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 -7.421 15.124 5.224 1.00 12.25 N ATOM 2 CA PRO A 1 -6.287 14.896 6.114 1.00 12.04 C ATOM 3 C PRO A 1 -4.963 14.787 5.387 1.00 11.24 C ATOM 4 O PRO A 1 -4.917 14.888 4.170 1.00 11.30 O ATOM 5 CB PRO A 1 -6.571 13.629 6.899 1.00 13.65 C ATOM 6 CG PRO A 1 -7.240 12.782 5.831 1.00 13.49 C ATOM 7 CD PRO A 1 -8.008 13.818 4.999 1.00 12.48 C ATOM 8 N GLN A 2 -3.904 14.677 6.186 1.00 13.04 N ATOM 9 CA GLN A 2 -2.533 14.566 5.704 1.00 13.89 C ATOM 10 C GLN A 2 -2.030 13.356 6.486 1.00 13.52 C ATOM 11 O GLN A 2 -1.978 13.445 7.725 1.00 14.22 O ATOM 12 CB GLN A 2 -1.659 15.779 6.068 1.00 12.00 C ATOM 13 CG GLN A 2 -0.257 15.481 5.569 1.00 13.95 C ATOM 14 CD GLN A 2 0.708 16.573 5.944 1.00 16.63 C ATOM 15 OE1 GLN A 2 1.191 16.645 7.084 1.00 17.48 O ATOM 16 NE2 GLN A 2 0.992 17.469 4.989 1.00 16.67 N ATOM 17 N ILE A 3 -1.671 12.296 5.753 1.00 10.78 N ATOM 18 CA ILE A 3 -1.188 11.044 6.290 1.00 9.40 C ATOM 19 C ILE A 3 0.327 10.806 6.204 1.00 10.75 C ATOM 20 O ILE A 3 0.863 10.719 5.077 1.00 11.28 O ATOM 21 CB ILE A 3 -1.907 9.866 5.524 1.00 12.03 C ATOM 22 CG1 ILE A 3 -3.380 10.216 5.341 1.00 10.10 C ATOM 23 CG2 ILE A 3 -1.695 8.514 6.245 1.00 8.13 C ATOM 24 CD1 ILE A 3 -4.213 9.031 4.817 1.00 12.54 C ATOM 25 N THR A 4 1.081 10.687 7.299 1.00 9.85 N ATOM 26 CA THR A 4 2.508 10.413 7.182 1.00 9.12 C ATOM 27 C THR A 4 2.597 8.873 7.015 1.00 10.37 C ATOM 28 O THR A 4 1.743 8.140 7.546 1.00 9.59 O ATOM 29 CB THR A 4 3.288 10.906 8.447 1.00 8.66 C ATOM 30 OG1 THR A 4 2.669 10.495 9.650 1.00 7.56 O ATOM 31 CG2 THR A 4 3.383 12.404 8.390 1.00 8.05 C ATOM 32 N LEU A 5 3.583 8.301 6.314 1.00 8.19 N ATOM 33 CA LEU A 5 3.639 6.845 6.144 1.00 8.07 C ATOM 34 C LEU A 5 4.328 5.890 7.120 1.00 7.23 C ATOM 35 O LEU A 5 4.654 4.764 6.719 1.00 5.28 O ATOM 36 CB LEU A 5 4.217 6.562 4.725 1.00 10.93 C ATOM 37 CG LEU A 5 3.428 6.909 3.454 1.00 9.98 C ATOM 38 CD1 LEU A 5 1.913 6.784 3.670 1.00 8.92 C ATOM 39 CD2 LEU A 5 3.737 8.299 3.074 1.00 7.17 C ATOM 40 N TRP A 6 4.585 6.282 8.397 1.00 6.86 N ATOM 41 CA TRP A 6 5.256 5.386 9.349 1.00 8.61 C ATOM 42 C TRP A 6 4.505 4.076 9.619 1.00 7.95 C ATOM 43 O TRP A 6 5.021 3.130 10.209 1.00 10.50 O ATOM 44 CB TRP A 6 5.524 6.100 10.679 1.00 7.12 C ATOM 45 CG TRP A 6 6.353 7.370 10.502 1.00 8.85 C ATOM 46 CD1 TRP A 6 5.757 8.615 10.351 1.00 7.71 C ATOM 47 CD2 TRP A 6 7.715 7.435 10.426 1.00 8.81 C ATOM 48 NE1 TRP A 6 6.727 9.449 10.170 1.00 7.86 N ATOM 49 CE2 TRP A 6 7.902 8.809 10.199 1.00 7.74 C ATOM 50 CE3 TRP A 6 8.788 6.561 10.509 1.00 8.40 C ATOM 51 CZ2 TRP A 6 9.172 9.346 10.042 1.00 7.31 C ATOM 52 CZ3 TRP A 6 10.058 7.108 10.349 1.00 9.44 C ATOM 53 CH2 TRP A 6 10.255 8.484 10.117 1.00 7.81 C ATOM 54 N GLN A 7 3.266 3.984 9.172 1.00 7.94 N ATOM 55 CA GLN A 7 2.440 2.813 9.306 1.00 7.53 C ATOM 56 C GLN A 7 1.551 2.843 8.057 1.00 7.68 C ATOM 57 O GLN A 7 1.440 3.887 7.416 1.00 5.87 O ATOM 58 CB GLN A 7 1.640 2.905 10.601 1.00 10.30 C ATOM 59 CG GLN A 7 0.777 4.079 10.925 1.00 8.80 C ATOM 60 CD GLN A 7 -0.098 3.728 12.136 1.00 12.14 C ATOM 61 OE1 GLN A 7 -0.205 4.507 13.073 1.00 14.83 O ATOM 62 NE2 GLN A 7 -0.782 2.595 12.250 1.00 12.03 N ATOM 63 N ARG A 8 0.951 1.710 7.675 1.00 8.49 N ATOM 64 CA ARG A 8 0.070 1.551 6.508 1.00 6.76 C ATOM 65 C ARG A 8 -1.009 2.614 6.380 1.00 5.29 C ATOM 66 O ARG A 8 -1.722 2.733 7.357 1.00 5.40 O ATOM 67 CB ARG A 8 -0.700 0.240 6.512 1.00 7.96 C ATOM 68 CG ARG A 8 -0.091 -1.129 6.217 1.00 11.36 C ATOM 69 CD ARG A 8 -1.286 -1.935 5.643 1.00 14.41 C ATOM 70 NE ARG A 8 -0.985 -3.340 5.305 1.00 18.10 N ATOM 71 CZ ARG A 8 -1.813 -4.373 5.620 1.00 16.24 C ATOM 72 NH1 ARG A 8 -2.985 -4.231 6.274 1.00 16.27 N ATOM 73 NH2 ARG A 8 -1.429 -5.591 5.270 1.00 17.22 N ATOM 74 N PRO A 9 -1.248 3.350 5.271 1.00 4.74 N ATOM 75 CA PRO A 9 -2.393 4.263 5.116 1.00 4.70 C ATOM 76 C PRO A 9 -3.757 3.587 4.934 1.00 4.96 C ATOM 77 O PRO A 9 -4.281 3.416 3.841 1.00 5.69 O ATOM 78 CB PRO A 9 -1.948 5.146 3.972 1.00 5.01 C ATOM 79 CG PRO A 9 -1.095 4.269 3.106 1.00 5.07 C ATOM 80 CD PRO A 9 -0.386 3.346 4.094 1.00 4.81 C ATOM 81 N LEU A 10 -4.315 3.138 6.057 1.00 6.14 N ATOM 82 CA LEU A 10 -5.597 2.467 6.052 1.00 7.04 C ATOM 83 C LEU A 10 -6.638 3.545 6.260 1.00 6.62 C ATOM 84 O LEU A 10 -6.312 4.449 7.027 1.00 7.30 O ATOM 85 CB LEU A 10 -5.606 1.430 7.166 1.00 8.14 C ATOM 86 CG LEU A 10 -4.636 0.308 6.900 1.00 8.81 C ATOM 87 CD1 LEU A 10 -4.631 -0.777 7.967 1.00 11.84 C ATOM 88 CD2 LEU A 10 -5.093 -0.332 5.616 1.00 14.06 C ATOM 89 N VAL A 11 -7.802 3.519 5.584 1.00 4.57 N ATOM 90 CA VAL A 11 -8.850 4.509 5.710 1.00 3.81 C ATOM 91 C VAL A 11 -10.227 3.810 5.719 1.00 5.51 C ATOM 92 O VAL A 11 -10.330 2.637 5.342 1.00 7.94 O ATOM 93 CB VAL A 11 -8.576 5.463 4.531 1.00 3.14 C ATOM 94 CG1 VAL A 11 -9.569 5.273 3.425 1.00 3.88 C ATOM 95 CG2 VAL A 11 -8.554 6.892 5.047 1.00 6.74 C ATOM 96 N THR A 12 -11.305 4.418 6.173 1.00 6.04 N ATOM 97 CA THR A 12 -12.602 3.776 6.161 1.00 7.33 C ATOM 98 C THR A 12 -13.363 4.183 4.900 1.00 7.22 C ATOM 99 O THR A 12 -13.351 5.350 4.462 1.00 6.75 O ATOM 100 CB THR A 12 -13.465 4.165 7.391 1.00 7.31 C ATOM 101 OG1 THR A 12 -12.776 3.662 8.528 1.00 10.77 O ATOM 102 CG2 THR A 12 -14.839 3.533 7.398 1.00 8.22 C ATOM 103 N ILE A 13 -13.967 3.137 4.331 1.00 6.53 N ATOM 104 CA ILE A 13 -14.754 3.260 3.140 1.00 7.46 C ATOM 105 C ILE A 13 -16.105 2.595 3.351 1.00 6.65 C ATOM 106 O ILE A 13 -16.273 1.722 4.194 1.00 7.68 O ATOM 107 CB ILE A 13 -14.090 2.595 1.886 1.00 6.69 C ATOM 108 CG1 ILE A 13 -13.971 1.102 2.025 1.00 8.33 C ATOM 109 CG2 ILE A 13 -12.753 3.246 1.682 1.00 8.18 C ATOM 110 CD1 ILE A 13 -13.584 0.295 0.778 1.00 6.19 C ATOM 111 N LYS A 14 -17.077 3.001 2.575 1.00 6.02 N ATOM 112 CA LYS A 14 -18.413 2.456 2.626 1.00 5.83 C ATOM 113 C LYS A 14 -18.773 2.246 1.149 1.00 5.73 C ATOM 114 O LYS A 14 -18.748 3.185 0.359 1.00 4.22 O ATOM 115 CB LYS A 14 -19.346 3.440 3.321 1.00 5.39 C ATOM 116 CG LYS A 14 -20.753 2.916 3.304 1.00 6.67 C ATOM 117 CD LYS A 14 -21.691 3.802 4.053 1.00 5.47 C ATOM 118 CE LYS A 14 -23.053 3.226 3.758 1.00 2.82 C ATOM 119 NZ LYS A 14 -24.066 3.992 4.461 1.00 5.03 N ATOM 120 N ILE A 15 -18.985 0.977 0.796 1.00 6.42 N ATOM 121 CA ILE A 15 -19.326 0.450 -0.540 1.00 8.68 C ATOM 122 C ILE A 15 -20.472 -0.524 -0.279 1.00 9.24 C ATOM 123 O ILE A 15 -20.446 -1.342 0.668 1.00 11.75 O ATOM 124 CB ILE A 15 -18.282 -0.480 -1.267 1.00 8.48 C ATOM 125 CG1 ILE A 15 -16.963 -0.131 -0.756 1.00 8.87 C ATOM 126 CG2 ILE A 15 -18.293 -0.397 -2.797 1.00 11.13 C ATOM 127 CD1 ILE A 15 -16.761 -1.052 0.439 1.00 8.76 C ATOM 128 N GLY A 16 -21.504 -0.384 -1.095 1.00 7.99 N ATOM 129 CA GLY A 16 -22.602 -1.330 -1.111 1.00 9.15 C ATOM 130 C GLY A 16 -23.206 -1.743 0.233 1.00 9.51 C ATOM 131 O GLY A 16 -23.412 -2.944 0.490 1.00 7.27 O ATOM 132 N GLY A 17 -23.510 -0.644 0.981 1.00 8.64 N ATOM 133 CA GLY A 17 -24.122 -0.662 2.298 1.00 5.84 C ATOM 134 C GLY A 17 -23.208 -1.183 3.397 1.00 5.78 C ATOM 135 O GLY A 17 -23.650 -1.343 4.527 1.00 5.41 O ATOM 136 N GLN A 18 -21.922 -1.420 3.161 1.00 6.05 N ATOM 137 CA GLN A 18 -21.065 -2.038 4.164 1.00 6.59 C ATOM 138 C GLN A 18 -19.843 -1.164 4.355 1.00 6.95 C ATOM 139 O GLN A 18 -19.553 -0.322 3.478 1.00 5.68 O ATOM 140 CB GLN A 18 -20.652 -3.426 3.694 1.00 8.64 C ATOM 141 CG GLN A 18 -21.746 -4.298 3.075 1.00 8.46 C ATOM 142 CD GLN A 18 -21.156 -5.386 2.200 1.00 10.18 C ATOM 143 OE1 GLN A 18 -20.387 -6.231 2.676 1.00 8.22 O ATOM 144 NE2 GLN A 18 -21.472 -5.346 0.916 1.00 9.71 N ATOM 145 N LEU A 19 -19.188 -1.447 5.503 1.00 5.46 N ATOM 146 CA LEU A 19 -17.991 -0.750 5.976 1.00 6.00 C ATOM 147 C LEU A 19 -16.663 -1.436 5.956 1.00 6.05 C ATOM 148 O LEU A 19 -16.606 -2.483 6.551 1.00 8.24 O ATOM 149 CB LEU A 19 -18.141 -0.272 7.433 1.00 7.48 C ATOM 150 CG LEU A 19 -18.855 1.020 7.851 1.00 6.76 C ATOM 151 CD1 LEU A 19 -19.806 1.481 6.776 1.00 7.05 C ATOM 152 CD2 LEU A 19 -19.606 0.791 9.150 1.00 8.58 C ATOM 153 N LYS A 20 -15.582 -0.954 5.332 1.00 7.03 N ATOM 154 CA LYS A 20 -14.283 -1.613 5.326 1.00 5.30 C ATOM 155 C LYS A 20 -13.191 -0.585 5.482 1.00 5.76 C ATOM 156 O LYS A 20 -13.409 0.630 5.557 1.00 5.40 O ATOM 157 CB LYS A 20 -13.966 -2.366 4.052 1.00 5.99 C ATOM 158 CG LYS A 20 -14.881 -3.573 3.838 1.00 7.76 C ATOM 159 CD LYS A 20 -16.012 -3.097 2.921 1.00 8.98 C ATOM 160 CE LYS A 20 -17.171 -4.074 2.721 1.00 13.68 C ATOM 161 NZ LYS A 20 -18.289 -3.499 1.959 1.00 17.33 N ATOM 162 N GLU A 21 -12.017 -1.147 5.741 1.00 6.99 N ATOM 163 CA GLU A 21 -10.802 -0.379 5.921 1.00 8.64 C ATOM 164 C GLU A 21 -10.099 -0.670 4.615 1.00 6.94 C ATOM 165 O GLU A 21 -10.105 -1.829 4.184 1.00 9.65 O ATOM 166 CB GLU A 21 -9.886 -0.875 7.079 1.00 10.80 C ATOM 167 CG GLU A 21 -10.175 -0.451 8.546 1.00 11.52 C ATOM 168 CD GLU A 21 -9.174 -0.969 9.598 1.00 14.14 C ATOM 169 OE1 GLU A 21 -7.967 -0.977 9.317 1.00 15.13 O ATOM 170 OE2 GLU A 21 -9.587 -1.364 10.701 1.00 14.16 O ATOM 171 N ALA A 22 -9.581 0.303 3.922 1.00 6.29 N ATOM 172 CA ALA A 22 -8.874 0.065 2.667 1.00 8.06 C ATOM 173 C ALA A 22 -7.559 0.851 2.691 1.00 8.04 C ATOM 174 O ALA A 22 -7.385 1.797 3.457 1.00 6.89 O ATOM 175 CB ALA A 22 -9.702 0.513 1.482 1.00 7.10 C ATOM 176 N LEU A 23 -6.613 0.456 1.862 1.00 8.41 N ATOM 177 CA LEU A 23 -5.317 1.088 1.794 1.00 8.30 C ATOM 178 C LEU A 23 -5.179 1.996 0.587 1.00 8.19 C ATOM 179 O LEU A 23 -5.407 1.570 -0.554 1.00 9.15 O ATOM 180 CB LEU A 23 -4.328 -0.096 1.832 1.00 8.79 C ATOM 181 CG LEU A 23 -2.867 -0.016 1.458 1.00 7.91 C ATOM 182 CD1 LEU A 23 -2.167 0.956 2.333 1.00 10.28 C ATOM 183 CD2 LEU A 23 -2.228 -1.361 1.651 1.00 9.37 C ATOM 184 N LEU A 24 -4.818 3.260 0.830 1.00 8.49 N ATOM 185 CA LEU A 24 -4.643 4.254 -0.242 1.00 4.98 C ATOM 186 C LEU A 24 -3.357 3.812 -0.860 1.00 4.66 C ATOM 187 O LEU A 24 -2.378 3.660 -0.150 1.00 5.13 O ATOM 188 CB LEU A 24 -4.583 5.643 0.378 1.00 4.05 C ATOM 189 CG LEU A 24 -5.911 6.396 0.550 1.00 2.04 C ATOM 190 CD1 LEU A 24 -7.062 5.485 0.960 1.00 2.54 C ATOM 191 CD2 LEU A 24 -5.653 7.476 1.549 1.00 2.75 C ATOM 192 N ASP A 25 -3.387 3.552 -2.159 1.00 5.42 N ATOM 193 CA ASP A 25 -2.243 3.063 -2.871 1.00 4.71 C ATOM 194 C ASP A 25 -1.823 3.705 -4.173 1.00 4.67 C ATOM 195 O ASP A 25 -2.370 3.418 -5.222 1.00 4.59 O ATOM 196 CB ASP A 25 -2.561 1.618 -3.031 1.00 5.06 C ATOM 197 CG ASP A 25 -1.501 0.637 -3.430 1.00 3.32 C ATOM 198 OD1 ASP A 25 -0.416 0.962 -3.844 1.00 4.86 O ATOM 199 OD2 ASP A 25 -1.798 -0.528 -3.313 1.00 10.12 O ATOM 200 N THR A 26 -0.749 4.466 -4.132 1.00 5.04 N ATOM 201 CA THR A 26 -0.222 5.151 -5.307 1.00 4.12 C ATOM 202 C THR A 26 0.351 4.136 -6.291 1.00 5.12 C ATOM 203 O THR A 26 0.425 4.389 -7.470 1.00 6.32 O ATOM 204 CB THR A 26 0.824 6.152 -4.805 1.00 4.62 C ATOM 205 OG1 THR A 26 1.764 5.411 -4.041 1.00 6.45 O ATOM 206 CG2 THR A 26 0.256 7.213 -3.883 1.00 2.00 C ATOM 207 N GLY A 27 0.757 2.941 -5.893 1.00 4.95 N ATOM 208 CA GLY A 27 1.255 1.993 -6.860 1.00 6.15 C ATOM 209 C GLY A 27 0.129 1.139 -7.433 1.00 6.28 C ATOM 210 O GLY A 27 0.403 0.084 -8.046 1.00 5.37 O ATOM 211 N ALA A 28 -1.150 1.459 -7.173 1.00 5.08 N ATOM 212 CA ALA A 28 -2.180 0.619 -7.770 1.00 7.25 C ATOM 213 C ALA A 28 -2.939 1.481 -8.755 1.00 6.78 C ATOM 214 O ALA A 28 -3.312 2.615 -8.463 1.00 7.40 O ATOM 215 CB ALA A 28 -3.124 0.061 -6.717 1.00 5.88 C ATOM 216 N ASP A 29 -3.026 1.009 -9.990 1.00 5.91 N ATOM 217 CA ASP A 29 -3.725 1.732 -11.029 1.00 5.58 C ATOM 218 C ASP A 29 -5.192 1.636 -10.747 1.00 4.39 C ATOM 219 O ASP A 29 -5.885 2.630 -10.859 1.00 5.35 O ATOM 220 CB ASP A 29 -3.534 1.159 -12.418 1.00 4.13 C ATOM 221 CG ASP A 29 -2.103 1.121 -12.927 1.00 7.47 C ATOM 222 OD1 ASP A 29 -1.252 1.889 -12.485 1.00 5.98 O ATOM 223 OD2 ASP A 29 -1.842 0.278 -13.777 1.00 9.20 O ATOM 224 N ASP A 30 -5.619 0.476 -10.260 1.00 3.77 N ATOM 225 CA ASP A 30 -7.008 0.246 -9.966 1.00 4.71 C ATOM 226 C ASP A 30 -7.181 -0.106 -8.503 1.00 5.96 C ATOM 227 O ASP A 30 -6.223 -0.395 -7.770 1.00 6.52 O ATOM 228 CB ASP A 30 -7.539 -0.917 -10.773 1.00 7.03 C ATOM 229 CG ASP A 30 -6.983 -1.086 -12.169 1.00 10.62 C ATOM 230 OD1 ASP A 30 -7.152 -0.143 -12.950 1.00 12.74 O ATOM 231 OD2 ASP A 30 -6.389 -2.145 -12.449 1.00 11.34 O ATOM 232 N THR A 31 -8.470 -0.132 -8.189 1.00 4.78 N ATOM 233 CA THR A 31 -8.986 -0.439 -6.886 1.00 3.67 C ATOM 234 C THR A 31 -9.415 -1.903 -6.849 1.00 2.94 C ATOM 235 O THR A 31 -10.234 -2.319 -7.649 1.00 3.22 O ATOM 236 CB THR A 31 -10.188 0.522 -6.590 1.00 3.04 C ATOM 237 OG1 THR A 31 -9.681 1.831 -6.804 1.00 4.03 O ATOM 238 CG2 THR A 31 -10.735 0.445 -5.191 1.00 2.00 C ATOM 239 N VAL A 32 -8.853 -2.698 -5.948 1.00 4.38 N ATOM 240 CA VAL A 32 -9.230 -4.074 -5.863 1.00 5.57 C ATOM 241 C VAL A 32 -9.511 -4.368 -4.406 1.00 6.28 C ATOM 242 O VAL A 32 -8.742 -4.175 -3.480 1.00 6.13 O ATOM 243 CB VAL A 32 -8.130 -4.982 -6.473 1.00 4.17 C ATOM 244 CG1 VAL A 32 -6.795 -4.693 -5.899 1.00 5.76 C ATOM 245 CG2 VAL A 32 -8.591 -6.439 -6.303 1.00 6.15 C ATOM 246 N LEU A 33 -10.766 -4.734 -4.299 1.00 7.34 N ATOM 247 CA LEU A 33 -11.453 -5.093 -3.080 1.00 8.26 C ATOM 248 C LEU A 33 -11.592 -6.590 -3.013 1.00 8.20 C ATOM 249 O LEU A 33 -11.740 -7.269 -4.043 1.00 9.69 O ATOM 250 CB LEU A 33 -12.878 -4.534 -3.010 1.00 6.17 C ATOM 251 CG LEU A 33 -13.130 -3.110 -2.600 1.00 6.67 C ATOM 252 CD1 LEU A 33 -12.757 -2.179 -3.745 1.00 6.37 C ATOM 253 CD2 LEU A 33 -14.604 -2.944 -2.282 1.00 5.73 C ATOM 254 N GLU A 34 -11.577 -7.043 -1.758 1.00 10.06 N ATOM 255 CA GLU A 34 -11.701 -8.445 -1.451 1.00 12.56 C ATOM 256 C GLU A 34 -13.022 -8.965 -1.980 1.00 11.93 C ATOM 257 O GLU A 34 -13.884 -8.218 -2.478 1.00 12.68 O ATOM 258 CB GLU A 34 -11.606 -8.648 0.051 1.00 12.74 C ATOM 259 CG GLU A 34 -10.188 -8.428 0.574 1.00 14.87 C ATOM 260 CD GLU A 34 -10.027 -8.727 2.082 1.00 17.74 C ATOM 261 OE1 GLU A 34 -10.348 -7.874 2.926 1.00 16.77 O ATOM 262 OE2 GLU A 34 -9.549 -9.821 2.411 1.00 19.06 O ATOM 263 N GLU A 35 -13.151 -10.283 -1.978 1.00 13.86 N ATOM 264 CA GLU A 35 -14.391 -10.879 -2.461 1.00 13.32 C ATOM 265 C GLU A 35 -15.571 -10.338 -1.663 1.00 12.92 C ATOM 266 O GLU A 35 -15.731 -10.607 -0.468 1.00 13.74 O ATOM 267 CB GLU A 35 -14.306 -12.415 -2.342 1.00 14.11 C ATOM 268 CG GLU A 35 -15.570 -13.108 -2.914 1.00 15.49 C ATOM 269 CD GLU A 35 -15.986 -12.479 -4.245 1.00 14.77 C ATOM 270 OE1 GLU A 35 -15.301 -12.690 -5.244 1.00 10.45 O ATOM 271 OE2 GLU A 35 -16.970 -11.726 -4.233 1.00 16.87 O ATOM 272 N MET A 36 -16.395 -9.500 -2.256 1.00 13.48 N ATOM 273 CA MET A 36 -17.481 -9.023 -1.440 1.00 15.19 C ATOM 274 C MET A 36 -18.821 -9.013 -2.107 1.00 16.18 C ATOM 275 O MET A 36 -18.999 -9.072 -3.313 1.00 18.32 O ATOM 276 CB MET A 36 -17.179 -7.633 -0.933 1.00 14.74 C ATOM 277 CG MET A 36 -16.945 -6.592 -2.045 1.00 16.50 C ATOM 278 SD MET A 36 -17.198 -5.041 -1.190 1.00 15.42 S ATOM 279 CE MET A 36 -18.957 -5.211 -1.124 1.00 17.30 C ATOM 280 N SER A 37 -19.748 -8.909 -1.198 1.00 17.21 N ATOM 281 CA SER A 37 -21.182 -8.869 -1.407 1.00 16.99 C ATOM 282 C SER A 37 -21.530 -7.549 -2.162 1.00 16.52 C ATOM 283 O SER A 37 -22.002 -6.555 -1.564 1.00 17.15 O ATOM 284 CB SER A 37 -21.705 -9.034 0.056 1.00 17.84 C ATOM 285 OG SER A 37 -20.651 -9.186 1.082 1.00 16.24 O ATOM 286 N LEU A 38 -21.248 -7.493 -3.475 1.00 14.90 N ATOM 287 CA LEU A 38 -21.488 -6.331 -4.308 1.00 13.59 C ATOM 288 C LEU A 38 -22.234 -6.709 -5.574 1.00 15.31 C ATOM 289 O LEU A 38 -21.815 -7.698 -6.217 1.00 17.16 O ATOM 290 CB LEU A 38 -20.189 -5.765 -4.684 1.00 14.76 C ATOM 291 CG LEU A 38 -20.069 -4.349 -5.130 1.00 14.96 C ATOM 292 CD1 LEU A 38 -20.514 -3.355 -4.039 1.00 13.12 C ATOM 293 CD2 LEU A 38 -18.592 -4.181 -5.496 1.00 14.52 C ATOM 294 N PRO A 39 -23.324 -5.968 -5.926 1.00 15.49 N ATOM 295 CA PRO A 39 -24.281 -6.256 -7.008 1.00 14.73 C ATOM 296 C PRO A 39 -24.285 -5.445 -8.314 1.00 15.75 C ATOM 297 O PRO A 39 -24.092 -4.218 -8.336 1.00 15.92 O ATOM 298 CB PRO A 39 -25.586 -6.159 -6.269 1.00 16.90 C ATOM 299 CG PRO A 39 -25.395 -4.873 -5.461 1.00 14.84 C ATOM 300 CD PRO A 39 -23.951 -4.997 -5.002 1.00 14.33 C ATOM 301 N GLY A 40 -24.632 -6.098 -9.427 1.00 15.93 N ATOM 302 CA GLY A 40 -24.644 -5.511 -10.786 1.00 14.63 C ATOM 303 C GLY A 40 -24.036 -6.502 -11.824 1.00 13.70 C ATOM 304 O GLY A 40 -23.781 -7.696 -11.512 1.00 11.47 O ATOM 305 N ARG A 41 -23.866 -6.117 -13.092 1.00 14.05 N ATOM 306 CA ARG A 41 -23.135 -7.059 -13.939 1.00 15.73 C ATOM 307 C ARG A 41 -21.691 -6.713 -13.709 1.00 14.39 C ATOM 308 O ARG A 41 -21.360 -5.611 -13.243 1.00 16.04 O ATOM 309 CB ARG A 41 -23.404 -6.938 -15.431 1.00 16.30 C ATOM 310 CG ARG A 41 -22.869 -5.664 -16.137 1.00 19.38 C ATOM 311 CD ARG A 41 -23.924 -5.122 -17.123 1.00 20.78 C ATOM 312 NE ARG A 41 -25.227 -4.988 -16.458 1.00 22.81 N ATOM 313 CZ ARG A 41 -26.259 -4.330 -17.002 1.00 24.42 C ATOM 314 NH1 ARG A 41 -26.161 -3.676 -18.197 1.00 21.03 N ATOM 315 NH2 ARG A 41 -27.409 -4.324 -16.266 1.00 25.88 N ATOM 316 N TRP A 42 -20.857 -7.691 -13.994 1.00 13.76 N ATOM 317 CA TRP A 42 -19.432 -7.543 -13.848 1.00 14.26 C ATOM 318 C TRP A 42 -18.838 -8.337 -14.994 1.00 13.74 C ATOM 319 O TRP A 42 -19.464 -9.290 -15.482 1.00 12.71 O ATOM 320 CB TRP A 42 -18.918 -8.120 -12.498 1.00 13.40 C ATOM 321 CG TRP A 42 -19.178 -9.594 -12.248 1.00 12.76 C ATOM 322 CD1 TRP A 42 -20.190 -9.926 -11.418 1.00 14.44 C ATOM 323 CD2 TRP A 42 -18.505 -10.696 -12.748 1.00 14.73 C ATOM 324 NE1 TRP A 42 -20.178 -11.237 -11.369 1.00 15.02 N ATOM 325 CE2 TRP A 42 -19.209 -11.749 -12.135 1.00 15.58 C ATOM 326 CE3 TRP A 42 -17.426 -11.000 -13.592 1.00 14.36 C ATOM 327 CZ2 TRP A 42 -18.872 -13.104 -12.338 1.00 14.65 C ATOM 328 CZ3 TRP A 42 -17.078 -12.341 -13.788 1.00 15.54 C ATOM 329 CH2 TRP A 42 -17.791 -13.387 -13.172 1.00 15.50 C ATOM 330 N LYS A 43 -17.633 -7.975 -15.414 1.00 14.19 N ATOM 331 CA LYS A 43 -16.966 -8.695 -16.516 1.00 12.84 C ATOM 332 C LYS A 43 -15.672 -9.285 -15.912 1.00 12.42 C ATOM 333 O LYS A 43 -15.040 -8.582 -15.105 1.00 12.34 O ATOM 334 CB LYS A 43 -16.610 -7.728 -17.663 1.00 12.38 C ATOM 335 CG LYS A 43 -17.673 -6.692 -18.056 1.00 11.97 C ATOM 336 CD LYS A 43 -16.943 -5.383 -18.369 1.00 10.32 C ATOM 337 CE LYS A 43 -17.866 -4.218 -18.739 1.00 10.88 C ATOM 338 NZ LYS A 43 -17.126 -2.968 -18.840 1.00 14.04 N ATOM 339 N PRO A 44 -15.249 -10.534 -16.167 1.00 12.49 N ATOM 340 CA PRO A 44 -13.860 -10.981 -15.975 1.00 12.29 C ATOM 341 C PRO A 44 -12.818 -9.965 -16.488 1.00 13.11 C ATOM 342 O PRO A 44 -13.053 -9.387 -17.569 1.00 14.64 O ATOM 343 CB PRO A 44 -13.812 -12.309 -16.717 1.00 11.14 C ATOM 344 CG PRO A 44 -15.219 -12.861 -16.653 1.00 9.73 C ATOM 345 CD PRO A 44 -16.050 -11.581 -16.808 1.00 12.32 C ATOM 346 N LYS A 45 -11.756 -9.703 -15.703 1.00 11.02 N ATOM 347 CA LYS A 45 -10.649 -8.809 -16.000 1.00 10.76 C ATOM 348 C LYS A 45 -9.449 -9.455 -15.300 1.00 12.36 C ATOM 349 O LYS A 45 -9.622 -10.220 -14.330 1.00 15.27 O ATOM 350 CB LYS A 45 -10.761 -7.399 -15.405 1.00 10.49 C ATOM 351 CG LYS A 45 -9.886 -6.441 -16.250 1.00 8.96 C ATOM 352 CD LYS A 45 -8.912 -5.392 -15.643 1.00 10.24 C ATOM 353 CE LYS A 45 -9.485 -3.993 -15.319 1.00 12.23 C ATOM 354 NZ LYS A 45 -8.416 -3.011 -15.143 1.00 14.48 N ATOM 355 N MET A 46 -8.195 -9.269 -15.695 1.00 12.65 N ATOM 356 CA MET A 46 -7.103 -9.922 -14.963 1.00 11.70 C ATOM 357 C MET A 46 -6.067 -8.903 -14.588 1.00 11.14 C ATOM 358 O MET A 46 -5.919 -7.886 -15.271 1.00 11.82 O ATOM 359 CB MET A 46 -6.449 -11.001 -15.810 1.00 14.43 C ATOM 360 CG MET A 46 -7.311 -12.251 -15.802 1.00 16.72 C ATOM 361 SD MET A 46 -6.775 -13.600 -16.873 1.00 19.41 S ATOM 362 CE MET A 46 -8.055 -13.435 -18.126 1.00 17.30 C ATOM 363 N ILE A 47 -5.351 -9.100 -13.500 1.00 11.01 N ATOM 364 CA ILE A 47 -4.350 -8.145 -13.096 1.00 9.00 C ATOM 365 C ILE A 47 -3.084 -8.810 -12.581 1.00 9.22 C ATOM 366 O ILE A 47 -3.046 -9.931 -12.051 1.00 7.96 O ATOM 367 CB ILE A 47 -4.891 -7.160 -11.981 1.00 9.89 C ATOM 368 CG1 ILE A 47 -5.667 -7.925 -10.912 1.00 9.37 C ATOM 369 CG2 ILE A 47 -5.744 -6.051 -12.641 1.00 12.26 C ATOM 370 CD1 ILE A 47 -5.901 -7.095 -9.640 1.00 9.22 C ATOM 371 N GLY A 48 -2.069 -7.982 -12.798 1.00 7.80 N ATOM 372 CA GLY A 48 -0.730 -8.262 -12.366 1.00 8.99 C ATOM 373 C GLY A 48 -0.370 -7.441 -11.138 1.00 6.73 C ATOM 374 O GLY A 48 -0.699 -6.246 -11.050 1.00 10.24 O ATOM 375 N GLY A 49 0.248 -8.103 -10.197 1.00 4.83 N ATOM 376 CA GLY A 49 0.774 -7.551 -8.961 1.00 6.46 C ATOM 377 C GLY A 49 2.211 -8.038 -8.827 1.00 6.46 C ATOM 378 O GLY A 49 2.674 -8.601 -9.830 1.00 7.11 O ATOM 379 N ILE A 50 2.994 -7.917 -7.720 1.00 7.66 N ATOM 380 CA ILE A 50 4.342 -8.498 -7.747 1.00 9.86 C ATOM 381 C ILE A 50 4.345 -10.028 -7.863 1.00 10.74 C ATOM 382 O ILE A 50 5.158 -10.509 -8.646 1.00 11.89 O ATOM 383 CB ILE A 50 5.318 -8.202 -6.512 1.00 10.93 C ATOM 384 CG1 ILE A 50 4.635 -8.406 -5.198 1.00 10.86 C ATOM 385 CG2 ILE A 50 5.948 -6.797 -6.723 1.00 11.06 C ATOM 386 CD1 ILE A 50 4.881 -9.810 -4.629 1.00 13.68 C ATOM 387 N GLY A 51 3.473 -10.795 -7.191 1.00 9.46 N ATOM 388 CA GLY A 51 3.506 -12.236 -7.261 1.00 10.79 C ATOM 389 C GLY A 51 2.871 -12.720 -8.543 1.00 12.73 C ATOM 390 O GLY A 51 2.882 -13.916 -8.795 1.00 14.69 O ATOM 391 N GLY A 52 2.250 -11.922 -9.419 1.00 14.56 N ATOM 392 CA GLY A 52 1.744 -12.529 -10.636 1.00 14.01 C ATOM 393 C GLY A 52 0.350 -12.124 -10.976 1.00 12.33 C ATOM 394 O GLY A 52 0.069 -10.923 -10.892 1.00 10.42 O ATOM 395 N PHE A 53 -0.516 -13.092 -11.347 1.00 11.45 N ATOM 396 CA PHE A 53 -1.830 -12.662 -11.855 1.00 12.04 C ATOM 397 C PHE A 53 -3.155 -13.271 -11.376 1.00 11.86 C ATOM 398 O PHE A 53 -3.415 -14.486 -11.407 1.00 12.12 O ATOM 399 CB PHE A 53 -1.865 -12.749 -13.384 1.00 11.82 C ATOM 400 CG PHE A 53 -0.849 -11.998 -14.269 1.00 12.21 C ATOM 401 CD1 PHE A 53 0.545 -12.277 -14.216 1.00 12.62 C ATOM 402 CD2 PHE A 53 -1.322 -11.039 -15.180 1.00 13.42 C ATOM 403 CE1 PHE A 53 1.439 -11.607 -15.065 1.00 12.81 C ATOM 404 CE2 PHE A 53 -0.411 -10.370 -16.028 1.00 13.55 C ATOM 405 CZ PHE A 53 0.963 -10.653 -15.968 1.00 12.39 C ATOM 406 N ILE A 54 -4.040 -12.401 -10.893 1.00 12.18 N ATOM 407 CA ILE A 54 -5.335 -12.883 -10.427 1.00 10.88 C ATOM 408 C ILE A 54 -6.412 -12.474 -11.448 1.00 11.40 C ATOM 409 O ILE A 54 -6.194 -11.577 -12.284 1.00 11.84 O ATOM 410 CB ILE A 54 -5.671 -12.334 -8.964 1.00 9.99 C ATOM 411 CG1 ILE A 54 -5.851 -10.816 -8.812 1.00 9.78 C ATOM 412 CG2 ILE A 54 -4.534 -12.872 -8.123 1.00 7.00 C ATOM 413 CD1 ILE A 54 -6.298 -10.396 -7.372 1.00 6.43 C ATOM 414 N LYS A 55 -7.546 -13.184 -11.411 1.00 11.52 N ATOM 415 CA LYS A 55 -8.698 -12.960 -12.285 1.00 13.16 C ATOM 416 C LYS A 55 -9.608 -12.257 -11.323 1.00 11.88 C ATOM 417 O LYS A 55 -9.740 -12.781 -10.216 1.00 13.82 O ATOM 418 CB LYS A 55 -9.509 -14.194 -12.672 1.00 14.07 C ATOM 419 CG LYS A 55 -8.688 -15.450 -12.909 1.00 16.56 C ATOM 420 CD LYS A 55 -7.660 -15.312 -14.057 1.00 18.70 C ATOM 421 CE LYS A 55 -7.142 -16.718 -14.440 1.00 20.11 C ATOM 422 NZ LYS A 55 -6.598 -17.461 -13.298 1.00 19.01 N ATOM 423 N VAL A 56 -10.249 -11.166 -11.711 1.00 12.02 N ATOM 424 CA VAL A 56 -11.148 -10.402 -10.847 1.00 12.07 C ATOM 425 C VAL A 56 -12.347 -10.048 -11.684 1.00 11.94 C ATOM 426 O VAL A 56 -12.315 -10.139 -12.925 1.00 11.77 O ATOM 427 CB VAL A 56 -10.487 -9.108 -10.321 1.00 10.98 C ATOM 428 CG1 VAL A 56 -9.457 -9.449 -9.269 1.00 8.21 C ATOM 429 CG2 VAL A 56 -9.738 -8.401 -11.438 1.00 10.77 C ATOM 430 N ARG A 57 -13.410 -9.648 -10.998 1.00 11.28 N ATOM 431 CA ARG A 57 -14.618 -9.312 -11.697 1.00 10.03 C ATOM 432 C ARG A 57 -14.737 -7.798 -11.527 1.00 9.92 C ATOM 433 O ARG A 57 -14.506 -7.221 -10.466 1.00 10.41 O ATOM 434 CB ARG A 57 -15.632 -10.264 -11.009 1.00 10.29 C ATOM 435 CG ARG A 57 -16.542 -9.758 -9.935 1.00 11.58 C ATOM 436 CD ARG A 57 -16.984 -10.827 -8.946 1.00 12.67 C ATOM 437 NE ARG A 57 -17.739 -11.969 -9.429 1.00 10.97 N ATOM 438 CZ ARG A 57 -18.937 -12.262 -8.892 1.00 15.54 C ATOM 439 NH1 ARG A 57 -19.536 -11.437 -7.995 1.00 16.26 N ATOM 440 NH2 ARG A 57 -19.611 -13.358 -9.308 1.00 13.96 N ATOM 441 N GLN A 58 -14.816 -7.154 -12.659 1.00 10.16 N ATOM 442 CA GLN A 58 -14.925 -5.723 -12.779 1.00 10.50 C ATOM 443 C GLN A 58 -16.323 -5.129 -12.632 1.00 10.17 C ATOM 444 O GLN A 58 -17.243 -5.631 -13.266 1.00 10.19 O ATOM 445 CB GLN A 58 -14.369 -5.344 -14.132 1.00 11.49 C ATOM 446 CG GLN A 58 -14.342 -3.862 -14.372 1.00 12.82 C ATOM 447 CD GLN A 58 -13.829 -3.457 -15.747 1.00 14.71 C ATOM 448 OE1 GLN A 58 -14.345 -2.512 -16.368 1.00 11.40 O ATOM 449 NE2 GLN A 58 -12.795 -4.139 -16.249 1.00 16.24 N ATOM 450 N TYR A 59 -16.576 -4.146 -11.802 1.00 8.58 N ATOM 451 CA TYR A 59 -17.900 -3.576 -11.712 1.00 7.70 C ATOM 452 C TYR A 59 -17.591 -2.139 -12.029 1.00 8.16 C ATOM 453 O TYR A 59 -16.598 -1.584 -11.537 1.00 7.52 O ATOM 454 CB TYR A 59 -18.543 -3.572 -10.321 1.00 6.95 C ATOM 455 CG TYR A 59 -18.948 -4.934 -9.867 1.00 8.28 C ATOM 456 CD1 TYR A 59 -17.952 -5.740 -9.322 1.00 8.85 C ATOM 457 CD2 TYR A 59 -20.267 -5.390 -9.993 1.00 9.99 C ATOM 458 CE1 TYR A 59 -18.258 -7.023 -8.902 1.00 10.18 C ATOM 459 CE2 TYR A 59 -20.578 -6.695 -9.574 1.00 12.88 C ATOM 460 CZ TYR A 59 -19.557 -7.496 -9.022 1.00 13.61 C ATOM 461 OH TYR A 59 -19.793 -8.778 -8.564 1.00 15.28 O ATOM 462 N ASP A 60 -18.413 -1.545 -12.882 1.00 9.35 N ATOM 463 CA ASP A 60 -18.201 -0.159 -13.233 1.00 11.85 C ATOM 464 C ASP A 60 -19.392 0.618 -12.607 1.00 13.56 C ATOM 465 O ASP A 60 -20.378 0.052 -12.098 1.00 14.61 O ATOM 466 CB ASP A 60 -18.136 -0.037 -14.773 1.00 15.42 C ATOM 467 CG ASP A 60 -17.234 -1.025 -15.572 1.00 17.94 C ATOM 468 OD1 ASP A 60 -17.049 -2.192 -15.211 1.00 18.85 O ATOM 469 OD2 ASP A 60 -16.743 -0.665 -16.649 1.00 22.65 O ATOM 470 N GLN A 61 -19.317 1.949 -12.530 1.00 14.63 N ATOM 471 CA GLN A 61 -20.352 2.820 -11.975 1.00 13.17 C ATOM 472 C GLN A 61 -20.548 2.648 -10.489 1.00 12.22 C ATOM 473 O GLN A 61 -21.573 3.086 -9.949 1.00 12.01 O ATOM 474 CB GLN A 61 -21.753 2.607 -12.611 1.00 14.58 C ATOM 475 CG GLN A 61 -21.935 2.353 -14.075 1.00 16.89 C ATOM 476 CD GLN A 61 -21.186 3.323 -14.957 1.00 20.83 C ATOM 477 OE1 GLN A 61 -19.944 3.416 -14.887 1.00 22.13 O ATOM 478 NE2 GLN A 61 -21.913 4.048 -15.818 1.00 20.15 N ATOM 479 N ILE A 62 -19.567 2.089 -9.781 1.00 12.88 N ATOM 480 CA ILE A 62 -19.755 1.909 -8.351 1.00 11.75 C ATOM 481 C ILE A 62 -19.411 3.120 -7.467 1.00 10.80 C ATOM 482 O ILE A 62 -18.353 3.754 -7.610 1.00 11.22 O ATOM 483 CB ILE A 62 -18.947 0.682 -7.897 1.00 10.80 C ATOM 484 CG1 ILE A 62 -19.288 -0.535 -8.780 1.00 12.54 C ATOM 485 CG2 ILE A 62 -19.219 0.459 -6.376 1.00 12.97 C ATOM 486 CD1 ILE A 62 -20.778 -0.981 -8.955 1.00 10.29 C ATOM 487 N LEU A 63 -20.339 3.386 -6.545 1.00 7.00 N ATOM 488 CA LEU A 63 -20.234 4.458 -5.586 1.00 5.42 C ATOM 489 C LEU A 63 -19.529 3.985 -4.331 1.00 4.72 C ATOM 490 O LEU A 63 -19.900 2.926 -3.819 1.00 4.93 O ATOM 491 CB LEU A 63 -21.618 4.976 -5.190 1.00 5.20 C ATOM 492 CG LEU A 63 -21.817 5.999 -4.022 1.00 6.04 C ATOM 493 CD1 LEU A 63 -20.967 7.226 -4.275 1.00 2.00 C ATOM 494 CD2 LEU A 63 -23.322 6.360 -3.871 1.00 6.01 C ATOM 495 N ILE A 64 -18.527 4.764 -3.865 1.00 6.89 N ATOM 496 CA ILE A 64 -17.708 4.537 -2.661 1.00 5.17 C ATOM 497 C ILE A 64 -17.462 5.867 -1.925 1.00 5.70 C ATOM 498 O ILE A 64 -17.125 6.927 -2.456 1.00 2.04 O ATOM 499 CB ILE A 64 -16.221 3.936 -2.885 1.00 6.70 C ATOM 500 CG1 ILE A 64 -16.186 2.467 -3.210 1.00 7.31 C ATOM 501 CG2 ILE A 64 -15.413 3.979 -1.546 1.00 9.03 C ATOM 502 CD1 ILE A 64 -14.768 1.772 -3.168 1.00 3.12 C ATOM 503 N GLU A 65 -17.587 5.727 -0.625 1.00 6.68 N ATOM 504 CA GLU A 65 -17.381 6.765 0.357 1.00 8.52 C ATOM 505 C GLU A 65 -15.960 6.509 0.889 1.00 9.89 C ATOM 506 O GLU A 65 -15.820 5.426 1.501 1.00 12.68 O ATOM 507 CB GLU A 65 -18.298 6.577 1.501 1.00 10.93 C ATOM 508 CG GLU A 65 -18.372 7.717 2.475 1.00 12.53 C ATOM 509 CD GLU A 65 -19.535 8.571 2.023 1.00 14.77 C ATOM 510 OE1 GLU A 65 -20.630 7.996 1.887 1.00 14.14 O ATOM 511 OE2 GLU A 65 -19.336 9.778 1.791 1.00 15.13 O ATOM 512 N ILE A 66 -14.900 7.292 0.618 1.00 8.22 N ATOM 513 CA ILE A 66 -13.522 7.116 1.135 1.00 7.80 C ATOM 514 C ILE A 66 -13.458 8.372 2.043 1.00 9.46 C ATOM 515 O ILE A 66 -13.627 9.501 1.552 1.00 9.44 O ATOM 516 CB ILE A 66 -12.459 7.205 0.000 1.00 6.22 C ATOM 517 CG1 ILE A 66 -12.682 6.190 -1.113 1.00 3.13 C ATOM 518 CG2 ILE A 66 -11.092 7.032 0.653 1.00 7.62 C ATOM 519 CD1 ILE A 66 -11.719 6.446 -2.303 1.00 3.11 C ATOM 520 N CYS A 67 -13.203 8.312 3.362 1.00 11.45 N ATOM 521 CA CYS A 67 -13.195 9.509 4.239 1.00 12.47 C ATOM 522 C CYS A 67 -14.389 10.488 4.028 1.00 12.46 C ATOM 523 O CYS A 67 -14.230 11.695 3.804 1.00 12.40 O ATOM 524 CB CYS A 67 -11.931 10.300 4.070 1.00 12.54 C ATOM 525 SG CYS A 67 -10.738 9.542 5.160 1.00 18.44 S ATOM 526 N GLY A 68 -15.627 9.991 4.049 1.00 11.94 N ATOM 527 CA GLY A 68 -16.782 10.844 3.790 1.00 13.13 C ATOM 528 C GLY A 68 -16.722 11.448 2.363 1.00 14.89 C ATOM 529 O GLY A 68 -17.519 12.333 2.000 1.00 16.54 O ATOM 530 N HIS A 69 -15.824 11.004 1.477 1.00 12.83 N ATOM 531 CA HIS A 69 -15.726 11.688 0.223 1.00 12.05 C ATOM 532 C HIS A 69 -16.078 10.576 -0.677 1.00 11.63 C ATOM 533 O HIS A 69 -15.401 9.532 -0.714 1.00 10.29 O ATOM 534 CB HIS A 69 -14.357 12.108 -0.175 1.00 14.07 C ATOM 535 CG HIS A 69 -13.615 12.855 0.891 1.00 16.41 C ATOM 536 ND1 HIS A 69 -12.729 12.311 1.710 1.00 17.27 N ATOM 537 CD2 HIS A 69 -13.712 14.201 1.160 1.00 18.47 C ATOM 538 CE1 HIS A 69 -12.271 13.269 2.478 1.00 17.81 C ATOM 539 NE2 HIS A 69 -12.861 14.400 2.144 1.00 19.74 N ATOM 540 N LYS A 70 -17.217 10.804 -1.289 1.00 9.86 N ATOM 541 CA LYS A 70 -17.683 9.823 -2.211 1.00 9.86 C ATOM 542 C LYS A 70 -17.157 10.233 -3.619 1.00 9.67 C ATOM 543 O LYS A 70 -16.833 11.387 -3.965 1.00 7.56 O ATOM 544 CB LYS A 70 -19.205 9.759 -2.068 1.00 10.36 C ATOM 545 CG LYS A 70 -19.936 11.058 -2.269 1.00 10.94 C ATOM 546 CD LYS A 70 -21.320 10.802 -1.734 1.00 14.29 C ATOM 547 CE LYS A 70 -22.216 12.053 -1.557 1.00 12.84 C ATOM 548 NZ LYS A 70 -23.450 11.594 -0.936 1.00 11.48 N ATOM 549 N ALA A 71 -16.861 9.137 -4.280 1.00 7.53 N ATOM 550 CA ALA A 71 -16.350 9.061 -5.603 1.00 7.45 C ATOM 551 C ALA A 71 -17.052 7.831 -6.224 1.00 9.75 C ATOM 552 O ALA A 71 -17.754 7.037 -5.561 1.00 9.87 O ATOM 553 CB ALA A 71 -14.845 8.913 -5.500 1.00 8.87 C ATOM 554 N ILE A 72 -16.941 7.736 -7.562 1.00 10.67 N ATOM 555 CA ILE A 72 -17.534 6.689 -8.388 1.00 10.29 C ATOM 556 C ILE A 72 -16.513 6.123 -9.352 1.00 9.18 C ATOM 557 O ILE A 72 -15.721 6.879 -9.904 1.00 8.20 O ATOM 558 CB ILE A 72 -18.671 7.183 -9.289 1.00 11.31 C ATOM 559 CG1 ILE A 72 -19.696 7.882 -8.488 1.00 14.33 C ATOM 560 CG2 ILE A 72 -19.370 5.987 -9.990 1.00 12.54 C ATOM 561 CD1 ILE A 72 -20.716 8.463 -9.503 1.00 16.13 C ATOM 562 N GLY A 73 -16.575 4.822 -9.538 1.00 7.21 N ATOM 563 CA GLY A 73 -15.778 4.176 -10.510 1.00 4.63 C ATOM 564 C GLY A 73 -15.878 2.690 -10.372 1.00 5.25 C ATOM 565 O GLY A 73 -16.674 2.072 -9.672 1.00 5.49 O ATOM 566 N THR A 74 -14.980 2.238 -11.210 1.00 6.23 N ATOM 567 CA THR A 74 -14.595 0.873 -11.401 1.00 5.26 C ATOM 568 C THR A 74 -13.885 0.383 -10.146 1.00 5.73 C ATOM 569 O THR A 74 -12.941 0.999 -9.647 1.00 3.71 O ATOM 570 CB THR A 74 -13.698 0.849 -12.690 1.00 7.11 C ATOM 571 OG1 THR A 74 -14.460 1.573 -13.664 1.00 8.03 O ATOM 572 CG2 THR A 74 -13.342 -0.530 -13.204 1.00 5.27 C ATOM 573 N VAL A 75 -14.419 -0.748 -9.716 1.00 5.15 N ATOM 574 CA VAL A 75 -14.033 -1.513 -8.581 1.00 4.68 C ATOM 575 C VAL A 75 -13.838 -2.918 -9.135 1.00 5.15 C ATOM 576 O VAL A 75 -14.632 -3.356 -9.956 1.00 2.19 O ATOM 577 CB VAL A 75 -15.189 -1.393 -7.554 1.00 6.34 C ATOM 578 CG1 VAL A 75 -15.212 -2.490 -6.502 1.00 4.51 C ATOM 579 CG2 VAL A 75 -14.989 -0.034 -6.852 1.00 8.14 C ATOM 580 N LEU A 76 -12.726 -3.570 -8.776 1.00 5.81 N ATOM 581 CA LEU A 76 -12.393 -4.914 -9.196 1.00 6.79 C ATOM 582 C LEU A 76 -12.475 -5.754 -7.931 1.00 7.86 C ATOM 583 O LEU A 76 -11.886 -5.411 -6.895 1.00 9.27 O ATOM 584 CB LEU A 76 -10.962 -5.033 -9.764 1.00 4.81 C ATOM 585 CG LEU A 76 -10.519 -4.196 -10.975 1.00 6.17 C ATOM 586 CD1 LEU A 76 -9.241 -4.800 -11.594 1.00 7.32 C ATOM 587 CD2 LEU A 76 -11.596 -4.212 -12.049 1.00 2.03 C ATOM 588 N VAL A 77 -13.249 -6.815 -7.970 1.00 7.59 N ATOM 589 CA VAL A 77 -13.397 -7.689 -6.822 1.00 8.53 C ATOM 590 C VAL A 77 -12.734 -9.050 -7.087 1.00 9.17 C ATOM 591 O VAL A 77 -12.925 -9.700 -8.135 1.00 9.43 O ATOM 592 CB VAL A 77 -14.903 -7.877 -6.471 1.00 7.34 C ATOM 593 CG1 VAL A 77 -15.200 -9.117 -5.627 1.00 7.24 C ATOM 594 CG2 VAL A 77 -15.302 -6.683 -5.623 1.00 7.51 C ATOM 595 N GLY A 78 -11.915 -9.438 -6.111 1.00 7.95 N ATOM 596 CA GLY A 78 -11.373 -10.751 -6.157 1.00 8.79 C ATOM 597 C GLY A 78 -10.440 -11.018 -5.004 1.00 10.49 C ATOM 598 O GLY A 78 -10.544 -10.423 -3.922 1.00 11.77 O ATOM 599 N PRO A 79 -9.499 -11.946 -5.258 1.00 10.59 N ATOM 600 CA PRO A 79 -8.718 -12.617 -4.235 1.00 10.88 C ATOM 601 C PRO A 79 -7.478 -11.850 -3.742 1.00 11.63 C ATOM 602 O PRO A 79 -6.373 -12.407 -3.666 1.00 10.56 O ATOM 603 CB PRO A 79 -8.478 -13.914 -4.928 1.00 10.75 C ATOM 604 CG PRO A 79 -8.113 -13.473 -6.304 1.00 9.55 C ATOM 605 CD PRO A 79 -9.237 -12.524 -6.573 1.00 8.81 C ATOM 606 N THR A 80 -7.685 -10.554 -3.437 1.00 10.34 N ATOM 607 CA THR A 80 -6.612 -9.718 -2.966 1.00 10.48 C ATOM 608 C THR A 80 -6.434 -10.013 -1.486 1.00 10.25 C ATOM 609 O THR A 80 -7.433 -10.250 -0.811 1.00 11.22 O ATOM 610 CB THR A 80 -6.949 -8.183 -3.236 1.00 11.72 C ATOM 611 OG1 THR A 80 -5.791 -7.411 -2.866 1.00 7.38 O ATOM 612 CG2 THR A 80 -8.243 -7.755 -2.559 1.00 5.75 C ATOM 613 N PRO A 81 -5.207 -10.025 -0.939 1.00 10.81 N ATOM 614 CA PRO A 81 -4.939 -9.972 0.502 1.00 10.11 C ATOM 615 C PRO A 81 -5.597 -8.781 1.234 1.00 10.61 C ATOM 616 O PRO A 81 -6.263 -9.007 2.230 1.00 9.52 O ATOM 617 CB PRO A 81 -3.435 -9.951 0.583 1.00 8.77 C ATOM 618 CG PRO A 81 -3.032 -10.708 -0.628 1.00 9.57 C ATOM 619 CD PRO A 81 -3.958 -10.159 -1.686 1.00 11.72 C ATOM 620 N VAL A 82 -5.436 -7.502 0.813 1.00 9.59 N ATOM 621 CA VAL A 82 -6.064 -6.384 1.511 1.00 6.78 C ATOM 622 C VAL A 82 -6.898 -5.555 0.518 1.00 6.04 C ATOM 623 O VAL A 82 -6.724 -5.721 -0.681 1.00 6.40 O ATOM 624 CB VAL A 82 -4.971 -5.466 2.270 1.00 6.83 C ATOM 625 CG1 VAL A 82 -3.716 -6.268 2.628 1.00 9.52 C ATOM 626 CG2 VAL A 82 -4.503 -4.299 1.426 1.00 10.02 C ATOM 627 N ASN A 83 -7.818 -4.693 0.982 1.00 5.42 N ATOM 628 CA ASN A 83 -8.667 -3.828 0.151 1.00 6.54 C ATOM 629 C ASN A 83 -7.690 -2.744 -0.237 1.00 6.90 C ATOM 630 O ASN A 83 -7.013 -2.169 0.626 1.00 8.98 O ATOM 631 CB ASN A 83 -9.798 -3.163 0.919 1.00 4.75 C ATOM 632 CG ASN A 83 -10.728 -4.212 1.432 1.00 7.30 C ATOM 633 OD1 ASN A 83 -11.022 -5.175 0.731 1.00 5.52 O ATOM 634 ND2 ASN A 83 -11.203 -4.089 2.652 1.00 5.85 N ATOM 635 N ILE A 84 -7.631 -2.492 -1.525 1.00 7.57 N ATOM 636 CA ILE A 84 -6.747 -1.529 -2.122 1.00 7.31 C ATOM 637 C ILE A 84 -7.503 -0.416 -2.820 1.00 6.88 C ATOM 638 O ILE A 84 -8.484 -0.720 -3.493 1.00 5.98 O ATOM 639 CB ILE A 84 -5.827 -2.379 -3.092 1.00 7.06 C ATOM 640 CG1 ILE A 84 -4.787 -3.150 -2.249 1.00 9.07 C ATOM 641 CG2 ILE A 84 -5.162 -1.515 -4.156 1.00 6.41 C ATOM 642 CD1 ILE A 84 -3.934 -2.231 -1.354 1.00 13.61 C ATOM 643 N ILE A 85 -7.050 0.831 -2.695 1.00 6.40 N ATOM 644 CA ILE A 85 -7.692 1.962 -3.346 1.00 6.64 C ATOM 645 C ILE A 85 -6.631 2.477 -4.328 1.00 6.32 C ATOM 646 O ILE A 85 -5.603 3.023 -3.919 1.00 6.70 O ATOM 647 CB ILE A 85 -8.072 3.128 -2.378 1.00 5.97 C ATOM 648 CG1 ILE A 85 -8.918 2.627 -1.205 1.00 4.45 C ATOM 649 CG2 ILE A 85 -8.913 4.170 -3.170 1.00 6.07 C ATOM 650 CD1 ILE A 85 -10.315 2.064 -1.595 1.00 3.84 C ATOM 651 N GLY A 86 -6.901 2.271 -5.609 1.00 5.48 N ATOM 652 CA GLY A 86 -6.008 2.658 -6.658 1.00 4.60 C ATOM 653 C GLY A 86 -6.219 4.098 -7.084 1.00 4.96 C ATOM 654 O GLY A 86 -7.121 4.831 -6.655 1.00 4.24 O ATOM 655 N ARG A 87 -5.339 4.458 -8.014 1.00 6.01 N ATOM 656 CA ARG A 87 -5.240 5.778 -8.584 1.00 6.21 C ATOM 657 C ARG A 87 -6.505 6.146 -9.329 1.00 5.41 C ATOM 658 O ARG A 87 -6.773 7.334 -9.421 1.00 6.37 O ATOM 659 CB ARG A 87 -4.052 5.888 -9.521 1.00 6.31 C ATOM 660 CG ARG A 87 -2.733 6.214 -8.857 1.00 7.03 C ATOM 661 CD ARG A 87 -1.675 6.647 -9.901 1.00 10.76 C ATOM 662 NE ARG A 87 -1.479 5.695 -10.988 1.00 9.13 N ATOM 663 CZ ARG A 87 -1.893 5.834 -12.262 1.00 7.18 C ATOM 664 NH1 ARG A 87 -2.513 6.915 -12.727 1.00 4.61 N ATOM 665 NH2 ARG A 87 -1.618 4.848 -13.102 1.00 2.94 N ATOM 666 N ASN A 88 -7.333 5.218 -9.801 1.00 6.29 N ATOM 667 CA ASN A 88 -8.573 5.566 -10.488 1.00 5.01 C ATOM 668 C ASN A 88 -9.543 6.231 -9.490 1.00 6.08 C ATOM 669 O ASN A 88 -10.411 6.976 -9.905 1.00 4.78 O ATOM 670 CB ASN A 88 -9.269 4.365 -11.040 1.00 2.90 C ATOM 671 CG ASN A 88 -9.763 3.391 -9.987 1.00 4.40 C ATOM 672 OD1 ASN A 88 -9.003 3.050 -9.076 1.00 8.58 O ATOM 673 ND2 ASN A 88 -10.978 2.887 -10.042 1.00 2.00 N ATOM 674 N LEU A 89 -9.474 5.945 -8.175 1.00 6.41 N ATOM 675 CA LEU A 89 -10.371 6.584 -7.238 1.00 5.64 C ATOM 676 C LEU A 89 -9.653 7.678 -6.427 1.00 6.34 C ATOM 677 O LEU A 89 -10.248 8.698 -6.044 1.00 7.56 O ATOM 678 CB LEU A 89 -10.992 5.475 -6.355 1.00 2.96 C ATOM 679 CG LEU A 89 -12.007 4.516 -7.077 1.00 7.03 C ATOM 680 CD1 LEU A 89 -12.409 3.409 -6.118 1.00 6.63 C ATOM 681 CD2 LEU A 89 -13.278 5.255 -7.551 1.00 4.93 C ATOM 682 N LEU A 90 -8.328 7.557 -6.285 1.00 5.02 N ATOM 683 CA LEU A 90 -7.522 8.499 -5.540 1.00 5.29 C ATOM 684 C LEU A 90 -7.514 9.887 -6.176 1.00 7.95 C ATOM 685 O LEU A 90 -7.660 10.929 -5.496 1.00 8.69 O ATOM 686 CB LEU A 90 -6.101 7.928 -5.401 1.00 2.40 C ATOM 687 CG LEU A 90 -5.940 6.734 -4.442 1.00 2.77 C ATOM 688 CD1 LEU A 90 -4.611 6.078 -4.673 1.00 3.35 C ATOM 689 CD2 LEU A 90 -6.028 7.177 -3.001 1.00 2.98 C ATOM 690 N THR A 91 -7.411 9.896 -7.506 1.00 8.68 N ATOM 691 CA THR A 91 -7.423 11.179 -8.193 1.00 11.53 C ATOM 692 C THR A 91 -8.766 11.863 -7.912 1.00 11.69 C ATOM 693 O THR A 91 -8.743 13.055 -7.575 1.00 14.16 O ATOM 694 CB THR A 91 -7.263 11.060 -9.729 1.00 9.75 C ATOM 695 OG1 THR A 91 -7.989 9.928 -10.189 1.00 12.04 O ATOM 696 CG2 THR A 91 -5.835 10.950 -10.095 1.00 8.58 C ATOM 697 N GLN A 92 -9.865 11.071 -7.862 1.00 10.96 N ATOM 698 CA GLN A 92 -11.185 11.627 -7.618 1.00 10.62 C ATOM 699 C GLN A 92 -11.397 12.297 -6.297 1.00 10.84 C ATOM 700 O GLN A 92 -12.196 13.236 -6.238 1.00 8.99 O ATOM 701 CB GLN A 92 -12.263 10.593 -7.765 1.00 9.82 C ATOM 702 CG GLN A 92 -12.569 10.390 -9.233 1.00 11.94 C ATOM 703 CD GLN A 92 -13.673 9.378 -9.540 1.00 15.94 C ATOM 704 OE1 GLN A 92 -13.563 8.524 -10.430 1.00 16.80 O ATOM 705 NE2 GLN A 92 -14.819 9.461 -8.868 1.00 15.32 N ATOM 706 N ILE A 93 -10.654 11.875 -5.265 1.00 10.80 N ATOM 707 CA ILE A 93 -10.820 12.505 -3.965 1.00 9.49 C ATOM 708 C ILE A 93 -9.766 13.590 -3.679 1.00 9.78 C ATOM 709 O ILE A 93 -9.668 14.189 -2.588 1.00 9.90 O ATOM 710 CB ILE A 93 -10.826 11.425 -2.858 1.00 7.62 C ATOM 711 CG1 ILE A 93 -9.542 10.613 -2.709 1.00 8.16 C ATOM 712 CG2 ILE A 93 -12.002 10.544 -3.228 1.00 10.21 C ATOM 713 CD1 ILE A 93 -9.357 10.014 -1.314 1.00 7.94 C ATOM 714 N GLY A 94 -9.002 13.891 -4.725 1.00 9.37 N ATOM 715 CA GLY A 94 -8.000 14.921 -4.645 1.00 7.34 C ATOM 716 C GLY A 94 -6.775 14.365 -3.940 1.00 10.40 C ATOM 717 O GLY A 94 -6.202 15.056 -3.100 1.00 12.74 O ATOM 718 N CYS A 95 -6.327 13.140 -4.186 1.00 9.24 N ATOM 719 CA CYS A 95 -5.157 12.693 -3.491 1.00 9.25 C ATOM 720 C CYS A 95 -3.830 13.071 -4.195 1.00 9.34 C ATOM 721 O CYS A 95 -3.702 13.021 -5.428 1.00 11.44 O ATOM 722 CB CYS A 95 -5.313 11.213 -3.315 1.00 7.76 C ATOM 723 SG CYS A 95 -4.187 10.634 -2.036 1.00 9.34 S ATOM 724 N THR A 96 -2.832 13.508 -3.424 1.00 8.58 N ATOM 725 CA THR A 96 -1.506 13.903 -3.890 1.00 7.95 C ATOM 726 C THR A 96 -0.459 13.409 -2.885 1.00 8.53 C ATOM 727 O THR A 96 -0.692 13.336 -1.655 1.00 7.21 O ATOM 728 CB THR A 96 -1.306 15.430 -3.970 1.00 9.19 C ATOM 729 OG1 THR A 96 -1.806 16.003 -2.757 1.00 8.52 O ATOM 730 CG2 THR A 96 -1.961 16.011 -5.193 1.00 12.91 C ATOM 731 N LEU A 97 0.690 13.049 -3.433 1.00 6.20 N ATOM 732 CA LEU A 97 1.770 12.595 -2.596 1.00 8.35 C ATOM 733 C LEU A 97 2.592 13.904 -2.493 1.00 9.66 C ATOM 734 O LEU A 97 2.589 14.817 -3.371 1.00 9.18 O ATOM 735 CB LEU A 97 2.386 11.432 -3.341 1.00 9.63 C ATOM 736 CG LEU A 97 3.250 10.294 -2.740 1.00 10.13 C ATOM 737 CD1 LEU A 97 2.579 9.392 -1.714 1.00 11.08 C ATOM 738 CD2 LEU A 97 3.610 9.439 -3.956 1.00 10.61 C ATOM 739 N ASN A 98 3.231 14.069 -1.340 1.00 7.73 N ATOM 740 CA ASN A 98 4.012 15.247 -1.075 1.00 8.32 C ATOM 741 C ASN A 98 5.285 15.017 -0.353 1.00 8.41 C ATOM 742 O ASN A 98 5.279 14.087 0.437 1.00 8.11 O ATOM 743 CB ASN A 98 3.210 16.182 -0.266 1.00 11.91 C ATOM 744 CG ASN A 98 2.193 16.835 -1.155 1.00 12.59 C ATOM 745 OD1 ASN A 98 2.613 17.677 -1.937 1.00 15.12 O ATOM 746 ND2 ASN A 98 0.907 16.457 -1.154 1.00 14.25 N ATOM 747 N PHE A 99 6.392 15.729 -0.602 1.00 8.04 N ATOM 748 CA PHE A 99 7.636 15.501 0.129 1.00 8.06 C ATOM 749 C PHE A 99 8.739 16.529 0.051 1.00 9.93 C ATOM 750 O PHE A 99 9.509 16.553 1.019 1.00 16.22 O ATOM 751 CB PHE A 99 8.348 14.172 -0.234 1.00 9.80 C ATOM 752 CG PHE A 99 8.633 13.871 -1.686 1.00 10.27 C ATOM 753 CD1 PHE A 99 7.627 13.289 -2.485 1.00 13.74 C ATOM 754 CD2 PHE A 99 9.903 14.158 -2.211 1.00 11.34 C ATOM 755 CE1 PHE A 99 7.890 12.989 -3.827 1.00 11.72 C ATOM 756 CE2 PHE A 99 10.157 13.848 -3.553 1.00 13.92 C ATOM 757 CZ PHE A 99 9.151 13.267 -4.353 1.00 13.77 C ATOM 758 OXT PHE A 99 8.883 17.242 -0.948 1.00 8.66 O TER 759 PHE A 99 END