Browse entries in the PDBbind-CN Database
HEADER 5DP4_COMPLEX COMPND 5DP4_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 181 MET GLY PRO SER LEU ASP PHE ALA LEU SER LEU LEU ARG SEQRES 2 A 181 ARG ASN VAL ARG GLN VAL GLN THR ASP GLN GLY HIS PHE SEQRES 3 A 181 THR MET LEU GLY VAL ARG ASP ARG LEU ALA VAL LEU PRO SEQRES 4 A 181 ARG HIS SER GLN PRO GLY LYS THR ILE TRP ILE GLU HIS SEQRES 5 A 181 LYS LEU VAL ASN ILE LEU ASP ALA VAL GLU LEU VAL ASP SEQRES 6 A 181 GLU GLN GLY VAL ASN LEU GLU LEU THR LEU ILE THR LEU SEQRES 7 A 181 ASP THR ASN GLU LYS PHE ARG ASP ILE THR LYS PHE ILE SEQRES 8 A 181 PRO GLU ASN ILE SER THR ALA SER ASP ALA THR LEU VAL SEQRES 9 A 181 ILE ASN THR GLU HIS MET PRO SER MET PHE VAL PRO VAL SEQRES 10 A 181 GLY ASP VAL VAL GLN TYR GLY PHE LEU ASN LEU SER GLY SEQRES 11 A 181 LYS PRO THR HIS ARG THR MET MET TYR ASN PHE PRO THR SEQRES 12 A 181 LYS ALA GLY GLN CYS GLY GLY VAL VAL THR SER VAL GLY SEQRES 13 A 181 LYS VAL ILE GLY ILE HIS ILE GLY GLY ASN GLY ARG GLN SEQRES 14 A 181 GLY PHE CYS ALA GLY LEU LYS ARG SER TYR PHE ALA HET UNN A 283 57 ATOM 1 N MET A 0 32.578 27.140 1.061 1.00 23.95 N ATOM 2 CA MET A 0 32.330 25.858 1.769 1.00 22.69 C ATOM 3 C MET A 0 31.709 24.802 0.886 1.00 21.04 C ATOM 4 O MET A 0 30.714 25.048 0.171 1.00 23.86 O ATOM 5 CB MET A 0 31.400 26.095 2.912 1.00 22.89 C ATOM 6 CG MET A 0 31.140 24.832 3.701 1.00 24.11 C ATOM 7 SD MET A 0 29.937 25.120 4.988 1.00 22.31 S ATOM 8 CE MET A 0 30.783 26.324 6.034 1.00 22.61 C ATOM 9 HN3 MET A 0 31.677 27.518 0.704 1.00 0.00 H ATOM 10 HN2 MET A 0 33.226 26.975 0.264 1.00 0.00 H ATOM 11 HN1 MET A 0 33.004 27.822 1.720 1.00 0.00 H ATOM 12 N GLY A 1 32.260 23.610 0.937 1.00 19.30 N ATOM 13 CA GLY A 1 31.735 22.503 0.123 1.00 19.16 C ATOM 14 C GLY A 1 30.411 21.917 0.599 1.00 20.15 C ATOM 15 O GLY A 1 29.888 22.232 1.695 1.00 20.82 O ATOM 16 H GLY A 1 33.077 23.447 1.560 1.00 0.00 H ATOM 17 N PRO A 2 29.883 20.994 -0.194 1.00 20.35 N ATOM 18 CA PRO A 2 28.508 20.527 -0.018 1.00 19.72 C ATOM 19 C PRO A 2 28.294 19.578 1.165 1.00 18.89 C ATOM 20 O PRO A 2 27.213 19.613 1.776 1.00 19.26 O ATOM 21 CB PRO A 2 28.230 19.791 -1.348 1.00 19.99 C ATOM 22 CG PRO A 2 29.575 19.243 -1.715 1.00 19.79 C ATOM 23 CD PRO A 2 30.555 20.315 -1.320 1.00 19.17 C ATOM 24 N SER A 3 29.276 18.742 1.476 1.00 16.47 N ATOM 25 CA SER A 3 29.172 17.840 2.607 1.00 14.82 C ATOM 26 C SER A 3 29.220 18.537 3.953 1.00 14.39 C ATOM 27 O SER A 3 28.415 18.257 4.854 1.00 12.41 O ATOM 28 CB SER A 3 30.263 16.773 2.567 1.00 15.85 C ATOM 29 OG SER A 3 30.019 15.892 1.482 1.00 16.38 O ATOM 30 HG SER A 3 30.726 15.200 1.455 1.00 0.00 H ATOM 31 H SER A 3 30.139 18.733 0.896 1.00 0.00 H ATOM 32 N LEU A 4 30.186 19.443 4.111 1.00 14.33 N ATOM 33 CA LEU A 4 30.234 20.253 5.300 1.00 13.52 C ATOM 34 C LEU A 4 28.916 21.075 5.419 1.00 13.36 C ATOM 35 O LEU A 4 28.331 21.194 6.496 1.00 12.82 O ATOM 36 CB LEU A 4 31.469 21.159 5.317 1.00 13.56 C ATOM 37 CG LEU A 4 31.630 21.913 6.635 1.00 14.65 C ATOM 38 CD1 LEU A 4 31.662 20.956 7.828 1.00 14.55 C ATOM 39 CD2 LEU A 4 32.899 22.780 6.673 1.00 14.50 C ATOM 40 H LEU A 4 30.908 19.565 3.372 1.00 0.00 H ATOM 41 N ASP A 5 28.513 21.725 4.348 1.00 12.71 N ATOM 42 CA ASP A 5 27.309 22.567 4.387 1.00 12.74 C ATOM 43 C ASP A 5 26.045 21.751 4.783 1.00 13.18 C ATOM 44 O ASP A 5 25.263 22.218 5.582 1.00 12.40 O ATOM 45 CB ASP A 5 27.086 23.209 3.024 1.00 12.97 C ATOM 46 CG ASP A 5 25.797 23.963 2.946 1.00 13.03 C ATOM 47 OD1 ASP A 5 25.711 25.086 3.410 1.00 14.41 O ATOM 48 OD2 ASP A 5 24.862 23.449 2.380 1.00 13.28 O ATOM 49 H ASP A 5 29.053 21.642 3.463 1.00 0.00 H ATOM 50 N PHE A 6 25.929 20.523 4.286 1.00 12.68 N ATOM 51 CA PHE A 6 24.806 19.662 4.662 1.00 12.73 C ATOM 52 C PHE A 6 24.851 19.303 6.177 1.00 13.40 C ATOM 53 O PHE A 6 23.820 19.313 6.880 1.00 13.74 O ATOM 54 CB PHE A 6 24.784 18.395 3.791 1.00 11.54 C ATOM 55 CG PHE A 6 23.662 17.439 4.100 1.00 11.21 C ATOM 56 CD1 PHE A 6 22.366 17.692 3.637 1.00 11.68 C ATOM 57 CD2 PHE A 6 23.854 16.300 4.832 1.00 11.08 C ATOM 58 CE1 PHE A 6 21.307 16.843 3.933 1.00 11.27 C ATOM 59 CE2 PHE A 6 22.803 15.446 5.126 1.00 11.51 C ATOM 60 CZ PHE A 6 21.530 15.717 4.667 1.00 11.14 C ATOM 61 H PHE A 6 26.646 20.169 3.621 1.00 0.00 H ATOM 62 N ALA A 7 26.021 18.916 6.657 1.00 13.24 N ATOM 63 CA ALA A 7 26.109 18.473 8.064 1.00 13.10 C ATOM 64 C ALA A 7 25.849 19.634 8.977 1.00 13.45 C ATOM 65 O ALA A 7 25.114 19.519 9.986 1.00 12.97 O ATOM 66 CB ALA A 7 27.469 17.836 8.345 1.00 13.27 C ATOM 67 H ALA A 7 26.867 18.923 6.053 1.00 0.00 H ATOM 68 N LEU A 8 26.400 20.807 8.629 1.00 13.55 N ATOM 69 CA LEU A 8 26.138 22.006 9.449 1.00 14.27 C ATOM 70 C LEU A 8 24.649 22.428 9.415 1.00 15.44 C ATOM 71 O LEU A 8 24.043 22.817 10.436 1.00 16.10 O ATOM 72 CB LEU A 8 27.054 23.147 9.054 1.00 13.73 C ATOM 73 CG LEU A 8 28.547 22.894 9.383 1.00 15.05 C ATOM 74 CD1 LEU A 8 29.417 23.989 8.765 1.00 15.22 C ATOM 75 CD2 LEU A 8 28.759 22.845 10.906 1.00 15.13 C ATOM 76 H LEU A 8 27.007 20.871 7.787 1.00 0.00 H ATOM 77 N SER A 9 24.049 22.343 8.262 1.00 15.78 N ATOM 78 CA SER A 9 22.649 22.675 8.164 1.00 17.78 C ATOM 79 C SER A 9 21.776 21.647 8.925 1.00 16.12 C ATOM 80 O SER A 9 20.813 22.029 9.571 1.00 13.92 O ATOM 81 CB SER A 9 22.234 22.836 6.675 1.00 19.18 C ATOM 82 OG SER A 9 21.220 21.895 6.361 1.00 25.42 O ATOM 83 HG SER A 9 21.564 20.979 6.511 1.00 0.00 H ATOM 84 H SER A 9 24.575 22.038 7.419 1.00 0.00 H ATOM 85 N LEU A 10 22.136 20.363 8.914 1.00 16.47 N ATOM 86 CA LEU A 10 21.469 19.396 9.801 1.00 16.89 C ATOM 87 C LEU A 10 21.551 19.846 11.290 1.00 16.85 C ATOM 88 O LEU A 10 20.548 19.784 12.045 1.00 17.87 O ATOM 89 CB LEU A 10 22.137 18.024 9.726 1.00 17.94 C ATOM 90 CG LEU A 10 21.612 16.913 8.848 1.00 19.39 C ATOM 91 CD1 LEU A 10 22.484 15.694 9.113 1.00 20.40 C ATOM 92 CD2 LEU A 10 20.143 16.575 9.063 1.00 18.59 C ATOM 93 H LEU A 10 22.892 20.043 8.275 1.00 0.00 H ATOM 94 N LEU A 11 22.743 20.268 11.712 1.00 14.61 N ATOM 95 CA LEU A 11 22.980 20.739 13.041 1.00 15.35 C ATOM 96 C LEU A 11 22.153 21.944 13.380 1.00 18.15 C ATOM 97 O LEU A 11 21.631 22.056 14.485 1.00 22.39 O ATOM 98 CB LEU A 11 24.467 21.099 13.273 1.00 14.80 C ATOM 99 CG LEU A 11 25.456 19.969 13.615 1.00 15.10 C ATOM 100 CD1 LEU A 11 26.926 20.462 13.584 1.00 15.69 C ATOM 101 CD2 LEU A 11 25.137 19.399 14.983 1.00 14.55 C ATOM 102 H LEU A 11 23.539 20.254 11.042 1.00 0.00 H ATOM 103 N ARG A 12 22.035 22.872 12.457 1.00 18.73 N ATOM 104 CA ARG A 12 21.220 24.062 12.708 1.00 18.51 C ATOM 105 C ARG A 12 19.737 23.733 12.823 1.00 17.28 C ATOM 106 O ARG A 12 19.055 24.361 13.593 1.00 18.12 O ATOM 107 CB ARG A 12 21.457 25.129 11.607 1.00 18.57 C ATOM 108 CG ARG A 12 22.735 25.911 11.902 1.00 19.16 C ATOM 109 CD ARG A 12 22.915 27.144 11.058 1.00 19.35 C ATOM 110 NE ARG A 12 22.854 26.816 9.641 1.00 19.86 N ATOM 111 CZ ARG A 12 23.904 26.458 8.889 1.00 20.51 C ATOM 112 NH1 ARG A 12 25.152 26.413 9.385 1.00 19.97 N ATOM 113 NH2 ARG A 12 23.698 26.191 7.595 1.00 19.37 N ATOM 114 HE ARG A 12 21.925 26.863 9.177 1.00 0.00 H ATOM 115 HH12 ARG A 12 25.945 26.131 8.774 1.00 0.00 H ATOM 116 HH11 ARG A 12 25.325 26.660 10.380 1.00 0.00 H ATOM 117 HH22 ARG A 12 24.495 25.911 6.989 1.00 0.00 H ATOM 118 HH21 ARG A 12 22.741 26.263 7.195 1.00 0.00 H ATOM 119 H ARG A 12 22.522 22.761 11.545 1.00 0.00 H ATOM 120 N ARG A 13 19.212 22.849 11.983 1.00 16.62 N ATOM 121 CA ARG A 13 17.756 22.724 11.880 1.00 17.08 C ATOM 122 C ARG A 13 17.139 21.430 12.394 1.00 15.55 C ATOM 123 O ARG A 13 15.957 21.422 12.695 1.00 15.10 O ATOM 124 CB ARG A 13 17.224 23.002 10.487 1.00 21.52 C ATOM 125 CG ARG A 13 18.260 23.294 9.457 1.00 24.54 C ATOM 126 CD ARG A 13 17.990 24.496 8.576 1.00 27.78 C ATOM 127 NE ARG A 13 16.682 24.495 7.946 1.00 32.94 N ATOM 128 CZ ARG A 13 16.396 24.985 6.734 1.00 33.91 C ATOM 129 NH1 ARG A 13 17.339 25.485 5.933 1.00 36.85 N ATOM 130 NH2 ARG A 13 15.142 24.967 6.323 1.00 29.81 N ATOM 131 HE ARG A 13 15.897 24.076 8.485 1.00 0.00 H ATOM 132 HH12 ARG A 13 17.082 25.858 4.997 1.00 0.00 H ATOM 133 HH11 ARG A 13 18.331 25.502 6.245 1.00 0.00 H ATOM 134 HH22 ARG A 13 14.897 25.343 5.385 1.00 0.00 H ATOM 135 HH21 ARG A 13 14.399 24.577 6.937 1.00 0.00 H ATOM 136 H ARG A 13 19.831 22.249 11.401 1.00 0.00 H ATOM 137 N ASN A 14 17.915 20.346 12.527 1.00 13.45 N ATOM 138 CA ASN A 14 17.347 19.050 12.915 1.00 12.00 C ATOM 139 C ASN A 14 17.999 18.276 14.076 1.00 11.93 C ATOM 140 O ASN A 14 17.364 17.388 14.593 1.00 12.95 O ATOM 141 CB ASN A 14 17.325 18.134 11.709 1.00 11.55 C ATOM 142 CG ASN A 14 16.406 18.633 10.619 1.00 11.92 C ATOM 143 OD1 ASN A 14 16.841 19.365 9.728 1.00 12.36 O ATOM 144 ND2 ASN A 14 15.152 18.259 10.687 1.00 11.54 N ATOM 145 HD22 ASN A 14 14.835 17.640 11.460 1.00 0.00 H ATOM 146 HD21 ASN A 14 14.473 18.581 9.968 1.00 0.00 H ATOM 147 H ASN A 14 18.937 20.424 12.352 1.00 0.00 H ATOM 148 N VAL A 15 19.232 18.579 14.465 1.00 11.74 N ATOM 149 CA VAL A 15 19.948 17.762 15.400 1.00 12.69 C ATOM 150 C VAL A 15 20.072 18.582 16.651 1.00 13.17 C ATOM 151 O VAL A 15 20.796 19.566 16.652 1.00 13.09 O ATOM 152 CB VAL A 15 21.330 17.393 14.853 1.00 12.59 C ATOM 153 CG1 VAL A 15 22.079 16.528 15.826 1.00 12.98 C ATOM 154 CG2 VAL A 15 21.211 16.670 13.525 1.00 12.87 C ATOM 155 H VAL A 15 19.690 19.431 14.082 1.00 0.00 H ATOM 156 N ARG A 16 19.362 18.187 17.715 1.00 12.73 N ATOM 157 CA ARG A 16 19.300 18.974 18.921 1.00 13.05 C ATOM 158 C ARG A 16 20.027 18.359 20.106 1.00 12.81 C ATOM 159 O ARG A 16 20.088 17.120 20.287 1.00 11.50 O ATOM 160 CB ARG A 16 17.857 19.140 19.346 1.00 14.65 C ATOM 161 CG ARG A 16 16.979 19.779 18.317 1.00 16.14 C ATOM 162 CD ARG A 16 17.263 21.259 18.248 1.00 18.15 C ATOM 163 NE ARG A 16 16.228 21.919 17.463 1.00 19.21 N ATOM 164 CZ ARG A 16 16.451 22.529 16.308 1.00 20.72 C ATOM 165 NH1 ARG A 16 17.683 22.632 15.762 1.00 20.76 N ATOM 166 NH2 ARG A 16 15.438 23.080 15.733 1.00 22.73 N ATOM 167 HE ARG A 16 15.255 21.911 17.831 1.00 0.00 H ATOM 168 HH12 ARG A 16 17.810 23.120 14.853 1.00 0.00 H ATOM 169 HH11 ARG A 16 18.504 22.223 16.251 1.00 0.00 H ATOM 170 HH22 ARG A 16 15.560 23.572 14.825 1.00 0.00 H ATOM 171 HH21 ARG A 16 14.499 23.033 16.177 1.00 0.00 H ATOM 172 H ARG A 16 18.841 17.288 17.670 1.00 0.00 H ATOM 173 N GLN A 17 20.512 19.259 20.957 1.00 13.16 N ATOM 174 CA GLN A 17 21.096 18.893 22.250 1.00 12.87 C ATOM 175 C GLN A 17 19.962 18.707 23.243 1.00 12.01 C ATOM 176 O GLN A 17 19.185 19.602 23.438 1.00 10.98 O ATOM 177 CB GLN A 17 22.037 20.008 22.734 1.00 12.86 C ATOM 178 CG GLN A 17 23.128 20.426 21.754 1.00 12.65 C ATOM 179 CD GLN A 17 23.907 21.663 22.263 1.00 13.35 C ATOM 180 OE1 GLN A 17 23.663 22.174 23.354 1.00 13.23 O ATOM 181 NE2 GLN A 17 24.847 22.116 21.482 1.00 13.88 N ATOM 182 HE22 GLN A 17 25.026 21.659 20.565 1.00 0.00 H ATOM 183 HE21 GLN A 17 25.418 22.934 21.776 1.00 0.00 H ATOM 184 H GLN A 17 20.475 20.264 20.694 1.00 0.00 H ATOM 185 N VAL A 18 19.855 17.505 23.809 1.00 11.95 N ATOM 186 CA VAL A 18 18.837 17.190 24.786 1.00 11.62 C ATOM 187 C VAL A 18 19.357 16.457 26.038 1.00 12.19 C ATOM 188 O VAL A 18 20.463 15.989 26.082 1.00 10.79 O ATOM 189 CB VAL A 18 17.655 16.396 24.158 1.00 11.60 C ATOM 190 CG1 VAL A 18 17.135 17.074 22.895 1.00 11.22 C ATOM 191 CG2 VAL A 18 18.041 14.942 23.895 1.00 11.80 C ATOM 192 H VAL A 18 20.531 16.763 23.537 1.00 0.00 H ATOM 193 N GLN A 19 18.509 16.436 27.065 1.00 14.03 N ATOM 194 CA GLN A 19 18.759 15.759 28.315 1.00 15.75 C ATOM 195 C GLN A 19 17.532 15.040 28.788 1.00 14.04 C ATOM 196 O GLN A 19 16.494 15.629 28.853 1.00 14.31 O ATOM 197 CB GLN A 19 19.102 16.773 29.420 1.00 18.59 C ATOM 198 CG GLN A 19 20.553 16.862 29.747 1.00 22.00 C ATOM 199 CD GLN A 19 20.843 17.922 30.787 1.00 24.03 C ATOM 200 OE1 GLN A 19 20.835 17.613 31.971 1.00 26.07 O ATOM 201 NE2 GLN A 19 21.104 19.181 30.340 1.00 25.93 N ATOM 202 HE22 GLN A 19 21.096 19.383 29.320 1.00 0.00 H ATOM 203 HE21 GLN A 19 21.311 19.941 31.019 1.00 0.00 H ATOM 204 H GLN A 19 17.606 16.941 26.959 1.00 0.00 H ATOM 205 N THR A 20 17.685 13.805 29.195 1.00 13.66 N ATOM 206 CA THR A 20 16.660 13.085 29.916 1.00 13.58 C ATOM 207 C THR A 20 17.261 12.706 31.282 1.00 14.47 C ATOM 208 O THR A 20 18.400 12.990 31.542 1.00 12.74 O ATOM 209 CB THR A 20 16.308 11.790 29.197 1.00 12.69 C ATOM 210 OG1 THR A 20 17.412 10.889 29.272 1.00 12.52 O ATOM 211 CG2 THR A 20 15.965 12.071 27.723 1.00 12.96 C ATOM 212 HG1 THR A 20 17.182 10.047 28.804 1.00 0.00 H ATOM 213 H THR A 20 18.583 13.321 28.991 1.00 0.00 H ATOM 214 N ASP A 21 16.483 12.046 32.136 1.00 17.29 N ATOM 215 CA ASP A 21 17.016 11.500 33.392 1.00 19.18 C ATOM 216 C ASP A 21 18.157 10.563 33.190 1.00 18.92 C ATOM 217 O ASP A 21 18.863 10.285 34.141 1.00 16.96 O ATOM 218 CB ASP A 21 15.917 10.725 34.149 1.00 22.92 C ATOM 219 CG ASP A 21 14.758 11.631 34.601 1.00 26.94 C ATOM 220 OD1 ASP A 21 14.927 12.871 34.637 1.00 29.75 O ATOM 221 OD2 ASP A 21 13.669 11.115 34.909 1.00 32.72 O ATOM 222 H ASP A 21 15.477 11.914 31.910 1.00 0.00 H ATOM 223 N GLN A 22 18.318 10.002 31.981 1.00 19.52 N ATOM 224 CA GLN A 22 19.458 9.085 31.692 1.00 19.52 C ATOM 225 C GLN A 22 20.723 9.833 31.306 1.00 19.68 C ATOM 226 O GLN A 22 21.790 9.234 31.230 1.00 19.57 O ATOM 227 CB GLN A 22 19.094 8.089 30.580 1.00 20.95 C ATOM 228 CG GLN A 22 17.994 7.115 30.977 1.00 21.48 C ATOM 229 CD GLN A 22 18.335 6.395 32.290 1.00 23.86 C ATOM 230 OE1 GLN A 22 17.715 6.622 33.335 1.00 25.16 O ATOM 231 NE2 GLN A 22 19.313 5.527 32.237 1.00 23.85 N ATOM 232 HE22 GLN A 22 19.813 5.361 31.340 1.00 0.00 H ATOM 233 HE21 GLN A 22 19.590 5.003 33.092 1.00 0.00 H ATOM 234 H GLN A 22 17.632 10.212 31.228 1.00 0.00 H ATOM 235 N GLY A 23 20.652 11.140 31.073 1.00 17.66 N ATOM 236 CA GLY A 23 21.849 11.876 30.705 1.00 16.29 C ATOM 237 C GLY A 23 21.682 12.626 29.393 1.00 16.16 C ATOM 238 O GLY A 23 20.568 12.967 28.973 1.00 15.81 O ATOM 239 H GLY A 23 19.741 11.635 31.154 1.00 0.00 H ATOM 240 N HIS A 24 22.808 12.869 28.736 1.00 14.44 N ATOM 241 CA HIS A 24 22.865 13.749 27.579 1.00 13.41 C ATOM 242 C HIS A 24 22.791 12.985 26.282 1.00 12.57 C ATOM 243 O HIS A 24 23.496 11.978 26.075 1.00 13.16 O ATOM 244 CB HIS A 24 24.145 14.577 27.649 1.00 13.48 C ATOM 245 CG HIS A 24 24.069 15.720 28.600 1.00 13.52 C ATOM 246 ND1 HIS A 24 24.329 15.585 29.949 1.00 14.45 N ATOM 247 CD2 HIS A 24 23.753 17.016 28.404 1.00 13.70 C ATOM 248 CE1 HIS A 24 24.224 16.764 30.529 1.00 14.80 C ATOM 249 NE2 HIS A 24 23.869 17.649 29.611 1.00 15.19 N ATOM 250 H HIS A 24 23.684 12.413 29.061 1.00 0.00 H ATOM 251 N PHE A 25 21.956 13.468 25.365 1.00 11.74 N ATOM 252 CA PHE A 25 21.798 12.774 24.069 1.00 11.22 C ATOM 253 C PHE A 25 21.707 13.752 22.919 1.00 10.63 C ATOM 254 O PHE A 25 21.435 14.948 23.123 1.00 10.51 O ATOM 255 CB PHE A 25 20.588 11.864 24.115 1.00 11.09 C ATOM 256 CG PHE A 25 20.713 10.780 25.129 1.00 11.57 C ATOM 257 CD1 PHE A 25 20.285 10.980 26.431 1.00 11.71 C ATOM 258 CD2 PHE A 25 21.241 9.555 24.778 1.00 12.04 C ATOM 259 CE1 PHE A 25 20.389 9.973 27.386 1.00 11.98 C ATOM 260 CE2 PHE A 25 21.400 8.560 25.729 1.00 12.32 C ATOM 261 CZ PHE A 25 20.966 8.769 27.040 1.00 12.09 C ATOM 262 H PHE A 25 21.414 14.334 25.560 1.00 0.00 H ATOM 263 N THR A 26 21.951 13.235 21.721 1.00 9.93 N ATOM 264 CA THR A 26 21.670 13.917 20.472 1.00 9.59 C ATOM 265 C THR A 26 20.302 13.431 20.000 1.00 8.82 C ATOM 266 O THR A 26 20.041 12.221 19.952 1.00 8.78 O ATOM 267 CB THR A 26 22.762 13.609 19.411 1.00 9.59 C ATOM 268 OG1 THR A 26 24.049 14.045 19.867 1.00 9.30 O ATOM 269 CG2 THR A 26 22.447 14.319 18.101 1.00 10.01 C ATOM 270 HG1 THR A 26 24.277 13.574 20.707 1.00 0.00 H ATOM 271 H THR A 26 22.369 12.284 21.675 1.00 0.00 H ATOM 272 N MET A 27 19.445 14.378 19.655 1.00 8.59 N ATOM 273 CA MET A 27 18.115 14.087 19.126 1.00 9.00 C ATOM 274 C MET A 27 17.970 14.570 17.688 1.00 9.12 C ATOM 275 O MET A 27 18.336 15.691 17.386 1.00 10.45 O ATOM 276 CB MET A 27 17.051 14.840 19.968 1.00 10.09 C ATOM 277 CG MET A 27 15.611 14.438 19.665 1.00 10.16 C ATOM 278 SD MET A 27 14.369 15.352 20.537 1.00 11.42 S ATOM 279 CE MET A 27 14.416 16.921 19.652 1.00 10.99 C ATOM 280 H MET A 27 19.730 15.372 19.765 1.00 0.00 H ATOM 281 N LEU A 28 17.378 13.750 16.829 1.00 8.70 N ATOM 282 CA LEU A 28 17.116 14.097 15.479 1.00 8.72 C ATOM 283 C LEU A 28 15.609 14.403 15.290 1.00 9.62 C ATOM 284 O LEU A 28 14.738 13.480 15.448 1.00 9.82 O ATOM 285 CB LEU A 28 17.485 12.915 14.571 1.00 8.45 C ATOM 286 CG LEU A 28 17.214 13.035 13.063 1.00 8.46 C ATOM 287 CD1 LEU A 28 18.111 14.123 12.467 1.00 8.88 C ATOM 288 CD2 LEU A 28 17.482 11.726 12.339 1.00 8.29 C ATOM 289 H LEU A 28 17.092 12.807 17.162 1.00 0.00 H ATOM 290 N GLY A 29 15.301 15.658 14.952 1.00 9.58 N ATOM 291 CA GLY A 29 13.976 16.028 14.569 1.00 10.22 C ATOM 292 C GLY A 29 13.816 15.675 13.094 1.00 11.43 C ATOM 293 O GLY A 29 14.686 16.016 12.259 1.00 12.88 O ATOM 294 H GLY A 29 16.045 16.384 14.968 1.00 0.00 H ATOM 295 N VAL A 30 12.749 14.977 12.757 1.00 11.81 N ATOM 296 CA VAL A 30 12.603 14.433 11.428 1.00 12.92 C ATOM 297 C VAL A 30 11.602 15.202 10.532 1.00 12.16 C ATOM 298 O VAL A 30 11.848 15.451 9.350 1.00 11.31 O ATOM 299 CB VAL A 30 12.271 12.938 11.532 1.00 14.35 C ATOM 300 CG1 VAL A 30 11.863 12.390 10.178 1.00 16.15 C ATOM 301 CG2 VAL A 30 13.480 12.168 12.052 1.00 14.03 C ATOM 302 H VAL A 30 12.000 14.816 13.461 1.00 0.00 H ATOM 303 N ARG A 31 10.457 15.519 11.077 1.00 12.45 N ATOM 304 CA ARG A 31 9.491 16.377 10.397 1.00 12.49 C ATOM 305 C ARG A 31 8.405 16.764 11.374 1.00 13.07 C ATOM 306 O ARG A 31 8.285 16.141 12.426 1.00 11.65 O ATOM 307 CB ARG A 31 8.799 15.644 9.272 1.00 13.41 C ATOM 308 CG ARG A 31 8.010 14.400 9.701 1.00 14.26 C ATOM 309 CD ARG A 31 7.003 13.960 8.614 1.00 15.33 C ATOM 310 NE ARG A 31 6.411 12.672 9.025 1.00 16.07 N ATOM 311 CZ ARG A 31 5.399 12.551 9.879 1.00 15.41 C ATOM 312 NH1 ARG A 31 4.800 13.598 10.372 1.00 14.29 N ATOM 313 NH2 ARG A 31 4.969 11.353 10.223 1.00 17.53 N ATOM 314 HE ARG A 31 6.812 11.802 8.620 1.00 0.00 H ATOM 315 HH12 ARG A 31 4.010 13.480 11.039 1.00 0.00 H ATOM 316 HH11 ARG A 31 5.111 14.552 10.099 1.00 0.00 H ATOM 317 HH22 ARG A 31 4.178 11.257 10.891 1.00 0.00 H ATOM 318 HH21 ARG A 31 5.421 10.505 9.827 1.00 0.00 H ATOM 319 H ARG A 31 10.228 15.150 12.022 1.00 0.00 H ATOM 320 N ASP A 32 7.639 17.803 11.033 1.00 13.39 N ATOM 321 CA ASP A 32 6.569 18.239 11.879 1.00 14.44 C ATOM 322 C ASP A 32 7.045 18.276 13.338 1.00 13.31 C ATOM 323 O ASP A 32 8.016 18.983 13.653 1.00 12.38 O ATOM 324 CB ASP A 32 5.385 17.322 11.665 1.00 15.91 C ATOM 325 CG ASP A 32 4.953 17.315 10.226 1.00 17.54 C ATOM 326 OD1 ASP A 32 4.667 18.419 9.709 1.00 17.63 O ATOM 327 OD2 ASP A 32 4.953 16.268 9.578 1.00 16.39 O ATOM 328 H ASP A 32 7.822 18.303 10.140 1.00 0.00 H ATOM 329 N ARG A 33 6.434 17.512 14.214 1.00 12.17 N ATOM 330 CA ARG A 33 6.849 17.554 15.623 1.00 12.59 C ATOM 331 C ARG A 33 7.373 16.203 16.034 1.00 11.71 C ATOM 332 O ARG A 33 7.398 15.901 17.194 1.00 11.36 O ATOM 333 CB ARG A 33 5.670 17.989 16.513 1.00 14.03 C ATOM 334 CG ARG A 33 5.445 19.483 16.430 1.00 16.47 C ATOM 335 CD ARG A 33 4.049 20.016 16.830 1.00 19.12 C ATOM 336 NE ARG A 33 4.005 21.474 16.584 1.00 21.82 N ATOM 337 CZ ARG A 33 3.412 22.079 15.539 1.00 24.32 C ATOM 338 NH1 ARG A 33 2.707 21.384 14.646 1.00 25.99 N ATOM 339 NH2 ARG A 33 3.511 23.392 15.387 1.00 22.27 N ATOM 340 HE ARG A 33 4.475 22.086 17.281 1.00 0.00 H ATOM 341 HH12 ARG A 33 2.257 21.872 13.845 1.00 0.00 H ATOM 342 HH11 ARG A 33 2.607 20.354 14.750 1.00 0.00 H ATOM 343 HH22 ARG A 33 3.052 23.858 14.578 1.00 0.00 H ATOM 344 HH21 ARG A 33 4.048 23.956 16.076 1.00 0.00 H ATOM 345 H ARG A 33 5.663 16.882 13.913 1.00 0.00 H ATOM 346 N LEU A 34 7.804 15.405 15.070 1.00 10.66 N ATOM 347 CA LEU A 34 8.236 14.078 15.278 1.00 10.63 C ATOM 348 C LEU A 34 9.741 14.073 15.316 1.00 10.18 C ATOM 349 O LEU A 34 10.414 14.564 14.373 1.00 9.67 O ATOM 350 CB LEU A 34 7.786 13.222 14.072 1.00 11.76 C ATOM 351 CG LEU A 34 8.045 11.739 14.171 1.00 13.00 C ATOM 352 CD1 LEU A 34 7.228 11.122 15.301 1.00 13.81 C ATOM 353 CD2 LEU A 34 7.610 11.096 12.880 1.00 13.92 C ATOM 354 H LEU A 34 7.826 15.779 14.100 1.00 0.00 H ATOM 355 N ALA A 35 10.279 13.501 16.377 1.00 9.79 N ATOM 356 CA ALA A 35 11.730 13.320 16.532 1.00 10.19 C ATOM 357 C ALA A 35 12.063 11.896 16.913 1.00 10.00 C ATOM 358 O ALA A 35 11.172 11.133 17.258 1.00 10.16 O ATOM 359 CB ALA A 35 12.273 14.268 17.581 1.00 9.90 C ATOM 360 H ALA A 35 9.651 13.165 17.134 1.00 0.00 H ATOM 361 N VAL A 36 13.345 11.537 16.849 1.00 10.12 N ATOM 362 CA VAL A 36 13.780 10.204 17.223 1.00 10.08 C ATOM 363 C VAL A 36 14.983 10.256 18.174 1.00 11.03 C ATOM 364 O VAL A 36 15.918 11.093 18.001 1.00 12.11 O ATOM 365 CB VAL A 36 14.056 9.348 15.996 1.00 10.39 C ATOM 366 CG1 VAL A 36 15.230 9.893 15.188 1.00 10.94 C ATOM 367 CG2 VAL A 36 14.336 7.912 16.422 1.00 11.02 C ATOM 368 H VAL A 36 14.050 12.229 16.523 1.00 0.00 H ATOM 369 N LEU A 37 14.933 9.362 19.164 1.00 11.15 N ATOM 370 CA LEU A 37 15.981 9.158 20.176 1.00 11.63 C ATOM 371 C LEU A 37 16.295 7.690 20.368 1.00 11.09 C ATOM 372 O LEU A 37 15.461 6.840 20.115 1.00 11.24 O ATOM 373 CB LEU A 37 15.508 9.621 21.560 1.00 11.75 C ATOM 374 CG LEU A 37 15.424 11.119 21.809 1.00 12.05 C ATOM 375 CD1 LEU A 37 14.631 11.364 23.082 1.00 12.79 C ATOM 376 CD2 LEU A 37 16.767 11.750 21.908 1.00 11.71 C ATOM 377 H LEU A 37 14.086 8.762 19.225 1.00 0.00 H ATOM 378 N PRO A 38 17.479 7.397 20.894 1.00 11.17 N ATOM 379 CA PRO A 38 17.768 6.025 21.237 1.00 11.93 C ATOM 380 C PRO A 38 16.852 5.596 22.359 1.00 12.86 C ATOM 381 O PRO A 38 16.626 6.342 23.286 1.00 13.82 O ATOM 382 CB PRO A 38 19.195 6.060 21.766 1.00 11.43 C ATOM 383 CG PRO A 38 19.749 7.348 21.369 1.00 11.48 C ATOM 384 CD PRO A 38 18.612 8.295 21.146 1.00 11.22 C ATOM 385 N ARG A 39 16.337 4.391 22.287 1.00 14.31 N ATOM 386 CA ARG A 39 15.426 3.916 23.308 1.00 15.35 C ATOM 387 C ARG A 39 15.961 4.023 24.740 1.00 14.53 C ATOM 388 O ARG A 39 15.201 4.372 25.653 1.00 12.55 O ATOM 389 CB ARG A 39 15.013 2.474 22.984 1.00 17.18 C ATOM 390 CG ARG A 39 13.874 1.967 23.828 1.00 18.55 C ATOM 391 CD ARG A 39 13.873 0.457 23.912 1.00 20.00 C ATOM 392 NE ARG A 39 15.234 0.063 24.242 1.00 24.41 N ATOM 393 CZ ARG A 39 15.756 0.010 25.469 1.00 26.36 C ATOM 394 NH1 ARG A 39 15.029 0.336 26.534 1.00 27.16 N ATOM 395 NH2 ARG A 39 17.026 -0.386 25.630 1.00 27.81 N ATOM 396 HE ARG A 39 15.856 -0.201 23.451 1.00 0.00 H ATOM 397 HH12 ARG A 39 15.449 0.290 27.484 1.00 0.00 H ATOM 398 HH11 ARG A 39 14.040 0.637 26.416 1.00 0.00 H ATOM 399 HH22 ARG A 39 17.440 -0.430 26.583 1.00 0.00 H ATOM 400 HH21 ARG A 39 17.598 -0.649 24.802 1.00 0.00 H ATOM 401 H ARG A 39 16.585 3.771 21.489 1.00 0.00 H ATOM 402 N HIS A 40 17.251 3.731 24.949 1.00 15.00 N ATOM 403 CA HIS A 40 17.802 3.740 26.318 1.00 15.62 C ATOM 404 C HIS A 40 17.858 5.142 26.914 1.00 15.14 C ATOM 405 O HIS A 40 18.106 5.268 28.106 1.00 13.27 O ATOM 406 CB HIS A 40 19.216 3.106 26.389 1.00 17.28 C ATOM 407 CG HIS A 40 20.238 3.817 25.563 1.00 17.06 C ATOM 408 ND1 HIS A 40 20.597 3.392 24.295 1.00 18.13 N ATOM 409 CD2 HIS A 40 20.961 4.937 25.803 1.00 17.35 C ATOM 410 CE1 HIS A 40 21.497 4.220 23.791 1.00 16.93 C ATOM 411 NE2 HIS A 40 21.717 5.176 24.679 1.00 16.86 N ATOM 412 H HIS A 40 17.867 3.497 24.144 1.00 0.00 H ATOM 413 N SER A 41 17.596 6.210 26.124 1.00 14.05 N ATOM 414 CA SER A 41 17.542 7.549 26.755 1.00 13.19 C ATOM 415 C SER A 41 16.279 7.704 27.622 1.00 15.03 C ATOM 416 O SER A 41 16.227 8.581 28.475 1.00 14.75 O ATOM 417 CB SER A 41 17.600 8.671 25.756 1.00 12.73 C ATOM 418 OG SER A 41 16.431 8.678 24.969 1.00 12.10 O ATOM 419 HG SER A 41 16.354 7.817 24.487 1.00 0.00 H ATOM 420 H SER A 41 17.437 6.093 25.103 1.00 0.00 H ATOM 421 N GLN A 42 15.269 6.865 27.384 1.00 16.08 N ATOM 422 CA GLN A 42 14.032 6.801 28.195 1.00 17.45 C ATOM 423 C GLN A 42 13.344 8.121 28.413 1.00 16.89 C ATOM 424 O GLN A 42 13.152 8.550 29.521 1.00 16.01 O ATOM 425 CB GLN A 42 14.328 6.193 29.525 1.00 20.25 C ATOM 426 CG GLN A 42 15.211 4.983 29.359 1.00 24.11 C ATOM 427 CD GLN A 42 14.753 3.898 30.222 1.00 31.54 C ATOM 428 OE1 GLN A 42 13.756 3.240 29.903 1.00 40.32 O ATOM 429 NE2 GLN A 42 15.405 3.726 31.366 1.00 36.21 N ATOM 430 HE22 GLN A 42 16.239 4.309 31.582 1.00 0.00 H ATOM 431 HE21 GLN A 42 15.082 3.008 32.046 1.00 0.00 H ATOM 432 H GLN A 42 15.356 6.214 26.577 1.00 0.00 H ATOM 433 N PRO A 43 12.976 8.795 27.338 1.00 15.82 N ATOM 434 CA PRO A 43 12.394 10.105 27.576 1.00 16.14 C ATOM 435 C PRO A 43 11.137 9.939 28.405 1.00 15.80 C ATOM 436 O PRO A 43 10.439 8.969 28.206 1.00 14.75 O ATOM 437 CB PRO A 43 12.035 10.571 26.195 1.00 17.05 C ATOM 438 CG PRO A 43 11.962 9.335 25.372 1.00 17.66 C ATOM 439 CD PRO A 43 12.937 8.371 25.952 1.00 15.63 C ATOM 440 N GLY A 44 10.893 10.827 29.352 1.00 15.71 N ATOM 441 CA GLY A 44 9.664 10.743 30.193 1.00 16.18 C ATOM 442 C GLY A 44 8.582 11.613 29.617 1.00 15.08 C ATOM 443 O GLY A 44 8.356 11.596 28.427 1.00 14.22 O ATOM 444 H GLY A 44 11.571 11.599 29.514 1.00 0.00 H ATOM 445 N LYS A 45 7.933 12.412 30.449 1.00 16.84 N ATOM 446 CA LYS A 45 6.796 13.232 29.986 1.00 17.30 C ATOM 447 C LYS A 45 7.238 14.567 29.498 1.00 16.17 C ATOM 448 O LYS A 45 6.455 15.272 28.873 1.00 16.58 O ATOM 449 CB LYS A 45 5.794 13.507 31.082 1.00 21.26 C ATOM 450 CG LYS A 45 5.455 12.323 31.930 1.00 24.47 C ATOM 451 CD LYS A 45 4.615 11.265 31.270 1.00 27.28 C ATOM 452 CE LYS A 45 4.780 9.980 32.116 1.00 32.22 C ATOM 453 NZ LYS A 45 3.519 9.265 32.446 1.00 38.18 N ATOM 454 HZ1 LYS A 45 2.896 9.896 32.989 1.00 0.00 H ATOM 455 HZ2 LYS A 45 3.044 8.979 31.566 1.00 0.00 H ATOM 456 HZ3 LYS A 45 3.739 8.421 33.013 1.00 0.00 H ATOM 457 H LYS A 45 8.229 12.463 31.445 1.00 0.00 H ATOM 458 N THR A 46 8.473 14.910 29.831 1.00 14.52 N ATOM 459 CA THR A 46 9.104 16.125 29.414 1.00 14.73 C ATOM 460 C THR A 46 10.534 15.786 29.078 1.00 13.72 C ATOM 461 O THR A 46 11.035 14.755 29.528 1.00 14.34 O ATOM 462 CB THR A 46 9.131 17.189 30.525 1.00 15.61 C ATOM 463 OG1 THR A 46 9.816 16.666 31.649 1.00 14.44 O ATOM 464 CG2 THR A 46 7.713 17.556 30.938 1.00 15.53 C ATOM 465 HG1 THR A 46 10.742 16.430 31.389 1.00 0.00 H ATOM 466 H THR A 46 9.017 14.258 30.431 1.00 0.00 H ATOM 467 N ILE A 47 11.143 16.595 28.215 1.00 12.72 N ATOM 468 CA ILE A 47 12.546 16.469 27.912 1.00 12.08 C ATOM 469 C ILE A 47 13.126 17.843 27.773 1.00 12.20 C ATOM 470 O ILE A 47 12.486 18.767 27.290 1.00 11.87 O ATOM 471 CB ILE A 47 12.732 15.582 26.645 1.00 12.48 C ATOM 472 CG1 ILE A 47 14.195 15.399 26.255 1.00 12.51 C ATOM 473 CG2 ILE A 47 11.995 16.166 25.461 1.00 12.29 C ATOM 474 CD1 ILE A 47 14.396 14.409 25.136 1.00 12.41 C ATOM 475 H ILE A 47 10.590 17.340 27.745 1.00 0.00 H ATOM 476 N TRP A 48 14.373 18.004 28.203 1.00 13.24 N ATOM 477 CA TRP A 48 15.067 19.257 28.038 1.00 13.53 C ATOM 478 C TRP A 48 15.633 19.353 26.632 1.00 13.08 C ATOM 479 O TRP A 48 16.414 18.524 26.209 1.00 12.63 O ATOM 480 CB TRP A 48 16.172 19.353 29.078 1.00 14.51 C ATOM 481 CG TRP A 48 16.972 20.647 28.966 1.00 15.09 C ATOM 482 CD1 TRP A 48 18.170 20.785 28.386 1.00 15.50 C ATOM 483 CD2 TRP A 48 16.603 21.942 29.458 1.00 15.18 C ATOM 484 NE1 TRP A 48 18.584 22.086 28.478 1.00 16.11 N ATOM 485 CE2 TRP A 48 17.638 22.813 29.131 1.00 15.49 C ATOM 486 CE3 TRP A 48 15.491 22.444 30.164 1.00 15.56 C ATOM 487 CZ2 TRP A 48 17.604 24.170 29.428 1.00 16.59 C ATOM 488 CZ3 TRP A 48 15.452 23.787 30.479 1.00 15.28 C ATOM 489 CH2 TRP A 48 16.517 24.634 30.138 1.00 16.45 C ATOM 490 HE1 TRP A 48 19.481 22.460 28.107 1.00 0.00 H ATOM 491 H TRP A 48 14.858 17.210 28.668 1.00 0.00 H ATOM 492 N ILE A 49 15.240 20.359 25.884 1.00 12.71 N ATOM 493 CA ILE A 49 15.779 20.546 24.554 1.00 13.10 C ATOM 494 C ILE A 49 16.502 21.894 24.523 1.00 13.36 C ATOM 495 O ILE A 49 15.862 22.960 24.566 1.00 13.31 O ATOM 496 CB ILE A 49 14.681 20.461 23.465 1.00 13.15 C ATOM 497 CG1 ILE A 49 13.845 19.187 23.642 1.00 13.34 C ATOM 498 CG2 ILE A 49 15.278 20.549 22.065 1.00 12.96 C ATOM 499 CD1 ILE A 49 12.807 18.956 22.556 1.00 13.87 C ATOM 500 H ILE A 49 14.534 21.028 26.252 1.00 0.00 H ATOM 501 N GLU A 50 17.837 21.821 24.473 1.00 15.00 N ATOM 502 CA GLU A 50 18.769 22.978 24.455 1.00 17.66 C ATOM 503 C GLU A 50 18.634 24.060 25.531 1.00 18.30 C ATOM 504 O GLU A 50 19.528 24.236 26.305 1.00 20.85 O ATOM 505 CB GLU A 50 18.809 23.637 23.048 1.00 18.85 C ATOM 506 CG GLU A 50 19.780 22.822 22.240 1.00 20.76 C ATOM 507 CD GLU A 50 19.644 22.895 20.773 1.00 20.38 C ATOM 508 OE1 GLU A 50 18.801 23.708 20.341 1.00 26.25 O ATOM 509 OE2 GLU A 50 20.348 22.105 20.101 1.00 19.22 O ATOM 510 H GLU A 50 18.259 20.871 24.444 1.00 0.00 H ATOM 511 N HIS A 51 17.565 24.827 25.520 1.00 18.94 N ATOM 512 CA HIS A 51 17.388 25.939 26.449 1.00 20.54 C ATOM 513 C HIS A 51 16.025 25.876 27.168 1.00 20.55 C ATOM 514 O HIS A 51 15.661 26.830 27.850 1.00 22.52 O ATOM 515 CB HIS A 51 17.499 27.247 25.635 1.00 22.30 C ATOM 516 CG HIS A 51 16.440 27.381 24.568 1.00 27.00 C ATOM 517 ND1 HIS A 51 16.421 26.613 23.412 1.00 27.40 N ATOM 518 CD2 HIS A 51 15.318 28.153 24.518 1.00 31.50 C ATOM 519 CE1 HIS A 51 15.355 26.924 22.687 1.00 29.94 C ATOM 520 NE2 HIS A 51 14.669 27.859 23.334 1.00 32.18 N ATOM 521 H HIS A 51 16.818 24.634 24.823 1.00 0.00 H ATOM 522 N LYS A 52 15.287 24.776 27.030 1.00 19.71 N ATOM 523 CA LYS A 52 13.959 24.707 27.640 1.00 20.32 C ATOM 524 C LYS A 52 13.303 23.324 27.717 1.00 17.51 C ATOM 525 O LYS A 52 13.629 22.398 26.984 1.00 17.27 O ATOM 526 CB LYS A 52 13.043 25.664 26.937 1.00 22.17 C ATOM 527 CG LYS A 52 12.841 25.371 25.482 1.00 25.02 C ATOM 528 CD LYS A 52 11.342 25.614 25.186 1.00 28.08 C ATOM 529 CE LYS A 52 11.085 26.868 24.435 1.00 28.11 C ATOM 530 NZ LYS A 52 11.176 26.780 22.956 1.00 26.16 N ATOM 531 HZ1 LYS A 52 12.133 26.476 22.686 1.00 0.00 H ATOM 532 HZ2 LYS A 52 10.480 26.090 22.608 1.00 0.00 H ATOM 533 HZ3 LYS A 52 10.978 27.713 22.542 1.00 0.00 H ATOM 534 H LYS A 52 15.654 23.967 26.489 1.00 0.00 H ATOM 535 N LEU A 53 12.394 23.201 28.664 1.00 16.06 N ATOM 536 CA LEU A 53 11.724 21.961 28.920 1.00 15.03 C ATOM 537 C LEU A 53 10.549 21.832 27.985 1.00 13.55 C ATOM 538 O LEU A 53 9.760 22.724 27.917 1.00 14.92 O ATOM 539 CB LEU A 53 11.235 21.930 30.338 1.00 15.29 C ATOM 540 CG LEU A 53 10.997 20.513 30.779 1.00 17.28 C ATOM 541 CD1 LEU A 53 12.349 19.760 30.849 1.00 17.66 C ATOM 542 CD2 LEU A 53 10.279 20.508 32.129 1.00 18.48 C ATOM 543 H LEU A 53 12.156 24.031 29.244 1.00 0.00 H ATOM 544 N VAL A 54 10.456 20.752 27.250 1.00 11.90 N ATOM 545 CA VAL A 54 9.432 20.606 26.224 1.00 11.94 C ATOM 546 C VAL A 54 8.608 19.375 26.548 1.00 11.93 C ATOM 547 O VAL A 54 9.156 18.360 26.917 1.00 13.91 O ATOM 548 CB VAL A 54 10.081 20.501 24.840 1.00 12.25 C ATOM 549 CG1 VAL A 54 9.034 20.309 23.771 1.00 12.92 C ATOM 550 CG2 VAL A 54 10.899 21.760 24.532 1.00 11.78 C ATOM 551 H VAL A 54 11.132 19.977 27.403 1.00 0.00 H ATOM 552 N ASN A 55 7.297 19.456 26.491 1.00 11.46 N ATOM 553 CA ASN A 55 6.503 18.278 26.822 1.00 12.20 C ATOM 554 C ASN A 55 6.446 17.276 25.698 1.00 11.41 C ATOM 555 O ASN A 55 6.401 17.640 24.524 1.00 11.24 O ATOM 556 CB ASN A 55 5.077 18.637 27.234 1.00 13.70 C ATOM 557 CG ASN A 55 5.039 19.676 28.314 1.00 14.97 C ATOM 558 OD1 ASN A 55 5.972 19.825 29.109 1.00 15.85 O ATOM 559 ND2 ASN A 55 3.985 20.468 28.294 1.00 17.53 N ATOM 560 HD22 ASN A 55 3.223 20.303 27.605 1.00 0.00 H ATOM 561 HD21 ASN A 55 3.915 21.258 28.967 1.00 0.00 H ATOM 562 H ASN A 55 6.834 20.345 26.215 1.00 0.00 H ATOM 563 N ILE A 56 6.411 16.016 26.075 1.00 10.58 N ATOM 564 CA ILE A 56 6.299 14.924 25.136 1.00 10.32 C ATOM 565 C ILE A 56 4.863 14.449 25.065 1.00 10.75 C ATOM 566 O ILE A 56 4.304 14.121 26.068 1.00 10.51 O ATOM 567 CB ILE A 56 7.301 13.818 25.515 1.00 10.18 C ATOM 568 CG1 ILE A 56 8.729 14.330 25.235 1.00 9.79 C ATOM 569 CG2 ILE A 56 7.031 12.513 24.786 1.00 10.26 C ATOM 570 CD1 ILE A 56 9.810 13.383 25.690 1.00 9.73 C ATOM 571 H ILE A 56 6.466 15.797 27.090 1.00 0.00 H ATOM 572 N LEU A 57 4.239 14.517 23.884 1.00 12.05 N ATOM 573 CA LEU A 57 2.816 14.156 23.756 1.00 13.79 C ATOM 574 C LEU A 57 2.630 12.671 23.589 1.00 14.62 C ATOM 575 O LEU A 57 1.587 12.122 23.902 1.00 13.91 O ATOM 576 CB LEU A 57 2.139 14.914 22.635 1.00 13.33 C ATOM 577 CG LEU A 57 2.260 16.419 22.780 1.00 14.41 C ATOM 578 CD1 LEU A 57 1.706 17.117 21.541 1.00 14.73 C ATOM 579 CD2 LEU A 57 1.484 16.909 23.994 1.00 15.85 C ATOM 580 H LEU A 57 4.766 14.829 23.043 1.00 0.00 H ATOM 581 N ASP A 58 3.694 11.990 23.206 1.00 17.32 N ATOM 582 CA ASP A 58 3.595 10.587 22.807 1.00 18.48 C ATOM 583 C ASP A 58 4.995 10.010 22.507 1.00 17.54 C ATOM 584 O ASP A 58 5.864 10.712 21.990 1.00 16.54 O ATOM 585 CB ASP A 58 2.784 10.559 21.544 1.00 22.40 C ATOM 586 CG ASP A 58 2.565 9.178 21.049 1.00 27.23 C ATOM 587 OD1 ASP A 58 2.091 8.347 21.846 1.00 28.13 O ATOM 588 OD2 ASP A 58 2.901 8.916 19.856 1.00 34.63 O ATOM 589 H ASP A 58 4.621 12.461 23.188 1.00 0.00 H ATOM 590 N ALA A 59 5.227 8.771 22.899 1.00 16.29 N ATOM 591 CA ALA A 59 6.488 8.092 22.648 1.00 16.69 C ATOM 592 C ALA A 59 6.180 6.687 22.183 1.00 17.23 C ATOM 593 O ALA A 59 5.357 6.031 22.808 1.00 17.71 O ATOM 594 CB ALA A 59 7.339 8.050 23.910 1.00 16.62 C ATOM 595 H ALA A 59 4.478 8.260 23.408 1.00 0.00 H ATOM 596 N VAL A 60 6.832 6.258 21.104 1.00 16.42 N ATOM 597 CA VAL A 60 6.656 4.955 20.524 1.00 16.85 C ATOM 598 C VAL A 60 8.025 4.283 20.400 1.00 17.06 C ATOM 599 O VAL A 60 8.869 4.741 19.650 1.00 16.18 O ATOM 600 CB VAL A 60 6.004 5.085 19.142 1.00 16.13 C ATOM 601 CG1 VAL A 60 5.927 3.761 18.419 1.00 15.88 C ATOM 602 CG2 VAL A 60 4.607 5.635 19.281 1.00 16.71 C ATOM 603 H VAL A 60 7.510 6.905 20.654 1.00 0.00 H ATOM 604 N GLU A 61 8.203 3.161 21.100 1.00 19.08 N ATOM 605 CA GLU A 61 9.418 2.331 21.033 1.00 19.73 C ATOM 606 C GLU A 61 9.277 1.330 19.922 1.00 19.60 C ATOM 607 O GLU A 61 8.345 0.537 19.918 1.00 23.48 O ATOM 608 CB GLU A 61 9.613 1.616 22.342 1.00 21.77 C ATOM 609 CG GLU A 61 9.637 2.586 23.514 1.00 24.89 C ATOM 610 CD GLU A 61 10.243 2.008 24.763 1.00 27.52 C ATOM 611 OE1 GLU A 61 10.269 0.769 24.892 1.00 31.82 O ATOM 612 OE2 GLU A 61 10.712 2.789 25.615 1.00 30.53 O ATOM 613 H GLU A 61 7.436 2.854 21.732 1.00 0.00 H ATOM 614 N LEU A 62 10.166 1.362 18.958 1.00 17.22 N ATOM 615 CA LEU A 62 9.998 0.550 17.771 1.00 17.58 C ATOM 616 C LEU A 62 10.518 -0.863 17.974 1.00 16.76 C ATOM 617 O LEU A 62 11.632 -1.040 18.469 1.00 14.74 O ATOM 618 CB LEU A 62 10.772 1.177 16.602 1.00 18.71 C ATOM 619 CG LEU A 62 10.385 2.579 16.176 1.00 19.18 C ATOM 620 CD1 LEU A 62 11.297 2.994 15.029 1.00 19.71 C ATOM 621 CD2 LEU A 62 8.913 2.615 15.744 1.00 19.42 C ATOM 622 H LEU A 62 11.000 1.977 19.047 1.00 0.00 H ATOM 623 N VAL A 63 9.718 -1.855 17.580 1.00 16.35 N ATOM 624 CA VAL A 63 10.147 -3.260 17.563 1.00 15.96 C ATOM 625 C VAL A 63 9.880 -3.777 16.170 1.00 18.46 C ATOM 626 O VAL A 63 9.058 -3.245 15.418 1.00 17.20 O ATOM 627 CB VAL A 63 9.430 -4.172 18.593 1.00 15.66 C ATOM 628 CG1 VAL A 63 9.678 -3.695 20.039 1.00 15.12 C ATOM 629 CG2 VAL A 63 7.934 -4.211 18.321 1.00 15.86 C ATOM 630 H VAL A 63 8.752 -1.625 17.272 1.00 0.00 H ATOM 631 N ASP A 64 10.557 -4.855 15.822 1.00 20.30 N ATOM 632 CA ASP A 64 10.245 -5.532 14.577 1.00 20.33 C ATOM 633 C ASP A 64 9.105 -6.555 14.747 1.00 22.52 C ATOM 634 O ASP A 64 8.505 -6.676 15.803 1.00 18.31 O ATOM 635 CB ASP A 64 11.520 -6.150 13.968 1.00 20.48 C ATOM 636 CG ASP A 64 11.964 -7.416 14.652 1.00 19.28 C ATOM 637 OD1 ASP A 64 11.244 -7.962 15.487 1.00 19.11 O ATOM 638 OD2 ASP A 64 13.083 -7.862 14.346 1.00 19.46 O ATOM 639 H ASP A 64 11.312 -5.218 16.438 1.00 0.00 H ATOM 640 N GLU A 65 8.860 -7.308 13.674 1.00 25.82 N ATOM 641 CA GLU A 65 7.731 -8.219 13.572 1.00 26.89 C ATOM 642 C GLU A 65 7.910 -9.442 14.457 1.00 24.18 C ATOM 643 O GLU A 65 6.966 -10.125 14.752 1.00 23.68 O ATOM 644 CB GLU A 65 7.480 -8.608 12.101 1.00 32.87 C ATOM 645 CG GLU A 65 8.402 -9.671 11.470 1.00 39.51 C ATOM 646 CD GLU A 65 9.896 -9.269 11.254 1.00 46.21 C ATOM 647 OE1 GLU A 65 10.252 -8.075 10.979 1.00 51.96 O ATOM 648 OE2 GLU A 65 10.774 -10.182 11.316 1.00 53.71 O ATOM 649 H GLU A 65 9.512 -7.240 12.866 1.00 0.00 H ATOM 650 N GLN A 66 9.116 -9.697 14.942 1.00 23.17 N ATOM 651 CA GLN A 66 9.316 -10.782 15.901 1.00 22.46 C ATOM 652 C GLN A 66 9.238 -10.226 17.318 1.00 20.63 C ATOM 653 O GLN A 66 9.460 -10.954 18.235 1.00 24.05 O ATOM 654 CB GLN A 66 10.671 -11.460 15.693 1.00 22.95 C ATOM 655 CG GLN A 66 10.988 -11.876 14.255 1.00 24.23 C ATOM 656 CD GLN A 66 12.496 -11.845 13.906 1.00 25.62 C ATOM 657 OE1 GLN A 66 13.331 -12.560 14.480 1.00 21.84 O ATOM 658 NE2 GLN A 66 12.834 -10.975 12.918 1.00 26.83 N ATOM 659 HE22 GLN A 66 12.101 -10.394 12.463 1.00 0.00 H ATOM 660 HE21 GLN A 66 13.826 -10.890 12.617 1.00 0.00 H ATOM 661 H GLN A 66 9.927 -9.121 14.638 1.00 0.00 H ATOM 662 N GLY A 67 8.945 -8.943 17.486 1.00 19.04 N ATOM 663 CA GLY A 67 8.928 -8.302 18.788 1.00 18.01 C ATOM 664 C GLY A 67 10.322 -7.967 19.304 1.00 18.49 C ATOM 665 O GLY A 67 10.492 -7.726 20.506 1.00 20.15 O ATOM 666 H GLY A 67 8.717 -8.371 16.648 1.00 0.00 H ATOM 667 N VAL A 68 11.327 -7.865 18.427 1.00 17.53 N ATOM 668 CA VAL A 68 12.680 -7.521 18.897 1.00 16.02 C ATOM 669 C VAL A 68 12.911 -6.016 18.851 1.00 15.16 C ATOM 670 O VAL A 68 12.590 -5.339 17.858 1.00 13.29 O ATOM 671 CB VAL A 68 13.786 -8.254 18.120 1.00 16.26 C ATOM 672 CG1 VAL A 68 15.183 -7.861 18.602 1.00 16.16 C ATOM 673 CG2 VAL A 68 13.601 -9.763 18.288 1.00 16.78 C ATOM 674 H VAL A 68 11.153 -8.028 17.415 1.00 0.00 H ATOM 675 N ASN A 69 13.515 -5.537 19.936 1.00 15.30 N ATOM 676 CA ASN A 69 13.963 -4.149 20.091 1.00 16.89 C ATOM 677 C ASN A 69 14.704 -3.590 18.871 1.00 17.56 C ATOM 678 O ASN A 69 15.532 -4.255 18.274 1.00 16.62 O ATOM 679 CB ASN A 69 14.845 -4.030 21.335 1.00 16.83 C ATOM 680 CG ASN A 69 15.431 -2.646 21.513 1.00 17.30 C ATOM 681 OD1 ASN A 69 14.717 -1.665 21.514 1.00 18.04 O ATOM 682 ND2 ASN A 69 16.739 -2.565 21.712 1.00 17.02 N ATOM 683 HD22 ASN A 69 17.321 -3.427 21.704 1.00 0.00 H ATOM 684 HD21 ASN A 69 17.184 -1.639 21.876 1.00 0.00 H ATOM 685 H ASN A 69 13.680 -6.191 20.727 1.00 0.00 H ATOM 686 N LEU A 70 14.331 -2.377 18.439 1.00 17.72 N ATOM 687 CA LEU A 70 15.102 -1.688 17.415 1.00 15.71 C ATOM 688 C LEU A 70 15.927 -0.505 17.973 1.00 13.88 C ATOM 689 O LEU A 70 16.686 0.105 17.242 1.00 12.42 O ATOM 690 CB LEU A 70 14.217 -1.248 16.249 1.00 16.04 C ATOM 691 CG LEU A 70 13.475 -2.348 15.489 1.00 15.82 C ATOM 692 CD1 LEU A 70 12.494 -1.718 14.506 1.00 15.31 C ATOM 693 CD2 LEU A 70 14.504 -3.247 14.817 1.00 15.31 C ATOM 694 H LEU A 70 13.484 -1.925 18.839 1.00 0.00 H ATOM 695 N GLU A 71 15.776 -0.224 19.260 1.00 12.84 N ATOM 696 CA GLU A 71 16.555 0.785 19.980 1.00 12.10 C ATOM 697 C GLU A 71 16.258 2.202 19.569 1.00 11.97 C ATOM 698 O GLU A 71 17.097 3.094 19.757 1.00 11.29 O ATOM 699 CB GLU A 71 18.073 0.502 19.891 1.00 11.90 C ATOM 700 CG GLU A 71 18.902 1.104 21.019 1.00 11.70 C ATOM 701 CD GLU A 71 18.352 0.847 22.423 1.00 12.24 C ATOM 702 OE1 GLU A 71 17.726 -0.199 22.643 1.00 11.94 O ATOM 703 OE2 GLU A 71 18.563 1.714 23.346 1.00 12.49 O ATOM 704 H GLU A 71 15.058 -0.755 19.793 1.00 0.00 H ATOM 705 N LEU A 72 15.033 2.427 19.093 1.00 12.05 N ATOM 706 CA LEU A 72 14.586 3.738 18.636 1.00 12.73 C ATOM 707 C LEU A 72 13.250 4.068 19.241 1.00 13.47 C ATOM 708 O LEU A 72 12.325 3.268 19.154 1.00 14.43 O ATOM 709 CB LEU A 72 14.397 3.761 17.118 1.00 12.51 C ATOM 710 CG LEU A 72 15.664 3.611 16.279 1.00 13.19 C ATOM 711 CD1 LEU A 72 15.367 3.456 14.785 1.00 13.76 C ATOM 712 CD2 LEU A 72 16.612 4.783 16.498 1.00 13.48 C ATOM 713 H LEU A 72 14.365 1.631 19.045 1.00 0.00 H ATOM 714 N THR A 73 13.143 5.259 19.828 1.00 13.23 N ATOM 715 CA THR A 73 11.889 5.747 20.337 1.00 12.99 C ATOM 716 C THR A 73 11.495 6.995 19.568 1.00 13.09 C ATOM 717 O THR A 73 12.269 7.954 19.466 1.00 12.03 O ATOM 718 CB THR A 73 12.004 6.068 21.802 1.00 12.56 C ATOM 719 OG1 THR A 73 12.356 4.867 22.502 1.00 13.80 O ATOM 720 CG2 THR A 73 10.660 6.583 22.332 1.00 12.24 C ATOM 721 HG1 THR A 73 12.436 5.062 23.469 1.00 0.00 H ATOM 722 H THR A 73 13.991 5.854 19.921 1.00 0.00 H ATOM 723 N LEU A 74 10.313 6.961 18.988 1.00 13.40 N ATOM 724 CA LEU A 74 9.804 8.113 18.264 1.00 14.35 C ATOM 725 C LEU A 74 9.002 8.997 19.232 1.00 15.75 C ATOM 726 O LEU A 74 8.044 8.529 19.835 1.00 17.02 O ATOM 727 CB LEU A 74 8.870 7.661 17.181 1.00 14.55 C ATOM 728 CG LEU A 74 9.358 7.406 15.770 1.00 16.72 C ATOM 729 CD1 LEU A 74 10.732 6.755 15.713 1.00 17.72 C ATOM 730 CD2 LEU A 74 8.342 6.498 15.095 1.00 16.82 C ATOM 731 H LEU A 74 9.736 6.098 19.049 1.00 0.00 H ATOM 732 N ILE A 75 9.338 10.263 19.365 1.00 14.80 N ATOM 733 CA ILE A 75 8.543 11.116 20.210 1.00 14.16 C ATOM 734 C ILE A 75 7.872 12.231 19.427 1.00 13.81 C ATOM 735 O ILE A 75 8.457 12.804 18.491 1.00 13.79 O ATOM 736 CB ILE A 75 9.374 11.662 21.386 1.00 15.19 C ATOM 737 CG1 ILE A 75 10.528 12.539 20.893 1.00 15.91 C ATOM 738 CG2 ILE A 75 9.905 10.509 22.239 1.00 14.88 C ATOM 739 CD1 ILE A 75 11.394 13.144 22.007 1.00 16.59 C ATOM 740 H ILE A 75 10.168 10.642 18.866 1.00 0.00 H ATOM 741 N THR A 76 6.650 12.560 19.828 1.00 12.09 N ATOM 742 CA THR A 76 5.915 13.671 19.304 1.00 11.58 C ATOM 743 C THR A 76 5.970 14.757 20.360 1.00 11.43 C ATOM 744 O THR A 76 5.626 14.544 21.503 1.00 11.40 O ATOM 745 CB THR A 76 4.461 13.235 19.047 1.00 11.64 C ATOM 746 OG1 THR A 76 4.459 12.153 18.137 1.00 11.74 O ATOM 747 CG2 THR A 76 3.635 14.351 18.482 1.00 11.45 C ATOM 748 HG1 THR A 76 3.526 11.868 17.967 1.00 0.00 H ATOM 749 H THR A 76 6.202 11.978 20.564 1.00 0.00 H ATOM 750 N LEU A 77 6.432 15.933 19.984 1.00 12.42 N ATOM 751 CA LEU A 77 6.709 17.020 20.923 1.00 13.30 C ATOM 752 C LEU A 77 5.681 18.118 20.860 1.00 14.04 C ATOM 753 O LEU A 77 5.066 18.362 19.793 1.00 14.34 O ATOM 754 CB LEU A 77 8.018 17.703 20.563 1.00 13.94 C ATOM 755 CG LEU A 77 9.247 16.831 20.586 1.00 14.48 C ATOM 756 CD1 LEU A 77 10.389 17.563 19.936 1.00 14.26 C ATOM 757 CD2 LEU A 77 9.594 16.490 22.026 1.00 15.19 C ATOM 758 H LEU A 77 6.608 16.096 18.972 1.00 0.00 H ATOM 759 N ASP A 78 5.499 18.802 21.999 1.00 15.36 N ATOM 760 CA ASP A 78 4.610 19.957 22.099 1.00 15.39 C ATOM 761 C ASP A 78 5.427 21.186 21.871 1.00 15.43 C ATOM 762 O ASP A 78 5.784 21.883 22.788 1.00 14.41 O ATOM 763 CB ASP A 78 3.877 19.983 23.462 1.00 16.29 C ATOM 764 CG ASP A 78 3.015 21.224 23.633 1.00 16.48 C ATOM 765 OD1 ASP A 78 2.558 21.837 22.645 1.00 16.32 O ATOM 766 OD2 ASP A 78 2.819 21.615 24.781 1.00 18.58 O ATOM 767 H ASP A 78 6.014 18.497 22.849 1.00 0.00 H ATOM 768 N THR A 79 5.728 21.435 20.615 1.00 18.56 N ATOM 769 CA THR A 79 6.553 22.588 20.225 1.00 21.75 C ATOM 770 C THR A 79 5.831 23.456 19.287 1.00 22.50 C ATOM 771 O THR A 79 4.947 23.012 18.554 1.00 25.57 O ATOM 772 CB THR A 79 7.843 22.236 19.494 1.00 21.89 C ATOM 773 OG1 THR A 79 7.650 21.086 18.664 1.00 21.71 O ATOM 774 CG2 THR A 79 8.849 21.988 20.453 1.00 22.90 C ATOM 775 HG1 THR A 79 8.496 20.872 18.197 1.00 0.00 H ATOM 776 H THR A 79 5.372 20.797 19.875 1.00 0.00 H ATOM 777 N ASN A 80 6.284 24.693 19.270 1.00 25.76 N ATOM 778 CA ASN A 80 5.722 25.673 18.394 1.00 29.60 C ATOM 779 C ASN A 80 6.176 25.333 16.980 1.00 30.27 C ATOM 780 O ASN A 80 5.361 25.204 16.094 1.00 36.33 O ATOM 781 CB ASN A 80 6.194 27.066 18.849 1.00 29.82 C ATOM 782 CG ASN A 80 6.098 27.265 20.387 1.00 33.82 C ATOM 783 OD1 ASN A 80 6.982 27.853 21.027 1.00 32.62 O ATOM 784 ND2 ASN A 80 5.029 26.765 20.974 1.00 34.72 N ATOM 785 HD22 ASN A 80 4.305 26.277 20.408 1.00 0.00 H ATOM 786 HD21 ASN A 80 4.909 26.858 22.003 1.00 0.00 H ATOM 787 H ASN A 80 7.063 24.961 19.904 1.00 0.00 H ATOM 788 N GLU A 81 7.466 25.094 16.816 1.00 35.59 N ATOM 789 CA GLU A 81 8.109 24.803 15.499 1.00 41.35 C ATOM 790 C GLU A 81 7.729 23.435 14.862 1.00 33.28 C ATOM 791 O GLU A 81 7.590 22.427 15.544 1.00 35.35 O ATOM 792 CB GLU A 81 9.694 24.804 15.635 1.00 47.51 C ATOM 793 CG GLU A 81 10.359 23.450 16.026 1.00 51.87 C ATOM 794 CD GLU A 81 11.872 23.284 15.723 1.00 55.05 C ATOM 795 OE1 GLU A 81 12.192 23.290 14.495 1.00 50.49 O ATOM 796 OE2 GLU A 81 12.721 23.070 16.668 1.00 55.68 O ATOM 797 H GLU A 81 8.074 25.110 17.660 1.00 0.00 H ATOM 798 N LYS A 82 7.592 23.403 13.547 1.00 26.69 N ATOM 799 CA LYS A 82 7.712 22.162 12.804 1.00 23.15 C ATOM 800 C LYS A 82 9.194 21.974 12.468 1.00 17.76 C ATOM 801 O LYS A 82 9.849 22.911 12.124 1.00 15.73 O ATOM 802 CB LYS A 82 6.833 22.222 11.539 1.00 28.55 C ATOM 803 CG LYS A 82 5.375 21.823 11.809 1.00 32.50 C ATOM 804 CD LYS A 82 4.584 21.592 10.527 1.00 37.01 C ATOM 805 CE LYS A 82 3.187 21.039 10.865 1.00 43.09 C ATOM 806 NZ LYS A 82 2.187 22.075 11.249 1.00 47.10 N ATOM 807 HZ1 LYS A 82 2.523 22.584 12.092 1.00 0.00 H ATOM 808 HZ2 LYS A 82 2.065 22.745 10.463 1.00 0.00 H ATOM 809 HZ3 LYS A 82 1.278 21.616 11.459 1.00 0.00 H ATOM 810 H LYS A 82 7.394 24.286 13.034 1.00 0.00 H ATOM 811 N PHE A 83 9.730 20.771 12.603 1.00 14.36 N ATOM 812 CA PHE A 83 11.062 20.487 12.105 1.00 13.49 C ATOM 813 C PHE A 83 11.054 20.593 10.585 1.00 13.26 C ATOM 814 O PHE A 83 10.102 20.159 9.954 1.00 13.64 O ATOM 815 CB PHE A 83 11.547 19.071 12.494 1.00 12.79 C ATOM 816 CG PHE A 83 11.788 18.903 13.952 1.00 11.89 C ATOM 817 CD1 PHE A 83 12.804 19.600 14.584 1.00 11.61 C ATOM 818 CD2 PHE A 83 11.031 18.032 14.685 1.00 11.40 C ATOM 819 CE1 PHE A 83 13.015 19.452 15.955 1.00 10.81 C ATOM 820 CE2 PHE A 83 11.241 17.882 16.039 1.00 11.24 C ATOM 821 CZ PHE A 83 12.245 18.581 16.660 1.00 10.59 C ATOM 822 H PHE A 83 9.188 20.018 13.073 1.00 0.00 H ATOM 823 N ARG A 84 12.149 21.089 10.017 1.00 13.33 N ATOM 824 CA ARG A 84 12.437 20.868 8.615 1.00 14.80 C ATOM 825 C ARG A 84 12.331 19.366 8.244 1.00 15.09 C ATOM 826 O ARG A 84 13.009 18.553 8.813 1.00 13.98 O ATOM 827 CB ARG A 84 13.827 21.313 8.212 1.00 15.75 C ATOM 828 CG ARG A 84 14.042 21.044 6.706 1.00 17.95 C ATOM 829 CD ARG A 84 15.441 20.952 6.174 1.00 18.99 C ATOM 830 NE ARG A 84 16.489 20.554 7.091 1.00 21.26 N ATOM 831 CZ ARG A 84 17.774 20.532 6.744 1.00 24.29 C ATOM 832 NH1 ARG A 84 18.115 20.819 5.514 1.00 24.21 N ATOM 833 NH2 ARG A 84 18.712 20.184 7.608 1.00 27.00 N ATOM 834 HE ARG A 84 16.228 20.275 8.058 1.00 0.00 H ATOM 835 HH12 ARG A 84 19.117 20.804 5.235 1.00 0.00 H ATOM 836 HH11 ARG A 84 17.384 21.062 4.815 1.00 0.00 H ATOM 837 HH22 ARG A 84 19.710 20.174 7.316 1.00 0.00 H ATOM 838 HH21 ARG A 84 18.452 19.921 8.580 1.00 0.00 H ATOM 839 H ARG A 84 12.812 21.647 10.591 1.00 0.00 H ATOM 840 N ASP A 85 11.520 19.038 7.235 1.00 15.00 N ATOM 841 CA ASP A 85 11.225 17.652 6.903 1.00 15.47 C ATOM 842 C ASP A 85 12.400 17.056 6.173 1.00 15.66 C ATOM 843 O ASP A 85 12.679 17.408 5.056 1.00 14.76 O ATOM 844 CB ASP A 85 9.932 17.570 6.037 1.00 15.78 C ATOM 845 CG ASP A 85 9.564 16.156 5.671 1.00 16.25 C ATOM 846 OD1 ASP A 85 10.372 15.220 5.829 1.00 16.54 O ATOM 847 OD2 ASP A 85 8.432 15.977 5.232 1.00 17.14 O ATOM 848 H ASP A 85 11.086 19.796 6.670 1.00 0.00 H ATOM 849 N ILE A 86 13.094 16.122 6.810 1.00 16.71 N ATOM 850 CA ILE A 86 14.269 15.510 6.208 1.00 15.32 C ATOM 851 C ILE A 86 14.013 14.026 5.854 1.00 14.25 C ATOM 852 O ILE A 86 14.967 13.289 5.564 1.00 11.93 O ATOM 853 CB ILE A 86 15.468 15.584 7.152 1.00 16.54 C ATOM 854 CG1 ILE A 86 15.095 14.928 8.494 1.00 16.19 C ATOM 855 CG2 ILE A 86 15.931 17.028 7.283 1.00 16.61 C ATOM 856 CD1 ILE A 86 16.309 14.654 9.338 1.00 17.39 C ATOM 857 H ILE A 86 12.792 15.821 7.759 1.00 0.00 H ATOM 858 N THR A 87 12.736 13.616 5.823 1.00 12.98 N ATOM 859 CA THR A 87 12.429 12.230 5.518 1.00 12.48 C ATOM 860 C THR A 87 12.995 11.800 4.158 1.00 13.35 C ATOM 861 O THR A 87 13.323 10.628 3.937 1.00 12.54 O ATOM 862 CB THR A 87 10.922 11.915 5.609 1.00 12.16 C ATOM 863 OG1 THR A 87 10.158 12.907 4.945 1.00 12.06 O ATOM 864 CG2 THR A 87 10.472 11.878 7.019 1.00 13.23 C ATOM 865 HG1 THR A 87 10.326 13.787 5.365 1.00 0.00 H ATOM 866 H THR A 87 11.968 14.289 6.017 1.00 0.00 H ATOM 867 N LYS A 88 13.059 12.731 3.217 1.00 15.13 N ATOM 868 CA LYS A 88 13.523 12.378 1.871 1.00 17.12 C ATOM 869 C LYS A 88 15.026 12.010 1.867 1.00 15.57 C ATOM 870 O LYS A 88 15.482 11.380 0.936 1.00 14.69 O ATOM 871 CB LYS A 88 13.216 13.507 0.875 1.00 18.20 C ATOM 872 CG LYS A 88 14.174 14.676 0.992 1.00 21.13 C ATOM 873 CD LYS A 88 13.716 15.841 0.126 1.00 22.73 C ATOM 874 CE LYS A 88 14.560 17.066 0.426 1.00 24.51 C ATOM 875 NZ LYS A 88 13.600 18.152 0.576 1.00 27.33 N ATOM 876 HZ1 LYS A 88 13.061 18.261 -0.307 1.00 0.00 H ATOM 877 HZ2 LYS A 88 12.948 17.932 1.356 1.00 0.00 H ATOM 878 HZ3 LYS A 88 14.108 19.035 0.785 1.00 0.00 H ATOM 879 H LYS A 88 12.781 13.710 3.432 1.00 0.00 H ATOM 880 N PHE A 89 15.768 12.423 2.905 1.00 14.29 N ATOM 881 CA PHE A 89 17.194 12.070 3.011 1.00 15.28 C ATOM 882 C PHE A 89 17.401 10.744 3.703 1.00 14.48 C ATOM 883 O PHE A 89 18.521 10.223 3.735 1.00 14.89 O ATOM 884 CB PHE A 89 18.014 13.110 3.766 1.00 15.52 C ATOM 885 CG PHE A 89 17.897 14.512 3.231 1.00 17.78 C ATOM 886 CD1 PHE A 89 18.253 14.811 1.914 1.00 18.46 C ATOM 887 CD2 PHE A 89 17.497 15.538 4.046 1.00 17.59 C ATOM 888 CE1 PHE A 89 18.147 16.111 1.436 1.00 17.73 C ATOM 889 CE2 PHE A 89 17.403 16.834 3.569 1.00 18.24 C ATOM 890 CZ PHE A 89 17.735 17.119 2.268 1.00 17.22 C ATOM 891 H PHE A 89 15.329 13.003 3.648 1.00 0.00 H ATOM 892 N ILE A 90 16.340 10.198 4.264 1.00 14.17 N ATOM 893 CA ILE A 90 16.401 8.932 4.916 1.00 13.43 C ATOM 894 C ILE A 90 16.033 7.893 3.876 1.00 15.29 C ATOM 895 O ILE A 90 14.938 7.924 3.299 1.00 16.06 O ATOM 896 CB ILE A 90 15.402 8.854 6.068 1.00 13.11 C ATOM 897 CG1 ILE A 90 15.676 9.974 7.074 1.00 13.26 C ATOM 898 CG2 ILE A 90 15.490 7.497 6.752 1.00 12.70 C ATOM 899 CD1 ILE A 90 14.762 9.995 8.288 1.00 12.97 C ATOM 900 H ILE A 90 15.433 10.705 4.230 1.00 0.00 H ATOM 901 N PRO A 91 16.900 6.905 3.676 1.00 16.08 N ATOM 902 CA PRO A 91 16.615 5.903 2.640 1.00 17.73 C ATOM 903 C PRO A 91 15.442 5.000 2.997 1.00 20.57 C ATOM 904 O PRO A 91 15.076 4.852 4.191 1.00 19.00 O ATOM 905 CB PRO A 91 17.913 5.088 2.582 1.00 17.27 C ATOM 906 CG PRO A 91 18.432 5.160 3.948 1.00 16.87 C ATOM 907 CD PRO A 91 18.087 6.548 4.460 1.00 16.23 C ATOM 908 N GLU A 92 14.824 4.454 1.961 1.00 22.35 N ATOM 909 CA GLU A 92 13.654 3.610 2.128 1.00 26.98 C ATOM 910 C GLU A 92 13.966 2.296 2.829 1.00 25.99 C ATOM 911 O GLU A 92 13.096 1.670 3.414 1.00 25.64 O ATOM 912 CB GLU A 92 13.023 3.302 0.780 1.00 32.61 C ATOM 913 CG GLU A 92 12.579 4.533 0.034 1.00 40.17 C ATOM 914 CD GLU A 92 11.204 4.362 -0.564 1.00 46.71 C ATOM 915 OE1 GLU A 92 10.225 4.391 0.215 1.00 54.46 O ATOM 916 OE2 GLU A 92 11.109 4.231 -1.804 1.00 52.30 O ATOM 917 H GLU A 92 15.186 4.634 1.003 1.00 0.00 H ATOM 918 N ASN A 93 15.197 1.835 2.709 1.00 25.73 N ATOM 919 CA ASN A 93 15.598 0.641 3.401 1.00 27.37 C ATOM 920 C ASN A 93 16.895 0.918 4.026 1.00 27.81 C ATOM 921 O ASN A 93 17.623 1.819 3.604 1.00 25.50 O ATOM 922 CB ASN A 93 15.757 -0.541 2.451 1.00 29.67 C ATOM 923 CG ASN A 93 14.438 -0.974 1.852 1.00 32.77 C ATOM 924 OD1 ASN A 93 14.153 -0.697 0.668 1.00 41.09 O ATOM 925 ND2 ASN A 93 13.623 -1.677 2.643 1.00 36.39 N ATOM 926 HD22 ASN A 93 13.901 -1.885 3.623 1.00 0.00 H ATOM 927 HD21 ASN A 93 12.710 -2.017 2.279 1.00 0.00 H ATOM 928 H ASN A 93 15.881 2.339 2.110 1.00 0.00 H ATOM 929 N ILE A 94 17.203 0.093 5.009 1.00 27.50 N ATOM 930 CA ILE A 94 18.411 0.259 5.747 1.00 27.80 C ATOM 931 C ILE A 94 19.639 0.129 4.833 1.00 30.84 C ATOM 932 O ILE A 94 19.890 -0.932 4.264 1.00 31.31 O ATOM 933 CB ILE A 94 18.378 -0.659 6.979 1.00 26.70 C ATOM 934 CG1 ILE A 94 17.410 -0.019 7.979 1.00 24.15 C ATOM 935 CG2 ILE A 94 19.756 -0.806 7.594 1.00 27.77 C ATOM 936 CD1 ILE A 94 17.135 -0.860 9.170 1.00 24.18 C ATOM 937 H ILE A 94 16.557 -0.687 5.248 1.00 0.00 H ATOM 938 N SER A 95 20.367 1.249 4.700 1.00 30.11 N ATOM 939 CA SER A 95 21.402 1.380 3.722 1.00 31.86 C ATOM 940 C SER A 95 22.790 1.564 4.318 1.00 31.77 C ATOM 941 O SER A 95 22.979 2.368 5.264 1.00 35.09 O ATOM 942 CB SER A 95 21.121 2.571 2.820 1.00 32.98 C ATOM 943 OG SER A 95 19.927 2.348 2.116 1.00 36.19 O ATOM 944 HG SER A 95 19.182 2.235 2.759 1.00 0.00 H ATOM 945 H SER A 95 20.171 2.051 5.332 1.00 0.00 H ATOM 946 N THR A 96 23.740 0.819 3.740 1.00 25.08 N ATOM 947 CA THR A 96 25.156 0.976 4.019 1.00 24.63 C ATOM 948 C THR A 96 25.662 2.263 3.421 1.00 23.05 C ATOM 949 O THR A 96 24.928 2.982 2.763 1.00 27.83 O ATOM 950 CB THR A 96 25.972 -0.169 3.417 1.00 23.77 C ATOM 951 OG1 THR A 96 25.900 -0.140 1.984 1.00 22.03 O ATOM 952 CG2 THR A 96 25.460 -1.464 3.922 1.00 25.68 C ATOM 953 HG1 THR A 96 26.261 0.721 1.654 1.00 0.00 H ATOM 954 H THR A 96 23.449 0.091 3.057 1.00 0.00 H ATOM 955 N ALA A 97 26.903 2.591 3.687 1.00 23.77 N ATOM 956 CA ALA A 97 27.494 3.810 3.120 1.00 24.16 C ATOM 957 C ALA A 97 28.978 3.745 3.221 1.00 23.17 C ATOM 958 O ALA A 97 29.528 3.085 4.096 1.00 24.83 O ATOM 959 CB ALA A 97 26.981 5.068 3.854 1.00 24.76 C ATOM 960 H ALA A 97 27.475 1.982 4.306 1.00 0.00 H ATOM 961 N SER A 98 29.630 4.557 2.414 1.00 22.93 N ATOM 962 CA SER A 98 31.055 4.651 2.460 1.00 23.84 C ATOM 963 C SER A 98 31.419 5.950 3.105 1.00 22.67 C ATOM 964 O SER A 98 30.777 6.933 2.869 1.00 22.00 O ATOM 965 CB SER A 98 31.619 4.629 1.048 1.00 24.20 C ATOM 966 OG SER A 98 31.432 3.343 0.515 1.00 27.00 O ATOM 967 HG SER A 98 31.795 3.313 -0.406 1.00 0.00 H ATOM 968 H SER A 98 29.100 5.138 1.734 1.00 0.00 H ATOM 969 N ASP A 99 32.441 5.941 3.942 1.00 22.73 N ATOM 970 CA ASP A 99 32.929 7.171 4.461 1.00 23.90 C ATOM 971 C ASP A 99 31.856 8.084 5.078 1.00 20.93 C ATOM 972 O ASP A 99 31.796 9.276 4.782 1.00 19.50 O ATOM 973 CB ASP A 99 33.603 7.892 3.324 1.00 29.44 C ATOM 974 CG ASP A 99 35.038 7.830 3.455 1.00 33.38 C ATOM 975 OD1 ASP A 99 35.529 6.693 3.524 1.00 30.66 O ATOM 976 OD2 ASP A 99 35.632 8.930 3.593 1.00 45.54 O ATOM 977 H ASP A 99 32.885 5.042 4.219 1.00 0.00 H ATOM 978 N ALA A 100 31.081 7.501 5.979 1.00 17.53 N ATOM 979 CA ALA A 100 30.131 8.244 6.787 1.00 16.87 C ATOM 980 C ALA A 100 30.767 9.102 7.845 1.00 14.91 C ATOM 981 O ALA A 100 31.880 8.866 8.296 1.00 15.91 O ATOM 982 CB ALA A 100 29.163 7.304 7.468 1.00 15.89 C ATOM 983 H ALA A 100 31.155 6.472 6.113 1.00 0.00 H ATOM 984 N THR A 101 30.022 10.120 8.252 1.00 13.45 N ATOM 985 CA THR A 101 30.388 10.923 9.376 1.00 12.78 C ATOM 986 C THR A 101 29.327 10.717 10.442 1.00 12.11 C ATOM 987 O THR A 101 28.150 10.784 10.144 1.00 13.81 O ATOM 988 CB THR A 101 30.438 12.406 8.973 1.00 12.75 C ATOM 989 OG1 THR A 101 31.384 12.601 7.913 1.00 12.71 O ATOM 990 CG2 THR A 101 30.862 13.278 10.141 1.00 12.70 C ATOM 991 HG1 THR A 101 32.282 12.317 8.218 1.00 0.00 H ATOM 992 H THR A 101 29.145 10.341 7.738 1.00 0.00 H ATOM 993 N LEU A 102 29.756 10.628 11.681 1.00 11.42 N ATOM 994 CA LEU A 102 28.869 10.698 12.813 1.00 11.38 C ATOM 995 C LEU A 102 28.795 12.116 13.371 1.00 11.16 C ATOM 996 O LEU A 102 29.818 12.702 13.766 1.00 11.27 O ATOM 997 CB LEU A 102 29.359 9.755 13.893 1.00 11.55 C ATOM 998 CG LEU A 102 28.537 9.588 15.156 1.00 12.03 C ATOM 999 CD1 LEU A 102 27.106 9.121 14.865 1.00 12.45 C ATOM 1000 CD2 LEU A 102 29.266 8.595 16.023 1.00 11.67 C ATOM 1001 H LEU A 102 30.774 10.502 11.850 1.00 0.00 H ATOM 1002 N VAL A 103 27.561 12.655 13.416 1.00 11.07 N ATOM 1003 CA VAL A 103 27.305 14.028 13.869 1.00 11.39 C ATOM 1004 C VAL A 103 26.605 14.036 15.200 1.00 10.97 C ATOM 1005 O VAL A 103 25.467 13.584 15.350 1.00 10.62 O ATOM 1006 CB VAL A 103 26.438 14.757 12.861 1.00 12.71 C ATOM 1007 CG1 VAL A 103 26.108 16.167 13.325 1.00 13.46 C ATOM 1008 CG2 VAL A 103 27.180 14.792 11.538 1.00 12.74 C ATOM 1009 H VAL A 103 26.753 12.072 13.116 1.00 0.00 H ATOM 1010 N ILE A 104 27.313 14.570 16.176 1.00 10.88 N ATOM 1011 CA ILE A 104 26.879 14.577 17.548 1.00 11.03 C ATOM 1012 C ILE A 104 26.619 16.014 17.983 1.00 11.23 C ATOM 1013 O ILE A 104 27.326 16.913 17.575 1.00 10.70 O ATOM 1014 CB ILE A 104 27.956 13.947 18.410 1.00 11.20 C ATOM 1015 CG1 ILE A 104 28.045 12.417 18.110 1.00 11.02 C ATOM 1016 CG2 ILE A 104 27.706 14.165 19.909 1.00 11.11 C ATOM 1017 CD1 ILE A 104 29.461 11.952 18.105 1.00 11.01 C ATOM 1018 H ILE A 104 28.228 15.007 15.943 1.00 0.00 H ATOM 1019 N ASN A 105 25.590 16.194 18.829 1.00 11.68 N ATOM 1020 CA ASN A 105 25.251 17.507 19.331 1.00 11.66 C ATOM 1021 C ASN A 105 24.586 17.447 20.668 1.00 13.26 C ATOM 1022 O ASN A 105 23.360 17.235 20.811 1.00 13.02 O ATOM 1023 CB ASN A 105 24.420 18.253 18.302 1.00 11.53 C ATOM 1024 CG ASN A 105 24.368 19.723 18.564 1.00 11.53 C ATOM 1025 OD1 ASN A 105 25.262 20.297 19.161 1.00 12.20 O ATOM 1026 ND2 ASN A 105 23.270 20.336 18.187 1.00 12.30 N ATOM 1027 HD22 ASN A 105 22.530 19.811 17.679 1.00 0.00 H ATOM 1028 HD21 ASN A 105 23.141 21.346 18.396 1.00 0.00 H ATOM 1029 H ASN A 105 25.027 15.373 19.128 1.00 0.00 H ATOM 1030 N THR A 106 25.432 17.649 21.671 1.00 13.68 N ATOM 1031 CA THR A 106 25.087 17.487 23.076 1.00 14.12 C ATOM 1032 C THR A 106 25.701 18.721 23.725 1.00 15.19 C ATOM 1033 O THR A 106 26.629 19.353 23.166 1.00 12.71 O ATOM 1034 CB THR A 106 25.766 16.188 23.522 1.00 14.32 C ATOM 1035 OG1 THR A 106 24.855 15.052 23.462 1.00 16.21 O ATOM 1036 CG2 THR A 106 26.449 16.290 24.728 1.00 12.84 C ATOM 1037 HG1 THR A 106 25.329 14.234 23.757 1.00 0.00 H ATOM 1038 H THR A 106 26.403 17.941 21.438 1.00 0.00 H ATOM 1039 N GLU A 107 25.180 19.087 24.898 1.00 16.61 N ATOM 1040 CA GLU A 107 25.807 20.153 25.678 1.00 18.40 C ATOM 1041 C GLU A 107 27.286 19.872 25.928 1.00 15.81 C ATOM 1042 O GLU A 107 28.079 20.782 25.895 1.00 13.56 O ATOM 1043 CB GLU A 107 25.078 20.324 26.997 1.00 22.78 C ATOM 1044 CG GLU A 107 25.566 21.480 27.859 1.00 28.95 C ATOM 1045 CD GLU A 107 24.858 21.479 29.202 1.00 34.19 C ATOM 1046 OE1 GLU A 107 23.618 21.571 29.239 1.00 37.52 O ATOM 1047 OE2 GLU A 107 25.542 21.238 30.215 1.00 47.89 O ATOM 1048 H GLU A 107 24.327 18.613 25.258 1.00 0.00 H ATOM 1049 N HIS A 108 27.632 18.638 26.254 1.00 14.95 N ATOM 1050 CA HIS A 108 29.034 18.276 26.456 1.00 16.41 C ATOM 1051 C HIS A 108 29.827 18.112 25.166 1.00 14.73 C ATOM 1052 O HIS A 108 31.032 18.336 25.169 1.00 16.02 O ATOM 1053 CB HIS A 108 29.171 16.988 27.268 1.00 17.56 C ATOM 1054 CG HIS A 108 28.553 17.059 28.632 1.00 20.17 C ATOM 1055 ND1 HIS A 108 28.440 18.234 29.352 1.00 20.98 N ATOM 1056 CD2 HIS A 108 28.005 16.089 29.405 1.00 21.43 C ATOM 1057 CE1 HIS A 108 27.862 17.986 30.512 1.00 21.71 C ATOM 1058 NE2 HIS A 108 27.589 16.695 30.567 1.00 23.65 N ATOM 1059 H HIS A 108 26.895 17.913 26.369 1.00 0.00 H ATOM 1060 N MET A 109 29.180 17.696 24.087 1.00 13.28 N ATOM 1061 CA MET A 109 29.838 17.481 22.811 1.00 13.82 C ATOM 1062 C MET A 109 29.083 18.222 21.704 1.00 12.45 C ATOM 1063 O MET A 109 28.351 17.647 20.940 1.00 11.59 O ATOM 1064 CB MET A 109 29.942 15.981 22.521 1.00 16.24 C ATOM 1065 CG MET A 109 31.029 15.253 23.321 1.00 19.46 C ATOM 1066 SD MET A 109 31.071 13.426 23.060 1.00 23.33 S ATOM 1067 CE MET A 109 30.153 12.872 24.418 1.00 26.08 C ATOM 1068 H MET A 109 28.158 17.516 24.157 1.00 0.00 H ATOM 1069 N PRO A 110 29.226 19.525 21.659 1.00 12.25 N ATOM 1070 CA PRO A 110 28.459 20.292 20.699 1.00 11.83 C ATOM 1071 C PRO A 110 29.099 20.317 19.322 1.00 11.42 C ATOM 1072 O PRO A 110 30.309 20.401 19.206 1.00 10.63 O ATOM 1073 CB PRO A 110 28.423 21.690 21.306 1.00 12.12 C ATOM 1074 CG PRO A 110 29.655 21.769 22.177 1.00 12.92 C ATOM 1075 CD PRO A 110 29.926 20.364 22.647 1.00 12.49 C ATOM 1076 N SER A 111 28.243 20.263 18.315 1.00 11.35 N ATOM 1077 CA SER A 111 28.633 20.167 16.889 1.00 11.89 C ATOM 1078 C SER A 111 29.889 19.374 16.625 1.00 11.01 C ATOM 1079 O SER A 111 30.874 19.866 16.075 1.00 10.55 O ATOM 1080 CB SER A 111 28.799 21.551 16.322 1.00 12.18 C ATOM 1081 OG SER A 111 27.747 22.328 16.771 1.00 12.97 O ATOM 1082 HG SER A 111 27.837 23.245 16.409 1.00 0.00 H ATOM 1083 H SER A 111 27.228 20.290 18.539 1.00 0.00 H ATOM 1084 N MET A 112 29.822 18.125 16.995 1.00 11.24 N ATOM 1085 CA MET A 112 30.980 17.268 17.009 1.00 11.38 C ATOM 1086 C MET A 112 30.965 16.309 15.858 1.00 11.43 C ATOM 1087 O MET A 112 29.952 15.664 15.597 1.00 11.93 O ATOM 1088 CB MET A 112 31.046 16.506 18.340 1.00 10.88 C ATOM 1089 CG MET A 112 32.263 15.630 18.437 1.00 10.47 C ATOM 1090 SD MET A 112 32.241 14.556 19.833 1.00 11.42 S ATOM 1091 CE MET A 112 33.916 13.836 19.783 1.00 12.32 C ATOM 1092 H MET A 112 28.904 17.736 17.289 1.00 0.00 H ATOM 1093 N PHE A 113 32.085 16.250 15.139 1.00 11.62 N ATOM 1094 CA PHE A 113 32.188 15.457 13.892 1.00 11.62 C ATOM 1095 C PHE A 113 33.151 14.287 14.060 1.00 11.62 C ATOM 1096 O PHE A 113 34.311 14.463 14.403 1.00 10.82 O ATOM 1097 CB PHE A 113 32.717 16.296 12.748 1.00 12.15 C ATOM 1098 CG PHE A 113 31.754 17.291 12.275 1.00 12.23 C ATOM 1099 CD1 PHE A 113 31.358 18.333 13.090 1.00 12.75 C ATOM 1100 CD2 PHE A 113 31.210 17.157 11.027 1.00 12.11 C ATOM 1101 CE1 PHE A 113 30.383 19.232 12.663 1.00 12.43 C ATOM 1102 CE2 PHE A 113 30.247 18.033 10.601 1.00 12.53 C ATOM 1103 CZ PHE A 113 29.845 19.079 11.412 1.00 12.85 C ATOM 1104 H PHE A 113 32.918 16.780 15.465 1.00 0.00 H ATOM 1105 N VAL A 114 32.653 13.096 13.809 1.00 12.49 N ATOM 1106 CA VAL A 114 33.459 11.859 14.028 1.00 12.62 C ATOM 1107 C VAL A 114 33.518 11.010 12.774 1.00 12.87 C ATOM 1108 O VAL A 114 32.467 10.678 12.199 1.00 12.04 O ATOM 1109 CB VAL A 114 32.847 11.101 15.180 1.00 13.07 C ATOM 1110 CG1 VAL A 114 33.602 9.826 15.474 1.00 14.17 C ATOM 1111 CG2 VAL A 114 32.832 11.980 16.398 1.00 13.07 C ATOM 1112 H VAL A 114 31.680 13.015 13.451 1.00 0.00 H ATOM 1113 N PRO A 115 34.748 10.733 12.275 1.00 12.98 N ATOM 1114 CA PRO A 115 34.942 10.124 10.981 1.00 13.30 C ATOM 1115 C PRO A 115 34.831 8.620 11.038 1.00 14.06 C ATOM 1116 O PRO A 115 35.834 7.931 11.004 1.00 14.62 O ATOM 1117 CB PRO A 115 36.375 10.569 10.599 1.00 13.39 C ATOM 1118 CG PRO A 115 37.059 10.749 11.898 1.00 13.84 C ATOM 1119 CD PRO A 115 36.019 11.008 12.951 1.00 13.58 C ATOM 1120 N VAL A 116 33.603 8.108 11.118 1.00 14.29 N ATOM 1121 CA VAL A 116 33.443 6.714 11.489 1.00 14.06 C ATOM 1122 C VAL A 116 33.788 5.816 10.308 1.00 14.60 C ATOM 1123 O VAL A 116 34.049 4.634 10.501 1.00 16.15 O ATOM 1124 CB VAL A 116 32.022 6.348 12.008 1.00 13.58 C ATOM 1125 CG1 VAL A 116 31.750 6.948 13.382 1.00 12.52 C ATOM 1126 CG2 VAL A 116 30.927 6.693 10.970 1.00 12.47 C ATOM 1127 H VAL A 116 32.771 8.699 10.917 1.00 0.00 H ATOM 1128 N GLY A 117 33.787 6.366 9.091 1.00 15.69 N ATOM 1129 CA GLY A 117 34.178 5.604 7.908 1.00 16.67 C ATOM 1130 C GLY A 117 33.007 4.811 7.360 1.00 17.95 C ATOM 1131 O GLY A 117 31.849 5.210 7.454 1.00 16.30 O ATOM 1132 H GLY A 117 33.501 7.360 8.983 1.00 0.00 H ATOM 1133 N ASP A 118 33.323 3.662 6.790 1.00 17.79 N ATOM 1134 CA ASP A 118 32.355 2.825 6.147 1.00 17.24 C ATOM 1135 C ASP A 118 31.403 2.242 7.152 1.00 15.62 C ATOM 1136 O ASP A 118 31.787 1.852 8.250 1.00 15.06 O ATOM 1137 CB ASP A 118 33.050 1.680 5.399 1.00 19.90 C ATOM 1138 CG ASP A 118 33.738 2.130 4.119 1.00 20.64 C ATOM 1139 OD1 ASP A 118 33.705 3.317 3.726 1.00 24.21 O ATOM 1140 OD2 ASP A 118 34.307 1.256 3.493 1.00 25.55 O ATOM 1141 H ASP A 118 34.316 3.352 6.809 1.00 0.00 H ATOM 1142 N VAL A 119 30.161 2.167 6.739 1.00 14.69 N ATOM 1143 CA VAL A 119 29.086 1.697 7.584 1.00 15.38 C ATOM 1144 C VAL A 119 28.534 0.448 6.925 1.00 14.81 C ATOM 1145 O VAL A 119 28.063 0.515 5.800 1.00 15.28 O ATOM 1146 CB VAL A 119 27.986 2.762 7.696 1.00 15.56 C ATOM 1147 CG1 VAL A 119 26.777 2.240 8.449 1.00 15.90 C ATOM 1148 CG2 VAL A 119 28.543 3.991 8.385 1.00 15.85 C ATOM 1149 H VAL A 119 29.940 2.457 5.765 1.00 0.00 H ATOM 1150 N VAL A 120 28.574 -0.674 7.628 1.00 15.97 N ATOM 1151 CA VAL A 120 28.149 -1.963 7.065 1.00 17.91 C ATOM 1152 C VAL A 120 26.978 -2.555 7.799 1.00 19.01 C ATOM 1153 O VAL A 120 26.745 -2.215 8.955 1.00 18.83 O ATOM 1154 CB VAL A 120 29.321 -2.981 7.053 1.00 19.07 C ATOM 1155 CG1 VAL A 120 30.544 -2.381 6.321 1.00 19.66 C ATOM 1156 CG2 VAL A 120 29.708 -3.444 8.485 1.00 19.93 C ATOM 1157 H VAL A 120 28.917 -0.642 8.609 1.00 0.00 H ATOM 1158 N GLN A 121 26.312 -3.518 7.162 1.00 21.89 N ATOM 1159 CA GLN A 121 25.197 -4.253 7.761 1.00 22.64 C ATOM 1160 C GLN A 121 25.728 -5.084 8.904 1.00 21.64 C ATOM 1161 O GLN A 121 26.795 -5.643 8.821 1.00 23.55 O ATOM 1162 CB GLN A 121 24.463 -5.211 6.776 1.00 25.81 C ATOM 1163 CG GLN A 121 23.948 -4.570 5.477 1.00 28.02 C ATOM 1164 CD GLN A 121 22.731 -3.649 5.635 1.00 33.08 C ATOM 1165 OE1 GLN A 121 22.472 -3.029 6.702 1.00 35.35 O ATOM 1166 NE2 GLN A 121 21.980 -3.522 4.537 1.00 35.58 N ATOM 1167 HE22 GLN A 121 22.225 -4.050 3.675 1.00 0.00 H ATOM 1168 HE21 GLN A 121 21.150 -2.895 4.544 1.00 0.00 H ATOM 1169 H GLN A 121 26.599 -3.759 6.192 1.00 0.00 H ATOM 1170 N TYR A 122 24.976 -5.174 9.980 1.00 18.62 N ATOM 1171 CA TYR A 122 25.461 -5.951 11.101 1.00 17.62 C ATOM 1172 C TYR A 122 24.350 -6.856 11.581 1.00 16.31 C ATOM 1173 O TYR A 122 24.537 -8.064 11.641 1.00 16.91 O ATOM 1174 CB TYR A 122 26.000 -5.040 12.206 1.00 18.09 C ATOM 1175 CG TYR A 122 26.858 -5.786 13.239 1.00 16.93 C ATOM 1176 CD1 TYR A 122 28.206 -6.051 13.011 1.00 16.42 C ATOM 1177 CD2 TYR A 122 26.310 -6.224 14.412 1.00 16.33 C ATOM 1178 CE1 TYR A 122 28.969 -6.737 13.951 1.00 15.91 C ATOM 1179 CE2 TYR A 122 27.070 -6.899 15.364 1.00 15.70 C ATOM 1180 CZ TYR A 122 28.382 -7.162 15.111 1.00 15.06 C ATOM 1181 OH TYR A 122 29.082 -7.864 16.014 1.00 14.86 O ATOM 1182 HH TYR A 122 30.013 -7.975 15.695 1.00 0.00 H ATOM 1183 H TYR A 122 24.053 -4.697 10.024 1.00 0.00 H ATOM 1184 N GLY A 123 23.190 -6.279 11.890 1.00 15.15 N ATOM 1185 CA GLY A 123 21.977 -7.046 12.187 1.00 13.82 C ATOM 1186 C GLY A 123 21.822 -7.093 13.713 1.00 13.26 C ATOM 1187 O GLY A 123 21.523 -6.065 14.361 1.00 12.23 O ATOM 1188 H GLY A 123 23.143 -5.241 11.922 1.00 0.00 H ATOM 1189 N PHE A 124 21.996 -8.275 14.255 1.00 12.56 N ATOM 1190 CA PHE A 124 21.746 -8.519 15.657 1.00 14.61 C ATOM 1191 C PHE A 124 22.822 -7.964 16.488 1.00 15.59 C ATOM 1192 O PHE A 124 23.978 -8.211 16.218 1.00 17.24 O ATOM 1193 CB PHE A 124 21.649 -10.011 15.950 1.00 14.52 C ATOM 1194 CG PHE A 124 21.454 -10.360 17.390 1.00 13.97 C ATOM 1195 CD1 PHE A 124 22.537 -10.499 18.245 1.00 15.30 C ATOM 1196 CD2 PHE A 124 20.218 -10.709 17.842 1.00 14.30 C ATOM 1197 CE1 PHE A 124 22.387 -10.903 19.570 1.00 14.72 C ATOM 1198 CE2 PHE A 124 20.037 -11.066 19.161 1.00 15.99 C ATOM 1199 CZ PHE A 124 21.137 -11.190 20.025 1.00 15.18 C ATOM 1200 H PHE A 124 22.324 -9.060 13.657 1.00 0.00 H ATOM 1201 N LEU A 125 22.430 -7.338 17.583 1.00 16.68 N ATOM 1202 CA LEU A 125 23.377 -6.855 18.550 1.00 18.32 C ATOM 1203 C LEU A 125 22.817 -6.999 19.947 1.00 19.08 C ATOM 1204 O LEU A 125 21.676 -6.657 20.191 1.00 20.13 O ATOM 1205 CB LEU A 125 23.658 -5.383 18.250 1.00 19.42 C ATOM 1206 CG LEU A 125 24.650 -4.703 19.180 1.00 19.91 C ATOM 1207 CD1 LEU A 125 26.057 -5.320 19.051 1.00 20.51 C ATOM 1208 CD2 LEU A 125 24.691 -3.222 18.928 1.00 20.07 C ATOM 1209 H LEU A 125 21.414 -7.191 17.749 1.00 0.00 H ATOM 1210 N ASN A 126 23.606 -7.561 20.851 1.00 21.65 N ATOM 1211 CA ASN A 126 23.217 -7.636 22.236 1.00 25.35 C ATOM 1212 C ASN A 126 23.728 -6.403 22.910 1.00 26.60 C ATOM 1213 O ASN A 126 24.909 -6.283 23.205 1.00 23.00 O ATOM 1214 CB ASN A 126 23.752 -8.887 22.933 1.00 28.87 C ATOM 1215 CG ASN A 126 23.081 -9.113 24.265 1.00 35.85 C ATOM 1216 OD1 ASN A 126 22.249 -10.013 24.418 1.00 40.38 O ATOM 1217 ND2 ASN A 126 23.384 -8.252 25.235 1.00 37.54 N ATOM 1218 HD22 ASN A 126 24.090 -7.507 25.067 1.00 0.00 H ATOM 1219 HD21 ASN A 126 22.914 -8.324 26.160 1.00 0.00 H ATOM 1220 H ASN A 126 24.522 -7.955 20.556 1.00 0.00 H ATOM 1221 N LEU A 127 22.813 -5.480 23.165 1.00 29.94 N ATOM 1222 CA LEU A 127 23.170 -4.180 23.676 1.00 32.32 C ATOM 1223 C LEU A 127 22.900 -4.039 25.190 1.00 33.42 C ATOM 1224 O LEU A 127 21.779 -3.724 25.585 1.00 32.01 O ATOM 1225 CB LEU A 127 22.341 -3.194 22.887 1.00 34.61 C ATOM 1226 CG LEU A 127 22.777 -1.743 22.918 1.00 38.14 C ATOM 1227 CD1 LEU A 127 23.912 -1.535 21.922 1.00 38.15 C ATOM 1228 CD2 LEU A 127 21.561 -0.919 22.550 1.00 38.58 C ATOM 1229 H LEU A 127 21.811 -5.699 22.992 1.00 0.00 H ATOM 1230 N SER A 128 23.914 -4.288 26.030 1.00 36.50 N ATOM 1231 CA SER A 128 23.759 -4.309 27.513 1.00 36.19 C ATOM 1232 C SER A 128 22.617 -5.204 27.912 1.00 38.99 C ATOM 1233 O SER A 128 21.660 -4.782 28.577 1.00 46.07 O ATOM 1234 CB SER A 128 23.493 -2.930 28.075 1.00 38.08 C ATOM 1235 OG SER A 128 24.444 -2.062 27.573 1.00 40.72 O ATOM 1236 HG SER A 128 24.283 -1.154 27.933 1.00 0.00 H ATOM 1237 H SER A 128 24.855 -4.476 25.628 1.00 0.00 H ATOM 1238 N GLY A 129 22.693 -6.432 27.442 1.00 35.50 N ATOM 1239 CA GLY A 129 21.704 -7.418 27.747 1.00 34.06 C ATOM 1240 C GLY A 129 20.442 -7.344 26.912 1.00 31.43 C ATOM 1241 O GLY A 129 19.619 -8.218 27.010 1.00 32.72 O ATOM 1242 H GLY A 129 23.495 -6.691 26.832 1.00 0.00 H ATOM 1243 N LYS A 130 20.294 -6.324 26.079 1.00 31.41 N ATOM 1244 CA LYS A 130 19.064 -6.123 25.314 1.00 28.88 C ATOM 1245 C LYS A 130 19.247 -6.510 23.835 1.00 24.11 C ATOM 1246 O LYS A 130 20.043 -5.904 23.135 1.00 21.81 O ATOM 1247 CB LYS A 130 18.656 -4.668 25.416 1.00 31.63 C ATOM 1248 CG LYS A 130 17.380 -4.335 24.675 1.00 33.16 C ATOM 1249 CD LYS A 130 16.183 -4.765 25.465 1.00 37.20 C ATOM 1250 CE LYS A 130 15.219 -3.607 25.497 1.00 39.08 C ATOM 1251 NZ LYS A 130 14.061 -3.850 26.394 1.00 42.95 N ATOM 1252 HZ1 LYS A 130 13.541 -4.689 26.067 1.00 0.00 H ATOM 1253 HZ2 LYS A 130 14.402 -4.008 27.364 1.00 0.00 H ATOM 1254 HZ3 LYS A 130 13.431 -3.022 26.377 1.00 0.00 H ATOM 1255 H LYS A 130 21.075 -5.647 25.966 1.00 0.00 H ATOM 1256 N PRO A 131 18.523 -7.527 23.368 1.00 21.24 N ATOM 1257 CA PRO A 131 18.670 -7.959 22.008 1.00 19.90 C ATOM 1258 C PRO A 131 18.123 -6.901 21.131 1.00 18.46 C ATOM 1259 O PRO A 131 17.094 -6.320 21.446 1.00 20.53 O ATOM 1260 CB PRO A 131 17.813 -9.212 21.904 1.00 20.56 C ATOM 1261 CG PRO A 131 17.585 -9.646 23.286 1.00 23.18 C ATOM 1262 CD PRO A 131 17.631 -8.414 24.133 1.00 23.99 C ATOM 1263 N THR A 132 18.806 -6.635 20.040 1.00 16.25 N ATOM 1264 CA THR A 132 18.460 -5.490 19.194 1.00 15.77 C ATOM 1265 C THR A 132 18.688 -5.920 17.757 1.00 15.30 C ATOM 1266 O THR A 132 19.656 -6.633 17.486 1.00 14.08 O ATOM 1267 CB THR A 132 19.378 -4.311 19.550 1.00 14.58 C ATOM 1268 OG1 THR A 132 19.248 -3.997 20.957 1.00 13.99 O ATOM 1269 CG2 THR A 132 19.097 -3.101 18.662 1.00 14.24 C ATOM 1270 HG1 THR A 132 19.505 -4.787 21.495 1.00 0.00 H ATOM 1271 H THR A 132 19.604 -7.246 19.773 1.00 0.00 H ATOM 1272 N HIS A 133 17.810 -5.526 16.852 1.00 14.65 N ATOM 1273 CA HIS A 133 17.973 -5.877 15.425 1.00 14.97 C ATOM 1274 C HIS A 133 18.170 -4.645 14.565 1.00 13.50 C ATOM 1275 O HIS A 133 18.012 -3.498 15.024 1.00 13.86 O ATOM 1276 CB HIS A 133 16.725 -6.616 14.878 1.00 14.95 C ATOM 1277 CG HIS A 133 16.615 -8.048 15.291 1.00 15.99 C ATOM 1278 ND1 HIS A 133 15.447 -8.769 15.149 1.00 16.58 N ATOM 1279 CD2 HIS A 133 17.493 -8.884 15.915 1.00 16.80 C ATOM 1280 CE1 HIS A 133 15.631 -10.002 15.583 1.00 16.05 C ATOM 1281 NE2 HIS A 133 16.852 -10.087 16.095 1.00 15.37 N ATOM 1282 H HIS A 133 16.990 -4.959 17.148 1.00 0.00 H ATOM 1283 N ARG A 134 18.518 -4.900 13.311 1.00 12.52 N ATOM 1284 CA ARG A 134 18.608 -3.882 12.273 1.00 12.91 C ATOM 1285 C ARG A 134 19.677 -2.830 12.515 1.00 13.03 C ATOM 1286 O ARG A 134 19.534 -1.672 12.110 1.00 11.69 O ATOM 1287 CB ARG A 134 17.260 -3.176 12.021 1.00 13.89 C ATOM 1288 CG ARG A 134 16.203 -4.085 11.403 1.00 13.87 C ATOM 1289 CD ARG A 134 14.927 -3.339 11.200 1.00 13.90 C ATOM 1290 NE ARG A 134 13.789 -4.202 10.967 1.00 14.02 N ATOM 1291 CZ ARG A 134 12.561 -3.786 10.714 1.00 14.83 C ATOM 1292 NH1 ARG A 134 12.283 -2.493 10.598 1.00 15.00 N ATOM 1293 NH2 ARG A 134 11.591 -4.693 10.507 1.00 16.95 N ATOM 1294 HE ARG A 134 13.950 -5.229 11.001 1.00 0.00 H ATOM 1295 HH12 ARG A 134 11.309 -2.186 10.399 1.00 0.00 H ATOM 1296 HH11 ARG A 134 13.039 -1.787 10.707 1.00 0.00 H ATOM 1297 HH22 ARG A 134 10.620 -4.379 10.307 1.00 0.00 H ATOM 1298 HH21 ARG A 134 11.812 -5.709 10.547 1.00 0.00 H ATOM 1299 H ARG A 134 18.739 -5.883 13.054 1.00 0.00 H ATOM 1300 N THR A 135 20.784 -3.283 13.103 1.00 13.23 N ATOM 1301 CA THR A 135 21.886 -2.411 13.410 1.00 14.07 C ATOM 1302 C THR A 135 22.884 -2.430 12.308 1.00 14.35 C ATOM 1303 O THR A 135 22.919 -3.353 11.507 1.00 14.09 O ATOM 1304 CB THR A 135 22.620 -2.815 14.709 1.00 14.24 C ATOM 1305 OG1 THR A 135 23.304 -4.071 14.553 1.00 12.76 O ATOM 1306 CG2 THR A 135 21.626 -2.827 15.907 1.00 14.02 C ATOM 1307 HG1 THR A 135 22.648 -4.777 14.329 1.00 0.00 H ATOM 1308 H THR A 135 20.853 -4.292 13.346 1.00 0.00 H ATOM 1309 N MET A 136 23.723 -1.400 12.301 1.00 15.47 N ATOM 1310 CA MET A 136 24.873 -1.319 11.415 1.00 15.72 C ATOM 1311 C MET A 136 26.127 -1.037 12.242 1.00 15.34 C ATOM 1312 O MET A 136 26.038 -0.619 13.389 1.00 15.45 O ATOM 1313 CB MET A 136 24.628 -0.266 10.306 1.00 18.15 C ATOM 1314 CG MET A 136 23.662 -0.753 9.211 1.00 21.30 C ATOM 1315 SD MET A 136 23.414 0.337 7.769 1.00 26.93 S ATOM 1316 CE MET A 136 22.749 1.754 8.661 1.00 22.80 C ATOM 1317 H MET A 136 23.549 -0.615 12.960 1.00 0.00 H ATOM 1318 N MET A 137 27.285 -1.163 11.607 1.00 14.72 N ATOM 1319 CA MET A 137 28.530 -1.137 12.306 1.00 14.64 C ATOM 1320 C MET A 137 29.542 -0.303 11.570 1.00 14.81 C ATOM 1321 O MET A 137 29.559 -0.210 10.307 1.00 13.83 O ATOM 1322 CB MET A 137 29.019 -2.579 12.477 1.00 16.95 C ATOM 1323 CG MET A 137 30.323 -2.753 13.228 1.00 18.14 C ATOM 1324 SD MET A 137 31.773 -2.482 12.240 1.00 20.69 S ATOM 1325 CE MET A 137 31.841 -4.030 11.315 1.00 18.66 C ATOM 1326 H MET A 137 27.286 -1.284 10.574 1.00 0.00 H ATOM 1327 N TYR A 138 30.360 0.387 12.354 1.00 14.65 N ATOM 1328 CA TYR A 138 31.492 1.138 11.818 1.00 14.54 C ATOM 1329 C TYR A 138 32.712 0.803 12.677 1.00 15.81 C ATOM 1330 O TYR A 138 32.631 0.677 13.929 1.00 15.19 O ATOM 1331 CB TYR A 138 31.235 2.672 11.787 1.00 14.20 C ATOM 1332 CG TYR A 138 30.103 3.192 12.686 1.00 13.45 C ATOM 1333 CD1 TYR A 138 28.775 3.145 12.247 1.00 13.87 C ATOM 1334 CD2 TYR A 138 30.350 3.745 13.948 1.00 13.31 C ATOM 1335 CE1 TYR A 138 27.723 3.595 13.038 1.00 13.04 C ATOM 1336 CE2 TYR A 138 29.308 4.188 14.741 1.00 12.13 C ATOM 1337 CZ TYR A 138 28.002 4.117 14.275 1.00 12.64 C ATOM 1338 OH TYR A 138 26.928 4.585 15.017 1.00 12.01 O ATOM 1339 HH TYR A 138 26.883 4.094 15.876 1.00 0.00 H ATOM 1340 H TYR A 138 30.190 0.393 13.380 1.00 0.00 H ATOM 1341 N ASN A 139 33.858 0.670 12.022 1.00 16.37 N ATOM 1342 CA ASN A 139 35.094 0.376 12.727 1.00 16.53 C ATOM 1343 C ASN A 139 35.689 1.658 13.263 1.00 16.00 C ATOM 1344 O ASN A 139 36.654 2.151 12.766 1.00 16.22 O ATOM 1345 CB ASN A 139 36.079 -0.395 11.839 1.00 18.42 C ATOM 1346 CG ASN A 139 35.556 -1.798 11.485 1.00 20.83 C ATOM 1347 OD1 ASN A 139 35.719 -2.269 10.375 1.00 23.61 O ATOM 1348 ND2 ASN A 139 34.959 -2.463 12.440 1.00 22.23 N ATOM 1349 HD22 ASN A 139 34.837 -2.030 13.377 1.00 0.00 H ATOM 1350 HD21 ASN A 139 34.607 -3.425 12.262 1.00 0.00 H ATOM 1351 H ASN A 139 33.872 0.778 10.988 1.00 0.00 H ATOM 1352 N PHE A 140 35.078 2.172 14.316 1.00 15.95 N ATOM 1353 CA PHE A 140 35.542 3.373 14.959 1.00 16.29 C ATOM 1354 C PHE A 140 35.249 3.281 16.448 1.00 16.24 C ATOM 1355 O PHE A 140 34.155 2.841 16.842 1.00 15.72 O ATOM 1356 CB PHE A 140 34.872 4.607 14.376 1.00 15.66 C ATOM 1357 CG PHE A 140 35.515 5.865 14.839 1.00 16.46 C ATOM 1358 CD1 PHE A 140 35.166 6.410 16.041 1.00 17.58 C ATOM 1359 CD2 PHE A 140 36.541 6.450 14.116 1.00 16.30 C ATOM 1360 CE1 PHE A 140 35.809 7.539 16.499 1.00 17.79 C ATOM 1361 CE2 PHE A 140 37.174 7.586 14.575 1.00 16.74 C ATOM 1362 CZ PHE A 140 36.801 8.128 15.760 1.00 16.99 C ATOM 1363 H PHE A 140 34.235 1.693 14.692 1.00 0.00 H ATOM 1364 N PRO A 141 36.191 3.709 17.291 1.00 16.35 N ATOM 1365 CA PRO A 141 36.002 3.545 18.738 1.00 16.89 C ATOM 1366 C PRO A 141 35.174 4.682 19.350 1.00 17.86 C ATOM 1367 O PRO A 141 35.703 5.556 20.057 1.00 16.31 O ATOM 1368 CB PRO A 141 37.435 3.550 19.292 1.00 17.47 C ATOM 1369 CG PRO A 141 38.208 4.391 18.301 1.00 17.14 C ATOM 1370 CD PRO A 141 37.536 4.213 16.962 1.00 16.95 C ATOM 1371 N THR A 142 33.867 4.653 19.069 1.00 17.64 N ATOM 1372 CA THR A 142 32.941 5.596 19.605 1.00 16.88 C ATOM 1373 C THR A 142 32.928 5.412 21.138 1.00 18.99 C ATOM 1374 O THR A 142 33.362 4.385 21.621 1.00 19.33 O ATOM 1375 CB THR A 142 31.548 5.332 19.056 1.00 15.25 C ATOM 1376 OG1 THR A 142 31.169 3.980 19.288 1.00 13.75 O ATOM 1377 CG2 THR A 142 31.513 5.662 17.585 1.00 14.61 C ATOM 1378 HG1 THR A 142 31.171 3.800 20.262 1.00 0.00 H ATOM 1379 H THR A 142 33.511 3.912 18.433 1.00 0.00 H ATOM 1380 N LYS A 143 32.418 6.401 21.872 1.00 20.90 N ATOM 1381 CA LYS A 143 32.459 6.393 23.333 1.00 23.10 C ATOM 1382 C LYS A 143 31.142 6.910 23.941 1.00 20.68 C ATOM 1383 O LYS A 143 30.220 7.315 23.245 1.00 16.72 O ATOM 1384 CB LYS A 143 33.597 7.275 23.813 1.00 26.24 C ATOM 1385 CG LYS A 143 33.324 8.749 23.595 1.00 31.10 C ATOM 1386 CD LYS A 143 34.428 9.438 22.794 1.00 37.23 C ATOM 1387 CE LYS A 143 35.591 9.944 23.631 1.00 41.57 C ATOM 1388 NZ LYS A 143 35.118 10.851 24.703 1.00 45.39 N ATOM 1389 HZ1 LYS A 143 34.633 11.666 24.277 1.00 0.00 H ATOM 1390 HZ2 LYS A 143 34.458 10.339 25.323 1.00 0.00 H ATOM 1391 HZ3 LYS A 143 35.932 11.182 25.259 1.00 0.00 H ATOM 1392 H LYS A 143 31.975 7.208 21.388 1.00 0.00 H ATOM 1393 N ALA A 144 31.075 6.839 25.266 1.00 19.57 N ATOM 1394 CA ALA A 144 29.908 7.281 26.001 1.00 18.08 C ATOM 1395 C ALA A 144 29.639 8.762 25.692 1.00 15.66 C ATOM 1396 O ALA A 144 30.564 9.534 25.386 1.00 14.69 O ATOM 1397 CB ALA A 144 30.120 7.034 27.506 1.00 19.32 C ATOM 1398 H ALA A 144 31.886 6.454 25.792 1.00 0.00 H ATOM 1399 N GLY A 145 28.359 9.123 25.701 1.00 14.29 N ATOM 1400 CA GLY A 145 27.943 10.493 25.423 1.00 13.35 C ATOM 1401 C GLY A 145 27.601 10.715 23.965 1.00 12.66 C ATOM 1402 O GLY A 145 27.105 11.763 23.600 1.00 11.39 O ATOM 1403 H GLY A 145 27.634 8.408 25.912 1.00 0.00 H ATOM 1404 N GLN A 146 27.861 9.726 23.128 1.00 12.59 N ATOM 1405 CA GLN A 146 27.635 9.913 21.696 1.00 12.89 C ATOM 1406 C GLN A 146 26.353 9.273 21.216 1.00 12.95 C ATOM 1407 O GLN A 146 26.094 9.280 20.024 1.00 13.38 O ATOM 1408 CB GLN A 146 28.837 9.427 20.881 1.00 12.15 C ATOM 1409 CG GLN A 146 30.099 10.139 21.329 1.00 12.59 C ATOM 1410 CD GLN A 146 31.342 9.870 20.479 1.00 12.27 C ATOM 1411 OE1 GLN A 146 31.681 8.743 20.192 1.00 12.25 O ATOM 1412 NE2 GLN A 146 32.072 10.936 20.160 1.00 12.62 N ATOM 1413 HE22 GLN A 146 31.746 11.888 20.425 1.00 0.00 H ATOM 1414 HE21 GLN A 146 32.968 10.818 19.646 1.00 0.00 H ATOM 1415 H GLN A 146 28.224 8.820 23.486 1.00 0.00 H ATOM 1416 N CYS A 147 25.582 8.676 22.109 1.00 12.90 N ATOM 1417 CA CYS A 147 24.336 8.027 21.673 1.00 13.13 C ATOM 1418 C CYS A 147 23.307 9.058 21.200 1.00 12.45 C ATOM 1419 O CYS A 147 23.173 10.166 21.765 1.00 11.85 O ATOM 1420 CB CYS A 147 23.736 7.170 22.748 1.00 14.87 C ATOM 1421 SG CYS A 147 24.689 5.692 22.895 1.00 16.31 S ATOM 1422 H CYS A 147 25.855 8.665 23.113 1.00 0.00 H ATOM 1423 N GLY A 148 22.643 8.690 20.108 1.00 11.66 N ATOM 1424 CA GLY A 148 21.718 9.575 19.382 1.00 12.09 C ATOM 1425 C GLY A 148 22.364 10.312 18.236 1.00 11.72 C ATOM 1426 O GLY A 148 21.692 10.944 17.399 1.00 11.70 O ATOM 1427 H GLY A 148 22.785 7.725 19.748 1.00 0.00 H ATOM 1428 N GLY A 149 23.686 10.216 18.170 1.00 11.17 N ATOM 1429 CA GLY A 149 24.426 10.818 17.079 1.00 10.71 C ATOM 1430 C GLY A 149 23.956 10.336 15.728 1.00 10.60 C ATOM 1431 O GLY A 149 23.601 9.184 15.571 1.00 9.49 O ATOM 1432 H GLY A 149 24.199 9.700 18.913 1.00 0.00 H ATOM 1433 N VAL A 150 24.012 11.226 14.749 1.00 11.12 N ATOM 1434 CA VAL A 150 23.399 10.960 13.466 1.00 11.78 C ATOM 1435 C VAL A 150 24.457 10.536 12.457 1.00 11.56 C ATOM 1436 O VAL A 150 25.394 11.289 12.160 1.00 12.21 O ATOM 1437 CB VAL A 150 22.624 12.193 12.979 1.00 12.22 C ATOM 1438 CG1 VAL A 150 21.905 11.892 11.672 1.00 12.93 C ATOM 1439 CG2 VAL A 150 21.621 12.648 14.032 1.00 12.36 C ATOM 1440 H VAL A 150 24.504 12.129 14.905 1.00 0.00 H ATOM 1441 N VAL A 151 24.295 9.330 11.940 1.00 11.10 N ATOM 1442 CA VAL A 151 25.185 8.777 10.951 1.00 11.60 C ATOM 1443 C VAL A 151 24.778 9.277 9.558 1.00 13.40 C ATOM 1444 O VAL A 151 23.647 9.055 9.138 1.00 13.57 O ATOM 1445 CB VAL A 151 25.143 7.254 10.986 1.00 11.70 C ATOM 1446 CG1 VAL A 151 26.095 6.690 9.975 1.00 11.91 C ATOM 1447 CG2 VAL A 151 25.524 6.723 12.355 1.00 11.37 C ATOM 1448 H VAL A 151 23.490 8.755 12.261 1.00 0.00 H ATOM 1449 N THR A 152 25.672 10.006 8.893 1.00 15.55 N ATOM 1450 CA THR A 152 25.354 10.694 7.632 1.00 19.45 C ATOM 1451 C THR A 152 26.433 10.544 6.555 1.00 20.65 C ATOM 1452 O THR A 152 27.613 10.399 6.863 1.00 20.38 O ATOM 1453 CB THR A 152 25.155 12.206 7.848 1.00 21.45 C ATOM 1454 OG1 THR A 152 26.399 12.803 8.203 1.00 21.59 O ATOM 1455 CG2 THR A 152 24.208 12.449 9.000 1.00 22.45 C ATOM 1456 HG1 THR A 152 27.054 12.656 7.475 1.00 0.00 H ATOM 1457 H THR A 152 26.633 10.093 9.280 1.00 0.00 H ATOM 1458 N SER A 153 26.006 10.565 5.295 1.00 23.94 N ATOM 1459 CA SER A 153 26.934 10.363 4.165 1.00 26.99 C ATOM 1460 C SER A 153 26.327 10.769 2.880 1.00 27.74 C ATOM 1461 O SER A 153 25.304 10.212 2.473 1.00 23.94 O ATOM 1462 CB SER A 153 27.297 8.887 3.995 1.00 30.16 C ATOM 1463 OG SER A 153 28.020 8.681 2.806 1.00 31.70 O ATOM 1464 HG SER A 153 28.243 7.720 2.719 1.00 0.00 H ATOM 1465 H SER A 153 24.997 10.727 5.102 1.00 0.00 H ATOM 1466 N VAL A 154 26.973 11.745 2.223 1.00 30.54 N ATOM 1467 CA VAL A 154 26.505 12.280 0.914 1.00 29.91 C ATOM 1468 C VAL A 154 25.012 12.718 0.882 1.00 25.60 C ATOM 1469 O VAL A 154 24.345 12.410 -0.018 1.00 23.13 O ATOM 1470 CB VAL A 154 26.759 11.276 -0.299 1.00 31.16 C ATOM 1471 CG1 VAL A 154 28.239 10.901 -0.427 1.00 33.37 C ATOM 1472 CG2 VAL A 154 25.908 9.989 -0.262 1.00 33.30 C ATOM 1473 H VAL A 154 27.836 12.144 2.645 1.00 0.00 H ATOM 1474 N GLY A 155 24.508 13.476 1.841 1.00 24.58 N ATOM 1475 CA GLY A 155 23.091 13.868 1.813 1.00 23.37 C ATOM 1476 C GLY A 155 22.114 12.780 2.213 1.00 20.33 C ATOM 1477 O GLY A 155 20.973 12.888 1.989 1.00 20.49 O ATOM 1478 H GLY A 155 25.118 13.797 2.620 1.00 0.00 H ATOM 1479 N LYS A 156 22.583 11.739 2.851 1.00 21.07 N ATOM 1480 CA LYS A 156 21.727 10.718 3.343 1.00 21.15 C ATOM 1481 C LYS A 156 21.841 10.604 4.876 1.00 19.02 C ATOM 1482 O LYS A 156 22.935 10.681 5.416 1.00 19.41 O ATOM 1483 CB LYS A 156 22.174 9.399 2.746 1.00 25.46 C ATOM 1484 CG LYS A 156 22.144 9.364 1.234 1.00 30.88 C ATOM 1485 CD LYS A 156 20.910 8.586 0.801 1.00 35.47 C ATOM 1486 CE LYS A 156 20.993 8.232 -0.681 1.00 39.95 C ATOM 1487 NZ LYS A 156 21.870 7.037 -0.831 1.00 44.62 N ATOM 1488 HZ1 LYS A 156 22.818 7.256 -0.463 1.00 0.00 H ATOM 1489 HZ2 LYS A 156 21.465 6.242 -0.297 1.00 0.00 H ATOM 1490 HZ3 LYS A 156 21.937 6.782 -1.837 1.00 0.00 H ATOM 1491 H LYS A 156 23.609 11.657 3.002 1.00 0.00 H ATOM 1492 N VAL A 157 20.721 10.329 5.541 1.00 15.42 N ATOM 1493 CA VAL A 157 20.643 10.185 6.985 1.00 14.77 C ATOM 1494 C VAL A 157 20.258 8.716 7.277 1.00 14.59 C ATOM 1495 O VAL A 157 19.122 8.311 7.136 1.00 14.02 O ATOM 1496 CB VAL A 157 19.600 11.189 7.520 1.00 14.53 C ATOM 1497 CG1 VAL A 157 19.352 11.003 9.019 1.00 14.98 C ATOM 1498 CG2 VAL A 157 20.040 12.627 7.253 1.00 14.18 C ATOM 1499 H VAL A 157 19.846 10.210 4.992 1.00 0.00 H ATOM 1500 N ILE A 158 21.223 7.921 7.700 1.00 15.44 N ATOM 1501 CA ILE A 158 21.088 6.467 7.708 1.00 16.27 C ATOM 1502 C ILE A 158 21.063 5.751 9.072 1.00 14.46 C ATOM 1503 O ILE A 158 20.713 4.570 9.149 1.00 14.96 O ATOM 1504 CB ILE A 158 22.220 5.836 6.843 1.00 18.76 C ATOM 1505 CG1 ILE A 158 23.577 6.047 7.457 1.00 18.86 C ATOM 1506 CG2 ILE A 158 22.241 6.468 5.446 1.00 20.92 C ATOM 1507 CD1 ILE A 158 24.641 5.234 6.754 1.00 20.97 C ATOM 1508 H ILE A 158 22.110 8.345 8.039 1.00 0.00 H ATOM 1509 N GLY A 159 21.473 6.437 10.120 1.00 12.47 N ATOM 1510 CA GLY A 159 21.556 5.797 11.403 1.00 11.79 C ATOM 1511 C GLY A 159 21.563 6.724 12.593 1.00 10.96 C ATOM 1512 O GLY A 159 21.831 7.944 12.476 1.00 10.48 O ATOM 1513 H GLY A 159 21.735 7.438 10.018 1.00 0.00 H ATOM 1514 N ILE A 160 21.249 6.130 13.735 1.00 10.11 N ATOM 1515 CA ILE A 160 21.299 6.783 15.045 1.00 10.32 C ATOM 1516 C ILE A 160 22.215 5.978 15.943 1.00 10.59 C ATOM 1517 O ILE A 160 21.971 4.801 16.161 1.00 10.42 O ATOM 1518 CB ILE A 160 19.903 6.794 15.680 1.00 10.36 C ATOM 1519 CG1 ILE A 160 18.954 7.689 14.879 1.00 10.59 C ATOM 1520 CG2 ILE A 160 19.956 7.341 17.084 1.00 10.79 C ATOM 1521 CD1 ILE A 160 19.333 9.143 14.757 1.00 10.58 C ATOM 1522 H ILE A 160 20.947 5.135 13.699 1.00 0.00 H ATOM 1523 N HIS A 161 23.289 6.593 16.446 1.00 11.32 N ATOM 1524 CA HIS A 161 24.255 5.891 17.262 1.00 10.62 C ATOM 1525 C HIS A 161 23.662 5.380 18.548 1.00 10.94 C ATOM 1526 O HIS A 161 23.013 6.103 19.276 1.00 10.00 O ATOM 1527 CB HIS A 161 25.505 6.732 17.531 1.00 10.89 C ATOM 1528 CG HIS A 161 26.615 5.959 18.173 1.00 10.81 C ATOM 1529 ND1 HIS A 161 27.441 5.105 17.469 1.00 11.05 N ATOM 1530 CD2 HIS A 161 26.990 5.855 19.466 1.00 10.91 C ATOM 1531 CE1 HIS A 161 28.278 4.499 18.297 1.00 11.27 C ATOM 1532 NE2 HIS A 161 28.043 4.954 19.515 1.00 11.87 N ATOM 1533 H HIS A 161 23.434 7.603 16.246 1.00 0.00 H ATOM 1534 N ILE A 162 23.900 4.078 18.831 1.00 11.76 N ATOM 1535 CA ILE A 162 23.391 3.433 20.031 1.00 11.80 C ATOM 1536 C ILE A 162 24.408 2.687 20.939 1.00 12.44 C ATOM 1537 O ILE A 162 24.084 2.362 22.070 1.00 12.71 O ATOM 1538 CB ILE A 162 22.244 2.471 19.662 1.00 12.38 C ATOM 1539 CG1 ILE A 162 22.752 1.414 18.656 1.00 13.03 C ATOM 1540 CG2 ILE A 162 21.040 3.260 19.135 1.00 12.43 C ATOM 1541 CD1 ILE A 162 21.856 0.193 18.556 1.00 12.68 C ATOM 1542 H ILE A 162 24.469 3.517 18.165 1.00 0.00 H ATOM 1543 N GLY A 163 25.602 2.391 20.469 1.00 12.76 N ATOM 1544 CA GLY A 163 26.558 1.671 21.311 1.00 14.13 C ATOM 1545 C GLY A 163 27.889 1.383 20.627 1.00 15.02 C ATOM 1546 O GLY A 163 28.100 1.737 19.446 1.00 14.36 O ATOM 1547 H GLY A 163 25.865 2.668 19.502 1.00 0.00 H ATOM 1548 N GLY A 164 28.769 0.727 21.369 1.00 14.60 N ATOM 1549 CA GLY A 164 30.134 0.453 20.900 1.00 15.81 C ATOM 1550 C GLY A 164 30.856 -0.432 21.866 1.00 17.01 C ATOM 1551 O GLY A 164 30.482 -0.500 23.017 1.00 19.29 O ATOM 1552 H GLY A 164 28.485 0.396 22.313 1.00 0.00 H ATOM 1553 N ASN A 165 31.848 -1.164 21.403 1.00 17.95 N ATOM 1554 CA ASN A 165 32.530 -2.142 22.243 1.00 19.16 C ATOM 1555 C ASN A 165 33.981 -1.708 22.479 1.00 22.60 C ATOM 1556 O ASN A 165 34.825 -2.505 22.931 1.00 22.81 O ATOM 1557 CB ASN A 165 32.520 -3.517 21.576 1.00 17.85 C ATOM 1558 CG ASN A 165 33.077 -3.478 20.188 1.00 16.47 C ATOM 1559 OD1 ASN A 165 33.992 -2.686 19.883 1.00 16.52 O ATOM 1560 ND2 ASN A 165 32.547 -4.314 19.323 1.00 16.00 N ATOM 1561 HD22 ASN A 165 31.786 -4.957 19.621 1.00 0.00 H ATOM 1562 HD21 ASN A 165 32.889 -4.332 18.341 1.00 0.00 H ATOM 1563 H ASN A 165 32.152 -1.042 20.416 1.00 0.00 H ATOM 1564 N GLY A 166 34.283 -0.470 22.127 1.00 23.13 N ATOM 1565 CA GLY A 166 35.623 0.109 22.388 1.00 24.98 C ATOM 1566 C GLY A 166 36.481 0.108 21.178 1.00 22.42 C ATOM 1567 O GLY A 166 37.456 0.803 21.141 1.00 29.08 O ATOM 1568 H GLY A 166 33.562 0.113 21.655 1.00 0.00 H ATOM 1569 N ARG A 167 36.152 -0.689 20.184 1.00 23.82 N ATOM 1570 CA ARG A 167 36.854 -0.644 18.886 1.00 23.03 C ATOM 1571 C ARG A 167 35.907 -0.390 17.698 1.00 22.49 C ATOM 1572 O ARG A 167 36.318 0.039 16.618 1.00 25.52 O ATOM 1573 CB ARG A 167 37.578 -1.967 18.666 1.00 25.12 C ATOM 1574 CG ARG A 167 38.087 -2.612 19.944 1.00 29.35 C ATOM 1575 CD ARG A 167 38.524 -4.039 19.685 1.00 31.65 C ATOM 1576 NE ARG A 167 37.418 -4.975 19.498 1.00 34.33 N ATOM 1577 CZ ARG A 167 36.735 -5.496 20.506 1.00 35.88 C ATOM 1578 NH1 ARG A 167 37.033 -5.175 21.759 1.00 39.83 N ATOM 1579 NH2 ARG A 167 35.747 -6.327 20.267 1.00 39.46 N ATOM 1580 HE ARG A 167 37.155 -5.245 18.529 1.00 0.00 H ATOM 1581 HH12 ARG A 167 36.492 -5.589 22.545 1.00 0.00 H ATOM 1582 HH11 ARG A 167 37.808 -4.510 21.955 1.00 0.00 H ATOM 1583 HH22 ARG A 167 35.210 -6.737 21.057 1.00 0.00 H ATOM 1584 HH21 ARG A 167 35.502 -6.575 19.287 1.00 0.00 H ATOM 1585 H ARG A 167 35.376 -1.369 20.316 1.00 0.00 H ATOM 1586 N GLN A 168 34.643 -0.678 17.905 1.00 20.18 N ATOM 1587 CA GLN A 168 33.637 -0.526 16.904 1.00 19.65 C ATOM 1588 C GLN A 168 32.475 0.253 17.502 1.00 17.78 C ATOM 1589 O GLN A 168 32.274 0.279 18.703 1.00 18.45 O ATOM 1590 CB GLN A 168 33.140 -1.910 16.461 1.00 20.00 C ATOM 1591 CG GLN A 168 34.211 -2.731 15.728 1.00 20.43 C ATOM 1592 CD GLN A 168 33.745 -4.142 15.506 1.00 20.57 C ATOM 1593 OE1 GLN A 168 33.380 -4.801 16.436 1.00 17.97 O ATOM 1594 NE2 GLN A 168 33.774 -4.611 14.265 1.00 23.58 N ATOM 1595 HE22 GLN A 168 34.099 -4.003 13.487 1.00 0.00 H ATOM 1596 HE21 GLN A 168 33.472 -5.587 14.071 1.00 0.00 H ATOM 1597 H GLN A 168 34.362 -1.033 18.841 1.00 0.00 H ATOM 1598 N GLY A 169 31.719 0.871 16.621 1.00 17.21 N ATOM 1599 CA GLY A 169 30.525 1.598 16.955 1.00 17.09 C ATOM 1600 C GLY A 169 29.343 0.980 16.193 1.00 15.87 C ATOM 1601 O GLY A 169 29.497 0.442 15.103 1.00 15.69 O ATOM 1602 H GLY A 169 32.003 0.831 15.621 1.00 0.00 H ATOM 1603 N PHE A 170 28.161 1.116 16.775 1.00 14.60 N ATOM 1604 CA PHE A 170 26.928 0.541 16.218 1.00 14.50 C ATOM 1605 C PHE A 170 25.821 1.566 16.224 1.00 14.27 C ATOM 1606 O PHE A 170 25.645 2.274 17.242 1.00 14.61 O ATOM 1607 CB PHE A 170 26.505 -0.624 17.073 1.00 13.11 C ATOM 1608 CG PHE A 170 27.494 -1.703 17.107 1.00 12.87 C ATOM 1609 CD1 PHE A 170 27.592 -2.569 16.042 1.00 14.09 C ATOM 1610 CD2 PHE A 170 28.342 -1.881 18.180 1.00 13.14 C ATOM 1611 CE1 PHE A 170 28.518 -3.633 16.061 1.00 13.91 C ATOM 1612 CE2 PHE A 170 29.309 -2.891 18.170 1.00 13.51 C ATOM 1613 CZ PHE A 170 29.388 -3.760 17.101 1.00 13.17 C ATOM 1614 H PHE A 170 28.103 1.652 17.664 1.00 0.00 H ATOM 1615 N CYS A 171 25.033 1.592 15.141 1.00 14.15 N ATOM 1616 CA CYS A 171 23.864 2.431 15.072 1.00 13.40 C ATOM 1617 C CYS A 171 22.590 1.642 14.817 1.00 13.69 C ATOM 1618 O CYS A 171 22.626 0.589 14.186 1.00 14.27 O ATOM 1619 CB CYS A 171 24.022 3.447 13.955 1.00 13.95 C ATOM 1620 SG CYS A 171 24.074 2.797 12.285 1.00 14.82 S ATOM 1621 H CYS A 171 25.272 0.990 14.327 1.00 0.00 H ATOM 1622 N ALA A 172 21.450 2.180 15.248 1.00 12.43 N ATOM 1623 CA ALA A 172 20.163 1.700 14.729 1.00 12.25 C ATOM 1624 C ALA A 172 19.953 2.256 13.339 1.00 12.57 C ATOM 1625 O ALA A 172 20.085 3.461 13.126 1.00 12.04 O ATOM 1626 CB ALA A 172 19.023 2.107 15.627 1.00 11.67 C ATOM 1627 H ALA A 172 21.472 2.943 15.955 1.00 0.00 H ATOM 1628 N GLY A 173 19.628 1.368 12.402 1.00 12.67 N ATOM 1629 CA GLY A 173 19.406 1.780 11.039 1.00 14.00 C ATOM 1630 C GLY A 173 18.118 2.566 10.918 1.00 14.91 C ATOM 1631 O GLY A 173 17.160 2.302 11.632 1.00 16.38 O ATOM 1632 H GLY A 173 19.533 0.364 12.657 1.00 0.00 H ATOM 1633 N LEU A 174 18.111 3.533 10.018 1.00 15.12 N ATOM 1634 CA LEU A 174 16.944 4.305 9.766 1.00 14.94 C ATOM 1635 C LEU A 174 16.352 3.894 8.450 1.00 15.89 C ATOM 1636 O LEU A 174 17.064 3.648 7.496 1.00 15.24 O ATOM 1637 CB LEU A 174 17.259 5.785 9.739 1.00 14.90 C ATOM 1638 CG LEU A 174 17.598 6.370 11.110 1.00 15.64 C ATOM 1639 CD1 LEU A 174 17.886 7.860 10.960 1.00 16.15 C ATOM 1640 CD2 LEU A 174 16.480 6.150 12.114 1.00 15.21 C ATOM 1641 H LEU A 174 18.979 3.734 9.482 1.00 0.00 H ATOM 1642 N LYS A 175 15.023 3.840 8.408 1.00 16.04 N ATOM 1643 CA LYS A 175 14.345 3.803 7.164 1.00 17.50 C ATOM 1644 C LYS A 175 13.159 4.750 7.178 1.00 15.73 C ATOM 1645 O LYS A 175 12.596 5.072 8.220 1.00 15.31 O ATOM 1646 CB LYS A 175 13.949 2.366 6.823 1.00 19.42 C ATOM 1647 CG LYS A 175 13.076 1.704 7.839 1.00 21.39 C ATOM 1648 CD LYS A 175 13.079 0.190 7.715 1.00 23.08 C ATOM 1649 CE LYS A 175 12.487 -0.239 6.392 1.00 25.98 C ATOM 1650 NZ LYS A 175 11.938 -1.604 6.525 1.00 27.79 N ATOM 1651 HZ1 LYS A 175 12.700 -2.258 6.795 1.00 0.00 H ATOM 1652 HZ2 LYS A 175 11.199 -1.609 7.257 1.00 0.00 H ATOM 1653 HZ3 LYS A 175 11.530 -1.902 5.616 1.00 0.00 H ATOM 1654 H LYS A 175 14.478 3.825 9.294 1.00 0.00 H ATOM 1655 N ARG A 176 12.806 5.188 5.993 1.00 15.60 N ATOM 1656 CA ARG A 176 11.845 6.239 5.824 1.00 16.88 C ATOM 1657 C ARG A 176 10.481 5.874 6.336 1.00 16.11 C ATOM 1658 O ARG A 176 9.813 6.724 6.920 1.00 16.19 O ATOM 1659 CB ARG A 176 11.768 6.662 4.358 1.00 18.69 C ATOM 1660 CG ARG A 176 11.077 8.003 4.149 1.00 19.33 C ATOM 1661 CD ARG A 176 11.041 8.348 2.676 1.00 20.04 C ATOM 1662 NE ARG A 176 12.400 8.366 2.192 1.00 19.55 N ATOM 1663 CZ ARG A 176 12.757 8.289 0.924 1.00 21.37 C ATOM 1664 NH1 ARG A 176 11.861 8.221 -0.037 1.00 22.05 N ATOM 1665 NH2 ARG A 176 14.052 8.269 0.625 1.00 21.87 N ATOM 1666 HE ARG A 176 13.159 8.446 2.899 1.00 0.00 H ATOM 1667 HH12 ARG A 176 12.166 8.161 -1.029 1.00 0.00 H ATOM 1668 HH11 ARG A 176 10.847 8.227 0.196 1.00 0.00 H ATOM 1669 HH22 ARG A 176 14.356 8.209 -0.368 1.00 0.00 H ATOM 1670 HH21 ARG A 176 14.762 8.314 1.384 1.00 0.00 H ATOM 1671 H ARG A 176 13.237 4.759 5.149 1.00 0.00 H ATOM 1672 N SER A 177 10.065 4.631 6.170 1.00 15.57 N ATOM 1673 CA SER A 177 8.709 4.213 6.637 1.00 16.81 C ATOM 1674 C SER A 177 8.516 4.357 8.147 1.00 16.65 C ATOM 1675 O SER A 177 7.396 4.460 8.597 1.00 17.32 O ATOM 1676 CB SER A 177 8.387 2.759 6.263 1.00 16.99 C ATOM 1677 OG SER A 177 9.313 1.840 6.869 1.00 17.17 O ATOM 1678 HG SER A 177 10.231 2.047 6.561 1.00 0.00 H ATOM 1679 H SER A 177 10.688 3.937 5.710 1.00 0.00 H ATOM 1680 N TYR A 178 9.591 4.381 8.929 1.00 16.13 N ATOM 1681 CA TYR A 178 9.477 4.664 10.371 1.00 15.40 C ATOM 1682 C TYR A 178 8.830 6.038 10.645 1.00 15.39 C ATOM 1683 O TYR A 178 8.194 6.230 11.684 1.00 14.88 O ATOM 1684 CB TYR A 178 10.821 4.667 11.072 1.00 14.76 C ATOM 1685 CG TYR A 178 11.559 3.375 11.150 1.00 16.23 C ATOM 1686 CD1 TYR A 178 10.942 2.138 10.990 1.00 16.64 C ATOM 1687 CD2 TYR A 178 12.916 3.376 11.460 1.00 16.63 C ATOM 1688 CE1 TYR A 178 11.687 0.947 11.089 1.00 16.44 C ATOM 1689 CE2 TYR A 178 13.656 2.202 11.546 1.00 16.28 C ATOM 1690 CZ TYR A 178 13.043 0.992 11.357 1.00 15.81 C ATOM 1691 OH TYR A 178 13.825 -0.153 11.502 1.00 14.52 O ATOM 1692 HH TYR A 178 14.194 -0.185 12.420 1.00 0.00 H ATOM 1693 H TYR A 178 10.528 4.197 8.516 1.00 0.00 H ATOM 1694 N PHE A 179 9.006 6.980 9.742 1.00 15.83 N ATOM 1695 CA PHE A 179 8.534 8.339 9.961 1.00 16.80 C ATOM 1696 C PHE A 179 7.346 8.721 9.049 1.00 19.25 C ATOM 1697 O PHE A 179 6.941 9.900 8.958 1.00 18.07 O ATOM 1698 CB PHE A 179 9.705 9.305 9.769 1.00 16.85 C ATOM 1699 CG PHE A 179 10.911 8.900 10.530 1.00 16.32 C ATOM 1700 CD1 PHE A 179 10.971 9.065 11.908 1.00 15.84 C ATOM 1701 CD2 PHE A 179 11.950 8.279 9.897 1.00 16.44 C ATOM 1702 CE1 PHE A 179 12.083 8.712 12.603 1.00 16.52 C ATOM 1703 CE2 PHE A 179 13.055 7.871 10.601 1.00 15.94 C ATOM 1704 CZ PHE A 179 13.118 8.072 11.959 1.00 17.11 C ATOM 1705 H PHE A 179 9.493 6.748 8.853 1.00 0.00 H ATOM 1706 N ALA A 180 6.781 7.724 8.379 1.00 20.50 N ATOM 1707 CA ALA A 180 5.487 7.903 7.757 1.00 24.55 C ATOM 1708 C ALA A 180 4.415 7.986 8.843 1.00 26.97 C ATOM 1709 O ALA A 180 3.389 8.588 8.593 1.00 29.83 O ATOM 1710 CB ALA A 180 5.171 6.749 6.833 1.00 24.90 C ATOM 1711 H ALA A 180 7.271 6.810 8.301 1.00 0.00 H TER 1712 ALA A 180 HETATM 1713 O HOH 1 28.044 6.885 1.562 1.00 42.72 O HETATM 1714 O HOH 2 12.741 13.149 29.337 1.00 15.57 O HETATM 1715 O HOH 3 1.279 23.233 25.560 1.00 19.65 O HETATM 1716 O HOH 4 26.518 13.923 3.040 1.00 33.40 O HETATM 1717 O HOH 5 20.967 19.515 6.003 1.00 13.39 O HETATM 1718 O HOH 6 33.865 2.019 9.549 1.00 26.18 O HETATM 1719 O HOH 7 35.793 8.003 20.499 1.00 22.42 O HETATM 1720 O HOH 8 14.655 23.785 22.545 1.00 24.79 O HETATM 1721 O HOH 9 6.774 -0.739 21.395 1.00 30.11 O HETATM 1722 O HOH 10 16.064 -0.083 12.679 1.00 25.54 O HETATM 1723 O HOH 11 13.915 22.503 11.653 1.00 20.10 O HETATM 1724 O HOH 12 22.096 -4.240 8.907 1.00 28.96 O HETATM 1725 O HOH 13 11.124 2.969 4.445 1.00 20.97 O HETATM 1726 O HOH 14 13.829 -7.019 12.015 1.00 13.03 O HETATM 1727 O HOH 15 33.268 2.038 20.529 1.00 20.45 O HETATM 1728 O HOH 16 1.954 24.367 22.753 1.00 22.71 O HETATM 1729 O HOH 17 3.873 14.981 28.704 1.00 29.81 O HETATM 1730 O HOH 18 2.037 11.185 18.168 1.00 25.82 O HETATM 1731 O HOH 19 9.298 20.497 15.994 1.00 20.47 O HETATM 1732 O HOH 20 17.661 10.356 -0.096 1.00 19.18 O HETATM 1733 O HOH 21 10.764 -1.385 23.476 1.00 22.94 O HETATM 1734 O HOH 22 7.980 19.073 8.748 1.00 29.25 O HETATM 1735 O HOH 23 6.616 11.249 6.698 1.00 35.91 O HETATM 1736 O HOH 24 12.394 0.352 26.887 1.00 27.62 O HETATM 1737 O HOH 25 12.025 15.716 3.099 1.00 21.18 O HETATM 1738 O HOH 26 2.658 21.687 19.958 1.00 22.68 O HETATM 1739 O HOH 27 30.657 10.311 2.570 1.00 23.29 O HETATM 1740 O HOH 28 23.926 25.524 0.936 1.00 29.49 O HETATM 1741 O HOH 29 11.632 0.000 0.000 1.00 30.85 O HETATM 1742 O HOH 30 14.553 -7.110 21.907 1.00 16.37 O HETATM 1743 O HOH 31 17.592 28.235 29.115 1.00 23.12 O HETATM 1744 O HOH 32 17.844 -0.798 14.911 1.00 12.06 O HETATM 1745 O HOH 33 8.214 -0.879 14.403 1.00 22.24 O HETATM 1746 O HOH 34 12.563 4.934 25.215 1.00 19.54 O HETATM 1747 O HOH 35 6.860 13.779 4.896 1.00 28.40 O HETATM 1748 O HOH 36 33.783 10.807 8.107 1.00 24.00 O HETATM 1749 O HOH 37 23.508 26.207 4.562 1.00 37.61 O HETATM 1750 O HOH 38 15.775 -12.898 13.310 1.00 27.14 O HETATM 1751 O HOH 39 38.273 -2.080 9.417 1.00 31.55 O HETATM 1752 O HOH 40 32.110 -0.768 8.978 1.00 19.34 O HETATM 1753 O HOH 41 22.809 21.448 31.862 1.00 18.83 O HETATM 1754 O HOH 42 33.754 26.181 -1.230 1.00 30.82 O HETATM 1755 O HOH 43 37.375 4.082 10.948 1.00 26.62 O HETATM 1756 O HOH 44 36.405 13.283 15.741 1.00 17.24 O HETATM 1757 O HOH 45 10.337 24.156 9.710 1.00 36.65 O HETATM 1758 O HOH 46 25.061 12.183 21.636 1.00 10.35 O HETATM 1759 O HOH 47 2.482 18.719 13.943 1.00 21.85 O HETATM 1760 O HOH 48 32.240 19.220 20.799 1.00 10.66 O HETATM 1761 O HOH 49 27.601 15.615 5.104 1.00 20.64 O HETATM 1762 O HOH 50 3.707 11.435 26.580 1.00 33.38 O HETATM 1763 O HOH 51 13.459 21.330 18.734 1.00 13.86 O HETATM 1764 O HOH 52 29.845 0.024 3.670 1.00 33.19 O HETATM 1765 O HOH 53 5.945 21.870 25.605 1.00 23.58 O HETATM 1766 O HOH 54 10.134 21.069 5.848 1.00 16.23 O HETATM 1767 O HOH 55 19.858 3.521 6.656 1.00 21.71 O HETATM 1768 O HOH 56 12.930 0.674 20.321 1.00 36.56 O HETATM 1769 O HOH 57 21.873 22.172 25.563 1.00 22.18 O HETATM 1770 O HOH 58 22.630 17.831 26.016 1.00 10.59 O HETATM 1771 O HOH 59 27.770 1.600 0.709 1.00 34.26 O HETATM 1772 O HOH 60 21.442 23.302 28.482 1.00 31.00 O HETATM 1773 O HOH 61 26.466 15.480 1.089 1.00 35.42 O HETATM 1774 O HOH 62 13.919 10.831 31.492 1.00 30.18 O HETATM 1775 O HOH 63 24.480 9.698 27.610 1.00 25.85 O HETATM 1776 O HOH 64 18.799 10.479 17.943 1.00 21.93 O HETATM 1777 O HOH 65 36.206 3.205 6.445 1.00 26.27 O HETATM 1778 O HOH 66 38.871 0.451 15.201 1.00 15.32 O HETATM 1779 O HOH 67 28.012 23.588 24.989 1.00 27.56 O HETATM 1780 O HOH 68 5.528 9.350 18.530 1.00 23.34 O HETATM 1781 O HOH 69 25.098 9.297 24.963 1.00 27.28 O HETATM 1782 O HOH 70 4.545 -11.845 14.603 1.00 22.47 O HETATM 1783 O HOH 71 27.535 14.108 25.389 1.00 13.82 O HETATM 1784 O HOH 72 40.377 0.366 20.738 1.00 26.58 O HETATM 1785 O HOH 73 8.616 -4.861 10.689 1.00 27.49 O HETATM 1786 O HOH 74 20.704 26.101 7.406 1.00 11.00 O HETATM 1787 O HOH 75 15.335 -2.263 5.353 1.00 14.40 O HETATM 1788 O HOH 76 8.174 -8.843 22.101 1.00 21.76 O HETATM 1789 O HOH 77 19.827 4.311 -0.200 1.00 33.35 O HETATM 1790 O HOH 78 33.450 5.386 26.490 1.00 25.31 O HETATM 1791 O HOH 79 35.478 4.075 1.369 1.00 28.10 O HETATM 1792 O HOH 80 32.270 19.974 1.945 1.00 15.25 O HETATM 1793 O HOH 81 15.948 4.615 -0.875 1.00 23.96 O HETATM 1794 O HOH 82 17.702 -3.067 4.155 1.00 32.01 O HETATM 1795 O HOH 83 18.676 -7.839 12.440 1.00 5.77 O HETATM 1796 O HOH 84 14.208 25.017 9.697 1.00 8.87 O HETATM 1797 O HOH 85 23.054 -10.715 12.649 1.00 15.47 O HETATM 1798 O HOH 86 28.789 13.438 6.309 1.00 30.80 O HETATM 1799 O HOH 87 3.954 15.618 14.506 1.00 13.08 O HETATM 1800 O HOH 88 29.724 13.131 2.978 1.00 3.45 O HETATM 1801 O HOH 89 15.781 20.328 -0.110 1.00 34.45 O HETATM 1802 O HOH 90 4.376 29.556 22.299 1.00 32.10 O HETATM 1803 O HOH 91 32.423 19.044 1.569 1.00 8.95 O HETATM 1804 O HOH 92 26.459 24.809 21.041 1.00 26.80 O HETATM 1805 O HOH 93 25.635 11.629 29.627 1.00 25.71 O HETATM 1806 O HOH 94 34.216 3.372 24.613 1.00 31.71 O HETATM 1807 O HOH 95 33.990 0.667 25.231 1.00 35.52 O HETATM 1808 O HOH 96 14.358 -3.711 7.654 1.00 32.63 O HETATM 1809 O HOH 97 35.884 10.181 6.753 1.00 19.98 O HETATM 1810 O HOH 98 21.054 19.981 26.701 1.00 17.70 O HETATM 1811 O HOH 99 -0.249 23.179 15.992 1.00 32.16 O HETATM 1812 O HOH 100 31.910 -2.576 25.833 1.00 44.40 O HETATM 1813 O HOH 101 4.418 7.956 16.530 1.00 17.63 O HETATM 1814 O1 UNN A 102 29.994 3.981 21.677 1.00 -0.40 O HETATM 1815 C13 UNN A 102 29.952 3.572 22.814 1.00 0.18 C HETATM 1816 C12 UNN A 102 28.749 3.460 23.706 1.00 0.05 C HETATM 1817 C11 UNN A 102 27.711 4.532 23.405 1.00 -0.01 C HETATM 1818 C10 UNN A 102 26.696 4.656 24.526 1.00 0.05 C HETATM 1819 C14 UNN A 102 25.745 5.859 24.329 1.00 -0.01 C HETATM 1820 C15 UNN A 102 24.914 6.059 25.591 1.00 0.05 C HETATM 1821 C16 UNN A 102 25.713 6.491 26.824 1.00 0.23 C HETATM 1822 O2 UNN A 102 24.984 6.386 28.094 1.00 -0.28 O HETATM 1823 C18 UNN A 102 25.605 6.418 29.388 1.00 0.07 C HETATM 1824 C19 UNN A 102 26.812 5.480 29.476 1.00 -0.04 C HETATM 1825 H14 UNN A 102 27.251 5.541 30.483 1.00 0.03 H HETATM 1826 H15 UNN A 102 27.563 5.778 28.730 1.00 0.03 H HETATM 1827 H16 UNN A 102 26.489 4.447 29.279 1.00 0.03 H HETATM 1828 H12 UNN A 102 24.865 6.114 30.143 1.00 0.06 H HETATM 1829 H13 UNN A 102 25.939 7.445 29.595 1.00 0.06 H HETATM 1830 O3 UNN A 102 26.879 6.943 26.804 1.00 -0.37 O HETATM 1831 H10 UNN A 102 24.412 5.109 25.824 1.00 0.05 H HETATM 1832 H11 UNN A 102 24.159 6.832 25.385 1.00 0.05 H HETATM 1833 H8 UNN A 102 26.336 6.765 24.131 1.00 0.03 H HETATM 1834 H9 UNN A 102 25.077 5.663 23.477 1.00 0.03 H HETATM 1835 N UNN A 102 25.816 3.475 24.466 1.00 -0.28 N HETATM 1836 C17 UNN A 102 25.566 2.764 25.596 1.00 0.18 C HETATM 1837 O4 UNN A 102 26.051 3.040 26.682 1.00 -0.40 O HETATM 1838 C2 UNN A 102 24.600 1.619 25.477 1.00 0.06 C HETATM 1839 C3 UNN A 102 23.367 2.101 26.228 1.00 0.00 C HETATM 1840 C4 UNN A 102 22.321 1.039 26.539 1.00 -0.04 C HETATM 1841 C5 UNN A 102 21.966 0.748 27.882 1.00 -0.06 C HETATM 1842 C6 UNN A 102 20.992 -0.215 28.205 1.00 -0.07 C HETATM 1843 C7 UNN A 102 20.353 -0.906 27.169 1.00 -0.07 C HETATM 1844 C8 UNN A 102 20.692 -0.621 25.834 1.00 -0.07 C HETATM 1845 C9 UNN A 102 21.675 0.349 25.515 1.00 -0.06 C HETATM 1846 H7 UNN A 102 21.923 0.553 24.480 1.00 0.06 H HETATM 1847 H5 UNN A 102 20.192 -1.154 25.033 1.00 0.06 H HETATM 1848 H4 UNN A 102 19.602 -1.655 27.394 1.00 0.06 H HETATM 1849 H30 UNN A 102 20.741 -0.418 29.240 1.00 0.06 H HETATM 1850 H3 UNN A 102 22.460 1.284 28.684 1.00 0.06 H HETATM 1851 H1 UNN A 102 22.885 2.881 25.620 1.00 0.05 H HETATM 1852 H2 UNN A 102 23.701 2.534 27.182 1.00 0.05 H HETATM 1853 C1 UNN A 102 25.260 0.371 26.009 1.00 -0.04 C HETATM 1854 H27 UNN A 102 26.133 0.125 25.387 1.00 0.03 H HETATM 1855 H28 UNN A 102 24.543 -0.463 25.981 1.00 0.03 H HETATM 1856 H29 UNN A 102 25.584 0.541 27.046 1.00 0.03 H HETATM 1857 H26 UNN A 102 24.334 1.444 24.424 1.00 0.06 H HETATM 1858 H25 UNN A 102 25.405 3.199 23.597 1.00 0.19 H HETATM 1859 H17 UNN A 102 27.213 4.726 25.494 1.00 0.06 H HETATM 1860 H18 UNN A 102 27.186 4.269 22.475 1.00 0.03 H HETATM 1861 H19 UNN A 102 28.222 5.498 23.277 1.00 0.03 H HETATM 1862 C26 UNN A 102 29.372 3.581 25.080 1.00 -0.01 C HETATM 1863 C25 UNN A 102 30.740 2.941 24.910 1.00 0.03 C HETATM 1864 N1 UNN A 102 30.971 3.155 23.489 1.00 -0.29 N HETATM 1865 H24 UNN A 102 31.861 2.990 23.063 1.00 0.19 H HETATM 1866 H22 UNN A 102 30.719 1.870 25.159 1.00 0.05 H HETATM 1867 H23 UNN A 102 31.501 3.445 25.523 1.00 0.05 H HETATM 1868 H20 UNN A 102 28.776 3.041 25.830 1.00 0.03 H HETATM 1869 H21 UNN A 102 29.466 4.636 25.377 1.00 0.03 H HETATM 1870 H6 UNN A 102 28.271 2.476 23.590 1.00 0.05 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1814 1815 CONECT 1815 1814 1816 1864 CONECT 1816 1815 1817 1862 1870 CONECT 1817 1816 1818 1860 1861 CONECT 1818 1817 1819 1835 1859 CONECT 1819 1818 1820 1833 1834 CONECT 1820 1819 1821 1831 1832 CONECT 1821 1820 1822 1830 CONECT 1822 1821 1823 CONECT 1823 1822 1824 1828 1829 CONECT 1824 1823 1825 1826 1827 CONECT 1825 1824 CONECT 1826 1824 CONECT 1827 1824 CONECT 1828 1823 CONECT 1829 1823 CONECT 1830 1821 CONECT 1831 1820 CONECT 1832 1820 CONECT 1833 1819 CONECT 1834 1819 CONECT 1835 1818 1836 1858 CONECT 1836 1835 1837 1838 CONECT 1837 1836 CONECT 1838 1836 1839 1853 1857 CONECT 1839 1838 1840 1851 1852 CONECT 1840 1839 1841 1845 CONECT 1841 1840 1842 1850 CONECT 1842 1841 1843 1849 CONECT 1843 1842 1844 1848 CONECT 1844 1843 1845 1847 CONECT 1845 1840 1844 1846 CONECT 1846 1845 CONECT 1847 1844 CONECT 1848 1843 CONECT 1849 1842 CONECT 1850 1841 CONECT 1851 1839 CONECT 1852 1839 CONECT 1853 1838 1854 1855 1856 CONECT 1854 1853 CONECT 1855 1853 CONECT 1856 1853 CONECT 1857 1838 CONECT 1858 1835 CONECT 1859 1818 CONECT 1860 1817 CONECT 1861 1817 CONECT 1862 1816 1863 1868 1869 CONECT 1863 1862 1864 1866 1867 CONECT 1864 1815 1863 1865 CONECT 1865 1864 CONECT 1866 1863 CONECT 1867 1863 CONECT 1868 1862 CONECT 1869 1862 CONECT 1870 1816 MASTER 0 0 0 0 0 0 0 0 1869 1 61 14 END
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Related entries of code: 5dp4
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
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PDBbind
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
192aa, >5DP8_1|Chain... at 94%
5dp9
RCSB PDB
PDBbind
192aa, >5DP9_1|Chain... at 94%
5dpa
RCSB PDB
PDBbind
192aa, >5DPA_1|Chain... at 94%
5gso
RCSB PDB
PDBbind
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PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5dp4
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
EV71 3C Proteinase
Ligand Name
5E8
EC.Number
E.C.-.-.-.-
Resolution
2.21(Å)
Affinity (Kd/Ki/IC50)
IC50=62.88uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Biochim.Biophys.Acta Vol. 1860: pp. 1299-1307
Ligand Properties
Formula
C
2
1
H
3
0
N
2
O
4
Molecular Weight
374.474
Exact Mass
374.221
No. of atoms
57
No. of bonds
58
Polar Surface Area
84.5
LOGP Value
2.39 (
Computed with XLOGP3
)
2.94 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 2
Canonical SMILES
CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccccc1)C
InChI String
InChI=1S/C21H30N2O4/c1-3-27-19(24)10-9-18(14-17-11-12-22-21(17)26)23-20(25)15(2)13-16-7-5-4-6-8-16/h4-8,15,17-18H,3,9-14H2,1-2H3,(H,22,26)(H,23,25)/t15-,17-,18+/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):
A9XG43
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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