HEADER HYDROLASE(ACID PROTEINASE) 24-MAY-94 1HPS TITLE RATIONAL DESIGN, SYNTHESIS AND CRYSTALLOGRAPHIC ANALYSIS OF TITLE 2 A HYDROXYETHYLENE-BASED HIV-1 PROTEASE INHIBITOR TITLE 3 CONTAINING A HETEROCYCLIC P1'-P2' AMIDE BOND ISOSTERE COMPND MOL_ID: 1; COMPND 2 MOLECULE: HIV-1 PROTEASE; COMPND 3 CHAIN: A; ATOM 1 N PRO A 1 -12.489 39.167 31.125 1.00 12.25 N ATOM 2 CA PRO A 1 -12.431 39.174 29.667 1.00 12.04 C ATOM 3 C PRO A 1 -13.415 38.221 29.020 1.00 11.24 C ATOM 4 O PRO A 1 -14.157 37.539 29.710 1.00 11.30 O ATOM 5 CB PRO A 1 -11.010 38.828 29.265 1.00 13.65 C ATOM 6 CG PRO A 1 -10.669 37.783 30.313 1.00 13.49 C ATOM 7 CD PRO A 1 -11.428 38.277 31.552 1.00 12.48 C ATOM 8 N GLN A 2 -13.448 38.283 27.691 1.00 13.04 N ATOM 9 CA GLN A 2 -14.323 37.462 26.863 1.00 13.89 C ATOM 10 C GLN A 2 -13.339 36.899 25.842 1.00 13.52 C ATOM 11 O GLN A 2 -12.763 37.700 25.086 1.00 14.22 O ATOM 12 CB GLN A 2 -15.391 38.276 26.113 1.00 12.00 C ATOM 13 CG GLN A 2 -16.164 37.300 25.245 1.00 13.95 C ATOM 14 CD GLN A 2 -17.191 38.003 24.399 1.00 16.63 C ATOM 15 OE1 GLN A 2 -16.874 38.592 23.354 1.00 17.48 O ATOM 16 NE2 GLN A 2 -18.452 37.978 24.851 1.00 16.67 N ATOM 17 N ILE A 3 -13.194 35.569 25.844 1.00 10.78 N ATOM 18 CA ILE A 3 -12.303 34.832 24.976 1.00 9.40 C ATOM 19 C ILE A 3 -12.953 34.114 23.784 1.00 10.75 C ATOM 20 O ILE A 3 -13.767 33.190 24.005 1.00 11.28 O ATOM 21 CB ILE A 3 -11.551 33.749 25.843 1.00 12.03 C ATOM 22 CG1 ILE A 3 -11.142 34.370 27.174 1.00 10.10 C ATOM 23 CG2 ILE A 3 -10.357 33.140 25.071 1.00 8.13 C ATOM 24 CD1 ILE A 3 -10.199 33.466 27.990 1.00 12.54 C ATOM 25 N THR A 4 -12.667 34.448 22.524 1.00 9.85 N ATOM 26 CA THR A 4 -13.265 33.714 21.416 1.00 9.12 C ATOM 27 C THR A 4 -12.356 32.469 21.238 1.00 10.37 C ATOM 28 O THR A 4 -11.144 32.540 21.511 1.00 9.59 O ATOM 29 CB THR A 4 -13.316 34.586 20.116 1.00 8.66 C ATOM 30 OG1 THR A 4 -12.082 35.222 19.851 1.00 7.56 O ATOM 31 CG2 THR A 4 -14.410 35.604 20.273 1.00 8.05 C ATOM 32 N LEU A 5 -12.841 31.307 20.785 1.00 8.19 N ATOM 33 CA LEU A 5 -11.974 30.132 20.646 1.00 8.07 C ATOM 34 C LEU A 5 -11.153 29.811 19.396 1.00 7.23 C ATOM 35 O LEU A 5 -10.769 28.646 19.221 1.00 5.28 O ATOM 36 CB LEU A 5 -12.833 28.875 20.978 1.00 10.93 C ATOM 37 CG LEU A 5 -13.349 28.610 22.400 1.00 9.98 C ATOM 38 CD1 LEU A 5 -12.384 29.145 23.467 1.00 8.92 C ATOM 39 CD2 LEU A 5 -14.650 29.284 22.560 1.00 7.17 C ATOM 40 N TRP A 6 -10.865 30.788 18.494 1.00 6.86 N ATOM 41 CA TRP A 6 -10.088 30.500 17.281 1.00 8.61 C ATOM 42 C TRP A 6 -8.677 29.961 17.548 1.00 7.95 C ATOM 43 O TRP A 6 -7.981 29.468 16.664 1.00 10.50 O ATOM 44 CB TRP A 6 -9.996 31.739 16.382 1.00 7.12 C ATOM 45 CG TRP A 6 -11.370 32.279 15.992 1.00 8.85 C ATOM 46 CD1 TRP A 6 -11.993 33.282 16.722 1.00 7.71 C ATOM 47 CD2 TRP A 6 -12.142 31.836 14.956 1.00 8.81 C ATOM 48 NE1 TRP A 6 -13.145 33.459 16.164 1.00 7.86 N ATOM 49 CE2 TRP A 6 -13.289 32.631 15.123 1.00 7.74 C ATOM 50 CE3 TRP A 6 -12.048 30.904 13.934 1.00 8.40 C ATOM 51 CZ2 TRP A 6 -14.378 32.510 14.272 1.00 7.31 C ATOM 52 CZ3 TRP A 6 -13.145 30.789 13.086 1.00 9.44 C ATOM 53 CH2 TRP A 6 -14.301 31.579 13.247 1.00 7.81 C ATOM 54 N GLN A 7 -8.228 30.027 18.788 1.00 7.94 N ATOM 55 CA GLN A 7 -6.946 29.530 19.214 1.00 7.53 C ATOM 56 C GLN A 7 -7.185 29.082 20.660 1.00 7.68 C ATOM 57 O GLN A 7 -8.179 29.483 21.264 1.00 5.87 O ATOM 58 CB GLN A 7 -5.912 30.646 19.106 1.00 10.30 C ATOM 59 CG GLN A 7 -6.098 31.974 19.762 1.00 8.80 C ATOM 60 CD GLN A 7 -4.771 32.742 19.705 1.00 12.14 C ATOM 61 OE1 GLN A 7 -4.743 33.911 19.345 1.00 14.83 O ATOM 62 NE2 GLN A 7 -3.596 32.215 20.034 1.00 12.03 N ATOM 63 N ARG A 8 -6.319 28.225 21.213 1.00 8.49 N ATOM 64 CA ARG A 8 -6.390 27.687 22.580 1.00 6.76 C ATOM 65 C ARG A 8 -6.634 28.730 23.659 1.00 5.29 C ATOM 66 O ARG A 8 -5.832 29.643 23.672 1.00 5.40 O ATOM 67 CB ARG A 8 -5.111 26.993 23.019 1.00 7.96 C ATOM 68 CG ARG A 8 -4.649 25.624 22.523 1.00 11.36 C ATOM 69 CD ARG A 8 -3.806 25.081 23.707 1.00 14.41 C ATOM 70 NE ARG A 8 -3.187 23.761 23.478 1.00 18.10 N ATOM 71 CZ ARG A 8 -1.901 23.475 23.818 1.00 16.24 C ATOM 72 NH1 ARG A 8 -1.055 24.358 24.390 1.00 16.27 N ATOM 73 NH2 ARG A 8 -1.457 22.256 23.554 1.00 17.22 N ATOM 74 N PRO A 9 -7.605 28.666 24.598 1.00 4.74 N ATOM 75 CA PRO A 9 -7.728 29.605 25.725 1.00 4.70 C ATOM 76 C PRO A 9 -6.678 29.450 26.832 1.00 4.96 C ATOM 77 O PRO A 9 -6.883 28.832 27.869 1.00 5.69 O ATOM 78 CB PRO A 9 -9.163 29.403 26.158 1.00 5.01 C ATOM 79 CG PRO A 9 -9.463 27.963 25.867 1.00 5.07 C ATOM 80 CD PRO A 9 -8.667 27.666 24.599 1.00 4.81 C ATOM 81 N LEU A 10 -5.492 29.991 26.560 1.00 6.14 N ATOM 82 CA LEU A 10 -4.392 29.920 27.498 1.00 7.04 C ATOM 83 C LEU A 10 -4.486 31.166 28.352 1.00 6.62 C ATOM 84 O LEU A 10 -4.853 32.180 27.762 1.00 7.30 O ATOM 85 CB LEU A 10 -3.090 29.851 26.715 1.00 8.14 C ATOM 86 CG LEU A 10 -2.962 28.561 25.946 1.00 8.81 C ATOM 87 CD1 LEU A 10 -1.659 28.424 25.172 1.00 11.84 C ATOM 88 CD2 LEU A 10 -2.984 27.466 26.979 1.00 14.06 C ATOM 89 N VAL A 11 -4.242 31.115 29.675 1.00 4.57 N ATOM 90 CA VAL A 11 -4.316 32.250 30.570 1.00 3.81 C ATOM 91 C VAL A 11 -3.142 32.198 31.572 1.00 5.51 C ATOM 92 O VAL A 11 -2.497 31.154 31.720 1.00 7.94 O ATOM 93 CB VAL A 11 -5.731 32.133 31.169 1.00 3.14 C ATOM 94 CG1 VAL A 11 -5.692 31.646 32.586 1.00 3.88 C ATOM 95 CG2 VAL A 11 -6.434 33.474 31.039 1.00 6.74 C ATOM 96 N THR A 12 -2.767 33.266 32.248 1.00 6.04 N ATOM 97 CA THR A 12 -1.683 33.217 33.207 1.00 7.33 C ATOM 98 C THR A 12 -2.249 32.992 34.608 1.00 7.22 C ATOM 99 O THR A 12 -3.280 33.566 35.011 1.00 6.75 O ATOM 100 CB THR A 12 -0.853 34.528 33.227 1.00 7.31 C ATOM 101 OG1 THR A 12 -0.252 34.632 31.943 1.00 10.77 O ATOM 102 CG2 THR A 12 0.273 34.523 34.237 1.00 8.22 C ATOM 103 N ILE A 13 -1.539 32.086 35.285 1.00 6.53 N ATOM 104 CA ILE A 13 -1.862 31.707 36.629 1.00 7.46 C ATOM 105 C ILE A 13 -0.617 31.795 37.496 1.00 6.65 C ATOM 106 O ILE A 13 0.511 31.731 37.020 1.00 7.68 O ATOM 107 CB ILE A 13 -2.418 30.246 36.745 1.00 6.69 C ATOM 108 CG1 ILE A 13 -1.392 29.212 36.369 1.00 8.33 C ATOM 109 CG2 ILE A 13 -3.643 30.157 35.882 1.00 8.18 C ATOM 110 CD1 ILE A 13 -1.707 27.743 36.684 1.00 6.19 C ATOM 111 N LYS A 14 -0.816 31.933 38.782 1.00 6.02 N ATOM 112 CA LYS A 14 0.255 32.005 39.747 1.00 5.83 C ATOM 113 C LYS A 14 -0.210 31.072 40.873 1.00 5.73 C ATOM 114 O LYS A 14 -1.282 31.262 41.441 1.00 4.22 O ATOM 115 CB LYS A 14 0.432 33.444 40.216 1.00 5.39 C ATOM 116 CG LYS A 14 1.488 33.513 41.281 1.00 6.67 C ATOM 117 CD LYS A 14 1.762 34.916 41.709 1.00 5.47 C ATOM 118 CE LYS A 14 2.683 34.764 42.894 1.00 2.82 C ATOM 119 NZ LYS A 14 3.051 36.076 43.393 1.00 5.03 N ATOM 120 N ILE A 15 0.568 30.008 41.080 1.00 6.42 N ATOM 121 CA ILE A 15 0.383 28.925 42.066 1.00 8.68 C ATOM 122 C ILE A 15 1.761 28.753 42.699 1.00 9.24 C ATOM 123 O ILE A 15 2.808 28.729 42.015 1.00 11.75 O ATOM 124 CB ILE A 15 0.096 27.469 41.534 1.00 8.48 C ATOM 125 CG1 ILE A 15 -0.533 27.603 40.227 1.00 8.87 C ATOM 126 CG2 ILE A 15 -0.773 26.602 42.451 1.00 11.13 C ATOM 127 CD1 ILE A 15 0.628 27.598 39.243 1.00 8.76 C ATOM 128 N GLY A 16 1.750 28.694 44.021 1.00 7.99 N ATOM 129 CA GLY A 16 2.937 28.358 44.782 1.00 9.15 C ATOM 130 C GLY A 16 4.241 29.074 44.422 1.00 9.51 C ATOM 131 O GLY A 16 5.296 28.428 44.276 1.00 7.27 O ATOM 132 N GLY A 17 4.050 30.423 44.372 1.00 8.64 N ATOM 133 CA GLY A 17 5.076 31.411 44.087 1.00 5.84 C ATOM 134 C GLY A 17 5.555 31.405 42.643 1.00 5.78 C ATOM 135 O GLY A 17 6.491 32.121 42.313 1.00 5.41 O ATOM 136 N GLN A 18 4.940 30.671 41.722 1.00 6.05 N ATOM 137 CA GLN A 18 5.462 30.555 40.367 1.00 6.59 C ATOM 138 C GLN A 18 4.355 30.905 39.395 1.00 6.95 C ATOM 139 O GLN A 18 3.169 30.886 39.789 1.00 5.68 O ATOM 140 CB GLN A 18 5.942 29.130 40.128 1.00 8.64 C ATOM 141 CG GLN A 18 6.755 28.479 41.249 1.00 8.46 C ATOM 142 CD GLN A 18 6.725 26.967 41.146 1.00 10.18 C ATOM 143 OE1 GLN A 18 7.164 26.395 40.140 1.00 8.22 O ATOM 144 NE2 GLN A 18 6.171 26.318 42.156 1.00 9.71 N ATOM 145 N LEU A 19 4.830 31.185 38.161 1.00 5.46 N ATOM 146 CA LEU A 19 4.006 31.587 37.020 1.00 6.00 C ATOM 147 C LEU A 19 3.789 30.646 35.879 1.00 6.05 C ATOM 148 O LEU A 19 4.788 30.232 35.345 1.00 8.24 O ATOM 149 CB LEU A 19 4.537 32.869 36.349 1.00 7.48 C ATOM 150 CG LEU A 19 4.246 34.290 36.846 1.00 6.76 C ATOM 151 CD1 LEU A 19 3.839 34.280 38.298 1.00 7.05 C ATOM 152 CD2 LEU A 19 5.475 35.160 36.654 1.00 8.58 C ATOM 153 N LYS A 20 2.583 30.262 35.445 1.00 7.03 N ATOM 154 CA LYS A 20 2.370 29.358 34.323 1.00 5.30 C ATOM 155 C LYS A 20 1.205 29.841 33.495 1.00 5.76 C ATOM 156 O LYS A 20 0.533 30.837 33.787 1.00 5.40 O ATOM 157 CB LYS A 20 2.039 27.935 34.716 1.00 5.99 C ATOM 158 CG LYS A 20 3.204 27.230 35.412 1.00 7.76 C ATOM 159 CD LYS A 20 2.962 27.385 36.917 1.00 8.98 C ATOM 160 CE LYS A 20 4.103 26.934 37.830 1.00 13.68 C ATOM 161 NZ LYS A 20 3.871 27.251 39.247 1.00 17.33 N ATOM 162 N GLU A 21 1.132 29.209 32.331 1.00 6.99 N ATOM 163 CA GLU A 21 0.094 29.478 31.356 1.00 8.64 C ATOM 164 C GLU A 21 -0.762 28.244 31.521 1.00 6.94 C ATOM 165 O GLU A 21 -0.204 27.145 31.624 1.00 9.65 O ATOM 166 CB GLU A 21 0.587 29.526 29.879 1.00 10.80 C ATOM 167 CG GLU A 21 1.230 30.819 29.307 1.00 11.52 C ATOM 168 CD GLU A 21 1.638 30.758 27.821 1.00 14.14 C ATOM 169 OE1 GLU A 21 0.884 30.188 27.020 1.00 15.13 O ATOM 170 OE2 GLU A 21 2.704 31.278 27.452 1.00 14.16 O ATOM 171 N ALA A 22 -2.053 28.357 31.643 1.00 6.29 N ATOM 172 CA ALA A 22 -2.920 27.191 31.782 1.00 8.06 C ATOM 173 C ALA A 22 -4.104 27.345 30.821 1.00 8.04 C ATOM 174 O ALA A 22 -4.423 28.439 30.359 1.00 6.89 O ATOM 175 CB ALA A 22 -3.439 27.064 33.198 1.00 7.10 C ATOM 176 N LEU A 23 -4.758 26.246 30.499 1.00 8.41 N ATOM 177 CA LEU A 23 -5.877 26.240 29.587 1.00 8.30 C ATOM 178 C LEU A 23 -7.207 26.117 30.305 1.00 8.19 C ATOM 179 O LEU A 23 -7.414 25.189 31.100 1.00 9.15 O ATOM 180 CB LEU A 23 -5.554 25.084 28.617 1.00 8.79 C ATOM 181 CG LEU A 23 -6.546 24.438 27.679 1.00 7.91 C ATOM 182 CD1 LEU A 23 -7.090 25.445 26.736 1.00 10.28 C ATOM 183 CD2 LEU A 23 -5.854 23.374 26.877 1.00 9.37 C ATOM 184 N LEU A 24 -8.116 27.062 30.042 1.00 8.49 N ATOM 185 CA LEU A 24 -9.451 27.071 30.663 1.00 4.98 C ATOM 186 C LEU A 24 -10.131 25.956 29.939 1.00 4.66 C ATOM 187 O LEU A 24 -10.143 25.959 28.720 1.00 5.13 O ATOM 188 CB LEU A 24 -10.091 28.434 30.437 1.00 4.05 C ATOM 189 CG LEU A 24 -9.838 29.516 31.497 1.00 2.04 C ATOM 190 CD1 LEU A 24 -8.420 29.482 32.056 1.00 2.54 C ATOM 191 CD2 LEU A 24 -10.166 30.822 30.849 1.00 2.75 C ATOM 192 N ASP A 25 -10.635 24.987 30.690 1.00 5.42 N ATOM 193 CA ASP A 25 -11.262 23.828 30.128 1.00 4.71 C ATOM 194 C ASP A 25 -12.605 23.363 30.641 1.00 4.67 C ATOM 195 O ASP A 25 -12.696 22.695 31.655 1.00 4.59 O ATOM 196 CB ASP A 25 -10.208 22.788 30.284 1.00 5.06 C ATOM 197 CG ASP A 25 -10.292 21.490 29.540 1.00 3.32 C ATOM 198 OD1 ASP A 25 -11.281 21.120 28.959 1.00 4.86 O ATOM 199 OD2 ASP A 25 -9.290 20.816 29.554 1.00 10.12 O ATOM 200 N THR A 26 -13.641 23.588 29.860 1.00 5.04 N ATOM 201 CA THR A 26 -15.000 23.197 30.219 1.00 4.12 C ATOM 202 C THR A 26 -15.128 21.677 30.203 1.00 5.12 C ATOM 203 O THR A 26 -15.967 21.118 30.868 1.00 6.32 O ATOM 204 CB THR A 26 -15.938 23.885 29.222 1.00 4.62 C ATOM 205 OG1 THR A 26 -15.502 23.508 27.924 1.00 6.45 O ATOM 206 CG2 THR A 26 -15.877 25.399 29.276 1.00 2.00 C ATOM 207 N GLY A 27 -14.311 20.922 29.486 1.00 4.95 N ATOM 208 CA GLY A 27 -14.437 19.486 29.529 1.00 6.15 C ATOM 209 C GLY A 27 -13.596 18.886 30.651 1.00 6.28 C ATOM 210 O GLY A 27 -13.348 17.660 30.651 1.00 5.37 O ATOM 211 N ALA A 28 -13.028 19.692 31.563 1.00 5.08 N ATOM 212 CA ALA A 28 -12.258 19.058 32.625 1.00 7.25 C ATOM 213 C ALA A 28 -12.985 19.329 33.923 1.00 6.78 C ATOM 214 O ALA A 28 -13.409 20.449 34.201 1.00 7.40 O ATOM 215 CB ALA A 28 -10.840 19.602 32.687 1.00 5.88 C ATOM 216 N ASP A 29 -13.282 18.264 34.654 1.00 5.91 N ATOM 217 CA ASP A 29 -13.974 18.383 35.918 1.00 5.58 C ATOM 218 C ASP A 29 -13.018 18.963 36.912 1.00 4.39 C ATOM 219 O ASP A 29 -13.401 19.840 37.664 1.00 5.35 O ATOM 220 CB ASP A 29 -14.425 17.061 36.503 1.00 4.13 C ATOM 221 CG ASP A 29 -15.395 16.257 35.653 1.00 7.47 C ATOM 222 OD1 ASP A 29 -16.108 16.804 34.816 1.00 5.98 O ATOM 223 OD2 ASP A 29 -15.410 15.045 35.830 1.00 9.20 O ATOM 224 N ASP A 30 -11.756 18.560 36.814 1.00 3.77 N ATOM 225 CA ASP A 30 -10.741 19.025 37.721 1.00 4.71 C ATOM 226 C ASP A 30 -9.633 19.717 36.955 1.00 5.96 C ATOM 227 O ASP A 30 -9.529 19.642 35.720 1.00 6.52 O ATOM 228 CB ASP A 30 -10.117 17.866 38.464 1.00 7.03 C ATOM 229 CG ASP A 30 -11.029 16.713 38.815 1.00 10.62 C ATOM 230 OD1 ASP A 30 -12.001 16.975 39.533 1.00 12.74 O ATOM 231 OD2 ASP A 30 -10.762 15.583 38.364 1.00 11.34 O ATOM 232 N THR A 31 -8.796 20.310 37.797 1.00 4.78 N ATOM 233 CA THR A 31 -7.631 21.049 37.405 1.00 3.67 C ATOM 234 C THR A 31 -6.403 20.152 37.531 1.00 2.94 C ATOM 235 O THR A 31 -6.135 19.631 38.599 1.00 3.22 O ATOM 236 CB THR A 31 -7.517 22.316 38.320 1.00 3.04 C ATOM 237 OG1 THR A 31 -8.774 22.968 38.214 1.00 4.03 O ATOM 238 CG2 THR A 31 -6.440 23.290 37.926 1.00 2.00 C ATOM 239 N VAL A 32 -5.666 19.942 36.448 1.00 4.38 N ATOM 240 CA VAL A 32 -4.498 19.121 36.517 1.00 5.57 C ATOM 241 C VAL A 32 -3.378 19.887 35.848 1.00 6.28 C ATOM 242 O VAL A 32 -3.402 20.339 34.716 1.00 6.13 O ATOM 243 CB VAL A 32 -4.765 17.734 35.874 1.00 4.17 C ATOM 244 CG1 VAL A 32 -5.328 17.858 34.509 1.00 5.76 C ATOM 245 CG2 VAL A 32 -3.454 16.934 35.949 1.00 6.15 C ATOM 246 N LEU A 33 -2.439 20.096 36.739 1.00 7.34 N ATOM 247 CA LEU A 33 -1.197 20.803 36.526 1.00 8.26 C ATOM 248 C LEU A 33 -0.077 19.806 36.399 1.00 8.20 C ATOM 249 O LEU A 33 -0.093 18.736 37.031 1.00 9.69 O ATOM 250 CB LEU A 33 -0.819 21.714 37.698 1.00 6.17 C ATOM 251 CG LEU A 33 -1.437 23.076 37.849 1.00 6.67 C ATOM 252 CD1 LEU A 33 -2.868 22.931 38.346 1.00 6.37 C ATOM 253 CD2 LEU A 33 -0.635 23.870 38.862 1.00 5.73 C ATOM 254 N GLU A 34 0.894 20.237 35.591 1.00 10.06 N ATOM 255 CA GLU A 34 2.070 19.450 35.324 1.00 12.56 C ATOM 256 C GLU A 34 2.807 19.183 36.620 1.00 11.93 C ATOM 257 O GLU A 34 2.470 19.701 37.700 1.00 12.68 O ATOM 258 CB GLU A 34 2.963 20.186 34.340 1.00 12.74 C ATOM 259 CG GLU A 34 2.378 20.201 32.929 1.00 14.87 C ATOM 260 CD GLU A 34 3.305 20.850 31.877 1.00 17.74 C ATOM 261 OE1 GLU A 34 3.341 22.086 31.752 1.00 16.77 O ATOM 262 OE2 GLU A 34 3.981 20.103 31.156 1.00 19.06 O ATOM 263 N GLU A 35 3.766 18.272 36.547 1.00 13.86 N ATOM 264 CA GLU A 35 4.538 17.951 37.741 1.00 13.32 C ATOM 265 C GLU A 35 5.194 19.213 38.289 1.00 12.92 C ATOM 266 O GLU A 35 6.096 19.798 37.680 1.00 13.74 O ATOM 267 CB GLU A 35 5.599 16.885 37.399 1.00 14.11 C ATOM 268 CG GLU A 35 6.401 16.447 38.653 1.00 15.49 C ATOM 269 CD GLU A 35 5.473 16.228 39.849 1.00 14.77 C ATOM 270 OE1 GLU A 35 4.736 15.244 39.859 1.00 10.45 O ATOM 271 OE2 GLU A 35 5.466 17.101 40.729 1.00 16.87 O ATOM 272 N MET A 36 4.725 19.727 39.406 1.00 13.48 N ATOM 273 CA MET A 36 5.387 20.923 39.859 1.00 15.19 C ATOM 274 C MET A 36 5.700 20.961 41.322 1.00 16.18 C ATOM 275 O MET A 36 5.185 20.242 42.164 1.00 18.32 O ATOM 276 CB MET A 36 4.564 22.138 39.506 1.00 14.74 C ATOM 277 CG MET A 36 3.146 22.139 40.109 1.00 16.50 C ATOM 278 SD MET A 36 2.680 23.863 40.016 1.00 15.42 S ATOM 279 CE MET A 36 3.719 24.354 41.360 1.00 17.30 C ATOM 280 N SER A 37 6.584 21.892 41.544 1.00 17.21 N ATOM 281 CA SER A 37 7.169 22.261 42.818 1.00 16.99 C ATOM 282 C SER A 37 6.047 22.870 43.714 1.00 16.52 C ATOM 283 O SER A 37 5.932 24.107 43.873 1.00 17.15 O ATOM 284 CB SER A 37 8.328 23.202 42.356 1.00 17.84 C ATOM 285 OG SER A 37 8.447 23.373 40.892 1.00 16.24 O ATOM 286 N LEU A 38 5.165 22.019 44.266 1.00 14.90 N ATOM 287 CA LEU A 38 4.053 22.431 45.101 1.00 13.59 C ATOM 288 C LEU A 38 4.009 21.630 46.389 1.00 15.31 C ATOM 289 O LEU A 38 4.123 20.387 46.299 1.00 17.16 O ATOM 290 CB LEU A 38 2.813 22.188 44.358 1.00 14.76 C ATOM 291 CG LEU A 38 1.554 22.902 44.712 1.00 14.96 C ATOM 292 CD1 LEU A 38 1.689 24.430 44.560 1.00 13.12 C ATOM 293 CD2 LEU A 38 0.499 22.319 43.769 1.00 14.52 C ATOM 294 N PRO A 39 3.869 22.308 47.565 1.00 15.49 N ATOM 295 CA PRO A 39 3.969 21.753 48.926 1.00 14.73 C ATOM 296 C PRO A 39 2.723 21.546 49.802 1.00 15.75 C ATOM 297 O PRO A 39 1.783 22.357 49.824 1.00 15.92 O ATOM 298 CB PRO A 39 4.957 22.698 49.548 1.00 16.90 C ATOM 299 CG PRO A 39 4.422 24.058 49.093 1.00 14.84 C ATOM 300 CD PRO A 39 4.022 23.777 47.653 1.00 14.33 C ATOM 301 N GLY A 40 2.746 20.509 50.645 1.00 15.93 N ATOM 302 CA GLY A 40 1.627 20.111 51.530 1.00 14.63 C ATOM 303 C GLY A 40 1.436 18.564 51.520 1.00 13.70 C ATOM 304 O GLY A 40 2.284 17.807 50.975 1.00 11.47 O ATOM 305 N ARG A 41 0.412 18.016 52.179 1.00 14.05 N ATOM 306 CA ARG A 41 0.228 16.580 51.966 1.00 15.73 C ATOM 307 C ARG A 41 -0.613 16.500 50.723 1.00 14.39 C ATOM 308 O ARG A 41 -1.277 17.473 50.332 1.00 16.04 O ATOM 309 CB ARG A 41 -0.516 15.848 53.072 1.00 16.30 C ATOM 310 CG ARG A 41 -2.027 16.165 53.227 1.00 19.38 C ATOM 311 CD ARG A 41 -2.389 16.301 54.721 1.00 20.78 C ATOM 312 NE ARG A 41 -1.466 17.227 55.390 1.00 22.81 N ATOM 313 CZ ARG A 41 -1.681 17.709 56.621 1.00 24.42 C ATOM 314 NH1 ARG A 41 -2.813 17.423 57.330 1.00 21.03 N ATOM 315 NH2 ARG A 41 -0.711 18.536 57.110 1.00 25.88 N ATOM 316 N TRP A 42 -0.524 15.347 50.094 1.00 13.76 N ATOM 317 CA TRP A 42 -1.266 15.078 48.889 1.00 14.26 C ATOM 318 C TRP A 42 -1.641 13.613 48.980 1.00 13.74 C ATOM 319 O TRP A 42 -0.940 12.830 49.640 1.00 12.71 O ATOM 320 CB TRP A 42 -0.413 15.315 47.610 1.00 13.40 C ATOM 321 CG TRP A 42 0.851 14.485 47.475 1.00 12.76 C ATOM 322 CD1 TRP A 42 2.031 15.080 47.753 1.00 14.44 C ATOM 323 CD2 TRP A 42 0.990 13.164 47.084 1.00 14.73 C ATOM 324 NE1 TRP A 42 2.939 14.158 47.540 1.00 15.02 N ATOM 325 CE2 TRP A 42 2.387 13.005 47.147 1.00 15.58 C ATOM 326 CE3 TRP A 42 0.200 12.079 46.676 1.00 14.36 C ATOM 327 CZ2 TRP A 42 3.026 11.792 46.817 1.00 14.65 C ATOM 328 CZ3 TRP A 42 0.828 10.876 46.334 1.00 15.54 C ATOM 329 CH2 TRP A 42 2.226 10.727 46.404 1.00 15.50 C ATOM 330 N LYS A 43 -2.719 13.226 48.312 1.00 14.19 N ATOM 331 CA LYS A 43 -3.158 11.817 48.329 1.00 12.84 C ATOM 332 C LYS A 43 -3.088 11.336 46.862 1.00 12.42 C ATOM 333 O LYS A 43 -3.452 12.130 45.978 1.00 12.34 O ATOM 334 CB LYS A 43 -4.606 11.703 48.846 1.00 12.38 C ATOM 335 CG LYS A 43 -4.981 12.560 50.063 1.00 11.97 C ATOM 336 CD LYS A 43 -6.404 13.078 49.838 1.00 10.32 C ATOM 337 CE LYS A 43 -6.925 13.996 50.947 1.00 10.88 C ATOM 338 NZ LYS A 43 -8.200 14.598 50.581 1.00 14.04 N ATOM 339 N PRO A 44 -2.592 10.140 46.508 1.00 12.49 N ATOM 340 CA PRO A 44 -2.888 9.480 45.225 1.00 12.29 C ATOM 341 C PRO A 44 -4.377 9.563 44.829 1.00 13.11 C ATOM 342 O PRO A 44 -5.228 9.400 45.727 1.00 14.64 O ATOM 343 CB PRO A 44 -2.410 8.052 45.446 1.00 11.14 C ATOM 344 CG PRO A 44 -1.291 8.151 46.459 1.00 9.73 C ATOM 345 CD PRO A 44 -1.821 9.253 47.384 1.00 12.32 C ATOM 346 N LYS A 45 -4.671 9.885 43.555 1.00 11.02 N ATOM 347 CA LYS A 45 -5.995 9.989 42.963 1.00 10.76 C ATOM 348 C LYS A 45 -5.789 9.557 41.508 1.00 12.36 C ATOM 349 O LYS A 45 -4.665 9.650 40.976 1.00 15.27 O ATOM 350 CB LYS A 45 -6.575 11.408 42.891 1.00 10.49 C ATOM 351 CG LYS A 45 -8.118 11.301 42.815 1.00 8.96 C ATOM 352 CD LYS A 45 -8.996 12.112 41.820 1.00 10.24 C ATOM 353 CE LYS A 45 -9.481 13.508 42.274 1.00 12.23 C ATOM 354 NZ LYS A 45 -10.592 13.977 41.447 1.00 14.48 N ATOM 355 N MET A 46 -6.760 9.042 40.762 1.00 12.65 N ATOM 356 CA MET A 46 -6.477 8.659 39.374 1.00 11.70 C ATOM 357 C MET A 46 -7.490 9.287 38.461 1.00 11.14 C ATOM 358 O MET A 46 -8.619 9.559 38.879 1.00 11.82 O ATOM 359 CB MET A 46 -6.529 7.150 39.204 1.00 14.43 C ATOM 360 CG MET A 46 -5.243 6.532 39.722 1.00 16.72 C ATOM 361 SD MET A 46 -5.172 4.729 39.742 1.00 19.41 S ATOM 362 CE MET A 46 -5.308 4.503 41.521 1.00 17.30 C ATOM 363 N ILE A 47 -7.136 9.573 37.225 1.00 11.01 N ATOM 364 CA ILE A 47 -8.073 10.184 36.315 1.00 9.00 C ATOM 365 C ILE A 47 -7.987 9.603 34.913 1.00 9.22 C ATOM 366 O ILE A 47 -6.963 9.102 34.423 1.00 7.96 O ATOM 367 CB ILE A 47 -7.870 11.751 36.225 1.00 9.89 C ATOM 368 CG1 ILE A 47 -6.389 12.101 36.117 1.00 9.37 C ATOM 369 CG2 ILE A 47 -8.544 12.430 37.441 1.00 12.26 C ATOM 370 CD1 ILE A 47 -6.153 13.552 35.668 1.00 9.22 C ATOM 371 N GLY A 48 -9.176 9.739 34.339 1.00 7.80 N ATOM 372 CA GLY A 48 -9.432 9.363 32.979 1.00 8.99 C ATOM 373 C GLY A 48 -9.513 10.587 32.080 1.00 6.73 C ATOM 374 O GLY A 48 -10.109 11.612 32.451 1.00 10.24 O ATOM 375 N GLY A 49 -8.873 10.479 30.947 1.00 4.83 N ATOM 376 CA GLY A 49 -8.852 11.459 29.875 1.00 6.46 C ATOM 377 C GLY A 49 -9.176 10.720 28.584 1.00 6.46 C ATOM 378 O GLY A 49 -9.565 9.551 28.727 1.00 7.11 O ATOM 379 N ILE A 50 -9.061 11.226 27.325 1.00 7.66 N ATOM 380 CA ILE A 50 -9.363 10.350 26.186 1.00 9.86 C ATOM 381 C ILE A 50 -8.390 9.171 26.049 1.00 10.74 C ATOM 382 O ILE A 50 -8.894 8.082 25.794 1.00 11.89 O ATOM 383 CB ILE A 50 -9.396 10.997 24.722 1.00 10.93 C ATOM 384 CG1 ILE A 50 -8.210 11.872 24.470 1.00 10.86 C ATOM 385 CG2 ILE A 50 -10.779 11.680 24.529 1.00 11.06 C ATOM 386 CD1 ILE A 50 -7.079 11.122 23.753 1.00 13.68 C ATOM 387 N GLY A 51 -7.071 9.310 26.249 1.00 9.46 N ATOM 388 CA GLY A 51 -6.149 8.214 26.072 1.00 10.79 C ATOM 389 C GLY A 51 -6.186 7.290 27.267 1.00 12.73 C ATOM 390 O GLY A 51 -5.516 6.268 27.247 1.00 14.69 O ATOM 391 N GLY A 52 -6.881 7.537 28.383 1.00 14.56 N ATOM 392 CA GLY A 52 -6.865 6.523 29.420 1.00 14.01 C ATOM 393 C GLY A 52 -6.617 7.063 30.787 1.00 12.33 C ATOM 394 O GLY A 52 -7.244 8.074 31.122 1.00 10.42 O ATOM 395 N PHE A 53 -5.723 6.419 31.568 1.00 11.45 N ATOM 396 CA PHE A 53 -5.622 6.849 32.973 1.00 12.04 C ATOM 397 C PHE A 53 -4.284 7.132 33.670 1.00 11.86 C ATOM 398 O PHE A 53 -3.346 6.319 33.735 1.00 12.12 O ATOM 399 CB PHE A 53 -6.363 5.867 33.886 1.00 11.82 C ATOM 400 CG PHE A 53 -7.858 5.541 33.693 1.00 12.21 C ATOM 401 CD1 PHE A 53 -8.345 4.917 32.511 1.00 12.62 C ATOM 402 CD2 PHE A 53 -8.756 5.834 34.732 1.00 13.42 C ATOM 403 CE1 PHE A 53 -9.704 4.593 32.383 1.00 12.81 C ATOM 404 CE2 PHE A 53 -10.123 5.505 34.590 1.00 13.55 C ATOM 405 CZ PHE A 53 -10.593 4.889 33.419 1.00 12.39 C ATOM 406 N ILE A 54 -4.168 8.344 34.210 1.00 12.18 N ATOM 407 CA ILE A 54 -2.938 8.701 34.907 1.00 10.88 C ATOM 408 C ILE A 54 -3.218 8.727 36.421 1.00 11.40 C ATOM 409 O ILE A 54 -4.382 8.796 36.856 1.00 11.84 O ATOM 410 CB ILE A 54 -2.358 10.098 34.392 1.00 9.99 C ATOM 411 CG1 ILE A 54 -3.214 11.348 34.648 1.00 9.78 C ATOM 412 CG2 ILE A 54 -2.118 9.850 32.918 1.00 7.00 C ATOM 413 CD1 ILE A 54 -2.503 12.673 34.217 1.00 6.43 C ATOM 414 N LYS A 55 -2.144 8.606 37.211 1.00 11.52 N ATOM 415 CA LYS A 55 -2.182 8.611 38.674 1.00 13.16 C ATOM 416 C LYS A 55 -1.684 10.002 38.931 1.00 11.88 C ATOM 417 O LYS A 55 -0.670 10.340 38.318 1.00 13.82 O ATOM 418 CB LYS A 55 -1.143 7.747 39.385 1.00 14.07 C ATOM 419 CG LYS A 55 -0.833 6.427 38.701 1.00 16.56 C ATOM 420 CD LYS A 55 -2.060 5.493 38.570 1.00 18.70 C ATOM 421 CE LYS A 55 -1.574 4.074 38.194 1.00 20.11 C ATOM 422 NZ LYS A 55 -0.735 4.054 36.991 1.00 19.01 N ATOM 423 N VAL A 56 -2.306 10.764 39.816 1.00 12.02 N ATOM 424 CA VAL A 56 -1.908 12.135 40.129 1.00 12.07 C ATOM 425 C VAL A 56 -1.990 12.273 41.625 1.00 11.94 C ATOM 426 O VAL A 56 -2.608 11.442 42.315 1.00 11.77 O ATOM 427 CB VAL A 56 -2.837 13.176 39.465 1.00 10.98 C ATOM 428 CG1 VAL A 56 -2.564 13.234 37.980 1.00 8.21 C ATOM 429 CG2 VAL A 56 -4.292 12.764 39.615 1.00 10.77 C ATOM 430 N ARG A 57 -1.357 13.326 42.126 1.00 11.28 N ATOM 431 CA ARG A 57 -1.348 13.538 43.546 1.00 10.03 C ATOM 432 C ARG A 57 -2.223 14.776 43.742 1.00 9.92 C ATOM 433 O ARG A 57 -2.163 15.763 43.013 1.00 10.41 O ATOM 434 CB ARG A 57 0.177 13.599 43.826 1.00 10.29 C ATOM 435 CG ARG A 57 0.868 14.915 43.991 1.00 11.58 C ATOM 436 CD ARG A 57 2.344 14.888 43.622 1.00 12.67 C ATOM 437 NE ARG A 57 3.241 14.014 44.357 1.00 10.97 N ATOM 438 CZ ARG A 57 4.332 14.519 44.960 1.00 15.54 C ATOM 439 NH1 ARG A 57 4.554 15.857 45.023 1.00 16.26 N ATOM 440 NH2 ARG A 57 5.192 13.693 45.597 1.00 13.96 N ATOM 441 N GLN A 58 -3.225 14.578 44.555 1.00 10.16 N ATOM 442 CA GLN A 58 -4.203 15.576 44.903 1.00 10.50 C ATOM 443 C GLN A 58 -3.821 16.551 46.013 1.00 10.17 C ATOM 444 O GLN A 58 -3.356 16.102 47.053 1.00 10.19 O ATOM 445 CB GLN A 58 -5.464 14.846 45.302 1.00 11.49 C ATOM 446 CG GLN A 58 -6.611 15.763 45.618 1.00 12.82 C ATOM 447 CD GLN A 58 -7.879 15.052 46.068 1.00 14.71 C ATOM 448 OE1 GLN A 58 -8.591 15.526 46.970 1.00 11.40 O ATOM 449 NE2 GLN A 58 -8.208 13.916 45.446 1.00 16.24 N ATOM 450 N TYR A 59 -3.915 17.850 45.859 1.00 8.58 N ATOM 451 CA TYR A 59 -3.585 18.749 46.940 1.00 7.70 C ATOM 452 C TYR A 59 -4.884 19.494 47.070 1.00 8.16 C ATOM 453 O TYR A 59 -5.498 19.872 46.062 1.00 7.52 O ATOM 454 CB TYR A 59 -2.519 19.807 46.639 1.00 6.95 C ATOM 455 CG TYR A 59 -1.149 19.231 46.516 1.00 8.28 C ATOM 456 CD1 TYR A 59 -0.814 18.655 45.293 1.00 8.85 C ATOM 457 CD2 TYR A 59 -0.241 19.254 47.583 1.00 9.99 C ATOM 458 CE1 TYR A 59 0.434 18.082 45.120 1.00 10.18 C ATOM 459 CE2 TYR A 59 1.024 18.667 47.412 1.00 12.88 C ATOM 460 CZ TYR A 59 1.346 18.090 46.166 1.00 13.61 C ATOM 461 OH TYR A 59 2.579 17.518 45.915 1.00 15.28 O ATOM 462 N ASP A 60 -5.327 19.673 48.306 1.00 9.35 N ATOM 463 CA ASP A 60 -6.561 20.393 48.527 1.00 11.85 C ATOM 464 C ASP A 60 -6.151 21.724 49.215 1.00 13.56 C ATOM 465 O ASP A 60 -4.997 21.946 49.629 1.00 14.61 O ATOM 466 CB ASP A 60 -7.500 19.523 49.394 1.00 15.42 C ATOM 467 CG ASP A 60 -7.713 18.028 49.010 1.00 17.94 C ATOM 468 OD1 ASP A 60 -6.823 17.343 48.495 1.00 18.85 O ATOM 469 OD2 ASP A 60 -8.781 17.473 49.297 1.00 22.65 O ATOM 470 N GLN A 61 -7.049 22.710 49.287 1.00 14.63 N ATOM 471 CA GLN A 61 -6.820 24.015 49.904 1.00 13.17 C ATOM 472 C GLN A 61 -5.810 24.859 49.167 1.00 12.22 C ATOM 473 O GLN A 61 -5.300 25.839 49.728 1.00 12.01 O ATOM 474 CB GLN A 61 -6.308 23.931 51.369 1.00 14.58 C ATOM 475 CG GLN A 61 -6.827 22.915 52.338 1.00 16.89 C ATOM 476 CD GLN A 61 -8.335 22.836 52.386 1.00 20.83 C ATOM 477 OE1 GLN A 61 -8.987 22.541 51.365 1.00 22.13 O ATOM 478 NE2 GLN A 61 -8.919 23.074 53.568 1.00 20.15 N ATOM 479 N ILE A 62 -5.548 24.565 47.894 1.00 12.88 N ATOM 480 CA ILE A 62 -4.566 25.367 47.182 1.00 11.75 C ATOM 481 C ILE A 62 -5.088 26.669 46.550 1.00 10.80 C ATOM 482 O ILE A 62 -6.128 26.695 45.873 1.00 11.22 O ATOM 483 CB ILE A 62 -3.901 24.492 46.107 1.00 10.80 C ATOM 484 CG1 ILE A 62 -3.376 23.186 46.735 1.00 12.54 C ATOM 485 CG2 ILE A 62 -2.798 25.345 45.403 1.00 12.97 C ATOM 486 CD1 ILE A 62 -2.415 23.242 47.969 1.00 10.29 C ATOM 487 N LEU A 63 -4.306 27.725 46.786 1.00 7.00 N ATOM 488 CA LEU A 63 -4.573 29.050 46.283 1.00 5.42 C ATOM 489 C LEU A 63 -3.937 29.242 44.921 1.00 4.72 C ATOM 490 O LEU A 63 -2.759 28.908 44.776 1.00 4.93 O ATOM 491 CB LEU A 63 -4.013 30.117 47.226 1.00 5.20 C ATOM 492 CG LEU A 63 -3.981 31.632 46.836 1.00 6.04 C ATOM 493 CD1 LEU A 63 -5.376 32.089 46.468 1.00 2.00 C ATOM 494 CD2 LEU A 63 -3.384 32.476 47.998 1.00 6.01 C ATOM 495 N ILE A 64 -4.722 29.762 43.951 1.00 6.89 N ATOM 496 CA ILE A 64 -4.338 30.063 42.560 1.00 5.17 C ATOM 497 C ILE A 64 -4.969 31.393 42.109 1.00 5.70 C ATOM 498 O ILE A 64 -6.142 31.727 42.292 1.00 2.04 O ATOM 499 CB ILE A 64 -4.801 29.008 41.423 1.00 6.70 C ATOM 500 CG1 ILE A 64 -3.998 27.735 41.390 1.00 7.31 C ATOM 501 CG2 ILE A 64 -4.522 29.590 39.998 1.00 9.03 C ATOM 502 CD1 ILE A 64 -4.221 26.796 40.140 1.00 3.12 C ATOM 503 N GLU A 65 -4.116 32.124 41.428 1.00 6.68 N ATOM 504 CA GLU A 65 -4.398 33.405 40.826 1.00 8.52 C ATOM 505 C GLU A 65 -4.658 33.080 39.344 1.00 9.89 C ATOM 506 O GLU A 65 -3.668 32.624 38.730 1.00 12.68 O ATOM 507 CB GLU A 65 -3.196 34.264 40.863 1.00 10.93 C ATOM 508 CG GLU A 65 -3.410 35.706 40.502 1.00 12.53 C ATOM 509 CD GLU A 65 -3.643 36.428 41.810 1.00 14.77 C ATOM 510 OE1 GLU A 65 -2.773 36.286 42.689 1.00 14.14 O ATOM 511 OE2 GLU A 65 -4.685 37.095 41.948 1.00 15.13 O ATOM 512 N ILE A 66 -5.869 33.136 38.760 1.00 8.22 N ATOM 513 CA ILE A 66 -6.169 32.874 37.332 1.00 7.80 C ATOM 514 C ILE A 66 -6.566 34.315 36.916 1.00 9.46 C ATOM 515 O ILE A 66 -7.509 34.888 37.489 1.00 9.44 O ATOM 516 CB ILE A 66 -7.373 31.902 37.160 1.00 6.22 C ATOM 517 CG1 ILE A 66 -7.168 30.563 37.856 1.00 3.13 C ATOM 518 CG2 ILE A 66 -7.597 31.728 35.662 1.00 7.62 C ATOM 519 CD1 ILE A 66 -8.464 29.710 37.818 1.00 3.11 C ATOM 520 N CYS A 67 -5.950 34.991 35.931 1.00 11.45 N ATOM 521 CA CYS A 67 -6.295 36.388 35.570 1.00 12.47 C ATOM 522 C CYS A 67 -6.468 37.357 36.778 1.00 12.46 C ATOM 523 O CYS A 67 -7.486 38.042 36.943 1.00 12.40 O ATOM 524 CB CYS A 67 -7.560 36.445 34.764 1.00 12.54 C ATOM 525 SG CYS A 67 -7.066 36.172 33.071 1.00 18.44 S ATOM 526 N GLY A 68 -5.495 37.414 37.689 1.00 11.94 N ATOM 527 CA GLY A 68 -5.628 38.250 38.877 1.00 13.13 C ATOM 528 C GLY A 68 -6.831 37.799 39.746 1.00 14.89 C ATOM 529 O GLY A 68 -7.222 38.478 40.713 1.00 16.54 O ATOM 530 N HIS A 69 -7.457 36.646 39.489 1.00 12.83 N ATOM 531 CA HIS A 69 -8.641 36.346 40.237 1.00 12.05 C ATOM 532 C HIS A 69 -8.191 35.108 40.898 1.00 11.63 C ATOM 533 O HIS A 69 -7.846 34.110 40.239 1.00 10.29 O ATOM 534 CB HIS A 69 -9.830 35.961 39.432 1.00 14.07 C ATOM 535 CG HIS A 69 -10.140 36.908 38.313 1.00 16.41 C ATOM 536 ND1 HIS A 69 -9.781 36.724 37.053 1.00 17.27 N ATOM 537 CD2 HIS A 69 -10.860 38.077 38.412 1.00 18.47 C ATOM 538 CE1 HIS A 69 -10.251 37.736 36.364 1.00 17.81 C ATOM 539 NE2 HIS A 69 -10.898 38.543 37.181 1.00 19.74 N ATOM 540 N LYS A 70 -8.098 35.272 42.197 1.00 9.86 N ATOM 541 CA LYS A 70 -7.691 34.153 42.979 1.00 9.86 C ATOM 542 C LYS A 70 -8.987 33.422 43.439 1.00 9.67 C ATOM 543 O LYS A 70 -10.118 33.940 43.536 1.00 7.56 O ATOM 544 CB LYS A 70 -6.802 34.690 44.103 1.00 10.36 C ATOM 545 CG LYS A 70 -7.421 35.746 44.978 1.00 10.94 C ATOM 546 CD LYS A 70 -6.262 36.337 45.736 1.00 14.29 C ATOM 547 CE LYS A 70 -6.562 37.642 46.515 1.00 12.84 C ATOM 548 NZ LYS A 70 -5.296 38.091 47.076 1.00 11.48 N ATOM 549 N ALA A 71 -8.748 32.130 43.444 1.00 7.53 N ATOM 550 CA ALA A 71 -9.662 31.103 43.801 1.00 7.45 C ATOM 551 C ALA A 71 -8.806 30.064 44.563 1.00 9.75 C ATOM 552 O ALA A 71 -7.559 30.122 44.629 1.00 9.87 O ATOM 553 CB ALA A 71 -10.266 30.568 42.518 1.00 8.87 C ATOM 554 N ILE A 72 -9.513 29.145 45.246 1.00 10.67 N ATOM 555 CA ILE A 72 -8.946 28.078 46.065 1.00 10.29 C ATOM 556 C ILE A 72 -9.594 26.749 45.738 1.00 9.18 C ATOM 557 O ILE A 72 -10.801 26.702 45.529 1.00 8.20 O ATOM 558 CB ILE A 72 -9.189 28.258 47.567 1.00 11.31 C ATOM 559 CG1 ILE A 72 -8.716 29.585 48.010 1.00 14.33 C ATOM 560 CG2 ILE A 72 -8.400 27.194 48.377 1.00 12.54 C ATOM 561 CD1 ILE A 72 -9.137 29.721 49.497 1.00 16.13 C ATOM 562 N GLY A 73 -8.781 25.715 45.724 1.00 7.21 N ATOM 563 CA GLY A 73 -9.265 24.397 45.571 1.00 4.63 C ATOM 564 C GLY A 73 -8.135 23.438 45.372 1.00 5.25 C ATOM 565 O GLY A 73 -6.939 23.676 45.516 1.00 5.49 O ATOM 566 N THR A 74 -8.730 22.308 45.086 1.00 6.23 N ATOM 567 CA THR A 74 -8.102 21.079 44.709 1.00 5.26 C ATOM 568 C THR A 74 -7.457 21.257 43.340 1.00 5.73 C ATOM 569 O THR A 74 -8.084 21.698 42.375 1.00 3.71 O ATOM 570 CB THR A 74 -9.228 19.985 44.744 1.00 7.11 C ATOM 571 OG1 THR A 74 -9.854 20.164 46.020 1.00 8.03 O ATOM 572 CG2 THR A 74 -8.748 18.558 44.577 1.00 5.27 C ATOM 573 N VAL A 75 -6.191 20.874 43.364 1.00 5.15 N ATOM 574 CA VAL A 75 -5.261 20.886 42.289 1.00 4.68 C ATOM 575 C VAL A 75 -4.704 19.469 42.271 1.00 5.15 C ATOM 576 O VAL A 75 -4.445 18.911 43.328 1.00 2.19 O ATOM 577 CB VAL A 75 -4.209 21.974 42.627 1.00 6.34 C ATOM 578 CG1 VAL A 75 -2.892 21.828 41.882 1.00 4.51 C ATOM 579 CG2 VAL A 75 -4.855 23.320 42.236 1.00 8.14 C ATOM 580 N LEU A 76 -4.632 18.853 41.085 1.00 5.81 N ATOM 581 CA LEU A 76 -4.114 17.516 40.886 1.00 6.79 C ATOM 582 C LEU A 76 -2.827 17.705 40.099 1.00 7.86 C ATOM 583 O LEU A 76 -2.803 18.392 39.066 1.00 9.27 O ATOM 584 CB LEU A 76 -5.060 16.618 40.060 1.00 4.81 C ATOM 585 CG LEU A 76 -6.498 16.342 40.527 1.00 6.17 C ATOM 586 CD1 LEU A 76 -7.066 15.112 39.788 1.00 7.32 C ATOM 587 CD2 LEU A 76 -6.518 16.028 42.015 1.00 2.03 C ATOM 588 N VAL A 77 -1.738 17.166 40.599 1.00 7.59 N ATOM 589 CA VAL A 77 -0.457 17.281 39.928 1.00 8.53 C ATOM 590 C VAL A 77 -0.012 15.919 39.372 1.00 9.17 C ATOM 591 O VAL A 77 -0.036 14.873 40.053 1.00 9.43 O ATOM 592 CB VAL A 77 0.618 17.850 40.901 1.00 7.34 C ATOM 593 CG1 VAL A 77 2.060 17.563 40.478 1.00 7.24 C ATOM 594 CG2 VAL A 77 0.464 19.360 40.881 1.00 7.51 C ATOM 595 N GLY A 78 0.359 15.965 38.094 1.00 7.95 N ATOM 596 CA GLY A 78 0.950 14.811 37.513 1.00 8.79 C ATOM 597 C GLY A 78 1.276 15.015 36.056 1.00 10.49 C ATOM 598 O GLY A 78 1.505 16.138 35.584 1.00 11.77 O ATOM 599 N PRO A 79 1.294 13.882 35.330 1.00 10.59 N ATOM 600 CA PRO A 79 1.901 13.765 34.017 1.00 10.88 C ATOM 601 C PRO A 79 1.019 14.216 32.839 1.00 11.63 C ATOM 602 O PRO A 79 0.879 13.498 31.837 1.00 10.56 O ATOM 603 CB PRO A 79 2.288 12.327 34.059 1.00 10.75 C ATOM 604 CG PRO A 79 1.069 11.689 34.632 1.00 9.55 C ATOM 605 CD PRO A 79 0.850 12.579 35.814 1.00 8.81 C ATOM 606 N THR A 80 0.409 15.406 32.997 1.00 10.34 N ATOM 607 CA THR A 80 -0.448 15.948 31.975 1.00 10.48 C ATOM 608 C THR A 80 0.454 16.577 30.926 1.00 10.25 C ATOM 609 O THR A 80 1.480 17.142 31.297 1.00 11.22 O ATOM 610 CB THR A 80 -1.462 17.004 32.607 1.00 11.72 C ATOM 611 OG1 THR A 80 -2.372 17.410 31.567 1.00 7.38 O ATOM 612 CG2 THR A 80 -0.736 18.147 33.301 1.00 5.75 C ATOM 613 N PRO A 81 0.135 16.501 29.623 1.00 10.81 N ATOM 614 CA PRO A 81 0.734 17.329 28.571 1.00 10.11 C ATOM 615 C PRO A 81 0.651 18.851 28.827 1.00 10.61 C ATOM 616 O PRO A 81 1.673 19.510 28.745 1.00 9.52 O ATOM 617 CB PRO A 81 0.004 16.903 27.325 1.00 8.77 C ATOM 618 CG PRO A 81 -0.335 15.487 27.612 1.00 9.57 C ATOM 619 CD PRO A 81 -0.805 15.543 29.045 1.00 11.72 C ATOM 620 N VAL A 82 -0.522 19.467 29.115 1.00 9.59 N ATOM 621 CA VAL A 82 -0.589 20.906 29.356 1.00 6.78 C ATOM 622 C VAL A 82 -1.261 21.173 30.715 1.00 6.04 C ATOM 623 O VAL A 82 -1.877 20.267 31.257 1.00 6.40 O ATOM 624 CB VAL A 82 -1.357 21.675 28.160 1.00 6.83 C ATOM 625 CG1 VAL A 82 -1.256 20.904 26.840 1.00 9.52 C ATOM 626 CG2 VAL A 82 -2.835 21.854 28.436 1.00 10.02 C ATOM 627 N ASN A 83 -1.131 22.379 31.293 1.00 5.42 N ATOM 628 CA ASN A 83 -1.733 22.776 32.574 1.00 6.54 C ATOM 629 C ASN A 83 -3.168 23.005 32.165 1.00 6.90 C ATOM 630 O ASN A 83 -3.438 23.726 31.194 1.00 8.98 O ATOM 631 CB ASN A 83 -1.202 24.093 33.116 1.00 4.75 C ATOM 632 CG ASN A 83 0.253 23.950 33.419 1.00 7.30 C ATOM 633 OD1 ASN A 83 0.679 22.922 33.937 1.00 5.52 O ATOM 634 ND2 ASN A 83 1.062 24.936 33.099 1.00 5.85 N ATOM 635 N ILE A 84 -4.058 22.384 32.906 1.00 7.57 N ATOM 636 CA ILE A 84 -5.476 22.430 32.678 1.00 7.31 C ATOM 637 C ILE A 84 -6.221 23.057 33.839 1.00 6.88 C ATOM 638 O ILE A 84 -5.880 22.747 34.977 1.00 5.98 O ATOM 639 CB ILE A 84 -5.883 20.925 32.398 1.00 7.06 C ATOM 640 CG1 ILE A 84 -5.435 20.541 30.970 1.00 9.07 C ATOM 641 CG2 ILE A 84 -7.374 20.685 32.605 1.00 6.41 C ATOM 642 CD1 ILE A 84 -6.010 21.472 29.886 1.00 13.61 C ATOM 643 N ILE A 85 -7.228 23.887 33.569 1.00 6.40 N ATOM 644 CA ILE A 85 -8.018 24.518 34.615 1.00 6.64 C ATOM 645 C ILE A 85 -9.428 23.948 34.411 1.00 6.32 C ATOM 646 O ILE A 85 -10.098 24.256 33.422 1.00 6.70 O ATOM 647 CB ILE A 85 -8.098 26.075 34.506 1.00 5.97 C ATOM 648 CG1 ILE A 85 -6.705 26.702 34.428 1.00 4.45 C ATOM 649 CG2 ILE A 85 -8.803 26.621 35.781 1.00 6.07 C ATOM 650 CD1 ILE A 85 -5.826 26.513 35.698 1.00 3.84 C ATOM 651 N GLY A 86 -9.837 23.107 35.350 1.00 5.48 N ATOM 652 CA GLY A 86 -11.112 22.457 35.303 1.00 4.60 C ATOM 653 C GLY A 86 -12.208 23.309 35.913 1.00 4.96 C ATOM 654 O GLY A 86 -12.020 24.394 36.480 1.00 4.24 O ATOM 655 N ARG A 87 -13.394 22.716 35.803 1.00 6.01 N ATOM 656 CA ARG A 87 -14.643 23.292 36.234 1.00 6.21 C ATOM 657 C ARG A 87 -14.652 23.517 37.730 1.00 5.41 C ATOM 658 O ARG A 87 -15.370 24.408 38.156 1.00 6.37 O ATOM 659 CB ARG A 87 -15.818 22.414 35.848 1.00 6.31 C ATOM 660 CG ARG A 87 -16.350 22.624 34.448 1.00 7.03 C ATOM 661 CD ARG A 87 -17.736 21.957 34.272 1.00 10.76 C ATOM 662 NE ARG A 87 -17.772 20.543 34.626 1.00 9.13 N ATOM 663 CZ ARG A 87 -18.338 20.003 35.722 1.00 7.18 C ATOM 664 NH1 ARG A 87 -19.006 20.704 36.634 1.00 4.61 N ATOM 665 NH2 ARG A 87 -18.258 18.689 35.864 1.00 2.94 N ATOM 666 N ASN A 88 -13.857 22.828 38.545 1.00 6.29 N ATOM 667 CA ASN A 88 -13.834 23.066 39.985 1.00 5.01 C ATOM 668 C ASN A 88 -13.261 24.471 40.264 1.00 6.08 C ATOM 669 O ASN A 88 -13.549 25.040 41.300 1.00 4.78 O ATOM 670 CB ASN A 88 -12.964 22.089 40.705 1.00 2.90 C ATOM 671 CG ASN A 88 -11.492 22.186 40.353 1.00 4.40 C ATOM 672 OD1 ASN A 88 -11.157 22.246 39.166 1.00 8.58 O ATOM 673 ND2 ASN A 88 -10.566 22.184 41.289 1.00 2.00 N ATOM 674 N LEU A 89 -12.399 25.042 39.399 1.00 6.41 N ATOM 675 CA LEU A 89 -11.877 26.367 39.652 1.00 5.64 C ATOM 676 C LEU A 89 -12.548 27.418 38.749 1.00 6.34 C ATOM 677 O LEU A 89 -12.733 28.583 39.135 1.00 7.56 O ATOM 678 CB LEU A 89 -10.341 26.304 39.483 1.00 2.96 C ATOM 679 CG LEU A 89 -9.565 25.502 40.590 1.00 7.03 C ATOM 680 CD1 LEU A 89 -8.099 25.416 40.202 1.00 6.63 C ATOM 681 CD2 LEU A 89 -9.676 26.163 41.982 1.00 4.93 C ATOM 682 N LEU A 90 -13.059 26.985 37.590 1.00 5.02 N ATOM 683 CA LEU A 90 -13.706 27.857 36.635 1.00 5.29 C ATOM 684 C LEU A 90 -14.990 28.471 37.186 1.00 7.95 C ATOM 685 O LEU A 90 -15.259 29.686 37.042 1.00 8.69 O ATOM 686 CB LEU A 90 -13.962 27.065 35.341 1.00 2.40 C ATOM 687 CG LEU A 90 -12.722 26.732 34.492 1.00 2.77 C ATOM 688 CD1 LEU A 90 -13.072 25.684 33.478 1.00 3.35 C ATOM 689 CD2 LEU A 90 -12.207 27.959 33.776 1.00 2.98 C ATOM 690 N THR A 91 -15.760 27.635 37.884 1.00 8.68 N ATOM 691 CA THR A 91 -16.990 28.149 38.467 1.00 11.53 C ATOM 692 C THR A 91 -16.625 29.252 39.467 1.00 11.69 C ATOM 693 O THR A 91 -17.264 30.312 39.409 1.00 14.16 O ATOM 694 CB THR A 91 -17.812 27.076 39.224 1.00 9.75 C ATOM 695 OG1 THR A 91 -16.924 26.214 39.923 1.00 12.04 O ATOM 696 CG2 THR A 91 -18.654 26.308 38.283 1.00 8.58 C ATOM 697 N GLN A 92 -15.507 29.068 40.210 1.00 10.96 N ATOM 698 CA GLN A 92 -15.086 30.049 41.196 1.00 10.62 C ATOM 699 C GLN A 92 -14.727 31.407 40.680 1.00 10.84 C ATOM 700 O GLN A 92 -14.928 32.383 41.409 1.00 8.99 O ATOM 701 CB GLN A 92 -13.920 29.563 42.006 1.00 9.82 C ATOM 702 CG GLN A 92 -14.413 28.623 43.084 1.00 11.94 C ATOM 703 CD GLN A 92 -13.334 28.064 44.012 1.00 15.94 C ATOM 704 OE1 GLN A 92 -13.287 26.868 44.332 1.00 16.80 O ATOM 705 NE2 GLN A 92 -12.452 28.906 44.545 1.00 15.32 N ATOM 706 N ILE A 93 -14.264 31.487 39.425 1.00 10.80 N ATOM 707 CA ILE A 93 -13.912 32.789 38.880 1.00 9.49 C ATOM 708 C ILE A 93 -15.026 33.404 38.014 1.00 9.78 C ATOM 709 O ILE A 93 -14.898 34.470 37.376 1.00 9.90 O ATOM 710 CB ILE A 93 -12.585 32.683 38.092 1.00 7.62 C ATOM 711 CG1 ILE A 93 -12.604 31.768 36.870 1.00 8.16 C ATOM 712 CG2 ILE A 93 -11.592 32.204 39.131 1.00 10.21 C ATOM 713 CD1 ILE A 93 -11.545 32.123 35.825 1.00 7.94 C ATOM 714 N GLY A 94 -16.175 32.736 38.057 1.00 9.37 N ATOM 715 CA GLY A 94 -17.336 33.203 37.346 1.00 7.34 C ATOM 716 C GLY A 94 -17.201 32.831 35.880 1.00 10.40 C ATOM 717 O GLY A 94 -17.510 33.655 35.021 1.00 12.74 O ATOM 718 N CYS A 95 -16.729 31.649 35.503 1.00 9.24 N ATOM 719 CA CYS A 95 -16.646 31.367 34.101 1.00 9.25 C ATOM 720 C CYS A 95 -17.948 30.779 33.504 1.00 9.34 C ATOM 721 O CYS A 95 -18.639 29.951 34.118 1.00 11.44 O ATOM 722 CB CYS A 95 -15.470 30.454 33.926 1.00 7.76 C ATOM 723 SG CYS A 95 -14.963 30.446 32.199 1.00 9.34 S ATOM 724 N THR A 96 -18.336 31.239 32.312 1.00 8.58 N ATOM 725 CA THR A 96 -19.523 30.809 31.578 1.00 7.95 C ATOM 726 C THR A 96 -19.180 30.722 30.087 1.00 8.53 C ATOM 727 O THR A 96 -18.355 31.494 29.542 1.00 7.21 O ATOM 728 CB THR A 96 -20.701 31.800 31.669 1.00 9.19 C ATOM 729 OG1 THR A 96 -20.188 33.116 31.433 1.00 8.52 O ATOM 730 CG2 THR A 96 -21.418 31.689 32.986 1.00 12.91 C ATOM 731 N LEU A 97 -19.809 29.753 29.442 1.00 6.20 N ATOM 732 CA LEU A 97 -19.599 29.582 28.028 1.00 8.35 C ATOM 733 C LEU A 97 -20.846 30.324 27.484 1.00 9.66 C ATOM 734 O LEU A 97 -21.933 30.451 28.123 1.00 9.18 O ATOM 735 CB LEU A 97 -19.521 28.087 27.817 1.00 9.63 C ATOM 736 CG LEU A 97 -18.865 27.348 26.623 1.00 10.13 C ATOM 737 CD1 LEU A 97 -17.366 27.538 26.438 1.00 11.08 C ATOM 738 CD2 LEU A 97 -19.118 25.872 26.935 1.00 10.61 C ATOM 739 N ASN A 98 -20.664 30.936 26.320 1.00 7.73 N ATOM 740 CA ASN A 98 -21.715 31.695 25.697 1.00 8.32 C ATOM 741 C ASN A 98 -21.816 31.553 24.226 1.00 8.41 C ATOM 742 O ASN A 98 -20.760 31.364 23.644 1.00 8.11 O ATOM 743 CB ASN A 98 -21.511 33.126 25.988 1.00 11.91 C ATOM 744 CG ASN A 98 -21.914 33.389 27.409 1.00 12.59 C ATOM 745 OD1 ASN A 98 -23.116 33.385 27.644 1.00 15.12 O ATOM 746 ND2 ASN A 98 -21.009 33.535 28.386 1.00 14.25 N ATOM 747 N PHE A 99 -22.991 31.556 23.582 1.00 8.04 N ATOM 748 CA PHE A 99 -23.073 31.431 22.129 1.00 8.06 C ATOM 749 C PHE A 99 -24.369 31.767 21.430 1.00 9.93 C ATOM 750 O PHE A 99 -24.256 32.123 20.250 1.00 16.22 O ATOM 751 CB PHE A 99 -22.726 30.016 21.596 1.00 9.80 C ATOM 752 CG PHE A 99 -23.443 28.822 22.179 1.00 10.27 C ATOM 753 CD1 PHE A 99 -22.968 28.242 23.374 1.00 13.74 C ATOM 754 CD2 PHE A 99 -24.560 28.296 21.510 1.00 11.34 C ATOM 755 CE1 PHE A 99 -23.615 27.123 23.911 1.00 11.72 C ATOM 756 CE2 PHE A 99 -25.196 27.172 22.053 1.00 13.92 C ATOM 757 CZ PHE A 99 -24.722 26.593 23.249 1.00 13.77 C ATOM 758 OXT PHE A 99 -25.458 31.628 21.995 1.00 8.66 O TER 759 PHE A 99 END