CA ILE A 85 131.169 60.603 11.618 1.00 16.02 C ATOM 751 C ILE A 85 129.989 61.492 11.976 1.00 21.19 C ATOM 752 O ILE A 85 128.977 61.511 11.265 1.00 16.69 O ATOM 753 CB ILE A 85 131.696 60.922 10.213 1.00 18.77 C ATOM 754 CG1 ILE A 85 132.757 59.902 9.787 1.00 16.43 C ATOM 755 CG2 ILE A 85 132.261 62.336 10.172 1.00 19.42 C ATOM 756 CD1 ILE A 85 133.945 59.812 10.722 1.00 18.94 C ATOM 757 H ILE A 85 130.225 58.802 10.902 1.00 0.00 H ATOM 758 N GLY A 86 130.114 62.229 13.081 1.00 14.78 N ATOM 759 CA GLY A 86 129.055 63.083 13.564 1.00 15.43 C ATOM 760 C GLY A 86 129.221 64.530 13.123 1.00 12.37 C ATOM 761 O GLY A 86 130.149 64.902 12.410 1.00 13.75 O ATOM 762 H GLY A 86 131.006 62.187 13.614 1.00 0.00 H ATOM 763 N ARG A 87 128.288 65.360 13.592 1.00 14.95 N ATOM 764 CA ARG A 87 128.192 66.725 13.088 1.00 18.10 C ATOM 765 C ARG A 87 129.432 67.548 13.419 1.00 15.86 C ATOM 766 O ARG A 87 129.754 68.498 12.694 1.00 17.01 O ATOM 767 CB ARG A 87 126.935 67.400 13.642 1.00 15.11 C ATOM 768 CG ARG A 87 125.640 66.825 13.080 1.00 12.56 C ATOM 769 CD ARG A 87 124.418 67.629 13.505 1.00 13.64 C ATOM 770 NE ARG A 87 124.218 67.580 14.950 1.00 15.64 N ATOM 771 CZ ARG A 87 124.575 68.537 15.805 1.00 20.61 C ATOM 772 NH1 ARG A 87 125.148 69.656 15.380 1.00 15.77 N ATOM 773 NH2 ARG A 87 124.352 68.372 17.101 1.00 16.77 N ATOM 774 HE ARG A 87 123.761 66.732 15.343 1.00 0.00 H ATOM 775 HH12 ARG A 87 125.420 70.392 16.062 1.00 0.00 H ATOM 776 HH11 ARG A 87 125.325 69.797 14.365 1.00 0.00 H ATOM 777 HH22 ARG A 87 124.628 69.115 17.775 1.00 0.00 H ATOM 778 HH21 ARG A 87 123.901 67.500 17.444 1.00 0.00 H ATOM 779 H ARG A 87 127.624 65.031 14.322 1.00 0.00 H ATOM 780 N ASN A 88 130.143 67.214 14.497 1.00 15.09 N ATOM 781 CA ASN A 88 131.316 68.008 14.853 1.00 14.86 C ATOM 782 C ASN A 88 132.340 68.011 13.723 1.00 19.46 C ATOM 783 O ASN A 88 133.060 69.000 13.538 1.00 19.82 O ATOM 784 CB ASN A 88 131.940 67.494 16.155 1.00 18.28 C ATOM 785 CG ASN A 88 132.630 66.147 15.991 1.00 20.59 C ATOM 786 OD1 ASN A 88 132.053 65.193 15.468 1.00 17.48 O ATOM 787 ND2 ASN A 88 133.878 66.071 16.434 1.00 19.09 N ATOM 788 HD22 ASN A 88 134.327 66.902 16.869 1.00 0.00 H ATOM 789 HD21 ASN A 88 134.408 65.180 16.346 1.00 0.00 H ATOM 790 H ASN A 88 129.865 66.397 15.078 1.00 0.00 H ATOM 791 N LEU A 89 132.402 66.932 12.942 1.00 15.46 N ATOM 792 CA LEU A 89 133.282 66.872 11.782 1.00 19.67 C ATOM 793 C LEU A 89 132.559 67.119 10.469 1.00 18.00 C ATOM 794 O LEU A 89 133.169 67.644 9.529 1.00 17.49 O ATOM 795 CB LEU A 89 133.978 65.510 11.712 1.00 19.48 C ATOM 796 CG LEU A 89 134.857 65.127 12.902 1.00 20.35 C ATOM 797 CD1 LEU A 89 135.563 63.815 12.611 1.00 21.19 C ATOM 798 CD2 LEU A 89 135.868 66.227 13.228 1.00 24.64 C ATOM 799 H LEU A 89 131.806 66.110 13.167 1.00 0.00 H ATOM 800 N LEU A 90 131.278 66.749 10.371 1.00 16.72 N ATOM 801 CA LEU A 90 130.545 66.997 9.137 1.00 15.07 C ATOM 802 C LEU A 90 130.505 68.487 8.826 1.00 16.91 C ATOM 803 O LEU A 90 130.630 68.887 7.664 1.00 17.16 O ATOM 804 CB LEU A 90 129.130 66.423 9.229 1.00 16.53 C ATOM 805 CG LEU A 90 129.005 64.904 9.380 1.00 19.00 C ATOM 806 CD1 LEU A 90 127.559 64.521 9.638 1.00 19.10 C ATOM 807 CD2 LEU A 90 129.529 64.177 8.148 1.00 22.02 C ATOM 808 H LEU A 90 130.806 66.285 11.174 1.00 0.00 H ATOM 809 N THR A 91 130.350 69.327 9.855 1.00 17.03 N ATOM 810 CA THR A 91 130.379 70.769 9.634 1.00 16.62 C ATOM 811 C THR A 91 131.719 71.202 9.059 1.00 19.23 C ATOM 812 O THR A 91 131.775 72.069 8.181 1.00 21.70 O ATOM 813 CB THR A 91 130.097 71.526 10.936 1.00 19.65 C ATOM 814 OG1 THR A 91 131.009 71.106 11.959 1.00 19.10 O ATOM 815 CG2 THR A 91 128.668 71.305 11.410 1.00 20.30 C ATOM 816 HG1 THR A 91 130.817 71.602 12.794 1.00 0.00 H ATOM 817 H THR A 91 130.209 68.952 10.815 1.00 0.00 H ATOM 818 N GLN A 92 132.813 70.600 9.536 1.00 22.59 N ATOM 819 CA GLN A 92 134.142 71.020 9.100 1.00 20.63 C ATOM 820 C GLN A 92 134.364 70.758 7.617 1.00 24.73 C ATOM 821 O GLN A 92 135.071 71.526 6.955 1.00 26.37 O ATOM 822 CB GLN A 92 135.225 70.312 9.917 1.00 21.39 C ATOM 823 CG GLN A 92 135.329 70.784 11.360 1.00 20.46 C ATOM 824 CD GLN A 92 136.661 70.417 11.999 1.00 20.63 C ATOM 825 OE1 GLN A 92 137.662 70.225 11.309 1.00 24.02 O ATOM 826 NE2 GLN A 92 136.675 70.314 13.318 1.00 20.44 N ATOM 827 HE22 GLN A 92 135.805 70.485 13.862 1.00 0.00 H ATOM 828 HE21 GLN A 92 137.556 70.062 13.811 1.00 0.00 H ATOM 829 H GLN A 92 132.717 69.826 10.224 1.00 0.00 H ATOM 830 N ILE A 93 133.786 69.687 7.074 1.00 19.67 N ATOM 831 CA ILE A 93 134.002 69.364 5.667 1.00 21.55 C ATOM 832 C ILE A 93 132.911 70.009 4.821 1.00 23.79 C ATOM 833 O ILE A 93 132.844 69.789 3.606 1.00 21.93 O ATOM 834 CB ILE A 93 134.071 67.842 5.440 1.00 21.59 C ATOM 835 CG1 ILE A 93 132.754 67.156 5.822 1.00 24.98 C ATOM 836 CG2 ILE A 93 135.232 67.255 6.237 1.00 22.24 C ATOM 837 CD1 ILE A 93 132.683 65.697 5.394 1.00 25.77 C ATOM 838 H ILE A 93 133.177 69.077 7.656 1.00 0.00 H ATOM 839 N GLY A 94 132.058 70.816 5.452 1.00 20.97 N ATOM 840 CA GLY A 94 131.052 71.561 4.722 1.00 26.03 C ATOM 841 C GLY A 94 129.855 70.745 4.298 1.00 28.51 C ATOM 842 O GLY A 94 129.244 71.039 3.266 1.00 21.98 O ATOM 843 H GLY A 94 132.115 70.913 6.486 1.00 0.00 H ATOM 844 N CYS A 95 129.492 69.732 5.074 1.00 23.13 N ATOM 845 CA CYS A 95 128.406 68.838 4.707 1.00 24.68 C ATOM 846 C CYS A 95 127.061 69.450 5.083 1.00 22.59 C ATOM 847 O CYS A 95 126.899 69.992 6.181 1.00 24.09 O ATOM 848 CB CYS A 95 128.606 67.488 5.396 1.00 24.67 C ATOM 849 SG CYS A 95 127.518 66.199 4.827 1.00 26.45 S ATOM 850 H CYS A 95 129.998 69.573 5.969 1.00 0.00 H ATOM 851 N THR A 96 126.104 69.386 4.157 1.00 19.65 N ATOM 852 CA THR A 96 124.733 69.811 4.407 1.00 17.90 C ATOM 853 C THR A 96 123.765 68.728 3.951 1.00 17.40 C ATOM 854 O THR A 96 124.099 67.863 3.139 1.00 17.96 O ATOM 855 CB THR A 96 124.371 71.114 3.671 1.00 20.70 C ATOM 856 OG1 THR A 96 124.545 70.934 2.259 1.00 24.39 O ATOM 857 CG2 THR A 96 125.227 72.281 4.147 1.00 23.16 C ATOM 858 HG1 THR A 96 123.955 70.204 1.945 1.00 0.00 H ATOM 859 H THR A 96 126.347 69.017 3.216 1.00 0.00 H ATOM 860 N LEU A 97 122.546 68.806 4.472 1.00 17.71 N ATOM 861 CA LEU A 97 121.429 68.013 3.982 1.00 19.12 C ATOM 862 C LEU A 97 120.618 68.846 3.001 1.00 23.16 C ATOM 863 O LEU A 97 120.409 70.044 3.212 1.00 22.75 O ATOM 864 CB LEU A 97 120.538 67.544 5.135 1.00 16.96 C ATOM 865 CG LEU A 97 121.107 66.412 5.999 1.00 15.83 C ATOM 866 CD1 LEU A 97 120.308 66.272 7.283 1.00 20.92 C ATOM 867 CD2 LEU A 97 121.103 65.101 5.233 1.00 19.87 C ATOM 868 H LEU A 97 122.383 69.461 5.263 1.00 0.00 H ATOM 869 N ASN A 98 120.159 68.204 1.929 1.00 21.99 N ATOM 870 CA ASN A 98 119.455 68.900 0.862 1.00 26.88 C ATOM 871 C ASN A 98 118.311 68.038 0.357 1.00 22.91 C ATOM 872 O ASN A 98 118.495 66.844 0.114 1.00 27.22 O ATOM 873 CB ASN A 98 120.407 69.229 -0.293 1.00 24.91 C ATOM 874 CG ASN A 98 121.581 70.085 0.145 1.00 29.69 C ATOM 875 OD1 ASN A 98 122.615 69.572 0.578 1.00 28.16 O ATOM 876 ND2 ASN A 98 121.426 71.396 0.032 1.00 28.95 N ATOM 877 HD22 ASN A 98 120.535 71.784 -0.339 1.00 0.00 H ATOM 878 HD21 ASN A 98 122.195 72.037 0.314 1.00 0.00 H ATOM 879 H ASN A 98 120.307 67.178 1.852 1.00 0.00 H ATOM 880 N PHE A 99 117.138 68.644 0.202 1.00 26.83 N ATOM 881 CA PHE A 99 116.020 67.975 -0.458 1.00 30.21 C ATOM 882 C PHE A 99 115.056 68.991 -1.060 1.00 32.42 C ATOM 883 O PHE A 99 113.957 68.642 -1.491 1.00 34.11 O ATOM 884 CB PHE A 99 115.276 67.052 0.515 1.00 30.72 C ATOM 885 CG PHE A 99 114.776 67.734 1.753 1.00 29.20 C ATOM 886 CD1 PHE A 99 115.621 67.950 2.829 1.00 32.24 C ATOM 887 CD2 PHE A 99 113.454 68.129 1.858 1.00 31.69 C ATOM 888 CE1 PHE A 99 115.159 68.566 3.978 1.00 31.02 C ATOM 889 CE2 PHE A 99 112.987 68.743 3.004 1.00 39.91 C ATOM 890 CZ PHE A 99 113.842 68.962 4.066 1.00 34.48 C ATOM 891 OXT PHE A 99 115.353 70.183 -1.135 1.00 34.21 O ATOM 892 H PHE A 99 117.014 69.613 0.558 1.00 0.00 H TER 893 PHE A 99 ATOM 894 N PRO B 1 114.904 72.383 0.696 1.00 45.26 N ATOM 895 CA PRO B 1 115.825 73.326 1.337 1.00 38.15 C ATOM 896 C PRO B 1 117.215 72.748 1.554 1.00 33.77 C ATOM 897 O PRO B 1 117.467 71.584 1.239 1.00 30.20 O ATOM 898 CB PRO B 1 115.152 73.609 2.682 1.00 42.54 C ATOM 899 CG PRO B 1 114.362 72.384 2.967 1.00 37.51 C ATOM 900 CD PRO B 1 113.870 71.907 1.630 1.00 35.28 C ATOM 901 HN2 PRO B 1 115.446 71.566 0.349 1.00 0.00 H ATOM 902 HN1 PRO B 1 114.441 72.857 -0.106 1.00 0.00 H ATOM 903 N GLN B 2 118.108 73.573 2.086 1.00 26.80 N ATOM 904 CA GLN B 2 119.421 73.139 2.534 1.00 30.99 C ATOM 905 C GLN B 2 119.485 73.291 4.045 1.00 35.31 C ATOM 906 O GLN B 2 119.132 74.346 4.584 1.00 28.72 O ATOM 907 CB GLN B 2 120.534 73.951 1.875 1.00 29.13 C ATOM 908 CG GLN B 2 121.918 73.589 2.377 1.00 27.65 C ATOM 909 CD GLN B 2 123.018 74.183 1.528 1.00 36.76 C ATOM 910 OE1 GLN B 2 123.267 73.732 0.410 1.00 36.28 O ATOM 911 NE2 GLN B 2 123.684 75.204 2.055 1.00 37.11 N ATOM 912 HE22 GLN B 2 123.438 75.551 3.004 1.00 0.00 H ATOM 913 HE21 GLN B 2 124.452 75.657 1.519 1.00 0.00 H ATOM 914 H GLN B 2 117.857 74.577 2.187 1.00 0.00 H ATOM 915 N ILE B 3 119.927 72.240 4.725 1.00 26.27 N ATOM 916 CA ILE B 3 120.013 72.225 6.178 1.00 24.73 C ATOM 917 C ILE B 3 121.475 72.051 6.553 1.00 23.63 C ATOM 918 O ILE B 3 122.087 71.028 6.222 1.00 20.48 O ATOM 919 CB ILE B 3 119.149 71.113 6.786 1.00 22.47 C ATOM 920 CG1 ILE B 3 117.684 71.326 6.398 1.00 30.36 C ATOM 921 CG2 ILE B 3 119.301 71.085 8.305 1.00 25.36 C ATOM 922 CD1 ILE B 3 116.775 70.188 6.782 1.00 32.98 C ATOM 923 H ILE B 3 120.224 71.394 4.199 1.00 0.00 H ATOM 924 N THR B 4 122.037 73.050 7.228 1.00 25.73 N ATOM 925 CA THR B 4 123.389 72.915 7.737 1.00 22.31 C ATOM 926 C THR B 4 123.364 72.093 9.022 1.00 16.19 C ATOM 927 O THR B 4 122.306 71.811 9.594 1.00 23.82 O ATOM 928 CB THR B 4 124.029 74.285 7.977 1.00 31.02 C ATOM 929 OG1 THR B 4 123.247 75.028 8.921 1.00 28.56 O ATOM 930 CG2 THR B 4 124.137 75.073 6.672 1.00 24.45 C ATOM 931 HG1 THR B 4 123.666 75.912 9.072 1.00 0.00 H ATOM 932 H THR B 4 121.506 73.929 7.391 1.00 0.00 H ATOM 933 N LEU B 5 124.548 71.689 9.471 1.00 17.20 N ATOM 934 CA LEU B 5 124.665 70.749 10.578 1.00 18.99 C ATOM 935 C LEU B 5 125.308 71.374 11.810 1.00 17.02 C ATOM 936 O LEU B 5 125.813 70.652 12.675 1.00 14.67 O ATOM 937 CB LEU B 5 125.435 69.513 10.116 1.00 18.53 C ATOM 938 CG LEU B 5 124.726 68.794 8.960 1.00 18.88 C ATOM 939 CD1 LEU B 5 125.607 67.703 8.367 1.00 19.54 C ATOM 940 CD2 LEU B 5 123.390 68.211 9.419 1.00 20.01 C ATOM 941 H LEU B 5 125.412 72.053 9.021 1.00 0.00 H ATOM 942 N TRP B 6 125.276 72.707 11.918 1.00 18.12 N ATOM 943 CA TRP B 6 125.741 73.362 13.137 1.00 19.16 C ATOM 944 C TRP B 6 124.934 72.905 14.342 1.00 20.23 C ATOM 945 O TRP B 6 125.473 72.752 15.445 1.00 19.63 O ATOM 946 CB TRP B 6 125.634 74.879 13.004 1.00 18.73 C ATOM 947 CG TRP B 6 126.558 75.516 12.021 1.00 23.69 C ATOM 948 CD1 TRP B 6 126.205 76.216 10.903 1.00 26.75 C ATOM 949 CD2 TRP B 6 127.990 75.554 12.082 1.00 22.33 C ATOM 950 NE1 TRP B 6 127.327 76.681 10.262 1.00 23.63 N ATOM 951 CE2 TRP B 6 128.435 76.287 10.964 1.00 22.34 C ATOM 952 CE3 TRP B 6 128.937 75.035 12.970 1.00 26.33 C ATOM 953 CZ2 TRP B 6 129.785 76.513 10.708 1.00 27.75 C ATOM 954 CZ3 TRP B 6 130.278 75.262 12.715 1.00 24.12 C ATOM 955 CH2 TRP B 6 130.689 75.996 11.593 1.00 25.10 C ATOM 956 HE1 TRP B 6 127.334 77.241 9.386 1.00 0.00 H ATOM 957 H TRP B 6 124.917 73.281 11.128 1.00 0.00 H ATOM 958 N LYS B 7 123.635 72.718 14.158 1.00 17.17 N ATOM 959 CA LYS B 7 122.757 72.218 15.199 1.00 17.73 C ATOM 960 C LYS B 7 122.060 70.964 14.690 1.00 17.66 C ATOM 961 O LYS B 7 122.154 70.605 13.513 1.00 17.05 O ATOM 962 CB LYS B 7 121.736 73.284 15.624 1.00 22.02 C ATOM 963 CG LYS B 7 120.769 73.716 14.530 1.00 24.26 C ATOM 964 CD LYS B 7 119.849 74.833 15.013 1.00 33.86 C ATOM 965 CE LYS B 7 118.697 75.057 14.044 1.00 31.21 C ATOM 966 NZ LYS B 7 117.795 76.161 14.483 1.00 48.31 N ATOM 967 HZ1 LYS B 7 117.393 75.929 15.414 1.00 0.00 H ATOM 968 HZ2 LYS B 7 118.338 77.045 14.549 1.00 0.00 H ATOM 969 HZ3 LYS B 7 117.027 76.275 13.791 1.00 0.00 H ATOM 970 H LYS B 7 123.227 72.939 13.227 1.00 0.00 H ATOM 971 N ARG B 8 121.363 70.290 15.593 1.00 17.08 N ATOM 972 CA ARG B 8 120.692 69.057 15.218 1.00 18.27 C ATOM 973 C ARG B 8 119.681 69.334 14.105 1.00 17.88 C ATOM 974 O ARG B 8 118.941 70.326 14.171 1.00 16.18 O ATOM 975 CB ARG B 8 119.994 68.443 16.427 1.00 19.38 C ATOM 976 CG ARG B 8 120.940 67.999 17.522 1.00 24.20 C ATOM 977 CD ARG B 8 120.226 67.166 18.570 1.00 27.11 C ATOM 978 NE ARG B 8 121.169 66.564 19.507 1.00 30.60 N ATOM 979 CZ ARG B 8 120.867 65.580 20.349 1.00 38.80 C ATOM 980 NH1 ARG B 8 119.641 65.066 20.377 1.00 35.11 N ATOM 981 NH2 ARG B 8 121.798 65.104 21.163 1.00 33.55 N ATOM 982 HE ARG B 8 122.143 66.929 19.517 1.00 0.00 H ATOM 983 HH12 ARG B 8 119.415 64.297 21.039 1.00 0.00 H ATOM 984 HH11 ARG B 8 118.908 65.433 19.737 1.00 0.00 H ATOM 985 HH22 ARG B 8 121.567 64.335 21.823 1.00 0.00 H ATOM 986 HH21 ARG B 8 122.759 65.500 21.141 1.00 0.00 H ATOM 987 H ARG B 8 121.296 70.643 16.569 1.00 0.00 H ATOM 988 N PRO B 9 119.631 68.492 13.055 1.00 14.06 N ATOM 989 CA PRO B 9 118.693 68.734 11.934 1.00 17.78 C ATOM 990 C PRO B 9 117.262 68.333 12.269 1.00 17.00 C ATOM 991 O PRO B 9 116.712 67.352 11.754 1.00 19.04 O ATOM 992 CB PRO B 9 119.295 67.880 10.814 1.00 18.87 C ATOM 993 CG PRO B 9 119.952 66.753 11.524 1.00 18.82 C ATOM 994 CD PRO B 9 120.525 67.352 12.780 1.00 17.03 C ATOM 995 N LEU B 10 116.640 69.117 13.147 1.00 17.65 N ATOM 996 CA LEU B 10 115.285 68.850 13.615 1.00 20.23 C ATOM 997 C LEU B 10 114.277 69.505 12.681 1.00 24.93 C ATOM 998 O LEU B 10 114.440 70.669 12.300 1.00 18.69 O ATOM 999 CB LEU B 10 115.093 69.373 15.040 1.00 23.17 C ATOM 1000 CG LEU B 10 115.810 68.618 16.156 1.00 26.84 C ATOM 1001 CD1 LEU B 10 115.840 69.449 17.433 1.00 29.35 C ATOM 1002 CD2 LEU B 10 115.116 67.289 16.404 1.00 33.96 C ATOM 1003 H LEU B 10 117.140 69.952 13.513 1.00 0.00 H ATOM 1004 N VAL B 11 113.238 68.755 12.314 1.00 21.08 N ATOM 1005 CA VAL B 11 112.172 69.258 11.457 1.00 23.34 C ATOM 1006 C VAL B 11 110.837 68.792 12.016 1.00 24.94 C ATOM 1007 O VAL B 11 110.761 67.847 12.804 1.00 24.14 O ATOM 1008 CB VAL B 11 112.326 68.792 9.990 1.00 22.23 C ATOM 1009 CG1 VAL B 11 113.602 69.360 9.385 1.00 23.58 C ATOM 1010 CG2 VAL B 11 112.322 67.270 9.902 1.00 25.28 C ATOM 1011 H VAL B 11 113.186 67.773 12.652 1.00 0.00 H ATOM 1012 N THR B 12 109.774 69.464 11.588 1.00 23.32 N ATOM 1013 CA THR B 12 108.423 69.072 11.960 1.00 24.76 C ATOM 1014 C THR B 12 107.925 68.015 10.985 1.00 22.84 C ATOM 1015 O THR B 12 108.083 68.158 9.768 1.00 24.34 O ATOM 1016 CB THR B 12 107.472 70.270 11.958 1.00 28.20 C ATOM 1017 OG1 THR B 12 108.034 71.336 12.730 1.00 24.68 O ATOM 1018 CG2 THR B 12 106.124 69.876 12.552 1.00 27.84 C ATOM 1019 HG1 THR B 12 108.174 71.030 13.661 1.00 0.00 H ATOM 1020 H THR B 12 109.911 70.291 10.972 1.00 0.00 H ATOM 1021 N ILE B 13 107.332 66.956 11.524 1.00 21.82 N ATOM 1022 CA ILE B 13 106.737 65.900 10.723 1.00 19.90 C ATOM 1023 C ILE B 13 105.265 65.796 11.094 1.00 27.86 C ATOM 1024 O ILE B 13 104.829 66.271 12.145 1.00 27.96 O ATOM 1025 CB ILE B 13 107.448 64.546 10.925 1.00 20.46 C ATOM 1026 CG1 ILE B 13 107.249 64.040 12.358 1.00 27.10 C ATOM 1027 CG2 ILE B 13 108.933 64.684 10.610 1.00 25.14 C ATOM 1028 CD1 ILE B 13 107.712 62.619 12.577 1.00 28.71 C ATOM 1029 H ILE B 13 107.292 66.880 12.560 1.00 0.00 H ATOM 1030 N LYS B 14 104.496 65.163 10.212 1.00 23.09 N ATOM 1031 CA LYS B 14 103.092 64.863 10.473 1.00 25.70 C ATOM 1032 C LYS B 14 102.888 63.368 10.286 1.00 24.30 C ATOM 1033 O LYS B 14 103.164 62.836 9.207 1.00 23.91 O ATOM 1034 CB LYS B 14 102.162 65.658 9.547 1.00 33.61 C ATOM 1035 CG LYS B 14 100.692 65.246 9.655 1.00 40.09 C ATOM 1036 CD LYS B 14 99.753 66.236 8.967 1.00 47.98 C ATOM 1037 CE LYS B 14 100.100 66.436 7.498 1.00 57.80 C ATOM 1038 NZ LYS B 14 99.117 67.316 6.803 1.00 74.10 N ATOM 1039 HZ1 LYS B 14 98.171 66.887 6.857 1.00 0.00 H ATOM 1040 HZ2 LYS B 14 99.103 68.249 7.263 1.00 0.00 H ATOM 1041 HZ3 LYS B 14 99.394 67.423 5.806 1.00 0.00 H ATOM 1042 H LYS B 14 104.910 64.871 9.304 1.00 0.00 H ATOM 1043 N ILE B 15 102.419 62.695 11.332 1.00 26.30 N ATOM 1044 CA ILE B 15 102.224 61.248 11.300 1.00 30.56 C ATOM 1045 C ILE B 15 100.983 60.907 12.107 1.00 34.94 C ATOM 1046 O ILE B 15 100.836 61.345 13.253 1.00 32.25 O ATOM 1047 CB ILE B 15 103.440 60.477 11.850 1.00 32.32 C ATOM 1048 CG1 ILE B 15 103.074 58.998 12.027 1.00 30.99 C ATOM 1049 CG2 ILE B 15 103.903 61.064 13.176 1.00 29.49 C ATOM 1050 CD1 ILE B 15 104.254 58.084 12.129 1.00 35.09 C ATOM 1051 H ILE B 15 102.183 63.216 12.201 1.00 0.00 H ATOM 1052 N GLY B 16 100.103 60.106 11.515 1.00 41.14 N ATOM 1053 CA GLY B 16 98.878 59.718 12.200 1.00 44.86 C ATOM 1054 C GLY B 16 98.078 60.899 12.696 1.00 39.57 C ATOM 1055 O GLY B 16 97.522 60.857 13.802 1.00 40.69 O ATOM 1056 H GLY B 16 100.291 59.753 10.555 1.00 0.00 H ATOM 1057 N GLY B 17 98.012 61.964 11.900 1.00 36.21 N ATOM 1058 CA GLY B 17 97.268 63.146 12.285 1.00 35.43 C ATOM 1059 C GLY B 17 97.867 63.928 13.432 1.00 43.25 C ATOM 1060 O GLY B 17 97.150 64.681 14.098 1.00 33.57 O ATOM 1061 H GLY B 17 98.504 61.947 10.984 1.00 0.00 H ATOM 1062 N GLN B 18 99.164 63.775 13.686 1.00 38.60 N ATOM 1063 CA GLN B 18 99.837 64.480 14.767 1.00 36.48 C ATOM 1064 C GLN B 18 101.130 65.097 14.257 1.00 34.01 C ATOM 1065 O GLN B 18 101.768 64.572 13.341 1.00 31.47 O ATOM 1066 CB GLN B 18 100.143 63.547 15.942 1.00 42.14 C ATOM 1067 CG GLN B 18 98.993 63.381 16.914 1.00 46.75 C ATOM 1068 CD GLN B 18 99.424 62.733 18.214 1.00 56.58 C ATOM 1069 OE1 GLN B 18 100.142 61.733 18.215 1.00 57.03 O ATOM 1070 NE2 GLN B 18 98.994 63.309 19.332 1.00 61.98 N ATOM 1071 HE22 GLN B 18 98.389 64.153 19.282 1.00 0.00 H ATOM 1072 HE21 GLN B 18 99.263 62.916 20.256 1.00 0.00 H ATOM 1073 H GLN B 18 99.718 63.127 13.090 1.00 0.00 H ATOM 1074 N LEU B 19 101.509 66.217 14.864 1.00 32.00 N ATOM 1075 CA LEU B 19 102.750 66.905 14.536 1.00 32.60 C ATOM 1076 C LEU B 19 103.798 66.594 15.595 1.00 37.60 C ATOM 1077 O LEU B 19 103.518 66.680 16.796 1.00 33.43 O ATOM 1078 CB LEU B 19 102.534 68.415 14.443 1.00 34.25 C ATOM 1079 CG LEU B 19 101.609 68.938 13.342 1.00 31.82 C ATOM 1080 CD1 LEU B 19 101.656 70.455 13.339 1.00 27.32 C ATOM 1081 CD2 LEU B 19 101.984 68.393 11.972 1.00 33.12 C ATOM 1082 H LEU B 19 100.895 66.618 15.602 1.00 0.00 H ATOM 1083 N LYS B 20 105.000 66.241 15.145 1.00 31.08 N ATOM 1084 CA LYS B 20 106.116 65.956 16.033 1.00 29.32 C ATOM 1085 C LYS B 20 107.385 66.553 15.439 1.00 27.37 C ATOM 1086 O LYS B 20 107.415 66.981 14.282 1.00 27.57 O ATOM 1087 CB LYS B 20 106.277 64.447 16.253 1.00 27.17 C ATOM 1088 CG LYS B 20 105.023 63.776 16.789 1.00 34.48 C ATOM 1089 CD LYS B 20 105.235 62.294 17.049 1.00 43.73 C ATOM 1090 CE LYS B 20 104.047 61.681 17.777 1.00 45.86 C ATOM 1091 NZ LYS B 20 103.804 62.314 19.105 1.00 46.35 N ATOM 1092 HZ1 LYS B 20 104.645 62.193 19.704 1.00 0.00 H ATOM 1093 HZ2 LYS B 20 103.613 63.328 18.975 1.00 0.00 H ATOM 1094 HZ3 LYS B 20 102.985 61.861 19.559 1.00 0.00 H ATOM 1095 H LYS B 20 105.147 66.166 14.118 1.00 0.00 H ATOM 1096 N GLU B 21 108.437 66.598 16.252 1.00 26.43 N ATOM 1097 CA GLU B 21 109.762 67.008 15.809 1.00 24.99 C ATOM 1098 C GLU B 21 110.654 65.777 15.714 1.00 26.42 C ATOM 1099 O GLU B 21 110.623 64.911 16.595 1.00 20.20 O ATOM 1100 CB GLU B 21 110.383 68.030 16.770 1.00 28.68 C ATOM 1101 CG GLU B 21 109.616 69.345 16.920 1.00 37.41 C ATOM 1102 CD GLU B 21 109.763 70.262 15.716 1.00 46.74 C ATOM 1103 OE1 GLU B 21 108.798 70.372 14.931 1.00 47.55 O ATOM 1104 OE2 GLU B 21 110.844 70.871 15.553 1.00 48.08 O ATOM 1105 H GLU B 21 108.307 66.328 17.248 1.00 0.00 H ATOM 1106 N ALA B 22 111.439 65.693 14.640 1.00 18.75 N ATOM 1107 CA ALA B 22 112.301 64.542 14.409 1.00 17.47 C ATOM 1108 C ALA B 22 113.594 64.984 13.740 1.00 17.16 C ATOM 1109 O ALA B 22 113.633 65.997 13.038 1.00 18.19 O ATOM 1110 CB ALA B 22 111.612 63.483 13.529 1.00 16.84 C ATOM 1111 H ALA B 22 111.436 66.470 13.949 1.00 0.00 H ATOM 1112 N LEU B 23 114.649 64.204 13.969 1.00 16.79 N ATOM 1113 CA LEU B 23 115.927 64.403 13.298 1.00 16.89 C ATOM 1114 C LEU B 23 115.931 63.757 11.918 1.00 21.50 C ATOM 1115 O LEU B 23 115.498 62.613 11.753 1.00 19.49 O ATOM 1116 CB LEU B 23 117.065 63.790 14.117 1.00 17.19 C ATOM 1117 CG LEU B 23 117.463 64.401 15.451 1.00 25.46 C ATOM 1118 CD1 LEU B 23 118.626 63.624 16.050 1.00 30.18 C ATOM 1119 CD2 LEU B 23 117.844 65.840 15.263 1.00 26.54 C ATOM 1120 H LEU B 23 114.557 63.425 14.651 1.00 0.00 H ATOM 1121 N LEU B 24 116.459 64.484 10.933 1.00 14.70 N ATOM 1122 CA LEU B 24 116.829 63.884 9.655 1.00 18.04 C ATOM 1123 C LEU B 24 118.161 63.171 9.853 1.00 18.74 C ATOM 1124 O LEU B 24 119.206 63.820 9.966 1.00 13.94 O ATOM 1125 CB LEU B 24 116.932 64.946 8.564 1.00 17.56 C ATOM 1126 CG LEU B 24 115.696 65.815 8.313 1.00 19.64 C ATOM 1127 CD1 LEU B 24 115.982 66.834 7.219 1.00 22.74 C ATOM 1128 CD2 LEU B 24 114.493 64.963 7.944 1.00 22.17 C ATOM 1129 H LEU B 24 116.611 65.502 11.079 1.00 0.00 H ATOM 1130 N ASP B 25 118.133 61.840 9.899 1.00 15.55 N ATOM 1131 CA ASP B 25 119.262 61.052 10.390 1.00 16.21 C ATOM 1132 C ASP B 25 119.759 60.100 9.307 1.00 17.32 C ATOM 1133 O ASP B 25 119.192 59.021 9.109 1.00 12.97 O ATOM 1134 CB ASP B 25 118.870 60.280 11.644 1.00 14.01 C ATOM 1135 CG ASP B 25 120.059 59.643 12.314 1.00 16.04 C ATOM 1136 OD1 ASP B 25 121.169 59.735 11.744 1.00 13.85 O ATOM 1137 OD2 ASP B 25 119.893 59.061 13.406 1.00 16.47 O ATOM 1138 H ASP B 25 117.278 61.344 9.574 1.00 0.00 H ATOM 1139 N THR B 26 120.846 60.485 8.634 1.00 14.84 N ATOM 1140 CA THR B 26 121.444 59.624 7.623 1.00 15.92 C ATOM 1141 C THR B 26 122.074 58.373 8.220 1.00 16.57 C ATOM 1142 O THR B 26 122.349 57.421 7.481 1.00 17.28 O ATOM 1143 CB THR B 26 122.497 60.399 6.830 1.00 17.00 C ATOM 1144 OG1 THR B 26 123.545 60.836 7.704 1.00 15.91 O ATOM 1145 CG2 THR B 26 121.869 61.599 6.151 1.00 14.93 C ATOM 1146 HG1 THR B 26 123.970 60.048 8.128 1.00 0.00 H ATOM 1147 H THR B 26 121.272 61.413 8.835 1.00 0.00 H ATOM 1148 N GLY B 27 122.312 58.349 9.529 1.00 13.85 N ATOM 1149 CA GLY B 27 122.853 57.183 10.188 1.00 14.16 C ATOM 1150 C GLY B 27 121.828 56.167 10.636 1.00 16.64 C ATOM 1151 O GLY B 27 122.200 55.105 11.138 1.00 14.07 O ATOM 1152 H GLY B 27 122.102 59.196 10.095 1.00 0.00 H ATOM 1153 N ALA B 28 120.541 56.454 10.469 1.00 20.23 N ATOM 1154 CA ALA B 28 119.475 55.537 10.846 1.00 17.06 C ATOM 1155 C ALA B 28 118.978 54.814 9.600 1.00 19.26 C ATOM 1156 O ALA B 28 118.514 55.457 8.652 1.00 16.12 O ATOM 1157 CB ALA B 28 118.332 56.292 11.523 1.00 15.65 C ATOM 1158 H ALA B 28 120.285 57.372 10.052 1.00 0.00 H ATOM 1159 N ASP B 29 119.087 53.482 9.595 1.00 18.30 N ATOM 1160 CA ASP B 29 118.527 52.704 8.493 1.00 22.54 C ATOM 1161 C ASP B 29 117.030 52.941 8.370 1.00 23.04 C ATOM 1162 O ASP B 29 116.508 53.144 7.267 1.00 20.11 O ATOM 1163 CB ASP B 29 118.792 51.210 8.692 1.00 23.80 C ATOM 1164 CG ASP B 29 120.247 50.836 8.537 1.00 26.55 C ATOM 1165 OD1 ASP B 29 121.007 51.582 7.883 1.00 21.79 O ATOM 1166 OD2 ASP B 29 120.626 49.766 9.058 1.00 27.88 O ATOM 1167 H ASP B 29 119.572 52.998 10.378 1.00 0.00 H ATOM 1168 N ASP B 30 116.321 52.907 9.497 1.00 20.30 N ATOM 1169 CA ASP B 30 114.873 53.005 9.512 1.00 20.37 C ATOM 1170 C ASP B 30 114.416 54.068 10.500 1.00 20.85 C ATOM 1171 O ASP B 30 115.080 54.352 11.499 1.00 21.26 O ATOM 1172 CB ASP B 30 114.241 51.657 9.862 1.00 20.04 C ATOM 1173 CG ASP B 30 114.340 50.665 8.723 1.00 24.66 C ATOM 1174 OD1 ASP B 30 113.763 50.937 7.647 1.00 25.34 O ATOM 1175 OD2 ASP B 30 115.013 49.631 8.892 1.00 28.30 O ATOM 1176 H ASP B 30 116.825 52.806 10.401 1.00 0.00 H ATOM 1177 N THR B 31 113.263 54.648 10.192 1.00 18.51 N ATOM 1178 CA THR B 31 112.664 55.682 11.022 1.00 13.89 C ATOM 1179 C THR B 31 112.207 55.100 12.357 1.00 18.54 C ATOM 1180 O THR B 31 111.569 54.043 12.400 1.00 19.89 O ATOM 1181 CB THR B 31 111.485 56.300 10.266 1.00 19.79 C ATOM 1182 OG1 THR B 31 111.961 56.870 9.041 1.00 20.07 O ATOM 1183 CG2 THR B 31 110.790 57.372 11.081 1.00 18.05 C ATOM 1184 HG1 THR B 31 112.377 56.162 8.489 1.00 0.00 H ATOM 1185 H THR B 31 112.769 54.353 9.326 1.00 0.00 H ATOM 1186 N VAL B 32 112.530 55.794 13.449 1.00 18.04 N ATOM 1187 CA VAL B 32 112.141 55.386 14.796 1.00 18.85 C ATOM 1188 C VAL B 32 111.518 56.583 15.499 1.00 22.12 C ATOM 1189 O VAL B 32 112.121 57.661 15.545 1.00 16.95 O ATOM 1190 CB VAL B 32 113.336 54.863 15.614 1.00 19.42 C ATOM 1191 CG1 VAL B 32 112.846 54.197 16.901 1.00 19.61 C ATOM 1192 CG2 VAL B 32 114.186 53.906 14.792 1.00 24.95 C ATOM 1193 H VAL B 32 113.085 56.666 13.336 1.00 0.00 H ATOM 1194 N LEU B 33 110.328 56.395 16.067 1.00 20.48 N ATOM 1195 CA LEU B 33 109.628 57.481 16.735 1.00 19.82 C ATOM 1196 C LEU B 33 109.285 57.115 18.172 1.00 25.01 C ATOM 1197 O LEU B 33 109.105 55.940 18.515 1.00 20.03 O ATOM 1198 CB LEU B 33 108.343 57.860 15.997 1.00 19.33 C ATOM 1199 CG LEU B 33 108.469 58.357 14.554 1.00 23.19 C ATOM 1200 CD1 LEU B 33 107.092 58.716 14.053 1.00 28.99 C ATOM 1201 CD2 LEU B 33 109.405 59.551 14.430 1.00 23.18 C ATOM 1202 H LEU B 33 109.890 55.452 16.032 1.00 0.00 H ATOM 1203 N GLU B 34 109.197 58.152 19.003 1.00 21.46 N ATOM 1204 CA GLU B 34 108.776 58.043 20.393 1.00 26.33 C ATOM 1205 C GLU B 34 107.484 57.253 20.516 1.00 28.82 C ATOM 1206 O GLU B 34 106.702 57.174 19.562 1.00 24.10 O ATOM 1207 CB GLU B 34 108.583 59.437 20.990 1.00 30.16 C ATOM 1208 CG GLU B 34 107.494 60.246 20.286 1.00 40.71 C ATOM 1209 CD GLU B 34 107.297 61.622 20.889 1.00 52.45 C ATOM 1210 OE1 GLU B 34 107.757 62.612 20.282 1.00 44.79 O ATOM 1211 OE2 GLU B 34 106.685 61.711 21.974 1.00 64.04 O ATOM 1212 H GLU B 34 109.443 59.094 18.638 1.00 0.00 H ATOM 1213 N GLU B 35 107.248 56.683 21.694 1.00 31.36 N ATOM 1214 CA GLU B 35 106.041 55.906 21.944 1.00 32.52 C ATOM 1215 C GLU B 35 104.798 56.686 21.540 1.00 33.05 C ATOM 1216 O GLU B 35 104.571 57.807 22.007 1.00 30.92 O ATOM 1217 CB GLU B 35 105.977 55.526 23.425 1.00 36.67 C ATOM 1218 CG GLU B 35 104.731 54.757 23.815 1.00 38.28 C ATOM 1219 CD GLU B 35 104.512 53.529 22.957 1.00 39.23 C ATOM 1220 OE1 GLU B 35 105.477 52.757 22.764 1.00 30.13 O ATOM 1221 OE2 GLU B 35 103.378 53.341 22.467 1.00 39.34 O ATOM 1222 H GLU B 35 107.944 56.795 22.458 1.00 0.00 H ATOM 1223 N MET B 36 104.001 56.091 20.657 1.00 29.31 N ATOM 1224 CA MET B 36 102.733 56.671 20.247 1.00 40.36 C ATOM 1225 C MET B 36 101.797 55.536 19.862 1.00 36.87 C ATOM 1226 O MET B 36 102.237 54.492 19.374 1.00 32.13 O ATOM 1227 CB MET B 36 102.905 57.659 19.085 1.00 38.00 C ATOM 1228 CG MET B 36 103.269 57.029 17.750 1.00 38.09 C ATOM 1229 SD MET B 36 103.657 58.268 16.492 1.00 39.07 S ATOM 1230 CE MET B 36 102.143 59.227 16.464 1.00 46.77 C ATOM 1231 H MET B 36 104.295 55.182 20.247 1.00 0.00 H ATOM 1232 N ASN B 37 100.501 55.747 20.090 1.00 39.69 N ATOM 1233 CA ASN B 37 99.512 54.678 19.947 1.00 46.05 C ATOM 1234 C ASN B 37 98.924 54.718 18.539 1.00 42.46 C ATOM 1235 O ASN B 37 97.824 55.219 18.299 1.00 48.75 O ATOM 1236 CB ASN B 37 98.430 54.810 21.011 1.00 49.62 C ATOM 1237 CG ASN B 37 97.528 53.596 21.074 1.00 67.94 C ATOM 1238 OD1 ASN B 37 97.989 52.460 20.955 1.00 57.53 O ATOM 1239 ND2 ASN B 37 96.231 53.831 21.254 1.00 63.25 N ATOM 1240 HD22 ASN B 37 95.888 54.808 21.349 1.00 0.00 H ATOM 1241 HD21 ASN B 37 95.560 53.038 21.299 1.00 0.00 H ATOM 1242 H ASN B 37 100.185 56.695 20.377 1.00 0.00 H ATOM 1243 N LEU B 38 99.681 54.161 17.590 1.00 39.31 N ATOM 1244 CA LEU B 38 99.209 54.050 16.215 1.00 34.67 C ATOM 1245 C LEU B 38 98.237 52.876 16.083 1.00 46.96 C ATOM 1246 O LEU B 38 98.450 51.823 16.691 1.00 41.59 O ATOM 1247 CB LEU B 38 100.376 53.842 15.251 1.00 40.87 C ATOM 1248 CG LEU B 38 101.311 55.013 14.956 1.00 41.75 C ATOM 1249 CD1 LEU B 38 102.457 54.535 14.075 1.00 34.51 C ATOM 1250 CD2 LEU B 38 100.565 56.159 14.290 1.00 43.25 C ATOM 1251 H LEU B 38 100.625 53.800 17.836 1.00 0.00 H ATOM 1252 N PRO B 39 97.178 53.016 15.292 1.00 44.93 N ATOM 1253 CA PRO B 39 96.310 51.871 15.007 1.00 48.60 C ATOM 1254 C PRO B 39 96.961 50.931 14.001 1.00 34.09 C ATOM 1255 O PRO B 39 97.932 51.267 13.325 1.00 40.36 O ATOM 1256 CB PRO B 39 95.045 52.514 14.431 1.00 47.16 C ATOM 1257 CG PRO B 39 95.526 53.773 13.805 1.00 49.31 C ATOM 1258 CD PRO B 39 96.713 54.239 14.612 1.00 48.20 C ATOM 1259 N GLY B 40 96.401 49.731 13.917 1.00 46.38 N ATOM 1260 CA GLY B 40 96.863 48.732 12.979 1.00 40.10 C ATOM 1261 C GLY B 40 97.747 47.685 13.637 1.00 41.38 C ATOM 1262 O GLY B 40 98.128 47.778 14.806 1.00 41.91 O ATOM 1263 H GLY B 40 95.605 49.502 14.546 1.00 0.00 H ATOM 1264 N ARG B 41 98.069 46.666 12.849 1.00 36.85 N ATOM 1265 CA ARG B 41 98.937 45.595 13.304 1.00 43.99 C ATOM 1266 C ARG B 41 100.399 46.030 13.241 1.00 37.61 C ATOM 1267 O ARG B 41 100.757 47.021 12.599 1.00 33.51 O ATOM 1268 CB ARG B 41 98.724 44.339 12.458 1.00 43.87 C ATOM 1269 CG ARG B 41 97.364 43.679 12.655 1.00 50.77 C ATOM 1270 CD ARG B 41 97.311 42.305 12.002 1.00 59.73 C ATOM 1271 NE ARG B 41 98.357 41.423 12.515 1.00 61.87 N ATOM 1272 CZ ARG B 41 98.575 40.183 12.088 1.00 55.60 C ATOM 1273 NH1 ARG B 41 97.821 39.656 11.132 1.00 54.18 N ATOM 1274 NH2 ARG B 41 99.555 39.466 12.620 1.00 59.65 N ATOM 1275 HE ARG B 41 98.974 41.791 13.267 1.00 0.00 H ATOM 1276 HH12 ARG B 41 97.999 38.685 10.805 1.00 0.00 H ATOM 1277 HH11 ARG B 41 97.051 40.214 10.710 1.00 0.00 H ATOM 1278 HH22 ARG B 41 99.728 38.496 12.288 1.00 0.00 H ATOM 1279 HH21 ARG B 41 100.150 39.874 13.369 1.00 0.00 H ATOM 1280 H ARG B 41 97.690 46.634 11.881 1.00 0.00 H ATOM 1281 N TRP B 42 101.250 45.266 13.918 1.00 34.20 N ATOM 1282 CA TRP B 42 102.669 45.583 13.985 1.00 32.42 C ATOM 1283 C TRP B 42 103.441 44.306 14.277 1.00 35.07 C ATOM 1284 O TRP B 42 102.865 43.281 14.649 1.00 26.94 O ATOM 1285 CB TRP B 42 102.940 46.647 15.049 1.00 27.33 C ATOM 1286 CG TRP B 42 102.345 46.312 16.381 1.00 33.94 C ATOM 1287 CD1 TRP B 42 101.090 46.620 16.818 1.00 37.21 C ATOM 1288 CD2 TRP B 42 102.977 45.599 17.451 1.00 35.28 C ATOM 1289 NE1 TRP B 42 100.902 46.146 18.093 1.00 37.96 N ATOM 1290 CE2 TRP B 42 102.045 45.512 18.504 1.00 34.66 C ATOM 1291 CE3 TRP B 42 104.240 45.024 17.620 1.00 34.67 C ATOM 1292 CZ2 TRP B 42 102.338 44.881 19.710 1.00 35.69 C ATOM 1293 CZ3 TRP B 42 104.529 44.397 18.818 1.00 32.93 C ATOM 1294 CH2 TRP B 42 103.582 44.329 19.847 1.00 37.62 C ATOM 1295 HE1 TRP B 42 100.033 46.251 18.655 1.00 0.00 H ATOM 1296 H TRP B 42 100.894 44.422 14.411 1.00 0.00 H ATOM 1297 N LYS B 43 104.761 44.380 14.098 1.00 28.21 N ATOM 1298 CA LYS B 43 105.635 43.237 14.310 1.00 28.15 C ATOM 1299 C LYS B 43 106.739 43.622 15.291 1.00 29.52 C ATOM 1300 O LYS B 43 107.326 44.709 15.159 1.00 23.74 O ATOM 1301 CB LYS B 43 106.243 42.765 12.984 1.00 27.30 C ATOM 1302 H LYS B 43 105.178 45.284 13.797 1.00 0.00 H ATOM 1303 N PRO B 44 107.052 42.774 16.275 1.00 25.78 N ATOM 1304 CA PRO B 44 108.146 43.098 17.201 1.00 25.09 C ATOM 1305 C PRO B 44 109.489 43.145 16.490 1.00 19.27 C ATOM 1306 O PRO B 44 109.744 42.400 15.542 1.00 21.87 O ATOM 1307 CB PRO B 44 108.106 41.953 18.222 1.00 30.11 C ATOM 1308 CG PRO B 44 106.788 41.291 18.037 1.00 23.48 C ATOM 1309 CD PRO B 44 106.405 41.496 16.616 1.00 27.15 C ATOM 1310 N LYS B 45 110.363 44.014 16.986 1.00 20.12 N ATOM 1311 CA LYS B 45 111.698 44.162 16.427 1.00 19.69 C ATOM 1312 C LYS B 45 112.606 44.757 17.493 1.00 21.46 C ATOM 1313 O LYS B 45 112.148 45.409 18.434 1.00 20.75 O ATOM 1314 CB LYS B 45 111.690 45.044 15.173 1.00 22.81 C ATOM 1315 CG LYS B 45 113.005 45.054 14.410 1.00 25.19 C ATOM 1316 CD LYS B 45 112.929 45.918 13.163 1.00 32.22 C ATOM 1317 CE LYS B 45 114.188 45.775 12.323 1.00 35.08 C ATOM 1318 NZ LYS B 45 114.180 46.654 11.123 1.00 47.33 N ATOM 1319 HZ1 LYS B 45 113.366 46.411 10.523 1.00 0.00 H ATOM 1320 HZ2 LYS B 45 114.107 47.647 11.423 1.00 0.00 H ATOM 1321 HZ3 LYS B 45 115.061 46.516 10.588 1.00 0.00 H ATOM 1322 H LYS B 45 110.085 44.604 17.796 1.00 0.00 H ATOM 1323 N MET B 46 113.902 44.514 17.336 1.00 18.05 N ATOM 1324 CA MET B 46 114.915 45.114 18.190 1.00 17.86 C ATOM 1325 C MET B 46 115.927 45.813 17.297 1.00 22.17 C ATOM 1326 O MET B 46 116.349 45.259 16.275 1.00 19.91 O ATOM 1327 CB MET B 46 115.576 44.058 19.085 1.00 24.19 C ATOM 1328 CG MET B 46 114.859 43.903 20.425 1.00 24.39 C ATOM 1329 SD MET B 46 115.344 42.464 21.396 1.00 48.21 S ATOM 1330 CE MET B 46 116.690 43.153 22.358 1.00 30.74 C ATOM 1331 H MET B 46 114.203 43.872 16.575 1.00 0.00 H ATOM 1332 N ILE B 47 116.280 47.045 17.657 1.00 18.23 N ATOM 1333 CA ILE B 47 117.226 47.845 16.891 1.00 20.23 C ATOM 1334 C ILE B 47 118.356 48.252 17.819 1.00 19.27 C ATOM 1335 O ILE B 47 118.135 48.501 19.009 1.00 18.27 O ATOM 1336 CB ILE B 47 116.559 49.078 16.247 1.00 21.10 C ATOM 1337 CG1 ILE B 47 115.898 49.967 17.306 1.00 24.62 C ATOM 1338 CG2 ILE B 47 115.544 48.628 15.206 1.00 26.21 C ATOM 1339 CD1 ILE B 47 115.424 51.307 16.765 1.00 24.25 C ATOM 1340 H ILE B 47 115.864 47.452 18.519 1.00 0.00 H ATOM 1341 N GLY B 48 119.569 48.296 17.278 1.00 19.38 N ATOM 1342 CA GLY B 48 120.762 48.466 18.080 1.00 23.33 C ATOM 1343 C GLY B 48 121.549 49.694 17.669 1.00 19.42 C ATOM 1344 O GLY B 48 121.530 50.109 16.508 1.00 16.37 O ATOM 1345 H GLY B 48 119.664 48.205 16.246 1.00 0.00 H ATOM 1346 N GLY B 49 122.232 50.271 18.631 1.00 19.15 N ATOM 1347 CA GLY B 49 123.115 51.390 18.379 1.00 18.61 C ATOM 1348 C GLY B 49 124.053 51.538 19.546 1.00 20.04 C ATOM 1349 O GLY B 49 124.314 50.582 20.279 1.00 18.04 O ATOM 1350 H GLY B 49 122.136 49.913 19.603 1.00 0.00 H ATOM 1351 N ILE B 50 124.559 52.755 19.728 1.00 17.90 N ATOM 1352 CA ILE B 50 125.429 53.040 20.862 1.00 19.63 C ATOM 1353 C ILE B 50 124.646 52.789 22.143 1.00 17.28 C ATOM 1354 O ILE B 50 123.553 53.333 22.337 1.00 18.05 O ATOM 1355 CB ILE B 50 125.965 54.473 20.776 1.00 19.37 C ATOM 1356 CG1 ILE B 50 126.990 54.571 19.641 1.00 16.00 C ATOM 1357 CG2 ILE B 50 126.580 54.916 22.105 1.00 20.19 C ATOM 1358 CD1 ILE B 50 127.373 55.990 19.272 1.00 16.88 C ATOM 1359 H ILE B 50 124.331 53.512 19.053 1.00 0.00 H ATOM 1360 N GLY B 51 125.193 51.944 23.015 1.00 22.80 N ATOM 1361 CA GLY B 51 124.545 51.593 24.260 1.00 24.34 C ATOM 1362 C GLY B 51 123.790 50.281 24.236 1.00 26.02 C ATOM 1363 O GLY B 51 123.425 49.778 25.306 1.00 22.74 O ATOM 1364 H GLY B 51 126.117 51.522 22.793 1.00 0.00 H ATOM 1365 N GLY B 52 123.546 49.711 23.055 1.00 20.79 N ATOM 1366 CA GLY B 52 122.834 48.455 22.938 1.00 22.50 C ATOM 1367 C GLY B 52 121.535 48.615 22.166 1.00 20.41 C ATOM 1368 O GLY B 52 121.424 49.468 21.273 1.00 16.36 O ATOM 1369 H GLY B 52 123.878 50.184 22.190 1.00 0.00 H ATOM 1370 N PHE B 53 120.550 47.797 22.530 1.00 21.90 N ATOM 1371 CA PHE B 53 119.324 47.636 21.763 1.00 20.07 C ATOM 1372 C PHE B 53 118.116 48.128 22.549 1.00 21.01 C ATOM 1373 O PHE B 53 118.123 48.145 23.784 1.00 22.07 O ATOM 1374 CB PHE B 53 119.106 46.164 21.384 1.00 22.81 C ATOM 1375 CG PHE B 53 120.029 45.671 20.308 1.00 21.04 C ATOM 1376 CD1 PHE B 53 121.370 45.458 20.574 1.00 22.27 C ATOM 1377 CD2 PHE B 53 119.554 45.418 19.032 1.00 19.86 C ATOM 1378 CE1 PHE B 53 122.220 45.007 19.588 1.00 20.50 C ATOM 1379 CE2 PHE B 53 120.401 44.966 18.040 1.00 24.82 C ATOM 1380 CZ PHE B 53 121.738 44.761 18.320 1.00 26.67 C ATOM 1381 H PHE B 53 120.662 47.246 23.405 1.00 0.00 H ATOM 1382 N ILE B 54 117.075 48.524 21.812 1.00 16.66 N ATOM 1383 CA ILE B 54 115.754 48.778 22.372 1.00 20.49 C ATOM 1384 C ILE B 54 114.737 47.958 21.591 1.00 21.84 C ATOM 1385 O ILE B 54 114.949 47.620 20.422 1.00 18.48 O ATOM 1386 CB ILE B 54 115.361 50.275 22.348 1.00 19.34 C ATOM 1387 CG1 ILE B 54 115.345 50.826 20.916 1.00 19.41 C ATOM 1388 CG2 ILE B 54 116.298 51.087 23.226 1.00 24.21 C ATOM 1389 CD1 ILE B 54 114.647 52.173 20.800 1.00 23.98 C ATOM 1390 H ILE B 54 117.214 48.657 20.790 1.00 0.00 H ATOM 1391 N LYS B 55 113.621 47.646 22.243 1.00 20.02 N ATOM 1392 CA LYS B 55 112.528 46.929 21.601 1.00 21.24 C ATOM 1393 C LYS B 55 111.546 47.937 21.022 1.00 17.71 C ATOM 1394 O LYS B 55 111.169 48.900 21.697 1.00 20.15 O ATOM 1395 CB LYS B 55 111.817 46.008 22.596 1.00 27.11 C ATOM 1396 CG LYS B 55 110.837 45.044 21.931 1.00 35.42 C ATOM 1397 CD LYS B 55 110.282 44.005 22.899 1.00 54.84 C ATOM 1398 CE LYS B 55 109.071 44.523 23.664 1.00 65.02 C ATOM 1399 NZ LYS B 55 108.344 43.424 24.365 1.00 69.10 N ATOM 1400 HZ1 LYS B 55 108.015 42.727 23.667 1.00 0.00 H ATOM 1401 HZ2 LYS B 55 108.985 42.963 25.042 1.00 0.00 H ATOM 1402 HZ3 LYS B 55 107.527 43.819 24.873 1.00 0.00 H ATOM 1403 H LYS B 55 113.526 47.922 23.241 1.00 0.00 H ATOM 1404 N VAL B 56 111.133 47.711 19.773 1.00 21.87 N ATOM 1405 CA VAL B 56 110.243 48.625 19.072 1.00 18.03 C ATOM 1406 C VAL B 56 109.128 47.840 18.394 1.00 17.87 C ATOM 1407 O VAL B 56 109.214 46.627 18.195 1.00 19.41 O ATOM 1408 CB VAL B 56 110.988 49.483 18.025 1.00 19.05 C ATOM 1409 CG1 VAL B 56 112.037 50.356 18.699 1.00 21.09 C ATOM 1410 CG2 VAL B 56 111.621 48.596 16.956 1.00 20.40 C ATOM 1411 H VAL B 56 111.458 46.853 19.284 1.00 0.00 H ATOM 1412 N ARG B 57 108.070 48.561 18.035 1.00 20.38 N ATOM 1413 CA ARG B 57 106.965 48.012 17.262 1.00 20.31 C ATOM 1414 C ARG B 57 107.080 48.505 15.827 1.00 20.58 C ATOM 1415 O ARG B 57 107.160 49.715 15.585 1.00 22.68 O ATOM 1416 CB ARG B 57 105.618 48.418 17.867 1.00 23.22 C ATOM 1417 CG ARG B 57 105.471 48.023 19.330 1.00 28.28 C ATOM 1418 CD ARG B 57 104.040 48.167 19.842 1.00 29.67 C ATOM 1419 NE ARG B 57 103.489 49.510 19.680 1.00 31.58 N ATOM 1420 CZ ARG B 57 103.730 50.528 20.502 1.00 35.23 C ATOM 1421 NH1 ARG B 57 104.529 50.375 21.552 1.00 35.92 N ATOM 1422 NH2 ARG B 57 103.174 51.710 20.269 1.00 34.66 N ATOM 1423 HE ARG B 57 102.865 49.682 18.866 1.00 0.00 H ATOM 1424 HH12 ARG B 57 104.711 51.177 22.188 1.00 0.00 H ATOM 1425 HH11 ARG B 57 104.973 49.453 21.738 1.00 0.00 H ATOM 1426 HH22 ARG B 57 103.360 52.508 20.910 1.00 0.00 H ATOM 1427 HH21 ARG B 57 102.552 51.839 19.446 1.00 0.00 H ATOM 1428 H ARG B 57 108.030 49.561 18.319 1.00 0.00 H ATOM 1429 N GLN B 58 107.104 47.573 14.882 1.00 21.10 N ATOM 1430 CA GLN B 58 107.294 47.898 13.473 1.00 20.99 C ATOM 1431 C GLN B 58 105.933 48.000 12.798 1.00 30.99 C ATOM 1432 O GLN B 58 105.220 46.998 12.662 1.00 28.50 O ATOM 1433 CB GLN B 58 108.162 46.853 12.778 1.00 18.33 C ATOM 1434 CG GLN B 58 108.203 47.009 11.263 1.00 24.15 C ATOM 1435 CD GLN B 58 109.080 45.983 10.583 1.00 35.25 C ATOM 1436 OE1 GLN B 58 109.916 45.339 11.218 1.00 35.09 O ATOM 1437 NE2 GLN B 58 108.889 45.821 9.277 1.00 38.64 N ATOM 1438 HE22 GLN B 58 108.171 46.388 8.782 1.00 0.00 H ATOM 1439 HE21 GLN B 58 109.458 45.128 8.750 1.00 0.00 H ATOM 1440 H GLN B 58 106.983 46.577 15.156 1.00 0.00 H ATOM 1441 N TYR B 59 105.582 49.210 12.377 1.00 23.41 N ATOM 1442 CA TYR B 59 104.422 49.455 11.534 1.00 26.86 C ATOM 1443 C TYR B 59 104.892 49.690 10.106 1.00 30.27 C ATOM 1444 O TYR B 59 105.894 50.373 9.878 1.00 28.00 O ATOM 1445 CB TYR B 59 103.635 50.669 12.030 1.00 27.39 C ATOM 1446 CG TYR B 59 103.073 50.530 13.428 1.00 29.65 C ATOM 1447 CD1 TYR B 59 103.845 50.833 14.540 1.00 29.68 C ATOM 1448 CD2 TYR B 59 101.764 50.110 13.634 1.00 32.80 C ATOM 1449 CE1 TYR B 59 103.336 50.714 15.819 1.00 26.66 C ATOM 1450 CE2 TYR B 59 101.246 49.988 14.911 1.00 29.76 C ATOM 1451 CZ TYR B 59 102.036 50.291 15.999 1.00 32.14 C ATOM 1452 OH TYR B 59 101.528 50.172 17.272 1.00 37.63 O ATOM 1453 HH TYR B 59 102.223 50.427 17.929 1.00 0.00 H ATOM 1454 H TYR B 59 106.165 50.022 12.664 1.00 0.00 H ATOM 1455 N ASP B 60 104.170 49.124 9.145 1.00 31.59 N ATOM 1456 CA ASP B 60 104.526 49.240 7.740 1.00 28.91 C ATOM 1457 C ASP B 60 103.531 50.138 7.014 1.00 24.71 C ATOM 1458 O ASP B 60 102.377 50.286 7.428 1.00 28.54 O ATOM 1459 CB ASP B 60 104.573 47.864 7.070 1.00 38.89 C ATOM 1460 CG ASP B 60 105.607 46.945 7.698 1.00 44.89 C ATOM 1461 OD1 ASP B 60 106.724 47.418 8.000 1.00 38.15 O ATOM 1462 OD2 ASP B 60 105.301 45.750 7.896 1.00 41.08 O ATOM 1463 H ASP B 60 103.323 48.580 9.406 1.00 0.00 H ATOM 1464 N GLN B 61 104.002 50.755 5.932 1.00 30.46 N ATOM 1465 CA GLN B 61 103.160 51.592 5.076 1.00 34.66 C ATOM 1466 C GLN B 61 102.484 52.708 5.873 1.00 30.93 C ATOM 1467 O GLN B 61 101.288 52.970 5.732 1.00 34.32 O ATOM 1468 CB GLN B 61 102.122 50.741 4.340 1.00 35.62 C ATOM 1469 CG GLN B 61 102.735 49.796 3.327 1.00 30.09 C ATOM 1470 CD GLN B 61 103.584 50.528 2.306 1.00 43.75 C ATOM 1471 OE1 GLN B 61 104.809 50.415 2.306 1.00 43.10 O ATOM 1472 NE2 GLN B 61 102.934 51.293 1.435 1.00 48.48 N ATOM 1473 HE22 GLN B 61 101.897 51.358 1.473 1.00 0.00 H ATOM 1474 HE21 GLN B 61 103.463 51.827 0.716 1.00 0.00 H ATOM 1475 H GLN B 61 105.006 50.638 5.686 1.00 0.00 H ATOM 1476 N ILE B 62 103.268 53.381 6.705 1.00 25.62 N ATOM 1477 CA ILE B 62 102.780 54.518 7.477 1.00 25.78 C ATOM 1478 C ILE B 62 103.065 55.791 6.695 1.00 26.96 C ATOM 1479 O ILE B 62 104.178 55.987 6.198 1.00 28.04 O ATOM 1480 CB ILE B 62 103.444 54.570 8.862 1.00 27.73 C ATOM 1481 CG1 ILE B 62 103.143 53.286 9.647 1.00 24.68 C ATOM 1482 CG2 ILE B 62 102.984 55.808 9.629 1.00 26.89 C ATOM 1483 CD1 ILE B 62 101.682 53.116 10.030 1.00 30.31 C ATOM 1484 H ILE B 62 104.261 53.089 6.810 1.00 0.00 H ATOM 1485 N LEU B 63 102.065 56.664 6.603 1.00 28.67 N ATOM 1486 CA LEU B 63 102.206 57.926 5.890 1.00 35.12 C ATOM 1487 C LEU B 63 102.807 58.988 6.804 1.00 25.61 C ATOM 1488 O LEU B 63 102.324 59.208 7.920 1.00 28.92 O ATOM 1489 CB LEU B 63 100.847 58.391 5.366 1.00 33.92 C ATOM 1490 H LEU B 63 101.155 56.438 7.054 1.00 0.00 H ATOM 1491 N ILE B 64 103.858 59.646 6.328 1.00 28.05 N ATOM 1492 CA ILE B 64 104.515 60.719 7.067 1.00 31.51 C ATOM 1493 C ILE B 64 104.755 61.880 6.114 1.00 30.04 C ATOM 1494 O ILE B 64 105.151 61.681 4.961 1.00 32.84 O ATOM 1495 CB ILE B 64 105.847 60.262 7.702 1.00 34.04 C ATOM 1496 CG1 ILE B 64 105.593 59.186 8.762 1.00 37.37 C ATOM 1497 CG2 ILE B 64 106.583 61.458 8.312 1.00 34.97 C ATOM 1498 CD1 ILE B 64 106.840 58.749 9.519 1.00 36.39 C ATOM 1499 H ILE B 64 104.227 59.386 5.391 1.00 0.00 H ATOM 1500 N GLU B 65 104.527 63.093 6.603 1.00 24.15 N ATOM 1501 CA GLU B 65 104.823 64.307 5.855 1.00 27.11 C ATOM 1502 C GLU B 65 105.970 65.036 6.542 1.00 31.06 C ATOM 1503 O GLU B 65 105.862 65.405 7.716 1.00 32.16 O ATOM 1504 CB GLU B 65 103.592 65.203 5.758 1.00 30.31 C ATOM 1505 CG GLU B 65 103.779 66.378 4.826 1.00 32.94 C ATOM 1506 CD GLU B 65 102.507 67.175 4.648 1.00 38.79 C ATOM 1507 OE1 GLU B 65 101.548 66.629 4.065 1.00 38.25 O ATOM 1508 OE2 GLU B 65 102.461 68.337 5.104 1.00 44.69 O ATOM 1509 H GLU B 65 104.121 63.180 7.557 1.00 0.00 H ATOM 1510 N ILE B 66 107.055 65.249 5.804 1.00 32.35 N ATOM 1511 CA ILE B 66 108.278 65.854 6.322 1.00 34.46 C ATOM 1512 C ILE B 66 108.505 67.139 5.537 1.00 36.12 C ATOM 1513 O ILE B 66 108.880 67.094 4.358 1.00 31.86 O ATOM 1514 CB ILE B 66 109.482 64.910 6.193 1.00 34.46 C ATOM 1515 CG1 ILE B 66 109.203 63.583 6.902 1.00 37.13 C ATOM 1516 CG2 ILE B 66 110.737 65.549 6.766 1.00 40.45 C ATOM 1517 CD1 ILE B 66 109.901 62.394 6.272 1.00 33.36 C ATOM 1518 H ILE B 66 107.031 64.969 4.803 1.00 0.00 H ATOM 1519 N CYS B 67 108.282 68.283 6.184 1.00 43.64 N ATOM 1520 CA CYS B 67 108.430 69.587 5.537 1.00 31.48 C ATOM 1521 C CYS B 67 107.596 69.660 4.262 1.00 40.72 C ATOM 1522 O CYS B 67 108.056 70.111 3.210 1.00 45.67 O ATOM 1523 CB CYS B 67 109.899 69.886 5.232 1.00 50.42 C ATOM 1524 SG CYS B 67 110.918 70.185 6.676 1.00 52.68 S ATOM 1525 H CYS B 67 107.993 68.247 7.182 1.00 0.00 H ATOM 1526 N GLY B 68 106.351 69.201 4.358 1.00 40.92 N ATOM 1527 CA GLY B 68 105.471 69.199 3.211 1.00 37.87 C ATOM 1528 C GLY B 68 105.789 68.165 2.155 1.00 36.55 C ATOM 1529 O GLY B 68 105.073 68.096 1.148 1.00 37.96 O ATOM 1530 H GLY B 68 106.006 68.839 5.270 1.00 0.00 H ATOM 1531 N HIS B 69 106.839 67.367 2.334 1.00 34.44 N ATOM 1532 CA HIS B 69 107.127 66.252 1.443 1.00 25.74 C ATOM 1533 C HIS B 69 106.512 64.994 2.031 1.00 31.34 C ATOM 1534 O HIS B 69 106.750 64.668 3.197 1.00 29.70 O ATOM 1535 CB HIS B 69 108.630 66.052 1.244 1.00 34.52 C ATOM 1536 CG HIS B 69 109.310 67.208 0.586 1.00 30.05 C ATOM 1537 ND1 HIS B 69 109.459 68.427 1.208 1.00 36.60 N ATOM 1538 CD2 HIS B 69 109.874 67.337 -0.637 1.00 26.68 C ATOM 1539 CE1 HIS B 69 110.093 69.256 0.399 1.00 30.86 C ATOM 1540 NE2 HIS B 69 110.359 68.619 -0.727 1.00 27.76 N ATOM 1541 H HIS B 69 107.475 67.546 3.137 1.00 0.00 H ATOM 1542 N LYS B 70 105.725 64.298 1.225 1.00 30.16 N ATOM 1543 CA LYS B 70 105.024 63.113 1.683 1.00 30.46 C ATOM 1544 C LYS B 70 105.870 61.873 1.445 1.00 25.01 C ATOM 1545 O LYS B 70 106.616 61.775 0.468 1.00 32.69 O ATOM 1546 CB LYS B 70 103.676 62.980 0.975 1.00 28.40 C ATOM 1547 CG LYS B 70 102.679 64.068 1.359 1.00 35.75 C ATOM 1548 CD LYS B 70 101.321 63.851 0.706 1.00 31.01 C ATOM 1549 CE LYS B 70 100.282 64.843 1.211 1.00 34.05 C ATOM 1550 NZ LYS B 70 100.724 66.260 1.090 1.00 51.78 N ATOM 1551 HZ1 LYS B 70 101.592 66.400 1.646 1.00 0.00 H ATOM 1552 HZ2 LYS B 70 100.912 66.479 0.091 1.00 0.00 H ATOM 1553 HZ3 LYS B 70 99.976 66.887 1.449 1.00 0.00 H ATOM 1554 H LYS B 70 105.606 64.608 0.239 1.00 0.00 H ATOM 1555 N ALA B 71 105.753 60.926 2.368 1.00 31.86 N ATOM 1556 CA ALA B 71 106.428 59.645 2.258 1.00 31.78 C ATOM 1557 C ALA B 71 105.575 58.612 2.973 1.00 30.29 C ATOM 1558 O ALA B 71 104.732 58.948 3.811 1.00 35.46 O ATOM 1559 CB ALA B 71 107.841 59.688 2.852 1.00 32.73 C ATOM 1560 H ALA B 71 105.156 61.108 3.200 1.00 0.00 H ATOM 1561 N ILE B 72 105.786 57.350 2.620 1.00 27.52 N ATOM 1562 CA ILE B 72 105.028 56.260 3.221 1.00 27.43 C ATOM 1563 C ILE B 72 105.934 55.041 3.305 1.00 25.34 C ATOM 1564 O ILE B 72 106.538 54.630 2.309 1.00 28.10 O ATOM 1565 CB ILE B 72 103.733 55.962 2.437 1.00 32.03 C ATOM 1566 CG1 ILE B 72 103.055 54.698 2.974 1.00 35.66 C ATOM 1567 CG2 ILE B 72 104.020 55.836 0.949 1.00 38.45 C ATOM 1568 CD1 ILE B 72 101.586 54.593 2.600 1.00 40.60 C ATOM 1569 H ILE B 72 106.506 57.135 1.901 1.00 0.00 H ATOM 1570 N GLY B 73 106.047 54.479 4.499 1.00 28.01 N ATOM 1571 CA GLY B 73 106.945 53.360 4.691 1.00 28.31 C ATOM 1572 C GLY B 73 106.968 52.907 6.130 1.00 22.09 C ATOM 1573 O GLY B 73 106.075 53.225 6.918 1.00 25.52 O ATOM 1574 H GLY B 73 105.490 54.842 5.299 1.00 0.00 H ATOM 1575 N THR B 74 108.024 52.172 6.461 1.00 21.44 N ATOM 1576 CA THR B 74 108.155 51.563 7.775 1.00 24.55 C ATOM 1577 C THR B 74 108.431 52.623 8.833 1.00 25.26 C ATOM 1578 O THR B 74 109.264 53.514 8.636 1.00 25.63 O ATOM 1579 CB THR B 74 109.279 50.527 7.745 1.00 31.17 C ATOM 1580 OG1 THR B 74 108.911 49.458 6.862 1.00 32.31 O ATOM 1581 CG2 THR B 74 109.546 49.956 9.127 1.00 26.58 C ATOM 1582 HG1 THR B 74 108.077 49.035 7.187 1.00 0.00 H ATOM 1583 H THR B 74 108.779 52.028 5.760 1.00 0.00 H ATOM 1584 N VAL B 75 107.728 52.520 9.959 1.00 22.44 N ATOM 1585 CA VAL B 75 107.941 53.380 11.118 1.00 18.91 C ATOM 1586 C VAL B 75 108.041 52.489 12.350 1.00 22.27 C ATOM 1587 O VAL B 75 107.099 51.751 12.664 1.00 25.57 O ATOM 1588 CB VAL B 75 106.814 54.416 11.284 1.00 25.86 C ATOM 1589 CG1 VAL B 75 107.011 55.243 12.550 1.00 27.41 C ATOM 1590 CG2 VAL B 75 106.749 55.320 10.064 1.00 23.91 C ATOM 1591 H VAL B 75 106.990 51.790 10.015 1.00 0.00 H ATOM 1592 N LEU B 76 109.178 52.552 13.040 1.00 18.07 N ATOM 1593 CA LEU B 76 109.381 51.821 14.285 1.00 20.11 C ATOM 1594 C LEU B 76 109.018 52.719 15.463 1.00 24.31 C ATOM 1595 O LEU B 76 109.436 53.879 15.516 1.00 24.67 O ATOM 1596 CB LEU B 76 110.834 51.356 14.404 1.00 19.74 C ATOM 1597 CG LEU B 76 111.427 50.643 13.184 1.00 16.95 C ATOM 1598 CD1 LEU B 76 112.898 50.316 13.412 1.00 19.73 C ATOM 1599 CD2 LEU B 76 110.647 49.384 12.839 1.00 22.07 C ATOM 1600 H LEU B 76 109.951 53.145 12.677 1.00 0.00 H ATOM 1601 N VAL B 77 108.246 52.181 16.406 1.00 17.77 N ATOM 1602 CA VAL B 77 107.774 52.934 17.564 1.00 18.41 C ATOM 1603 C VAL B 77 108.284 52.257 18.828 1.00 18.78 C ATOM 1604 O VAL B 77 108.121 51.044 19.000 1.00 18.84 O ATOM 1605 CB VAL B 77 106.238 53.040 17.583 1.00 22.97 C ATOM 1606 CG1 VAL B 77 105.760 53.764 18.842 1.00 25.33 C ATOM 1607 CG2 VAL B 77 105.749 53.758 16.335 1.00 25.76 C ATOM 1608 H VAL B 77 107.968 51.183 16.313 1.00 0.00 H ATOM 1609 N GLY B 78 108.886 53.042 19.716 1.00 21.77 N ATOM 1610 CA GLY B 78 109.422 52.512 20.946 1.00 19.79 C ATOM 1611 C GLY B 78 110.020 53.580 21.837 1.00 24.92 C ATOM 1612 O GLY B 78 109.945 54.779 21.552 1.00 26.71 O ATOM 1613 H GLY B 78 108.972 54.060 19.520 1.00 0.00 H ATOM 1614 N PRO B 79 110.623 53.153 22.951 1.00 21.50 N ATOM 1615 CA PRO B 79 111.216 54.091 23.922 1.00 23.55 C ATOM 1616 C PRO B 79 112.537 54.677 23.435 1.00 26.99 C ATOM 1617 O PRO B 79 113.591 54.532 24.062 1.00 27.97 O ATOM 1618 CB PRO B 79 111.381 53.208 25.166 1.00 27.95 C ATOM 1619 CG PRO B 79 111.580 51.835 24.624 1.00 24.89 C ATOM 1620 CD PRO B 79 110.717 51.752 23.400 1.00 25.85 C ATOM 1621 N THR B 80 112.485 55.349 22.295 1.00 23.36 N ATOM 1622 CA THR B 80 113.701 55.968 21.784 1.00 26.44 C ATOM 1623 C THR B 80 113.898 57.340 22.427 1.00 23.48 C ATOM 1624 O THR B 80 112.927 58.074 22.634 1.00 21.86 O ATOM 1625 CB THR B 80 113.648 56.117 20.264 1.00 26.06 C ATOM 1626 OG1 THR B 80 114.814 56.814 19.813 1.00 22.39 O ATOM 1627 CG2 THR B 80 112.396 56.879 19.820 1.00 25.43 C ATOM 1628 HG1 THR B 80 114.844 57.710 20.233 1.00 0.00 H ATOM 1629 H THR B 80 111.590 55.434 21.772 1.00 0.00 H ATOM 1630 N PRO B 81 115.133 57.712 22.771 1.00 24.50 N ATOM 1631 CA PRO B 81 115.352 59.046 23.352 1.00 29.76 C ATOM 1632 C PRO B 81 115.056 60.183 22.392 1.00 31.53 C ATOM 1633 O PRO B 81 114.897 61.324 22.845 1.00 34.70 O ATOM 1634 CB PRO B 81 116.834 59.021 23.750 1.00 28.25 C ATOM 1635 CG PRO B 81 117.445 57.948 22.917 1.00 33.14 C ATOM 1636 CD PRO B 81 116.374 56.922 22.710 1.00 25.67 C ATOM 1637 N VAL B 82 114.972 59.916 21.088 1.00 24.62 N ATOM 1638 CA VAL B 82 114.748 60.958 20.093 1.00 26.54 C ATOM 1639 C VAL B 82 114.020 60.354 18.901 1.00 20.76 C ATOM 1640 O VAL B 82 114.143 59.162 18.611 1.00 26.75 O ATOM 1641 CB VAL B 82 116.074 61.613 19.641 1.00 33.05 C ATOM 1642 CG1 VAL B 82 116.721 62.385 20.786 1.00 37.18 C ATOM 1643 CG2 VAL B 82 117.027 60.557 19.096 1.00 34.39 C ATOM 1644 H VAL B 82 115.070 58.931 20.770 1.00 0.00 H ATOM 1645 N ASN B 83 113.263 61.194 18.205 1.00 21.36 N ATOM 1646 CA ASN B 83 112.624 60.806 16.956 1.00 24.45 C ATOM 1647 C ASN B 83 113.617 61.006 15.820 1.00 22.26 C ATOM 1648 O ASN B 83 114.207 62.083 15.691 1.00 17.58 O ATOM 1649 CB ASN B 83 111.365 61.637 16.708 1.00 23.20 C ATOM 1650 CG ASN B 83 110.334 61.476 17.803 1.00 30.58 C ATOM 1651 OD1 ASN B 83 110.317 60.470 18.513 1.00 35.98 O ATOM 1652 ND2 ASN B 83 109.462 62.468 17.944 1.00 28.49 N ATOM 1653 HD22 ASN B 83 109.515 63.299 17.321 1.00 0.00 H ATOM 1654 HD21 ASN B 83 108.727 62.414 18.677 1.00 0.00 H ATOM 1655 H ASN B 83 113.122 62.160 18.564 1.00 0.00 H ATOM 1656 N VAL B 84 113.817 59.968 15.009 1.00 15.35 N ATOM 1657 CA VAL B 84 114.718 60.054 13.866 1.00 19.88 C ATOM 1658 C VAL B 84 113.986 59.599 12.613 1.00 20.65 C ATOM 1659 O VAL B 84 113.336 58.546 12.606 1.00 15.06 O ATOM 1660 CB VAL B 84 116.009 59.235 14.066 1.00 24.45 C ATOM 1661 CG1 VAL B 84 116.771 59.745 15.279 1.00 22.14 C ATOM 1662 CG2 VAL B 84 115.719 57.741 14.187 1.00 27.14 C ATOM 1663 H VAL B 84 113.318 59.075 15.196 1.00 0.00 H ATOM 1664 N ILE B 85 114.085 60.407 11.563 1.00 14.42 N ATOM 1665 CA ILE B 85 113.685 60.008 10.222 1.00 15.21 C ATOM 1666 C ILE B 85 114.890 59.329 9.584 1.00 17.82 C ATOM 1667 O ILE B 85 115.929 59.961 9.373 1.00 16.66 O ATOM 1668 CB ILE B 85 113.223 61.214 9.397 1.00 14.17 C ATOM 1669 CG1 ILE B 85 112.146 61.997 10.158 1.00 20.81 C ATOM 1670 CG2 ILE B 85 112.735 60.768 8.031 1.00 18.50 C ATOM 1671 CD1 ILE B 85 110.940 61.176 10.574 1.00 24.62 C ATOM 1672 H ILE B 85 114.464 61.365 11.705 1.00 0.00 H ATOM 1673 N GLY B 86 114.756 58.035 9.286 1.00 15.93 N ATOM 1674 CA GLY B 86 115.844 57.257 8.733 1.00 16.71 C ATOM 1675 C GLY B 86 115.841 57.234 7.214 1.00 16.04 C ATOM 1676 O GLY B 86 114.995 57.826 6.546 1.00 17.17 O ATOM 1677 H GLY B 86 113.841 57.571 9.457 1.00 0.00 H ATOM 1678 N ARG B 87 116.817 56.506 6.666 1.00 17.68 N ATOM 1679 CA ARG B 87 117.015 56.503 5.221 1.00 20.40 C ATOM 1680 C ARG B 87 115.805 55.950 4.479 1.00 20.02 C ATOM 1681 O ARG B 87 115.541 56.362 3.343 1.00 20.48 O ATOM 1682 CB ARG B 87 118.265 55.701 4.861 1.00 17.48 C ATOM 1683 CG ARG B 87 119.558 56.326 5.363 1.00 21.27 C ATOM 1684 CD ARG B 87 120.788 55.595 4.839 1.00 21.75 C ATOM 1685 NE ARG B 87 120.876 54.228 5.347 1.00 23.90 N ATOM 1686 CZ ARG B 87 120.527 53.134 4.672 1.00 22.80 C ATOM 1687 NH1 ARG B 87 120.066 53.214 3.431 1.00 20.45 N ATOM 1688 NH2 ARG B 87 120.650 51.944 5.246 1.00 22.93 N ATOM 1689 HE ARG B 87 121.240 54.099 6.313 1.00 0.00 H ATOM 1690 HH12 ARG B 87 119.798 52.349 2.919 1.00 0.00 H ATOM 1691 HH11 ARG B 87 119.972 54.141 2.970 1.00 0.00 H ATOM 1692 HH22 ARG B 87 120.380 51.085 4.726 1.00 0.00 H ATOM 1693 HH21 ARG B 87 121.017 51.870 6.216 1.00 0.00 H ATOM 1694 H ARG B 87 117.440 55.937 7.274 1.00 0.00 H ATOM 1695 N ASN B 88 115.058 55.025 5.093 1.00 16.83 N ATOM 1696 CA ASN B 88 113.903 54.449 4.409 1.00 20.69 C ATOM 1697 C ASN B 88 112.909 55.524 3.982 1.00 23.09 C ATOM 1698 O ASN B 88 112.230 55.369 2.960 1.00 21.69 O ATOM 1699 CB ASN B 88 113.220 53.397 5.296 1.00 17.04 C ATOM 1700 CG ASN B 88 112.439 54.004 6.447 1.00 20.92 C ATOM 1701 OD1 ASN B 88 112.956 54.817 7.210 1.00 20.51 O ATOM 1702 ND2 ASN B 88 111.178 53.606 6.576 1.00 20.01 N ATOM 1703 HD22 ASN B 88 110.780 52.916 5.908 1.00 0.00 H ATOM 1704 HD21 ASN B 88 110.589 53.985 7.345 1.00 0.00 H ATOM 1705 H ASN B 88 115.300 54.716 6.056 1.00 0.00 H ATOM 1706 N LEU B 89 112.817 56.625 4.726 1.00 22.69 N ATOM 1707 CA LEU B 89 111.958 57.733 4.324 1.00 19.36 C ATOM 1708 C LEU B 89 112.724 58.914 3.742 1.00 22.38 C ATOM 1709 O LEU B 89 112.159 59.659 2.934 1.00 22.39 O ATOM 1710 CB LEU B 89 111.118 58.215 5.512 1.00 16.18 C ATOM 1711 CG LEU B 89 110.238 57.150 6.174 1.00 19.94 C ATOM 1712 CD1 LEU B 89 109.435 57.763 7.300 1.00 23.85 C ATOM 1713 CD2 LEU B 89 109.307 56.482 5.170 1.00 21.94 C ATOM 1714 H LEU B 89 113.366 56.696 5.607 1.00 0.00 H ATOM 1715 N LEU B 90 113.990 59.110 4.121 1.00 18.75 N ATOM 1716 CA LEU B 90 114.752 60.224 3.564 1.00 20.10 C ATOM 1717 C LEU B 90 114.917 60.080 2.056 1.00 20.42 C ATOM 1718 O LEU B 90 114.851 61.072 1.320 1.00 25.98 O ATOM 1719 CB LEU B 90 116.119 60.330 4.236 1.00 17.16 C ATOM 1720 CG LEU B 90 116.163 60.692 5.721 1.00 15.06 C ATOM 1721 CD1 LEU B 90 117.592 60.533 6.218 1.00 15.75 C ATOM 1722 CD2 LEU B 90 115.656 62.100 5.985 1.00 18.05 C ATOM 1723 H LEU B 90 114.432 58.470 4.812 1.00 0.00 H ATOM 1724 N THR B 91 115.153 58.856 1.577 1.00 22.53 N ATOM 1725 CA THR B 91 115.189 58.630 0.134 1.00 26.16 C ATOM 1726 C THR B 91 113.914 59.133 -0.531 1.00 30.14 C ATOM 1727 O THR B 91 113.960 59.746 -1.605 1.00 32.68 O ATOM 1728 CB THR B 91 115.375 57.143 -0.174 1.00 25.68 C ATOM 1729 OG1 THR B 91 114.365 56.379 0.499 1.00 25.92 O ATOM 1730 CG2 THR B 91 116.756 56.655 0.243 1.00 25.04 C ATOM 1731 HG1 THR B 91 114.439 56.524 1.476 1.00 0.00 H ATOM 1732 H THR B 91 115.311 58.063 2.231 1.00 0.00 H ATOM 1733 N GLN B 92 112.763 58.885 0.097 1.00 28.20 N ATOM 1734 CA GLN B 92 111.486 59.207 -0.527 1.00 28.05 C ATOM 1735 C GLN B 92 111.252 60.707 -0.665 1.00 37.22 C ATOM 1736 O GLN B 92 110.466 61.116 -1.526 1.00 32.94 O ATOM 1737 CB GLN B 92 110.347 58.570 0.265 1.00 29.79 C ATOM 1738 CG GLN B 92 110.381 57.052 0.228 1.00 27.22 C ATOM 1739 CD GLN B 92 109.182 56.412 0.894 1.00 30.83 C ATOM 1740 OE1 GLN B 92 108.070 56.932 0.840 1.00 27.95 O ATOM 1741 NE2 GLN B 92 109.408 55.272 1.534 1.00 29.30 N ATOM 1742 HE22 GLN B 92 110.366 54.868 1.554 1.00 0.00 H ATOM 1743 HE21 GLN B 92 108.627 54.783 2.016 1.00 0.00 H ATOM 1744 H GLN B 92 112.777 58.456 1.044 1.00 0.00 H ATOM 1745 N ILE B 93 111.903 61.539 0.151 1.00 28.42 N ATOM 1746 CA ILE B 93 111.748 62.985 0.038 1.00 27.37 C ATOM 1747 C ILE B 93 112.884 63.616 -0.763 1.00 23.94 C ATOM 1748 O ILE B 93 112.963 64.843 -0.857 1.00 33.49 O ATOM 1749 CB ILE B 93 111.611 63.648 1.421 1.00 30.56 C ATOM 1750 CG1 ILE B 93 112.894 63.511 2.251 1.00 28.92 C ATOM 1751 CG2 ILE B 93 110.425 63.051 2.173 1.00 29.29 C ATOM 1752 CD1 ILE B 93 112.863 64.315 3.551 1.00 29.35 C ATOM 1753 H ILE B 93 112.533 61.149 0.881 1.00 0.00 H ATOM 1754 N GLY B 94 113.757 62.804 -1.353 1.00 28.97 N ATOM 1755 CA GLY B 94 114.835 63.325 -2.172 1.00 32.97 C ATOM 1756 C GLY B 94 115.997 63.899 -1.396 1.00 31.50 C ATOM 1757 O GLY B 94 116.695 64.782 -1.904 1.00 30.44 O ATOM 1758 H GLY B 94 113.665 61.776 -1.225 1.00 0.00 H ATOM 1759 N CYS B 95 116.235 63.419 -0.177 1.00 24.73 N ATOM 1760 CA CYS B 95 117.274 63.983 0.673 1.00 21.42 C ATOM 1761 C CYS B 95 118.643 63.411 0.317 1.00 23.22 C ATOM 1762 O CYS B 95 118.804 62.195 0.165 1.00 25.47 O ATOM 1763 CB CYS B 95 116.955 63.721 2.145 1.00 29.37 C ATOM 1764 SG CYS B 95 118.080 64.553 3.296 1.00 23.59 S ATOM 1765 H CYS B 95 115.666 62.623 0.176 1.00 0.00 H ATOM 1766 N THR B 96 119.628 64.297 0.191 1.00 19.68 N ATOM 1767 CA THR B 96 121.005 63.918 -0.086 1.00 21.00 C ATOM 1768 C THR B 96 121.932 64.594 0.911 1.00 17.67 C ATOM 1769 O THR B 96 121.597 65.626 1.499 1.00 18.98 O ATOM 1770 CB THR B 96 121.437 64.313 -1.506 1.00 21.86 C ATOM 1771 OG1 THR B 96 121.216 65.716 -1.703 1.00 21.61 O ATOM 1772 CG2 THR B 96 120.670 63.520 -2.551 1.00 25.97 C ATOM 1773 HG1 THR B 96 120.254 65.917 -1.583 1.00 0.00 H ATOM 1774 H THR B 96 119.403 65.307 0.295 1.00 0.00 H ATOM 1775 N LEU B 97 123.104 63.987 1.097 1.00 22.66 N ATOM 1776 CA LEU B 97 124.235 64.643 1.738 1.00 23.62 C ATOM 1777 C LEU B 97 125.100 65.286 0.667 1.00 22.58 C ATOM 1778 O LEU B 97 125.316 64.703 -0.398 1.00 25.28 O ATOM 1779 CB LEU B 97 125.079 63.649 2.536 1.00 20.22 C ATOM 1780 CG LEU B 97 124.528 63.102 3.849 1.00 22.35 C ATOM 1781 CD1 LEU B 97 125.333 61.882 4.266 1.00 26.64 C ATOM 1782 CD2 LEU B 97 124.587 64.168 4.925 1.00 21.89 C ATOM 1783 H LEU B 97 123.215 63.006 0.771 1.00 0.00 H ATOM 1784 N ASN B 98 125.603 66.485 0.955 1.00 22.62 N ATOM 1785 CA ASN B 98 126.371 67.239 -0.025 1.00 26.00 C ATOM 1786 C ASN B 98 127.556 67.916 0.639 1.00 23.18 C ATOM 1787 O ASN B 98 127.387 68.650 1.617 1.00 24.10 O ATOM 1788 CB ASN B 98 125.501 68.298 -0.710 1.00 26.17 C ATOM 1789 CG ASN B 98 124.382 67.693 -1.526 1.00 30.18 C ATOM 1790 OD1 ASN B 98 124.558 67.384 -2.702 1.00 33.61 O ATOM 1791 ND2 ASN B 98 123.220 67.521 -0.903 1.00 29.13 N ATOM 1792 HD22 ASN B 98 123.119 67.798 0.094 1.00 0.00 H ATOM 1793 HD21 ASN B 98 122.412 67.109 -1.413 1.00 0.00 H ATOM 1794 H ASN B 98 125.444 66.891 1.899 1.00 0.00 H ATOM 1795 N PHE B 99 128.747 67.674 0.100 1.00 24.87 N ATOM 1796 CA PHE B 99 129.922 68.456 0.465 1.00 27.06 C ATOM 1797 C PHE B 99 130.924 68.483 -0.684 1.00 35.42 C ATOM 1798 O PHE B 99 131.977 69.116 -0.587 1.00 34.43 O ATOM 1799 CB PHE B 99 130.579 67.910 1.737 1.00 27.76 C ATOM 1800 CG PHE B 99 131.003 66.470 1.650 1.00 27.06 C ATOM 1801 CD1 PHE B 99 130.092 65.451 1.862 1.00 27.86 C ATOM 1802 CD2 PHE B 99 132.323 66.136 1.395 1.00 28.67 C ATOM 1803 CE1 PHE B 99 130.483 64.126 1.799 1.00 26.77 C ATOM 1804 CE2 PHE B 99 132.719 64.814 1.331 1.00 31.20 C ATOM 1805 CZ PHE B 99 131.797 63.807 1.535 1.00 33.58 C ATOM 1806 OXT PHE B 99 130.694 67.882 -1.736 1.00 32.06 O ATOM 1807 H PHE B 99 128.843 66.909 -0.598 1.00 0.00 H TER 1808 PHE B 99 HETATM 1809 O HOH 1 107.993 62.861 -1.116 1.00 33.51 O HETATM 1810 O HOH 2 132.778 70.713 0.974 1.00 36.26 O HETATM 1811 O HOH 3 94.833 64.025 14.824 1.00 31.25 O HETATM 1812 O HOH 4 120.621 71.394 11.453 1.00 25.72 O HETATM 1813 O HOH 5 122.804 74.580 11.431 1.00 24.56 O HETATM 1814 O HOH 6 112.150 49.893 5.878 1.00 37.73 O HETATM 1815 O HOH 7 101.408 41.499 13.405 1.00 42.14 O HETATM 1816 O HOH 8 101.809 65.607 18.499 1.00 40.43 O HETATM 1817 O HOH 9 118.910 66.287 -2.863 1.00 27.58 O HETATM 1818 O HOH 10 108.842 48.490 22.891 1.00 36.16 O HETATM 1819 O HOH 11 118.486 59.876 -1.105 1.00 24.14 O HETATM 1820 O HOH 12 104.972 44.945 10.416 1.00 39.15 O HETATM 1821 O HOH 13 100.026 58.672 9.165 1.00 32.33 O HETATM 1822 O HOH 14 120.707 75.353 8.141 1.00 36.10 O HETATM 1823 O HOH 15 106.547 73.330 13.780 1.00 41.80 O HETATM 1824 O HOH 16 118.023 71.895 16.173 1.00 26.60 O HETATM 1825 O HOH 17 122.509 54.702 7.451 1.00 20.57 O HETATM 1826 O HOH 18 122.933 52.779 9.359 1.00 25.84 O HETATM 1827 O HOH 19 101.563 52.057 24.016 1.00 40.20 O HETATM 1828 O HOH 20 109.142 39.818 14.884 1.00 33.69 O HETATM 1829 O HOH 21 121.227 63.215 23.069 1.00 42.17 O HETATM 1830 O HOH 22 108.158 65.868 18.885 1.00 31.80 O HETATM 1831 O HOH 23 112.409 47.499 9.181 1.00 43.79 O HETATM 1832 O HOH 24 115.698 65.478 -4.404 1.00 24.23 O HETATM 1833 O HOH 25 119.966 46.978 14.822 1.00 32.68 O HETATM 1834 O HOH 26 95.341 61.319 15.523 1.00 35.57 O HETATM 1835 O HOH 27 126.396 75.943 2.435 1.00 41.07 O HETATM 1836 O HOH 28 118.977 49.180 26.283 1.00 32.28 O HETATM 1837 O HOH 29 106.522 49.887 4.961 1.00 28.92 O HETATM 1838 O HOH 30 101.066 62.311 7.355 1.00 34.13 O HETATM 1839 O HOH 31 113.445 48.201 25.031 1.00 25.61 O HETATM 1840 O HOH 32 110.219 71.814 10.034 1.00 34.51 O HETATM 1841 O HOH 33 120.837 52.339 11.536 1.00 20.73 O HETATM 1842 O HOH 34 102.198 47.225 9.951 1.00 37.44 O HETATM 1843 O HOH 35 120.861 76.441 5.510 1.00 40.95 O HETATM 1844 O HOH 36 128.294 72.992 15.944 1.00 33.96 O HETATM 1845 O HOH 37 99.701 67.733 16.529 1.00 33.32 O HETATM 1846 O HOH 38 110.145 51.629 4.551 1.00 27.04 O HETATM 1847 O HOH 39 99.823 43.439 15.706 1.00 36.07 O HETATM 1848 O HOH 40 104.645 47.939 23.187 1.00 49.34 O HETATM 1849 O HOH 41 116.929 51.695 4.737 1.00 33.41 O HETATM 1850 O HOH 42 121.368 71.140 18.434 1.00 24.56 O HETATM 1851 O HOH 43 117.082 66.470 19.832 1.00 37.53 O HETATM 1852 O HOH 44 110.599 72.758 13.216 1.00 43.10 O HETATM 1853 O HOH 45 126.782 68.376 -4.409 1.00 39.12 O HETATM 1854 O HOH 46 98.901 62.003 9.030 1.00 45.98 O HETATM 1855 O HOH 47 97.528 67.346 15.473 1.00 32.55 O HETATM 1856 O HOH 48 119.890 49.993 3.065 1.00 38.04 O HETATM 1857 O HOH 49 100.345 63.992 5.107 1.00 47.10 O HETATM 1858 O HOH 50 99.876 58.420 21.718 1.00 51.24 O HETATM 1859 O HOH 51 112.332 59.685 -4.400 1.00 38.64 O HETATM 1860 O HOH 52 109.741 57.676 23.527 1.00 34.59 O HETATM 1861 O HOH 53 112.216 62.538 24.350 1.00 44.34 O HETATM 1862 O HOH 54 97.761 66.308 3.792 1.00 49.63 O HETATM 1863 O HOH 55 118.570 72.769 11.759 1.00 23.62 O HETATM 1864 O HOH 56 113.807 74.638 -1.685 1.00 45.35 O HETATM 1865 O HOH 57 115.622 46.437 25.734 1.00 40.10 O HETATM 1866 O HOH 58 104.813 68.863 7.809 1.00 43.09 O HETATM 1867 O HOH 59 110.764 72.222 0.188 1.00 42.89 O HETATM 1868 O HOH 60 125.619 77.634 4.329 1.00 43.45 O HETATM 1869 O HOH 61 127.628 77.463 6.446 1.00 33.14 O HETATM 1870 O HOH 62 119.585 71.768 18.809 1.00 38.93 O HETATM 1871 O HOH 63 127.516 71.312 -1.328 1.00 37.34 O HETATM 1872 O HOH 64 110.815 57.686 -3.720 1.00 32.79 O HETATM 1873 O HOH 65 112.334 72.886 9.056 1.00 44.60 O HETATM 1874 O HOH 66 103.884 70.582 8.726 1.00 46.25 O HETATM 1875 O HOH 67 100.600 46.211 8.172 1.00 62.48 O HETATM 1876 O HOH 68 114.527 66.038 19.584 1.00 34.77 O HETATM 1877 O HOH 69 113.677 73.928 6.639 1.00 46.84 O HETATM 1878 O HOH 70 143.385 64.366 23.436 1.00 34.55 O HETATM 1879 O HOH 71 135.141 51.908 26.576 1.00 45.30 O HETATM 1880 O HOH 72 117.593 53.768 25.448 1.00 28.36 O HETATM 1881 O HOH 73 132.412 66.036 19.768 1.00 36.54 O HETATM 1882 O HOH 74 145.142 61.396 12.576 1.00 29.55 O HETATM 1883 O HOH 75 134.221 70.675 15.049 1.00 25.43 O HETATM 1884 O HOH 76 124.723 56.391 0.559 1.00 26.00 O HETATM 1885 O HOH 77 128.868 67.538 21.203 1.00 35.78 O HETATM 1886 O HOH 78 126.933 71.978 7.802 1.00 26.71 O HETATM 1887 O HOH 79 112.795 66.655 -2.788 1.00 35.17 O HETATM 1888 O HOH 80 119.661 72.594 -1.535 1.00 34.05 O HETATM 1889 O HOH 81 122.475 55.658 -2.466 1.00 26.42 O HETATM 1890 O HOH 82 136.613 50.005 12.876 1.00 39.40 O HETATM 1891 O HOH 83 132.680 47.966 18.224 1.00 25.77 O HETATM 1892 O HOH 84 137.920 70.664 5.153 1.00 35.16 O HETATM 1893 O HOH 85 139.080 68.745 19.163 1.00 24.91 O HETATM 1894 O HOH 86 122.847 55.016 18.939 1.00 16.61 O HETATM 1895 O HOH 87 126.943 51.614 1.604 1.00 30.60 O HETATM 1896 O HOH 88 131.391 46.586 13.659 1.00 41.12 O HETATM 1897 O HOH 89 140.743 71.635 15.590 1.00 19.63 O HETATM 1898 O HOH 90 128.397 68.498 17.477 1.00 22.72 O HETATM 1899 O HOH 91 121.909 64.225 17.561 1.00 16.48 O HETATM 1900 O HOH 92 127.964 46.203 14.398 1.00 33.96 O HETATM 1901 O HOH 93 125.648 61.543 25.148 1.00 36.32 O HETATM 1902 O HOH 94 121.554 56.987 -6.277 1.00 29.77 O HETATM 1903 O HOH 95 135.322 48.630 19.548 1.00 24.48 O HETATM 1904 O HOH 96 136.493 70.409 3.151 1.00 35.22 O HETATM 1905 O HOH 97 124.761 51.379 29.382 1.00 26.77 O HETATM 1906 O HOH 98 118.177 51.374 2.508 1.00 38.36 O HETATM 1907 O HOH 99 122.202 65.602 15.170 1.00 15.18 O HETATM 1908 O HOH 100 116.284 49.278 11.655 1.00 27.97 O HETATM 1909 O HOH 101 131.481 62.242 30.113 1.00 37.31 O HETATM 1910 O HOH 102 127.849 59.762 -4.625 1.00 35.30 O HETATM 1911 O HOH 103 133.381 63.642 18.703 1.00 22.42 O HETATM 1912 O HOH 104 127.412 50.162 22.389 1.00 26.17 O HETATM 1913 O HOH 105 130.678 72.182 14.613 1.00 32.73 O HETATM 1914 O HOH 106 132.565 50.408 11.552 1.00 25.60 O HETATM 1915 O HOH 107 127.150 71.521 1.138 1.00 27.75 O HETATM 1916 O HOH 108 128.928 53.931 0.373 1.00 44.89 O HETATM 1917 O HOH 109 127.065 70.787 17.255 1.00 34.46 O HETATM 1918 O HOH 110 137.905 52.863 24.280 1.00 40.40 O HETATM 1919 O HOH 111 143.283 66.735 8.995 1.00 37.28 O HETATM 1920 O HOH 112 130.852 51.105 28.360 1.00 30.87 O HETATM 1921 O HOH 113 127.199 49.665 8.400 1.00 46.75 O HETATM 1922 O HOH 114 125.097 70.967 18.419 1.00 37.28 O HETATM 1923 O HOH 115 135.270 68.637 17.250 1.00 23.97 O HETATM 1924 O HOH 116 126.562 65.293 22.658 1.00 42.18 O HETATM 1925 O HOH 117 133.386 74.373 6.965 1.00 36.25 O HETATM 1926 O HOH 118 144.731 61.752 8.680 1.00 41.15 O HETATM 1927 O HOH 119 125.301 58.492 -4.069 1.00 34.64 O HETATM 1928 O HOH 120 145.666 51.576 6.439 1.00 46.27 O HETATM 1929 O HOH 121 117.826 70.934 -2.823 1.00 33.36 O HETATM 1930 O HOH 122 127.268 62.445 27.882 1.00 41.71 O HETATM 1931 O HOH 123 120.780 58.613 25.418 1.00 35.76 O HETATM 1932 O HOH 124 144.884 49.255 16.162 1.00 41.81 O HETATM 1933 O HOH 125 133.474 50.022 9.554 1.00 38.16 O HETATM 1934 O HOH 126 136.691 50.130 9.246 1.00 37.69 O HETATM 1935 O HOH 127 123.954 49.608 2.893 1.00 34.90 O HETATM 1936 O HOH 128 132.827 52.320 35.095 1.00 57.39 O HETATM 1937 O HOH 129 144.061 47.821 13.267 1.00 50.87 O HETATM 1938 O HOH 130 143.627 52.996 25.788 1.00 46.78 O HETATM 1939 O HOH 131 122.153 60.829 24.480 1.00 40.01 O HETATM 1940 O HOH 132 139.989 59.994 2.769 1.00 40.39 O HETATM 1941 O HOH 133 133.544 65.976 -5.172 1.00 47.70 O HETATM 1942 O HOH 134 136.692 58.005 0.530 1.00 45.50 O HETATM 1943 O HOH 135 124.459 69.852 20.131 1.00 41.22 O HETATM 1944 O HOH 136 134.670 56.942 -0.088 1.00 34.14 O HETATM 1945 O HOH 137 130.758 47.889 11.570 1.00 42.40 O HETATM 1946 O HOH 138 148.448 60.597 8.413 1.00 45.97 O HETATM 1947 O HOH 139 127.903 74.297 3.385 1.00 41.38 O HETATM 1948 O HOH 140 135.034 66.224 -3.717 1.00 39.03 O HETATM 1949 O HOH 141 130.322 74.960 6.656 1.00 35.76 O HETATM 1950 O HOH 142 133.732 53.264 0.716 1.00 42.60 O HETATM 1951 O HOH 143 140.939 69.937 2.600 1.00 35.76 O HETATM 1952 O HOH 144 126.907 55.760 -0.454 1.00 33.91 O HETATM 1953 O HOH 145 123.125 71.100 19.219 1.00 39.01 O HETATM 1954 O HOH 146 135.875 68.449 27.247 1.00 48.37 O HETATM 1955 O HOH 147 132.671 65.573 22.892 1.00 39.62 O HETATM 1956 O HOH 148 133.090 68.496 19.735 1.00 37.80 O HETATM 1957 O HOH 149 120.052 54.152 -6.464 1.00 48.57 O HETATM 1958 O HOH 150 137.433 48.751 8.117 1.00 45.93 O HETATM 1959 O HOH 151 118.667 68.459 -4.290 1.00 24.37 O HETATM 1960 O HOH 152 137.506 53.075 27.625 1.00 47.46 O HETATM 1961 O HOH 153 125.678 48.955 2.228 1.00 40.20 O HETATM 1962 O HOH 154 127.886 74.225 5.977 1.00 39.94 O HETATM 1963 O HOH 155 120.812 50.821 -3.787 1.00 36.19 O HETATM 1964 O HOH 156 142.196 72.325 5.219 1.00 39.52 O HETATM 1965 N1 UNN A 157 116.622 51.917 12.580 1.00 -0.34 N HETATM 1966 C2 UNN A 157 117.600 52.583 13.487 1.00 0.04 C HETATM 1967 C3 UNN A 157 117.439 53.917 13.788 1.00 -0.04 C HETATM 1968 C4 UNN A 157 118.330 54.544 14.620 1.00 -0.05 C HETATM 1969 C5 UNN A 157 119.389 53.818 15.163 1.00 0.09 C HETATM 1970 C6 UNN A 157 119.567 52.501 14.866 1.00 -0.05 C HETATM 1971 C7 UNN A 157 118.660 51.868 14.021 1.00 -0.04 C HETATM 1972 H6 UNN A 157 118.783 50.818 13.781 1.00 0.05 H HETATM 1973 H5 UNN A 157 120.404 51.953 15.282 1.00 0.06 H HETATM 1974 S8 UNN A 157 120.566 54.689 16.252 1.00 0.06 S HETATM 1975 O9 UNN A 157 121.121 53.815 17.275 1.00 -0.15 O HETATM 1976 O10 UNN A 157 119.886 55.778 16.997 1.00 -0.15 O HETATM 1977 N11 UNN A 157 121.798 55.293 15.206 1.00 -0.23 N HETATM 1978 C12 UNN A 157 122.570 54.279 14.470 1.00 0.03 C HETATM 1979 C13 UNN A 157 124.058 54.643 14.413 1.00 -0.03 C HETATM 1980 C14 UNN A 157 124.819 53.658 13.466 1.00 -0.06 C HETATM 1981 H10 UNN A 157 125.884 53.930 13.434 1.00 0.02 H HETATM 1982 H11 UNN A 157 124.394 53.721 12.453 1.00 0.02 H HETATM 1983 H12 UNN A 157 124.714 52.631 13.845 1.00 0.02 H HETATM 1984 C15 UNN A 157 124.694 54.703 15.823 1.00 -0.06 C HETATM 1985 H13 UNN A 157 124.127 55.406 16.451 1.00 0.02 H HETATM 1986 H14 UNN A 157 125.737 55.044 15.741 1.00 0.02 H HETATM 1987 H15 UNN A 157 124.670 53.702 16.279 1.00 0.02 H HETATM 1988 H9 UNN A 157 124.137 55.650 13.977 1.00 0.03 H HETATM 1989 H7 UNN A 157 122.180 54.207 13.444 1.00 0.05 H HETATM 1990 H8 UNN A 157 122.458 53.308 14.974 1.00 0.05 H HETATM 1991 C16 UNN A 157 121.470 56.647 14.536 1.00 0.06 C HETATM 1992 C17 UNN A 157 122.418 57.747 15.103 1.00 0.10 C HETATM 1993 O18 UNN A 157 122.294 58.893 14.343 1.00 -0.39 O HETATM 1994 H19 UNN A 157 122.531 58.702 13.443 1.00 0.21 H HETATM 1995 C19 UNN A 157 122.062 58.041 16.569 1.00 0.08 C HETATM 1996 N20 UNN A 157 123.044 58.979 17.044 1.00 -0.26 N HETATM 1997 C21 UNN A 157 124.000 58.655 18.099 1.00 0.32 C HETATM 1998 O22 UNN A 157 123.995 57.599 18.656 1.00 -0.38 O HETATM 1999 O23 UNN A 157 124.895 59.679 18.389 1.00 -0.26 O HETATM 2000 C24 UNN A 157 125.667 59.657 19.568 1.00 0.12 C HETATM 2001 C25 UNN A 157 127.146 60.250 19.116 1.00 0.08 C HETATM 2002 O26 UNN A 157 126.924 61.570 18.974 1.00 -0.35 O HETATM 2003 C27 UNN A 157 125.877 61.915 20.097 1.00 0.16 C HETATM 2004 O28 UNN A 157 124.962 62.656 19.650 1.00 -0.35 O HETATM 2005 C29 UNN A 157 123.559 61.838 19.708 1.00 0.05 C HETATM 2006 C30 UNN A 157 123.746 60.782 20.481 1.00 -0.02 C HETATM 2007 C31 UNN A 157 125.226 60.524 20.495 1.00 0.04 C HETATM 2008 H30 UNN A 157 125.539 60.192 21.496 1.00 0.04 H HETATM 2009 H28 UNN A 157 123.212 59.912 20.072 1.00 0.03 H HETATM 2010 H29 UNN A 157 123.386 60.988 21.500 1.00 0.03 H HETATM 2011 H26 UNN A 157 123.270 61.516 18.697 1.00 0.06 H HETATM 2012 H27 UNN A 157 122.769 62.477 20.130 1.00 0.06 H HETATM 2013 H25 UNN A 157 126.368 62.392 20.958 1.00 0.09 H HETATM 2014 H23 UNN A 157 127.476 59.802 18.167 1.00 0.06 H HETATM 2015 H24 UNN A 157 127.901 60.059 19.893 1.00 0.06 H HETATM 2016 H22 UNN A 157 125.727 58.638 19.979 1.00 0.07 H HETATM 2017 H21 UNN A 157 123.073 59.891 16.635 1.00 0.19 H HETATM 2018 C32 UNN A 157 120.710 58.730 16.738 1.00 0.01 C HETATM 2019 C38 UNN A 157 120.499 59.212 18.177 1.00 -0.04 C HETATM 2020 C33 UNN A 157 120.250 58.301 19.177 1.00 -0.06 C HETATM 2021 C34 UNN A 157 120.059 58.739 20.502 1.00 -0.07 C HETATM 2022 C35 UNN A 157 120.122 60.110 20.807 1.00 -0.07 C HETATM 2023 C36 UNN A 157 120.374 61.025 19.808 1.00 -0.07 C HETATM 2024 C37 UNN A 157 120.565 60.590 18.489 1.00 -0.06 C HETATM 2025 H37 UNN A 157 120.764 61.312 17.706 1.00 0.06 H HETATM 2026 H36 UNN A 157 120.425 62.082 20.042 1.00 0.06 H HETATM 2027 H35 UNN A 157 119.973 60.447 21.826 1.00 0.06 H HETATM 2028 H34 UNN A 157 119.863 58.018 21.288 1.00 0.06 H HETATM 2029 H33 UNN A 157 120.201 57.243 18.945 1.00 0.06 H HETATM 2030 H31 UNN A 157 119.912 58.019 16.479 1.00 0.04 H HETATM 2031 H32 UNN A 157 120.663 59.596 16.061 1.00 0.04 H HETATM 2032 H20 UNN A 157 122.083 57.109 17.152 1.00 0.06 H HETATM 2033 H18 UNN A 157 123.457 57.391 15.051 1.00 0.06 H HETATM 2034 H16 UNN A 157 120.425 56.918 14.748 1.00 0.05 H HETATM 2035 H17 UNN A 157 121.614 56.563 13.449 1.00 0.05 H HETATM 2036 H4 UNN A 157 118.212 55.596 14.854 1.00 0.06 H HETATM 2037 H3 UNN A 157 116.608 54.471 13.367 1.00 0.05 H HETATM 2038 H1 UNN A 157 115.836 52.454 12.186 1.00 0.17 H HETATM 2039 H2 UNN A 157 116.732 50.920 12.347 1.00 0.17 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 894 895 900 901 902 CONECT 901 894 CONECT 902 894 CONECT 1965 1966 2038 2039 CONECT 1966 1965 1967 1971 CONECT 1967 1966 1968 2037 CONECT 1968 1967 1969 2036 CONECT 1969 1968 1970 1974 CONECT 1970 1969 1971 1973 CONECT 1971 1966 1970 1972 CONECT 1972 1971 CONECT 1973 1970 CONECT 1974 1969 1975 1976 1977 CONECT 1975 1974 CONECT 1976 1974 CONECT 1977 1974 1978 1991 CONECT 1978 1977 1979 1989 1990 CONECT 1979 1978 1980 1984 1988 CONECT 1980 1979 1981 1982 1983 CONECT 1981 1980 CONECT 1982 1980 CONECT 1983 1980 CONECT 1984 1979 1985 1986 1987 CONECT 1985 1984 CONECT 1986 1984 CONECT 1987 1984 CONECT 1988 1979 CONECT 1989 1978 CONECT 1990 1978 CONECT 1991 1977 1992 2034 2035 CONECT 1992 1991 1993 1995 2033 CONECT 1993 1992 1994 CONECT 1994 1993 CONECT 1995 1992 1996 2018 2032 CONECT 1996 1995 1997 2017 CONECT 1997 1996 1998 1999 CONECT 1998 1997 CONECT 1999 1997 2000 CONECT 2000 1999 2001 2007 2016 CONECT 2001 2000 2002 2014 2015 CONECT 2002 2001 2003 CONECT 2003 2002 2004 2007 2013 CONECT 2004 2003 2005 CONECT 2005 2004 2006 2011 2012 CONECT 2006 2005 2007 2009 2010 CONECT 2007 2000 2003 2006 2008 CONECT 2008 2007 CONECT 2009 2006 CONECT 2010 2006 CONECT 2011 2005 CONECT 2012 2005 CONECT 2013 2003 CONECT 2014 2001 CONECT 2015 2001 CONECT 2016 2000 CONECT 2017 1996 CONECT 2018 1995 2019 2030 2031 CONECT 2019 2018 2020 2024 CONECT 2020 2019 2021 2029 CONECT 2021 2020 2022 2028 CONECT 2022 2021 2023 2027 CONECT 2023 2022 2024 2026 CONECT 2024 2019 2023 2025 CONECT 2025 2024 CONECT 2026 2023 CONECT 2027 2022 CONECT 2028 2021 CONECT 2029 2020 CONECT 2030 2018 CONECT 2031 2018 CONECT 2032 1995 CONECT 2033 1992 CONECT 2034 1991 CONECT 2035 1991 CONECT 2036 1968 CONECT 2037 1967 CONECT 2038 1965 CONECT 2039 1965 MASTER 0 0 0 0 0 0 0 0 2037 2 81 16 END
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Structure:
Ligand 2D
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Related entries of code: 6dh0
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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RCSB PDB
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99aa, >1EBY_1|Chains... at 90%
1hxw
RCSB PDB
PDBbind
99aa, >1HXW_1|Chains... at 90%
1izh
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PDBbind
99aa, >1IZH_1|Chains... at 90%
1k6c
RCSB PDB
PDBbind
99aa, >1K6C_1|Chains... at 91%
1k6p
RCSB PDB
PDBbind
99aa, >1K6P_1|Chains... at 91%
1k6t
RCSB PDB
PDBbind
99aa, >1K6T_1|Chains... at 91%
1k6v
RCSB PDB
PDBbind
99aa, >1K6V_1|Chains... at 91%
1pro
RCSB PDB
PDBbind
99aa, >1PRO_1|Chains... at 90%
1sbg
RCSB PDB
PDBbind
99aa, >1SBG_1|Chains... at 90%
1t7j
RCSB PDB
PDBbind
99aa, >1T7J_1|Chains... at 91%
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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
PDBbind
99aa, >3EL5_1|Chains... at 91%
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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PDBbind
203aa, >4EQJ_1|Chain... *
4ll3
RCSB PDB
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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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99aa, >5HVP_1|Chains... at 90%
5ivs
RCSB PDB
PDBbind
99aa, >5IVS_1|Chains... at 90%
6dgx
RCSB PDB
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99aa, >6DGX_1|Chains... at 91%
6dgy
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99aa, >6DGY_1|Chains... at 91%
6dgz
RCSB PDB
PDBbind
99aa, >6DGZ_1|Chains... at 91%
6dh1
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99aa, >6DH1_1|Chains... at 90%
6dh2
RCSB PDB
PDBbind
99aa, >6DH2_1|Chains... at 90%
6dh3
RCSB PDB
PDBbind
99aa, >6DH3_1|Chains... at 90%
6dh4
RCSB PDB
PDBbind
99aa, >6DH4_1|Chains... at 90%
6dh5
RCSB PDB
PDBbind
99aa, >6DH5_1|Chains... at 90%
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PDBbind
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RCSB PDB
PDBbind
99aa, >6DH7_1|Chains... at 90%
6dh8
RCSB PDB
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9hvp
RCSB PDB
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6oy2
RCSB PDB
PDBbind
99aa, >6OY2_1|Chains... at 91%
6oy0
RCSB PDB
PDBbind
99aa, >6OY0_1|Chains... at 91%
6oxz
RCSB PDB
PDBbind
99aa, >6OXZ_1|Chains... at 91%
6oxy
RCSB PDB
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99aa, >6OXY_1|Chains... at 91%
6oxx
RCSB PDB
PDBbind
99aa, >6OXX_1|Chains... at 91%
6oxw
RCSB PDB
PDBbind
99aa, >6OXW_1|Chains... at 91%
6oxv
RCSB PDB
PDBbind
99aa, >6OXV_1|Chains... at 91%
6oxu
RCSB PDB
PDBbind
99aa, >6OXU_1|Chains... at 91%
6oxt
RCSB PDB
PDBbind
99aa, >6OXT_1|Chains... at 91%
6oxs
RCSB PDB
PDBbind
99aa, >6OXS_1|Chains... at 91%
6oxr
RCSB PDB
PDBbind
99aa, >6OXR_1|Chains... at 91%
6oxq
RCSB PDB
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99aa, >6OXQ_1|Chains... at 91%
6oxp
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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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PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
2f80
RCSB PDB
PDBbind
017
2f81
RCSB PDB
PDBbind
017
2f8g
RCSB PDB
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017
2hs1
RCSB PDB
PDBbind
017
2hs2
RCSB PDB
PDBbind
017
2idw
RCSB PDB
PDBbind
017
2ien
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017
2ieo
RCSB PDB
PDBbind
017
3bvb
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017
3cyw
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PDBbind
017
3d1z
RCSB PDB
PDBbind
017
3d20
RCSB PDB
PDBbind
017
3ekt
RCSB PDB
PDBbind
017
3ggu
RCSB PDB
PDBbind
017
3lzs
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017
3lzu
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PDBbind
017
3lzv
RCSB PDB
PDBbind
017
3ogp
RCSB PDB
PDBbind
017
3pwm
RCSB PDB
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017
3s53
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PDBbind
017
3s54
RCSB PDB
PDBbind
017
3so9
RCSB PDB
PDBbind
017
3t3c
RCSB PDB
PDBbind
017
3tkw
RCSB PDB
PDBbind
017
3ttp
RCSB PDB
PDBbind
017
3u7s
RCSB PDB
PDBbind
017
4hla
RCSB PDB
PDBbind
017
4ll3
RCSB PDB
PDBbind
017
4q1w
RCSB PDB
PDBbind
017
4q1x
RCSB PDB
PDBbind
017
4q1y
RCSB PDB
PDBbind
017
5kqy
RCSB PDB
PDBbind
017
5kr1
RCSB PDB
PDBbind
017
6dgx
RCSB PDB
PDBbind
017
6dh3
RCSB PDB
PDBbind
017
6dh6
RCSB PDB
PDBbind
017
6oou
RCSB PDB
PDBbind
017
6oot
RCSB PDB
PDBbind
017
6oos
RCSB PDB
PDBbind
017
Entry Information
PDB ID
6dh0
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
HIV-1 Protease I84V Mutant
Ligand Name
017
EC.Number
E.C.-.-.-.-
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
Ki=25.6pM
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
7
H
3
7
N
3
O
7
S
Molecular Weight
547.664
Exact Mass
547.235
No. of atoms
75
No. of bonds
78
Polar Surface Area
148.8
LOGP Value
2.94 (
Computed with XLOGP3
)
4.43 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 4
Canonical SMILES
CC(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/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/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):
Q7ZCI0
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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