HEADER HYDROLASE 27-OCT-06 2NPH TITLE CRYSTAL STRUCTURE OF HIV1 PROTEASE IN SITU PRODUCT COMPLEX COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTEASE RETROPEPSIN; COMPND 3 CHAIN: A; ATOM 1 N PRO A 1 -7.421 15.095 5.006 1.00 51.21 N ATOM 2 CA PRO A 1 -6.562 16.302 4.981 1.00 49.97 C ATOM 3 C PRO A 1 -5.116 15.996 4.560 1.00 48.82 C ATOM 4 O PRO A 1 -4.610 16.514 3.555 1.00 48.76 O ATOM 5 CB PRO A 1 -6.581 16.871 6.386 1.00 49.31 C ATOM 6 CG PRO A 1 -6.762 15.601 7.197 1.00 51.89 C ATOM 7 CD PRO A 1 -7.731 14.725 6.397 1.00 50.49 C ATOM 8 N GLN A 2 -4.462 15.143 5.337 1.00 46.73 N ATOM 9 CA GLN A 2 -3.077 14.814 5.099 1.00 45.16 C ATOM 10 C GLN A 2 -2.760 13.586 5.932 1.00 42.94 C ATOM 11 O GLN A 2 -3.341 13.384 6.982 1.00 41.02 O ATOM 12 CB GLN A 2 -2.147 15.969 5.551 1.00 47.09 C ATOM 13 CG GLN A 2 -0.649 15.657 5.268 1.00 49.01 C ATOM 14 CD GLN A 2 0.336 16.687 5.845 1.00 51.11 C ATOM 15 OE1 GLN A 2 0.438 16.842 7.061 1.00 53.61 O ATOM 16 NE2 GLN A 2 1.080 17.377 4.966 1.00 50.17 N ATOM 17 N VAL A 3 -1.830 12.782 5.458 1.00 41.86 N ATOM 18 CA VAL A 3 -1.438 11.587 6.190 1.00 40.57 C ATOM 19 C VAL A 3 0.029 11.234 5.915 1.00 39.55 C ATOM 20 O VAL A 3 0.474 11.302 4.757 1.00 38.34 O ATOM 21 CB VAL A 3 -2.311 10.397 5.798 1.00 42.74 C ATOM 22 CG1 VAL A 3 -2.307 10.226 4.296 1.00 45.78 C ATOM 23 CG2 VAL A 3 -1.801 9.141 6.466 1.00 43.76 C ATOM 24 N THR A 4 0.780 10.906 6.970 1.00 37.24 N ATOM 25 CA THR A 4 2.197 10.494 6.843 1.00 35.74 C ATOM 26 C THR A 4 2.219 8.965 6.650 1.00 32.56 C ATOM 27 O THR A 4 1.221 8.318 6.859 1.00 31.62 O ATOM 28 CB THR A 4 3.022 10.802 8.115 1.00 36.41 C ATOM 29 OG1 THR A 4 2.256 10.446 9.269 1.00 40.78 O ATOM 30 CG2 THR A 4 3.400 12.276 8.187 1.00 37.80 C ATOM 31 N LEU A 5 3.387 8.418 6.327 1.00 28.84 N ATOM 32 CA LEU A 5 3.532 7.010 5.982 1.00 26.71 C ATOM 33 C LEU A 5 4.304 6.126 6.921 1.00 25.43 C ATOM 34 O LEU A 5 4.813 5.021 6.579 1.00 23.80 O ATOM 35 CB LEU A 5 4.157 6.940 4.586 1.00 26.06 C ATOM 36 CG LEU A 5 3.263 7.663 3.594 1.00 23.93 C ATOM 37 CD1 LEU A 5 4.056 7.987 2.304 1.00 24.73 C ATOM 38 CD2 LEU A 5 2.033 6.778 3.261 1.00 24.95 C ATOM 39 N TRP A 6 4.349 6.579 8.174 1.00 26.17 N ATOM 40 CA TRP A 6 5.042 5.819 9.155 1.00 25.13 C ATOM 41 C TRP A 6 4.310 4.504 9.426 1.00 26.06 C ATOM 42 O TRP A 6 4.875 3.559 9.976 1.00 27.09 O ATOM 43 CB TRP A 6 5.183 6.692 10.430 1.00 25.96 C ATOM 44 CG TRP A 6 5.989 7.986 10.153 1.00 22.15 C ATOM 45 CD1 TRP A 6 5.504 9.211 9.840 1.00 28.61 C ATOM 46 CD2 TRP A 6 7.404 8.092 10.094 1.00 26.54 C ATOM 47 NE1 TRP A 6 6.547 10.102 9.587 1.00 28.10 N ATOM 48 CE2 TRP A 6 7.734 9.420 9.718 1.00 31.28 C ATOM 49 CE3 TRP A 6 8.449 7.185 10.291 1.00 27.20 C ATOM 50 CZ2 TRP A 6 9.060 9.872 9.554 1.00 32.12 C ATOM 51 CZ3 TRP A 6 9.775 7.624 10.142 1.00 31.13 C ATOM 52 CH2 TRP A 6 10.063 8.952 9.767 1.00 34.87 C ATOM 53 N GLN A 7 3.023 4.461 9.083 1.00 25.65 N ATOM 54 CA GLN A 7 2.218 3.272 9.287 1.00 24.59 C ATOM 55 C GLN A 7 1.472 3.101 7.971 1.00 21.25 C ATOM 56 O GLN A 7 1.437 4.032 7.190 1.00 22.87 O ATOM 57 CB GLN A 7 1.150 3.490 10.407 1.00 27.66 C ATOM 58 CG GLN A 7 1.680 3.719 11.826 1.00 31.27 C ATOM 59 CD GLN A 7 2.443 2.579 12.429 1.00 37.10 C ATOM 60 OE1 GLN A 7 3.323 2.787 13.297 1.00 36.65 O ATOM 61 NE2 GLN A 7 2.136 1.363 11.994 1.00 40.08 N ATOM 62 N ARG A 8 0.909 1.923 7.744 1.00 22.18 N ATOM 63 CA ARG A 8 0.084 1.716 6.510 1.00 24.62 C ATOM 64 C ARG A 8 -1.074 2.707 6.506 1.00 24.83 C ATOM 65 O ARG A 8 -1.787 2.853 7.548 1.00 22.32 O ATOM 66 CB ARG A 8 -0.513 0.334 6.473 1.00 23.80 C ATOM 67 CG ARG A 8 0.476 -0.790 6.431 1.00 34.18 C ATOM 68 CD ARG A 8 -0.175 -2.054 5.882 1.00 35.66 C ATOM 69 NE ARG A 8 0.795 -3.142 5.822 1.00 40.97 N ATOM 70 CZ ARG A 8 0.630 -4.276 5.134 1.00 42.56 C ATOM 71 NH1 ARG A 8 -0.478 -4.506 4.407 1.00 44.25 N ATOM 72 NH2 ARG A 8 1.581 -5.190 5.188 1.00 41.33 N ATOM 73 N PRO A 9 -1.300 3.396 5.364 1.00 23.57 N ATOM 74 CA PRO A 9 -2.334 4.395 5.124 1.00 22.46 C ATOM 75 C PRO A 9 -3.663 3.720 4.930 1.00 23.97 C ATOM 76 O PRO A 9 -4.158 3.555 3.811 1.00 21.02 O ATOM 77 CB PRO A 9 -1.845 5.120 3.859 1.00 23.62 C ATOM 78 CG PRO A 9 -1.136 4.047 3.152 1.00 24.72 C ATOM 79 CD PRO A 9 -0.313 3.448 4.262 1.00 26.93 C ATOM 80 N LEU A 10 -4.218 3.297 6.062 1.00 23.12 N ATOM 81 CA LEU A 10 -5.511 2.594 6.075 1.00 25.08 C ATOM 82 C LEU A 10 -6.614 3.585 6.231 1.00 24.88 C ATOM 83 O LEU A 10 -6.475 4.583 6.958 1.00 27.23 O ATOM 84 CB LEU A 10 -5.541 1.575 7.216 1.00 28.61 C ATOM 85 CG LEU A 10 -4.731 0.294 6.999 1.00 33.23 C ATOM 86 CD1 LEU A 10 -4.942 -0.655 8.154 1.00 39.38 C ATOM 87 CD2 LEU A 10 -5.161 -0.385 5.721 1.00 37.14 C ATOM 88 N VAL A 11 -7.699 3.362 5.497 1.00 22.24 N ATOM 89 CA VAL A 11 -8.835 4.254 5.613 1.00 22.41 C ATOM 90 C VAL A 11 -10.077 3.359 5.654 1.00 21.14 C ATOM 91 O VAL A 11 -10.064 2.140 5.318 1.00 20.69 O ATOM 92 CB VAL A 11 -9.006 5.240 4.440 1.00 23.91 C ATOM 93 CG1 VAL A 11 -7.789 6.181 4.380 1.00 27.60 C ATOM 94 CG2 VAL A 11 -9.148 4.495 3.131 1.00 22.52 C ATOM 95 N THR A 12 -11.130 3.966 6.158 1.00 21.90 N ATOM 96 CA THR A 12 -12.404 3.303 6.226 1.00 20.62 C ATOM 97 C THR A 12 -13.181 3.644 4.946 1.00 21.41 C ATOM 98 O THR A 12 -13.242 4.804 4.504 1.00 22.11 O ATOM 99 CB THR A 12 -13.178 3.793 7.567 1.00 19.46 C ATOM 100 OG1 THR A 12 -12.481 3.370 8.732 1.00 25.26 O ATOM 101 CG2 THR A 12 -14.599 3.202 7.624 1.00 25.69 C ATOM 102 N ILE A 13 -13.757 2.639 4.292 1.00 18.78 N ATOM 103 CA ILE A 13 -14.594 2.878 3.117 1.00 19.57 C ATOM 104 C ILE A 13 -15.962 2.296 3.287 1.00 19.78 C ATOM 105 O ILE A 13 -16.154 1.351 4.092 1.00 18.95 O ATOM 106 CB ILE A 13 -14.026 2.278 1.859 1.00 18.71 C ATOM 107 CG1 ILE A 13 -13.918 0.766 2.007 1.00 20.58 C ATOM 108 CG2 ILE A 13 -12.658 2.874 1.664 1.00 20.11 C ATOM 109 CD1 ILE A 13 -13.437 0.048 0.706 1.00 21.94 C ATOM 110 N LYS A 14 -16.911 2.893 2.588 1.00 18.44 N ATOM 111 CA LYS A 14 -18.282 2.351 2.615 1.00 18.91 C ATOM 112 C LYS A 14 -18.547 2.062 1.157 1.00 20.84 C ATOM 113 O LYS A 14 -18.375 2.943 0.284 1.00 21.36 O ATOM 114 CB LYS A 14 -19.297 3.381 3.147 1.00 22.03 C ATOM 115 CG LYS A 14 -20.747 2.749 3.240 1.00 21.94 C ATOM 116 CD LYS A 14 -21.776 3.761 3.717 1.00 26.04 C ATOM 117 CE LYS A 14 -23.120 3.097 4.030 1.00 30.20 C ATOM 118 NZ LYS A 14 -24.104 4.208 4.341 1.00 31.23 N ATOM 119 N ILE A 15 -18.965 0.836 0.885 1.00 16.91 N ATOM 120 CA ILE A 15 -19.231 0.415 -0.461 1.00 21.13 C ATOM 121 C ILE A 15 -20.257 -0.700 -0.444 1.00 22.58 C ATOM 122 O ILE A 15 -20.204 -1.619 0.412 1.00 22.73 O ATOM 123 CB ILE A 15 -17.898 -0.051 -1.158 1.00 22.64 C ATOM 124 CG1 ILE A 15 -18.233 -0.445 -2.615 1.00 28.40 C ATOM 125 CG2 ILE A 15 -17.243 -1.204 -0.314 1.00 24.39 C ATOM 126 CD1 ILE A 15 -17.070 -0.983 -3.465 1.00 27.71 C ATOM 127 N GLY A 16 -21.241 -0.620 -1.345 1.00 23.38 N ATOM 128 CA GLY A 16 -22.295 -1.642 -1.358 1.00 23.71 C ATOM 129 C GLY A 16 -23.008 -1.772 -0.015 1.00 22.53 C ATOM 130 O GLY A 16 -23.472 -2.881 0.327 1.00 22.60 O ATOM 131 N GLY A 17 -23.120 -0.651 0.697 1.00 20.17 N ATOM 132 CA GLY A 17 -23.740 -0.603 2.027 1.00 20.77 C ATOM 133 C GLY A 17 -22.895 -1.169 3.181 1.00 18.69 C ATOM 134 O GLY A 17 -23.335 -1.206 4.332 1.00 18.07 O ATOM 135 N GLN A 18 -21.687 -1.604 2.869 1.00 17.99 N ATOM 136 CA GLN A 18 -20.804 -2.265 3.885 1.00 16.86 C ATOM 137 C GLN A 18 -19.623 -1.432 4.257 1.00 17.54 C ATOM 138 O GLN A 18 -19.144 -0.651 3.396 1.00 20.16 O ATOM 139 CB GLN A 18 -20.285 -3.572 3.338 1.00 22.71 C ATOM 140 CG GLN A 18 -21.441 -4.479 2.954 1.00 23.46 C ATOM 141 CD GLN A 18 -20.990 -5.555 1.994 1.00 24.80 C ATOM 142 OE1 GLN A 18 -20.161 -6.395 2.329 1.00 28.79 O ATOM 143 NE2 GLN A 18 -21.527 -5.516 0.792 1.00 27.00 N ATOM 144 N LEU A 19 -19.181 -1.576 5.493 1.00 16.02 N ATOM 145 CA LEU A 19 -18.018 -0.811 5.944 1.00 16.27 C ATOM 146 C LEU A 19 -16.812 -1.701 5.860 1.00 18.54 C ATOM 147 O LEU A 19 -16.817 -2.859 6.310 1.00 17.61 O ATOM 148 CB LEU A 19 -18.186 -0.343 7.366 1.00 18.16 C ATOM 149 CG LEU A 19 -19.470 0.474 7.465 1.00 21.22 C ATOM 150 CD1 LEU A 19 -19.611 0.838 8.984 1.00 25.60 C ATOM 151 CD2 LEU A 19 -19.449 1.715 6.638 1.00 22.64 C ATOM 152 N LYS A 20 -15.742 -1.178 5.267 1.00 16.07 N ATOM 153 CA LYS A 20 -14.529 -1.979 5.178 1.00 17.59 C ATOM 154 C LYS A 20 -13.298 -1.116 5.389 1.00 16.30 C ATOM 155 O LYS A 20 -13.411 0.089 5.453 1.00 18.25 O ATOM 156 CB LYS A 20 -14.412 -2.676 3.807 1.00 15.39 C ATOM 157 CG LYS A 20 -15.567 -3.633 3.531 1.00 25.04 C ATOM 158 CD LYS A 20 -15.478 -4.353 2.192 1.00 29.62 C ATOM 159 CE LYS A 20 -16.539 -5.495 2.177 1.00 32.27 C ATOM 160 NZ LYS A 20 -16.289 -6.441 3.353 1.00 37.11 N ATOM 161 N GLU A 21 -12.141 -1.737 5.639 1.00 17.97 N ATOM 162 CA GLU A 21 -10.914 -0.971 5.774 1.00 19.84 C ATOM 163 C GLU A 21 -10.135 -1.226 4.461 1.00 16.43 C ATOM 164 O GLU A 21 -10.140 -2.312 3.949 1.00 19.99 O ATOM 165 CB GLU A 21 -10.024 -1.444 6.940 1.00 24.73 C ATOM 166 CG GLU A 21 -10.620 -1.200 8.275 1.00 35.68 C ATOM 167 CD GLU A 21 -9.895 -0.036 8.990 1.00 45.41 C ATOM 168 OE1 GLU A 21 -8.795 -0.275 9.551 1.00 47.42 O ATOM 169 OE2 GLU A 21 -10.418 1.115 8.967 1.00 48.46 O ATOM 170 N ALA A 22 -9.437 -0.196 3.993 1.00 17.47 N ATOM 171 CA ALA A 22 -8.686 -0.344 2.724 1.00 16.89 C ATOM 172 C ALA A 22 -7.428 0.450 2.810 1.00 17.98 C ATOM 173 O ALA A 22 -7.307 1.470 3.528 1.00 17.08 O ATOM 174 CB ALA A 22 -9.503 0.157 1.562 1.00 17.23 C ATOM 175 N LEU A 23 -6.478 -0.005 1.984 1.00 19.26 N ATOM 176 CA LEU A 23 -5.174 0.636 1.926 1.00 19.18 C ATOM 177 C LEU A 23 -5.126 1.680 0.798 1.00 19.19 C ATOM 178 O LEU A 23 -5.527 1.355 -0.318 1.00 19.14 O ATOM 179 CB LEU A 23 -4.195 -0.487 1.604 1.00 19.34 C ATOM 180 CG LEU A 23 -2.698 -0.191 1.518 1.00 24.02 C ATOM 181 CD1 LEU A 23 -2.226 0.115 2.929 1.00 27.13 C ATOM 182 CD2 LEU A 23 -1.920 -1.408 1.047 1.00 27.16 C ATOM 183 N LEU A 24 -4.669 2.913 1.082 1.00 16.59 N ATOM 184 CA LEU A 24 -4.493 3.904 0.003 1.00 18.85 C ATOM 185 C LEU A 24 -3.185 3.509 -0.664 1.00 22.18 C ATOM 186 O LEU A 24 -2.089 3.552 -0.003 1.00 21.21 O ATOM 187 CB LEU A 24 -4.367 5.268 0.594 1.00 20.26 C ATOM 188 CG LEU A 24 -5.617 5.811 1.310 1.00 21.97 C ATOM 189 CD1 LEU A 24 -5.265 7.189 1.799 1.00 25.16 C ATOM 190 CD2 LEU A 24 -6.840 5.847 0.439 1.00 24.95 C ATOM 191 N ASP A 25 -3.245 3.176 -1.964 1.00 19.83 N ATOM 192 CA ASP A 25 -2.040 2.624 -2.616 1.00 19.29 C ATOM 193 C ASP A 25 -1.715 3.361 -3.910 1.00 18.33 C ATOM 194 O ASP A 25 -2.350 3.115 -4.942 1.00 18.56 O ATOM 195 CB ASP A 25 -2.313 1.189 -2.979 1.00 23.29 C ATOM 196 CG ASP A 25 -1.099 0.496 -3.578 1.00 35.30 C ATOM 197 OD1 ASP A 25 -1.191 -0.716 -3.917 1.00 36.35 O ATOM 198 OD2 ASP A 25 -0.058 1.179 -3.682 1.00 34.64 O ATOM 199 N THR A 26 -0.758 4.277 -3.819 1.00 17.74 N ATOM 200 CA THR A 26 -0.389 5.109 -4.965 1.00 17.58 C ATOM 201 C THR A 26 0.274 4.279 -6.003 1.00 19.13 C ATOM 202 O THR A 26 0.362 4.746 -7.151 1.00 20.01 O ATOM 203 CB THR A 26 0.589 6.247 -4.562 1.00 17.25 C ATOM 204 OG1 THR A 26 1.739 5.625 -3.915 1.00 17.45 O ATOM 205 CG2 THR A 26 -0.090 7.230 -3.519 1.00 20.32 C ATOM 206 N GLY A 27 0.685 3.050 -5.638 1.00 17.67 N ATOM 207 CA GLY A 27 1.305 2.176 -6.637 1.00 21.66 C ATOM 208 C GLY A 27 0.292 1.326 -7.426 1.00 23.50 C ATOM 209 O GLY A 27 0.654 0.575 -8.352 1.00 25.90 O ATOM 210 N ALA A 28 -0.987 1.459 -7.077 1.00 19.44 N ATOM 211 CA ALA A 28 -2.029 0.697 -7.741 1.00 19.67 C ATOM 212 C ALA A 28 -2.783 1.530 -8.762 1.00 20.00 C ATOM 213 O ALA A 28 -3.315 2.617 -8.462 1.00 19.32 O ATOM 214 CB ALA A 28 -3.062 0.144 -6.673 1.00 19.15 C ATOM 215 N ASP A 29 -2.853 1.029 -9.984 1.00 21.63 N ATOM 216 CA ASP A 29 -3.552 1.787 -11.011 1.00 22.79 C ATOM 217 C ASP A 29 -5.045 1.720 -10.694 1.00 23.51 C ATOM 218 O ASP A 29 -5.774 2.674 -10.868 1.00 25.49 O ATOM 219 CB ASP A 29 -3.400 1.111 -12.372 1.00 25.06 C ATOM 220 CG ASP A 29 -1.947 1.111 -12.875 1.00 29.06 C ATOM 221 OD1 ASP A 29 -1.250 2.078 -12.527 1.00 28.13 O ATOM 222 OD2 ASP A 29 -1.563 0.173 -13.586 1.00 30.63 O ATOM 223 N ASP A 30 -5.430 0.545 -10.256 1.00 24.16 N ATOM 224 CA ASP A 30 -6.814 0.241 -9.965 1.00 25.41 C ATOM 225 C ASP A 30 -7.139 -0.113 -8.532 1.00 24.11 C ATOM 226 O ASP A 30 -6.277 -0.532 -7.738 1.00 24.59 O ATOM 227 CB ASP A 30 -7.289 -0.921 -10.827 1.00 29.43 C ATOM 228 CG ASP A 30 -7.053 -0.690 -12.335 1.00 34.15 C ATOM 229 OD1 ASP A 30 -7.284 0.427 -12.831 1.00 39.55 O ATOM 230 OD2 ASP A 30 -6.652 -1.661 -12.988 1.00 40.50 O ATOM 231 N THR A 31 -8.449 -0.027 -8.251 1.00 23.81 N ATOM 232 CA THR A 31 -8.982 -0.357 -6.933 1.00 20.09 C ATOM 233 C THR A 31 -9.451 -1.838 -6.919 1.00 21.09 C ATOM 234 O THR A 31 -10.181 -2.287 -7.806 1.00 19.64 O ATOM 235 CB THR A 31 -10.116 0.621 -6.653 1.00 19.12 C ATOM 236 OG1 THR A 31 -9.565 1.920 -6.429 1.00 21.04 O ATOM 237 CG2 THR A 31 -10.941 0.202 -5.402 1.00 19.58 C ATOM 238 N VAL A 32 -9.000 -2.594 -5.948 1.00 18.68 N ATOM 239 CA VAL A 32 -9.367 -4.011 -5.860 1.00 22.55 C ATOM 240 C VAL A 32 -9.738 -4.415 -4.441 1.00 23.37 C ATOM 241 O VAL A 32 -9.005 -4.197 -3.509 1.00 23.18 O ATOM 242 CB VAL A 32 -8.227 -4.905 -6.381 1.00 26.32 C ATOM 243 CG1 VAL A 32 -6.993 -4.708 -5.577 1.00 30.93 C ATOM 244 CG2 VAL A 32 -8.660 -6.352 -6.317 1.00 25.31 C ATOM 245 N LEU A 33 -10.946 -4.958 -4.295 1.00 25.12 N ATOM 246 CA LEU A 33 -11.414 -5.364 -3.004 1.00 25.45 C ATOM 247 C LEU A 33 -11.540 -6.856 -2.873 1.00 27.27 C ATOM 248 O LEU A 33 -11.843 -7.558 -3.873 1.00 26.92 O ATOM 249 CB LEU A 33 -12.800 -4.750 -2.745 1.00 25.65 C ATOM 250 CG LEU A 33 -12.834 -3.223 -2.978 1.00 28.61 C ATOM 251 CD1 LEU A 33 -14.255 -2.642 -2.825 1.00 29.58 C ATOM 252 CD2 LEU A 33 -11.867 -2.616 -1.963 1.00 29.03 C ATOM 253 N GLU A 34 -11.352 -7.313 -1.637 1.00 27.91 N ATOM 254 CA GLU A 34 -11.494 -8.705 -1.330 1.00 31.97 C ATOM 255 C GLU A 34 -12.922 -9.069 -1.675 1.00 33.50 C ATOM 256 O GLU A 34 -13.803 -8.208 -1.912 1.00 33.05 O ATOM 257 CB GLU A 34 -11.239 -8.994 0.155 1.00 32.72 C ATOM 258 CG GLU A 34 -10.001 -8.338 0.776 1.00 42.37 C ATOM 259 CD GLU A 34 -9.930 -8.606 2.287 1.00 48.92 C ATOM 260 OE1 GLU A 34 -10.986 -8.461 2.948 1.00 53.25 O ATOM 261 OE2 GLU A 34 -8.844 -8.952 2.811 1.00 53.91 O ATOM 262 N GLU A 35 -13.163 -10.368 -1.712 1.00 34.25 N ATOM 263 CA GLU A 35 -14.488 -10.845 -2.061 1.00 37.32 C ATOM 264 C GLU A 35 -15.601 -10.217 -1.209 1.00 36.30 C ATOM 265 O GLU A 35 -15.517 -10.157 0.027 1.00 37.37 O ATOM 266 CB GLU A 35 -14.513 -12.364 -1.952 1.00 39.38 C ATOM 267 CG GLU A 35 -15.695 -12.984 -2.665 1.00 48.05 C ATOM 268 CD GLU A 35 -15.568 -12.865 -4.169 1.00 52.98 C ATOM 269 OE1 GLU A 35 -14.493 -13.221 -4.711 1.00 56.78 O ATOM 270 OE2 GLU A 35 -16.544 -12.420 -4.809 1.00 56.88 O ATOM 271 N MET A 36 -16.621 -9.730 -1.893 1.00 36.26 N ATOM 272 CA MET A 36 -17.738 -9.100 -1.229 1.00 37.46 C ATOM 273 C MET A 36 -18.929 -9.128 -2.151 1.00 37.74 C ATOM 274 O MET A 36 -18.802 -9.385 -3.341 1.00 37.91 O ATOM 275 CB MET A 36 -17.430 -7.637 -0.931 1.00 37.04 C ATOM 276 CG MET A 36 -17.362 -6.822 -2.189 1.00 39.52 C ATOM 277 SD MET A 36 -17.069 -5.100 -1.830 1.00 34.83 S ATOM 278 CE MET A 36 -15.509 -5.240 -1.005 1.00 49.24 C ATOM 279 N SER A 37 -20.074 -8.793 -1.565 1.00 39.23 N ATOM 280 CA SER A 37 -21.341 -8.735 -2.240 1.00 40.77 C ATOM 281 C SER A 37 -21.514 -7.335 -2.795 1.00 41.64 C ATOM 282 O SER A 37 -21.589 -6.371 -2.024 1.00 40.37 O ATOM 283 CB SER A 37 -22.448 -9.033 -1.234 1.00 41.26 C ATOM 284 OG SER A 37 -23.708 -9.019 -1.880 1.00 47.49 O ATOM 285 N LEU A 38 -21.581 -7.239 -4.122 1.00 42.26 N ATOM 286 CA LEU A 38 -21.745 -5.986 -4.829 1.00 44.52 C ATOM 287 C LEU A 38 -22.811 -6.208 -5.901 1.00 46.83 C ATOM 288 O LEU A 38 -22.635 -7.026 -6.795 1.00 48.05 O ATOM 289 CB LEU A 38 -20.407 -5.584 -5.498 1.00 45.64 C ATOM 290 CG LEU A 38 -20.101 -4.085 -5.601 1.00 47.37 C ATOM 291 CD1 LEU A 38 -20.218 -3.465 -4.226 1.00 46.91 C ATOM 292 CD2 LEU A 38 -18.700 -3.858 -6.154 1.00 47.10 C ATOM 293 N PRO A 39 -23.929 -5.479 -5.825 1.00 48.47 N ATOM 294 CA PRO A 39 -25.011 -5.626 -6.811 1.00 50.47 C ATOM 295 C PRO A 39 -24.546 -5.237 -8.229 1.00 51.60 C ATOM 296 O PRO A 39 -23.444 -4.750 -8.391 1.00 50.24 O ATOM 297 CB PRO A 39 -26.073 -4.678 -6.272 1.00 50.55 C ATOM 298 CG PRO A 39 -25.214 -3.541 -5.733 1.00 49.94 C ATOM 299 CD PRO A 39 -24.165 -4.312 -4.959 1.00 48.85 C ATOM 300 N GLY A 40 -25.401 -5.457 -9.229 1.00 53.64 N ATOM 301 CA GLY A 40 -25.076 -5.099 -10.605 1.00 55.71 C ATOM 302 C GLY A 40 -24.414 -6.191 -11.430 1.00 57.73 C ATOM 303 O GLY A 40 -24.143 -7.301 -10.945 1.00 57.09 O ATOM 304 N ARG A 41 -24.152 -5.898 -12.700 1.00 59.33 N ATOM 305 CA ARG A 41 -23.486 -6.884 -13.546 1.00 61.54 C ATOM 306 C ARG A 41 -21.977 -6.570 -13.600 1.00 60.49 C ATOM 307 O ARG A 41 -21.542 -5.496 -13.195 1.00 60.00 O ATOM 308 CB ARG A 41 -24.096 -6.861 -14.953 1.00 67.09 C ATOM 309 CG ARG A 41 -23.672 -8.036 -15.840 1.00 77.45 C ATOM 310 CD ARG A 41 -24.340 -7.986 -17.222 1.00 86.37 C ATOM 311 NE ARG A 41 -23.814 -9.011 -18.131 1.00 93.91 N ATOM 312 CZ ARG A 41 -24.056 -10.317 -18.022 1.00 97.07 C ATOM 313 NH1 ARG A 41 -24.825 -10.772 -17.040 1.00 99.63 N ATOM 314 NH2 ARG A 41 -23.523 -11.169 -18.890 1.00 98.06 N ATOM 315 N TRP A 42 -21.177 -7.505 -14.089 1.00 59.95 N ATOM 316 CA TRP A 42 -19.739 -7.271 -14.169 1.00 60.29 C ATOM 317 C TRP A 42 -19.126 -7.911 -15.398 1.00 60.64 C ATOM 318 O TRP A 42 -19.788 -8.661 -16.104 1.00 60.97 O ATOM 319 CB TRP A 42 -19.049 -7.840 -12.947 1.00 60.02 C ATOM 320 CG TRP A 42 -19.415 -9.248 -12.712 1.00 61.40 C ATOM 321 CD1 TRP A 42 -20.477 -9.707 -11.987 1.00 60.99 C ATOM 322 CD2 TRP A 42 -18.710 -10.404 -13.173 1.00 62.21 C ATOM 323 NE1 TRP A 42 -20.471 -11.072 -11.954 1.00 61.42 N ATOM 324 CE2 TRP A 42 -19.401 -11.531 -12.671 1.00 62.57 C ATOM 325 CE3 TRP A 42 -17.564 -10.596 -13.947 1.00 63.98 C ATOM 326 CZ2 TRP A 42 -18.982 -12.839 -12.929 1.00 62.84 C ATOM 327 CZ3 TRP A 42 -17.146 -11.898 -14.201 1.00 65.32 C ATOM 328 CH2 TRP A 42 -17.857 -13.003 -13.689 1.00 64.79 C ATOM 329 N LYS A 43 -17.848 -7.620 -15.635 1.00 61.13 N ATOM 330 CA LYS A 43 -17.113 -8.168 -16.774 1.00 61.14 C ATOM 331 C LYS A 43 -15.780 -8.727 -16.286 1.00 60.67 C ATOM 332 O LYS A 43 -15.095 -8.111 -15.457 1.00 59.88 O ATOM 333 CB LYS A 43 -16.880 -7.079 -17.830 1.00 64.10 C ATOM 334 CG LYS A 43 -18.178 -6.532 -18.450 1.00 67.97 C ATOM 335 CD LYS A 43 -17.909 -5.395 -19.419 1.00 71.91 C ATOM 336 CE LYS A 43 -19.186 -4.919 -20.092 1.00 73.81 C ATOM 337 NZ LYS A 43 -20.213 -4.506 -19.097 1.00 77.28 N ATOM 338 N PRO A 44 -15.396 -9.914 -16.775 1.00 59.74 N ATOM 339 CA PRO A 44 -14.133 -10.551 -16.374 1.00 58.75 C ATOM 340 C PRO A 44 -12.909 -9.678 -16.637 1.00 57.64 C ATOM 341 O PRO A 44 -12.934 -8.790 -17.495 1.00 57.43 O ATOM 342 CB PRO A 44 -14.119 -11.830 -17.204 1.00 58.34 C ATOM 343 CG PRO A 44 -15.571 -12.159 -17.294 1.00 58.90 C ATOM 344 CD PRO A 44 -16.179 -10.816 -17.636 1.00 59.50 C ATOM 345 N LYS A 45 -11.836 -9.913 -15.893 1.00 56.26 N ATOM 346 CA LYS A 45 -10.635 -9.113 -16.105 1.00 55.18 C ATOM 347 C LYS A 45 -9.521 -9.708 -15.285 1.00 53.75 C ATOM 348 O LYS A 45 -9.780 -10.494 -14.384 1.00 54.02 O ATOM 349 CB LYS A 45 -10.884 -7.647 -15.709 1.00 55.98 C ATOM 350 CG LYS A 45 -9.776 -6.683 -16.137 1.00 57.83 C ATOM 351 CD LYS A 45 -10.189 -5.238 -15.961 1.00 60.53 C ATOM 352 CE LYS A 45 -9.144 -4.274 -16.507 1.00 61.79 C ATOM 353 NZ LYS A 45 -7.826 -4.394 -15.815 1.00 64.56 N ATOM 354 N MET A 46 -8.277 -9.379 -15.622 1.00 52.32 N ATOM 355 CA MET A 46 -7.139 -9.908 -14.880 1.00 50.85 C ATOM 356 C MET A 46 -6.164 -8.788 -14.588 1.00 47.97 C ATOM 357 O MET A 46 -5.894 -7.956 -15.447 1.00 49.79 O ATOM 358 CB MET A 46 -6.440 -11.021 -15.671 1.00 54.31 C ATOM 359 CG MET A 46 -7.354 -12.193 -16.039 1.00 60.28 C ATOM 360 SD MET A 46 -6.389 -13.682 -16.397 1.00 67.69 S ATOM 361 CE MET A 46 -6.452 -14.474 -14.794 1.00 69.35 C ATOM 362 N ILE A 47 -5.634 -8.757 -13.375 1.00 46.56 N ATOM 363 CA ILE A 47 -4.706 -7.706 -12.967 1.00 43.33 C ATOM 364 C ILE A 47 -3.435 -8.340 -12.427 1.00 42.48 C ATOM 365 O ILE A 47 -3.465 -9.459 -11.944 1.00 42.57 O ATOM 366 CB ILE A 47 -5.316 -6.801 -11.856 1.00 42.97 C ATOM 367 CG1 ILE A 47 -5.742 -7.643 -10.659 1.00 40.37 C ATOM 368 CG2 ILE A 47 -6.492 -6.042 -12.388 1.00 43.33 C ATOM 369 CD1 ILE A 47 -5.990 -6.818 -9.417 1.00 43.46 C ATOM 370 N GLY A 48 -2.315 -7.626 -12.488 1.00 42.25 N ATOM 371 CA GLY A 48 -1.093 -8.214 -11.976 1.00 41.53 C ATOM 372 C GLY A 48 -0.444 -7.452 -10.836 1.00 41.47 C ATOM 373 O GLY A 48 -0.882 -6.363 -10.463 1.00 40.05 O ATOM 374 N GLY A 49 0.597 -8.048 -10.268 1.00 41.14 N ATOM 375 CA GLY A 49 1.337 -7.397 -9.198 1.00 41.78 C ATOM 376 C GLY A 49 2.545 -8.252 -8.901 1.00 41.79 C ATOM 377 O GLY A 49 2.948 -9.051 -9.722 1.00 42.22 O ATOM 378 N ILE A 50 3.136 -8.070 -7.735 1.00 42.57 N ATOM 379 CA ILE A 50 4.272 -8.858 -7.320 1.00 44.71 C ATOM 380 C ILE A 50 3.741 -10.238 -6.928 1.00 45.16 C ATOM 381 O ILE A 50 2.772 -10.335 -6.185 1.00 45.43 O ATOM 382 CB ILE A 50 4.940 -8.197 -6.101 1.00 47.24 C ATOM 383 CG1 ILE A 50 5.768 -7.011 -6.580 1.00 48.64 C ATOM 384 CG2 ILE A 50 5.763 -9.199 -5.318 1.00 48.80 C ATOM 385 CD1 ILE A 50 6.676 -6.442 -5.520 1.00 48.49 C ATOM 386 N GLY A 51 4.351 -11.300 -7.434 1.00 44.90 N ATOM 387 CA GLY A 51 3.893 -12.628 -7.068 1.00 45.04 C ATOM 388 C GLY A 51 3.107 -13.348 -8.138 1.00 45.64 C ATOM 389 O GLY A 51 2.958 -14.585 -8.098 1.00 46.59 O ATOM 390 N GLY A 52 2.603 -12.579 -9.093 1.00 44.58 N ATOM 391 CA GLY A 52 1.822 -13.159 -10.162 1.00 44.86 C ATOM 392 C GLY A 52 0.583 -12.352 -10.518 1.00 45.78 C ATOM 393 O GLY A 52 0.554 -11.112 -10.470 1.00 45.27 O ATOM 394 N PHE A 53 -0.481 -13.056 -10.861 1.00 47.14 N ATOM 395 CA PHE A 53 -1.685 -12.360 -11.263 1.00 47.66 C ATOM 396 C PHE A 53 -2.912 -12.999 -10.631 1.00 47.12 C ATOM 397 O PHE A 53 -2.858 -14.154 -10.173 1.00 46.83 O ATOM 398 CB PHE A 53 -1.792 -12.433 -12.770 1.00 51.78 C ATOM 399 CG PHE A 53 -1.989 -13.829 -13.284 1.00 58.18 C ATOM 400 CD1 PHE A 53 -3.268 -14.352 -13.433 1.00 61.30 C ATOM 401 CD2 PHE A 53 -0.899 -14.614 -13.657 1.00 60.75 C ATOM 402 CE1 PHE A 53 -3.463 -15.642 -13.955 1.00 64.26 C ATOM 403 CE2 PHE A 53 -1.089 -15.909 -14.185 1.00 63.82 C ATOM 404 CZ PHE A 53 -2.368 -16.416 -14.335 1.00 63.12 C ATOM 405 N ILE A 54 -4.015 -12.252 -10.597 1.00 45.28 N ATOM 406 CA ILE A 54 -5.262 -12.808 -10.059 1.00 44.63 C ATOM 407 C ILE A 54 -6.390 -12.485 -10.998 1.00 43.98 C ATOM 408 O ILE A 54 -6.303 -11.528 -11.734 1.00 46.28 O ATOM 409 CB ILE A 54 -5.619 -12.236 -8.705 1.00 43.20 C ATOM 410 CG1 ILE A 54 -5.799 -10.711 -8.818 1.00 43.25 C ATOM 411 CG2 ILE A 54 -4.545 -12.611 -7.688 1.00 43.38 C ATOM 412 CD1 ILE A 54 -6.564 -10.114 -7.651 1.00 38.66 C ATOM 413 N LYS A 55 -7.445 -13.289 -10.980 1.00 44.77 N ATOM 414 CA LYS A 55 -8.595 -13.039 -11.827 1.00 44.90 C ATOM 415 C LYS A 55 -9.566 -12.258 -10.965 1.00 43.80 C ATOM 416 O LYS A 55 -9.738 -12.591 -9.791 1.00 42.73 O ATOM 417 CB LYS A 55 -9.238 -14.363 -12.258 1.00 49.26 C ATOM 418 CG LYS A 55 -10.042 -14.311 -13.577 1.00 55.79 C ATOM 419 CD LYS A 55 -11.364 -13.533 -13.467 1.00 63.15 C ATOM 420 CE LYS A 55 -12.234 -13.696 -14.723 1.00 67.10 C ATOM 421 NZ LYS A 55 -13.594 -13.094 -14.593 1.00 70.75 N ATOM 422 N VAL A 56 -10.184 -11.223 -11.545 1.00 42.77 N ATOM 423 CA VAL A 56 -11.153 -10.407 -10.817 1.00 42.00 C ATOM 424 C VAL A 56 -12.415 -10.060 -11.591 1.00 41.59 C ATOM 425 O VAL A 56 -12.490 -10.213 -12.814 1.00 41.00 O ATOM 426 CB VAL A 56 -10.541 -9.077 -10.344 1.00 40.04 C ATOM 427 CG1 VAL A 56 -9.394 -9.358 -9.366 1.00 40.81 C ATOM 428 CG2 VAL A 56 -10.116 -8.242 -11.525 1.00 39.10 C ATOM 429 N ARG A 57 -13.421 -9.596 -10.856 1.00 42.10 N ATOM 430 CA ARG A 57 -14.688 -9.187 -11.461 1.00 40.83 C ATOM 431 C ARG A 57 -14.607 -7.688 -11.546 1.00 39.96 C ATOM 432 O ARG A 57 -14.237 -7.028 -10.568 1.00 38.49 O ATOM 433 CB ARG A 57 -15.862 -9.605 -10.568 1.00 44.21 C ATOM 434 CG ARG A 57 -15.984 -11.113 -10.385 1.00 51.02 C ATOM 435 CD ARG A 57 -17.282 -11.530 -9.640 1.00 55.60 C ATOM 436 NE ARG A 57 -17.262 -11.168 -8.223 1.00 60.08 N ATOM 437 CZ ARG A 57 -18.331 -11.126 -7.432 1.00 63.93 C ATOM 438 NH1 ARG A 57 -19.539 -11.430 -7.914 1.00 65.90 N ATOM 439 NH2 ARG A 57 -18.192 -10.778 -6.157 1.00 63.60 N ATOM 440 N GLN A 58 -14.936 -7.143 -12.705 1.00 39.38 N ATOM 441 CA GLN A 58 -14.887 -5.704 -12.891 1.00 39.63 C ATOM 442 C GLN A 58 -16.265 -5.034 -12.802 1.00 39.92 C ATOM 443 O GLN A 58 -17.156 -5.323 -13.598 1.00 40.23 O ATOM 444 CB GLN A 58 -14.264 -5.375 -14.238 1.00 41.14 C ATOM 445 CG GLN A 58 -14.040 -3.917 -14.393 1.00 46.34 C ATOM 446 CD GLN A 58 -13.506 -3.521 -15.734 1.00 51.52 C ATOM 447 OE1 GLN A 58 -12.886 -4.319 -16.436 1.00 55.09 O ATOM 448 NE2 GLN A 58 -13.730 -2.258 -16.101 1.00 53.65 N ATOM 449 N TYR A 59 -16.440 -4.132 -11.840 1.00 40.34 N ATOM 450 CA TYR A 59 -17.707 -3.426 -11.671 1.00 40.50 C ATOM 451 C TYR A 59 -17.505 -1.954 -11.966 1.00 41.34 C ATOM 452 O TYR A 59 -16.631 -1.296 -11.381 1.00 39.83 O ATOM 453 CB TYR A 59 -18.234 -3.574 -10.228 1.00 41.56 C ATOM 454 CG TYR A 59 -18.649 -4.949 -9.802 1.00 42.01 C ATOM 455 CD1 TYR A 59 -17.706 -5.943 -9.475 1.00 44.75 C ATOM 456 CD2 TYR A 59 -19.998 -5.274 -9.725 1.00 45.91 C ATOM 457 CE1 TYR A 59 -18.114 -7.221 -9.090 1.00 44.80 C ATOM 458 CE2 TYR A 59 -20.410 -6.536 -9.347 1.00 43.82 C ATOM 459 CZ TYR A 59 -19.487 -7.503 -9.032 1.00 47.22 C ATOM 460 OH TYR A 59 -19.965 -8.743 -8.672 1.00 47.47 O ATOM 461 N ASP A 60 -18.313 -1.411 -12.866 1.00 41.46 N ATOM 462 CA ASP A 60 -18.158 -0.007 -13.194 1.00 42.90 C ATOM 463 C ASP A 60 -19.197 0.877 -12.511 1.00 42.04 C ATOM 464 O ASP A 60 -20.183 0.383 -11.951 1.00 41.25 O ATOM 465 CB ASP A 60 -18.182 0.172 -14.725 1.00 46.64 C ATOM 466 CG ASP A 60 -17.128 -0.701 -15.435 1.00 51.79 C ATOM 467 OD1 ASP A 60 -15.949 -0.723 -14.994 1.00 50.89 O ATOM 468 OD2 ASP A 60 -17.471 -1.369 -16.446 1.00 56.20 O ATOM 469 N GLN A 61 -18.947 2.177 -12.507 1.00 40.82 N ATOM 470 CA GLN A 61 -19.869 3.105 -11.915 1.00 41.33 C ATOM 471 C GLN A 61 -20.266 2.668 -10.512 1.00 39.16 C ATOM 472 O GLN A 61 -21.460 2.674 -10.161 1.00 37.90 O ATOM 473 CB GLN A 61 -21.140 3.206 -12.774 1.00 47.63 C ATOM 474 CG GLN A 61 -20.897 3.279 -14.293 1.00 58.97 C ATOM 475 CD GLN A 61 -22.203 3.189 -15.112 1.00 66.27 C ATOM 476 OE1 GLN A 61 -23.125 4.002 -14.943 1.00 71.19 O ATOM 477 NE2 GLN A 61 -22.275 2.197 -15.997 1.00 70.67 N ATOM 478 N ILE A 62 -19.292 2.252 -9.708 1.00 37.14 N ATOM 479 CA ILE A 62 -19.599 1.835 -8.331 1.00 33.95 C ATOM 480 C ILE A 62 -19.364 3.007 -7.406 1.00 31.94 C ATOM 481 O ILE A 62 -18.296 3.632 -7.443 1.00 29.48 O ATOM 482 CB ILE A 62 -18.709 0.693 -7.877 1.00 34.20 C ATOM 483 CG1 ILE A 62 -19.023 -0.559 -8.677 1.00 37.22 C ATOM 484 CG2 ILE A 62 -18.852 0.497 -6.364 1.00 33.47 C ATOM 485 CD1 ILE A 62 -20.437 -1.118 -8.430 1.00 42.62 C ATOM 486 N LEU A 63 -20.333 3.296 -6.535 1.00 30.54 N ATOM 487 CA LEU A 63 -20.184 4.401 -5.571 1.00 29.64 C ATOM 488 C LEU A 63 -19.398 3.928 -4.353 1.00 30.27 C ATOM 489 O LEU A 63 -19.671 2.860 -3.790 1.00 31.93 O ATOM 490 CB LEU A 63 -21.568 4.920 -5.049 1.00 30.79 C ATOM 491 CG LEU A 63 -21.512 6.080 -4.022 1.00 29.14 C ATOM 492 CD1 LEU A 63 -20.911 7.285 -4.664 1.00 32.81 C ATOM 493 CD2 LEU A 63 -22.914 6.453 -3.450 1.00 32.15 C ATOM 494 N ILE A 64 -18.442 4.727 -3.940 1.00 28.39 N ATOM 495 CA ILE A 64 -17.655 4.392 -2.750 1.00 28.63 C ATOM 496 C ILE A 64 -17.372 5.646 -1.929 1.00 27.99 C ATOM 497 O ILE A 64 -17.222 6.732 -2.495 1.00 29.95 O ATOM 498 CB ILE A 64 -16.329 3.697 -3.186 1.00 28.45 C ATOM 499 CG1 ILE A 64 -15.490 3.310 -1.986 1.00 28.29 C ATOM 500 CG2 ILE A 64 -15.530 4.653 -4.040 1.00 32.82 C ATOM 501 CD1 ILE A 64 -14.343 2.343 -2.414 1.00 30.59 C ATOM 502 N GLU A 65 -17.403 5.560 -0.608 1.00 26.53 N ATOM 503 CA GLU A 65 -17.058 6.721 0.182 1.00 29.72 C ATOM 504 C GLU A 65 -15.756 6.396 0.840 1.00 31.47 C ATOM 505 O GLU A 65 -15.623 5.364 1.536 1.00 29.62 O ATOM 506 CB GLU A 65 -18.079 7.079 1.252 1.00 35.74 C ATOM 507 CG GLU A 65 -19.359 7.649 0.728 1.00 43.05 C ATOM 508 CD GLU A 65 -20.254 8.118 1.880 1.00 50.55 C ATOM 509 OE1 GLU A 65 -19.825 9.036 2.613 1.00 55.91 O ATOM 510 OE2 GLU A 65 -21.361 7.557 2.062 1.00 54.50 O ATOM 511 N ILE A 66 -14.766 7.257 0.616 1.00 32.51 N ATOM 512 CA ILE A 66 -13.440 7.014 1.202 1.00 35.11 C ATOM 513 C ILE A 66 -13.161 8.028 2.266 1.00 37.61 C ATOM 514 O ILE A 66 -13.065 9.219 1.970 1.00 37.81 O ATOM 515 CB ILE A 66 -12.373 7.076 0.101 1.00 37.48 C ATOM 516 CG1 ILE A 66 -12.699 6.031 -0.966 1.00 37.61 C ATOM 517 CG2 ILE A 66 -10.971 6.820 0.693 1.00 35.09 C ATOM 518 CD1 ILE A 66 -11.932 6.209 -2.254 1.00 46.04 C ATOM 519 N CYS A 67 -13.064 7.562 3.508 1.00 40.03 N ATOM 520 CA CYS A 67 -12.799 8.441 4.636 1.00 42.76 C ATOM 521 C CYS A 67 -13.692 9.697 4.483 1.00 42.69 C ATOM 522 O CYS A 67 -13.226 10.825 4.663 1.00 43.17 O ATOM 523 CB CYS A 67 -11.291 8.806 4.634 1.00 45.01 C ATOM 524 SG CYS A 67 -10.543 9.401 6.204 1.00 54.86 S ATOM 525 N GLY A 68 -14.964 9.494 4.125 1.00 42.03 N ATOM 526 CA GLY A 68 -15.915 10.613 3.975 1.00 41.21 C ATOM 527 C GLY A 68 -16.137 11.257 2.615 1.00 40.70 C ATOM 528 O GLY A 68 -17.136 11.960 2.403 1.00 40.96 O ATOM 529 N HIS A 69 -15.214 11.037 1.681 1.00 39.94 N ATOM 530 CA HIS A 69 -15.315 11.600 0.342 1.00 38.45 C ATOM 531 C HIS A 69 -15.908 10.574 -0.624 1.00 37.47 C ATOM 532 O HIS A 69 -15.418 9.433 -0.737 1.00 36.44 O ATOM 533 CB HIS A 69 -13.924 12.014 -0.160 1.00 43.48 C ATOM 534 CG HIS A 69 -13.274 13.106 0.651 1.00 47.53 C ATOM 535 ND1 HIS A 69 -12.993 12.988 1.984 1.00 49.72 N ATOM 536 CD2 HIS A 69 -12.824 14.332 0.265 1.00 48.64 C ATOM 537 CE1 HIS A 69 -12.393 14.099 2.411 1.00 50.42 C ATOM 538 NE2 HIS A 69 -12.284 14.916 1.386 1.00 52.15 N ATOM 539 N LYS A 70 -16.935 10.988 -1.351 1.00 34.68 N ATOM 540 CA LYS A 70 -17.600 10.135 -2.309 1.00 35.00 C ATOM 541 C LYS A 70 -16.862 10.073 -3.655 1.00 35.33 C ATOM 542 O LYS A 70 -16.227 11.042 -4.065 1.00 36.03 O ATOM 543 CB LYS A 70 -19.027 10.635 -2.519 1.00 36.42 C ATOM 544 CG LYS A 70 -19.918 10.361 -1.302 1.00 36.97 C ATOM 545 CD LYS A 70 -21.318 10.900 -1.462 1.00 43.07 C ATOM 546 CE LYS A 70 -22.100 10.765 -0.148 1.00 42.13 C ATOM 547 NZ LYS A 70 -21.428 11.526 0.959 1.00 51.17 N ATOM 548 N ALA A 71 -16.928 8.923 -4.310 1.00 34.53 N ATOM 549 CA ALA A 71 -16.315 8.739 -5.615 1.00 33.40 C ATOM 550 C ALA A 71 -17.050 7.646 -6.318 1.00 33.39 C ATOM 551 O ALA A 71 -17.617 6.742 -5.693 1.00 31.84 O ATOM 552 CB ALA A 71 -14.827 8.371 -5.482 1.00 34.67 C ATOM 553 N ILE A 72 -17.081 7.728 -7.634 1.00 31.90 N ATOM 554 CA ILE A 72 -17.732 6.741 -8.415 1.00 32.19 C ATOM 555 C ILE A 72 -16.723 6.265 -9.392 1.00 32.52 C ATOM 556 O ILE A 72 -16.106 7.085 -10.100 1.00 35.48 O ATOM 557 CB ILE A 72 -18.921 7.291 -9.183 1.00 35.42 C ATOM 558 CG1 ILE A 72 -20.143 7.394 -8.273 1.00 35.58 C ATOM 559 CG2 ILE A 72 -19.291 6.325 -10.275 1.00 32.08 C ATOM 560 CD1 ILE A 72 -21.382 7.755 -9.054 1.00 40.63 C ATOM 561 N GLY A 73 -16.527 4.957 -9.453 1.00 30.62 N ATOM 562 CA GLY A 73 -15.558 4.452 -10.400 1.00 28.65 C ATOM 563 C GLY A 73 -15.577 2.966 -10.501 1.00 29.11 C ATOM 564 O GLY A 73 -16.438 2.253 -9.951 1.00 28.70 O ATOM 565 N THR A 74 -14.595 2.455 -11.220 1.00 26.14 N ATOM 566 CA THR A 74 -14.537 1.043 -11.379 1.00 26.00 C ATOM 567 C THR A 74 -13.914 0.434 -10.174 1.00 25.72 C ATOM 568 O THR A 74 -12.927 0.943 -9.672 1.00 24.57 O ATOM 569 CB THR A 74 -13.676 0.706 -12.569 1.00 29.04 C ATOM 570 OG1 THR A 74 -14.321 1.173 -13.772 1.00 34.39 O ATOM 571 CG2 THR A 74 -13.425 -0.782 -12.633 1.00 32.40 C ATOM 572 N VAL A 75 -14.436 -0.705 -9.777 1.00 26.29 N ATOM 573 CA VAL A 75 -13.950 -1.426 -8.633 1.00 24.95 C ATOM 574 C VAL A 75 -13.777 -2.879 -9.056 1.00 26.82 C ATOM 575 O VAL A 75 -14.674 -3.447 -9.694 1.00 28.93 O ATOM 576 CB VAL A 75 -15.001 -1.299 -7.451 1.00 24.79 C ATOM 577 CG1 VAL A 75 -14.763 -2.381 -6.429 1.00 28.53 C ATOM 578 CG2 VAL A 75 -14.904 0.124 -6.790 1.00 26.50 C ATOM 579 N LEU A 76 -12.629 -3.478 -8.740 1.00 26.46 N ATOM 580 CA LEU A 76 -12.390 -4.881 -9.062 1.00 26.10 C ATOM 581 C LEU A 76 -12.599 -5.684 -7.793 1.00 26.72 C ATOM 582 O LEU A 76 -12.301 -5.241 -6.679 1.00 25.91 O ATOM 583 CB LEU A 76 -10.957 -5.102 -9.564 1.00 25.66 C ATOM 584 CG LEU A 76 -10.667 -4.072 -10.645 1.00 25.68 C ATOM 585 CD1 LEU A 76 -9.210 -4.308 -11.164 1.00 30.90 C ATOM 586 CD2 LEU A 76 -11.663 -4.227 -11.768 1.00 26.85 C ATOM 587 N VAL A 77 -13.081 -6.902 -7.955 1.00 27.60 N ATOM 588 CA VAL A 77 -13.355 -7.728 -6.799 1.00 28.85 C ATOM 589 C VAL A 77 -12.773 -9.092 -7.028 1.00 31.34 C ATOM 590 O VAL A 77 -13.080 -9.729 -8.024 1.00 33.69 O ATOM 591 CB VAL A 77 -14.943 -7.839 -6.576 1.00 27.71 C ATOM 592 CG1 VAL A 77 -15.248 -8.732 -5.383 1.00 26.92 C ATOM 593 CG2 VAL A 77 -15.552 -6.442 -6.391 1.00 24.29 C ATOM 594 N GLY A 78 -11.942 -9.570 -6.122 1.00 31.46 N ATOM 595 CA GLY A 78 -11.362 -10.875 -6.358 1.00 33.86 C ATOM 596 C GLY A 78 -10.465 -11.278 -5.237 1.00 33.85 C ATOM 597 O GLY A 78 -10.444 -10.626 -4.200 1.00 35.43 O ATOM 598 N PRO A 79 -9.633 -12.308 -5.435 1.00 36.01 N ATOM 599 CA PRO A 79 -8.724 -12.800 -4.394 1.00 35.48 C ATOM 600 C PRO A 79 -7.504 -11.992 -3.969 1.00 36.16 C ATOM 601 O PRO A 79 -6.412 -12.560 -3.868 1.00 36.66 O ATOM 602 CB PRO A 79 -8.320 -14.172 -4.946 1.00 36.86 C ATOM 603 CG PRO A 79 -8.170 -13.875 -6.393 1.00 36.78 C ATOM 604 CD PRO A 79 -9.468 -13.095 -6.669 1.00 35.35 C ATOM 605 N THR A 80 -7.674 -10.696 -3.689 1.00 34.78 N ATOM 606 CA THR A 80 -6.571 -9.859 -3.227 1.00 33.83 C ATOM 607 C THR A 80 -6.418 -10.011 -1.718 1.00 33.91 C ATOM 608 O THR A 80 -7.386 -10.136 -1.020 1.00 36.25 O ATOM 609 CB THR A 80 -6.804 -8.360 -3.528 1.00 33.03 C ATOM 610 OG1 THR A 80 -5.790 -7.598 -2.877 1.00 32.43 O ATOM 611 CG2 THR A 80 -8.138 -7.897 -3.008 1.00 31.03 C ATOM 612 N PRO A 81 -5.189 -10.012 -1.203 1.00 35.13 N ATOM 613 CA PRO A 81 -4.916 -10.139 0.240 1.00 34.53 C ATOM 614 C PRO A 81 -5.506 -8.954 1.033 1.00 34.46 C ATOM 615 O PRO A 81 -5.869 -9.099 2.185 1.00 33.45 O ATOM 616 CB PRO A 81 -3.395 -10.163 0.309 1.00 35.74 C ATOM 617 CG PRO A 81 -2.976 -9.475 -0.952 1.00 38.19 C ATOM 618 CD PRO A 81 -3.940 -10.023 -1.966 1.00 35.98 C ATOM 619 N VAL A 82 -5.605 -7.774 0.422 1.00 32.36 N ATOM 620 CA VAL A 82 -6.173 -6.644 1.147 1.00 29.96 C ATOM 621 C VAL A 82 -6.916 -5.731 0.195 1.00 26.80 C ATOM 622 O VAL A 82 -6.660 -5.762 -1.004 1.00 22.60 O ATOM 623 CB VAL A 82 -5.067 -5.879 1.860 1.00 35.84 C ATOM 624 CG1 VAL A 82 -4.076 -5.327 0.826 1.00 39.56 C ATOM 625 CG2 VAL A 82 -5.661 -4.788 2.740 1.00 41.42 C ATOM 626 N ASN A 83 -7.872 -4.967 0.724 1.00 22.49 N ATOM 627 CA ASN A 83 -8.643 -4.013 -0.065 1.00 21.44 C ATOM 628 C ASN A 83 -7.660 -2.866 -0.408 1.00 19.70 C ATOM 629 O ASN A 83 -6.994 -2.375 0.474 1.00 20.58 O ATOM 630 CB ASN A 83 -9.766 -3.444 0.761 1.00 22.64 C ATOM 631 CG ASN A 83 -10.749 -4.532 1.169 1.00 23.48 C ATOM 632 OD1 ASN A 83 -11.084 -5.406 0.344 1.00 22.50 O ATOM 633 ND2 ASN A 83 -11.223 -4.487 2.424 1.00 24.65 N ATOM 634 N ILE A 84 -7.574 -2.525 -1.695 1.00 17.31 N ATOM 635 CA ILE A 84 -6.650 -1.496 -2.182 1.00 18.23 C ATOM 636 C ILE A 84 -7.422 -0.402 -2.897 1.00 15.81 C ATOM 637 O ILE A 84 -8.249 -0.662 -3.782 1.00 18.84 O ATOM 638 CB ILE A 84 -5.645 -2.110 -3.219 1.00 21.62 C ATOM 639 CG1 ILE A 84 -4.627 -3.030 -2.491 1.00 24.28 C ATOM 640 CG2 ILE A 84 -4.836 -0.960 -3.925 1.00 21.72 C ATOM 641 CD1 ILE A 84 -4.086 -4.127 -3.418 1.00 33.51 C ATOM 642 N ILE A 85 -7.164 0.850 -2.524 1.00 16.95 N ATOM 643 CA ILE A 85 -7.822 1.967 -3.238 1.00 16.96 C ATOM 644 C ILE A 85 -6.694 2.464 -4.143 1.00 16.73 C ATOM 645 O ILE A 85 -5.622 2.904 -3.659 1.00 18.40 O ATOM 646 CB ILE A 85 -8.219 3.089 -2.295 1.00 17.88 C ATOM 647 CG1 ILE A 85 -9.185 2.537 -1.189 1.00 18.96 C ATOM 648 CG2 ILE A 85 -8.899 4.153 -3.031 1.00 19.45 C ATOM 649 CD1 ILE A 85 -10.391 1.879 -1.768 1.00 20.54 C ATOM 650 N GLY A 86 -6.962 2.392 -5.419 1.00 17.32 N ATOM 651 CA GLY A 86 -5.962 2.745 -6.425 1.00 17.16 C ATOM 652 C GLY A 86 -6.168 4.141 -6.971 1.00 18.31 C ATOM 653 O GLY A 86 -7.118 4.840 -6.615 1.00 18.44 O ATOM 654 N ARG A 87 -5.249 4.553 -7.877 1.00 17.96 N ATOM 655 CA ARG A 87 -5.285 5.893 -8.367 1.00 20.20 C ATOM 656 C ARG A 87 -6.584 6.305 -9.047 1.00 21.46 C ATOM 657 O ARG A 87 -6.969 7.501 -8.956 1.00 23.02 O ATOM 658 CB ARG A 87 -4.065 6.185 -9.305 1.00 19.99 C ATOM 659 CG ARG A 87 -2.685 6.099 -8.589 1.00 22.26 C ATOM 660 CD ARG A 87 -1.501 6.389 -9.562 1.00 21.18 C ATOM 661 NE ARG A 87 -1.504 5.470 -10.715 1.00 21.94 N ATOM 662 CZ ARG A 87 -2.036 5.771 -11.910 1.00 20.83 C ATOM 663 NH1 ARG A 87 -2.600 6.976 -12.139 1.00 21.20 N ATOM 664 NH2 ARG A 87 -2.037 4.857 -12.847 1.00 24.22 N ATOM 665 N ASN A 88 -7.267 5.335 -9.617 1.00 22.04 N ATOM 666 CA ASN A 88 -8.544 5.642 -10.284 1.00 25.14 C ATOM 667 C ASN A 88 -9.527 6.298 -9.351 1.00 25.01 C ATOM 668 O ASN A 88 -10.360 7.127 -9.793 1.00 25.70 O ATOM 669 CB ASN A 88 -9.119 4.393 -10.918 1.00 25.18 C ATOM 670 CG ASN A 88 -9.758 3.457 -9.920 1.00 26.25 C ATOM 671 OD1 ASN A 88 -9.074 2.875 -9.069 1.00 27.23 O ATOM 672 ND2 ASN A 88 -11.074 3.304 -10.011 1.00 24.85 N ATOM 673 N LEU A 89 -9.456 5.952 -8.057 1.00 22.81 N ATOM 674 CA LEU A 89 -10.306 6.601 -7.081 1.00 21.95 C ATOM 675 C LEU A 89 -9.550 7.642 -6.281 1.00 20.55 C ATOM 676 O LEU A 89 -10.162 8.583 -5.816 1.00 22.88 O ATOM 677 CB LEU A 89 -10.953 5.594 -6.107 1.00 21.28 C ATOM 678 CG LEU A 89 -11.849 4.637 -6.898 1.00 24.88 C ATOM 679 CD1 LEU A 89 -12.463 3.537 -5.960 1.00 25.03 C ATOM 680 CD2 LEU A 89 -12.936 5.520 -7.526 1.00 26.88 C ATOM 681 N LEU A 90 -8.219 7.479 -6.107 1.00 20.66 N ATOM 682 CA LEU A 90 -7.471 8.415 -5.355 1.00 20.83 C ATOM 683 C LEU A 90 -7.551 9.850 -5.954 1.00 22.49 C ATOM 684 O LEU A 90 -7.627 10.857 -5.227 1.00 22.20 O ATOM 685 CB LEU A 90 -6.001 7.968 -5.206 1.00 21.44 C ATOM 686 CG LEU A 90 -5.810 6.692 -4.323 1.00 21.28 C ATOM 687 CD1 LEU A 90 -4.310 6.393 -4.253 1.00 23.16 C ATOM 688 CD2 LEU A 90 -6.301 6.966 -2.913 1.00 22.63 C ATOM 689 N THR A 91 -7.590 9.914 -7.254 1.00 25.10 N ATOM 690 CA THR A 91 -7.620 11.231 -7.889 1.00 27.44 C ATOM 691 C THR A 91 -8.955 11.933 -7.561 1.00 30.56 C ATOM 692 O THR A 91 -8.993 13.182 -7.437 1.00 30.43 O ATOM 693 CB THR A 91 -7.469 11.118 -9.396 1.00 27.49 C ATOM 694 OG1 THR A 91 -8.375 10.155 -9.919 1.00 30.84 O ATOM 695 CG2 THR A 91 -6.065 10.681 -9.759 1.00 27.24 C ATOM 696 N GLN A 92 -10.018 11.129 -7.366 1.00 32.08 N ATOM 697 CA GLN A 92 -11.340 11.704 -7.069 1.00 34.81 C ATOM 698 C GLN A 92 -11.460 12.342 -5.700 1.00 36.53 C ATOM 699 O GLN A 92 -12.296 13.229 -5.484 1.00 37.78 O ATOM 700 CB GLN A 92 -12.446 10.676 -7.248 1.00 37.44 C ATOM 701 CG GLN A 92 -12.640 10.241 -8.681 1.00 44.70 C ATOM 702 CD GLN A 92 -13.916 9.434 -8.900 1.00 50.66 C ATOM 703 OE1 GLN A 92 -15.047 9.941 -8.740 1.00 48.97 O ATOM 704 NE2 GLN A 92 -13.745 8.176 -9.289 1.00 56.23 N ATOM 705 N ILE A 93 -10.659 11.906 -4.755 1.00 36.15 N ATOM 706 CA ILE A 93 -10.714 12.503 -3.455 1.00 38.00 C ATOM 707 C ILE A 93 -9.567 13.484 -3.296 1.00 37.94 C ATOM 708 O ILE A 93 -9.163 13.813 -2.175 1.00 39.30 O ATOM 709 CB ILE A 93 -10.709 11.395 -2.399 1.00 39.42 C ATOM 710 CG1 ILE A 93 -9.372 10.656 -2.382 1.00 40.01 C ATOM 711 CG2 ILE A 93 -11.859 10.461 -2.716 1.00 39.59 C ATOM 712 CD1 ILE A 93 -9.295 9.602 -1.284 1.00 42.12 C ATOM 713 N GLY A 94 -9.032 13.930 -4.435 1.00 39.02 N ATOM 714 CA GLY A 94 -7.948 14.914 -4.438 1.00 39.13 C ATOM 715 C GLY A 94 -6.726 14.521 -3.637 1.00 41.57 C ATOM 716 O GLY A 94 -6.055 15.350 -2.985 1.00 40.83 O ATOM 717 N MET A 95 -6.442 13.227 -3.699 1.00 41.07 N ATOM 718 CA MET A 95 -5.329 12.630 -3.022 1.00 42.13 C ATOM 719 C MET A 95 -4.099 13.043 -3.807 1.00 41.01 C ATOM 720 O MET A 95 -4.016 12.795 -5.009 1.00 39.85 O ATOM 721 CB MET A 95 -5.472 11.119 -3.076 1.00 46.10 C ATOM 722 CG MET A 95 -4.574 10.355 -2.161 1.00 52.68 C ATOM 723 SD MET A 95 -5.219 10.268 -0.484 1.00 60.63 S ATOM 724 CE MET A 95 -4.490 11.715 0.173 1.00 61.21 C ATOM 725 N THR A 96 -3.169 13.688 -3.136 1.00 40.52 N ATOM 726 CA THR A 96 -1.950 14.082 -3.807 1.00 41.30 C ATOM 727 C THR A 96 -0.833 13.502 -2.998 1.00 40.17 C ATOM 728 O THR A 96 -0.946 13.272 -1.809 1.00 39.55 O ATOM 729 CB THR A 96 -1.764 15.609 -3.851 1.00 40.28 C ATOM 730 OG1 THR A 96 -1.638 16.089 -2.501 1.00 44.55 O ATOM 731 CG2 THR A 96 -2.903 16.261 -4.573 1.00 42.66 C ATOM 732 N LEU A 97 0.290 13.281 -3.658 1.00 41.58 N ATOM 733 CA LEU A 97 1.444 12.738 -3.004 1.00 42.09 C ATOM 734 C LEU A 97 2.447 13.878 -3.070 1.00 45.06 C ATOM 735 O LEU A 97 2.821 14.321 -4.163 1.00 45.44 O ATOM 736 CB LEU A 97 1.904 11.517 -3.791 1.00 41.17 C ATOM 737 CG LEU A 97 2.941 10.598 -3.201 1.00 39.72 C ATOM 738 CD1 LEU A 97 2.548 10.105 -1.840 1.00 37.01 C ATOM 739 CD2 LEU A 97 3.131 9.467 -4.157 1.00 29.85 C ATOM 740 N ASN A 98 2.826 14.381 -1.905 1.00 45.31 N ATOM 741 CA ASN A 98 3.742 15.494 -1.797 1.00 50.27 C ATOM 742 C ASN A 98 4.920 15.038 -0.946 1.00 51.73 C ATOM 743 O ASN A 98 4.741 14.223 -0.060 1.00 51.90 O ATOM 744 CB ASN A 98 3.072 16.684 -1.084 1.00 52.54 C ATOM 745 CG ASN A 98 1.724 17.086 -1.697 1.00 55.74 C ATOM 746 OD1 ASN A 98 1.105 18.046 -1.244 1.00 58.35 O ATOM 747 ND2 ASN A 98 1.267 16.358 -2.711 1.00 54.53 N ATOM 748 N PHE A 99 6.119 15.562 -1.204 1.00 54.12 N ATOM 749 CA PHE A 99 7.293 15.187 -0.412 1.00 55.76 C ATOM 750 C PHE A 99 8.329 16.310 -0.501 1.00 57.71 C ATOM 751 O PHE A 99 8.791 16.821 0.555 1.00 58.51 O ATOM 752 CB PHE A 99 7.867 13.829 -0.902 1.00 56.81 C ATOM 753 CG PHE A 99 8.450 13.848 -2.308 1.00 58.31 C ATOM 754 CD1 PHE A 99 9.817 13.989 -2.509 1.00 58.55 C ATOM 755 CD2 PHE A 99 7.630 13.715 -3.422 1.00 59.59 C ATOM 756 CE1 PHE A 99 10.355 13.993 -3.788 1.00 60.36 C ATOM 757 CE2 PHE A 99 8.159 13.717 -4.701 1.00 62.03 C ATOM 758 CZ PHE A 99 9.527 13.858 -4.885 1.00 62.18 C ATOM 759 OXT PHE A 99 8.649 16.690 -1.645 1.00 56.87 O TER END