EXPDTA T0348TS026_1-scwrl MODEL 1 REMARK 44 REMARK 44 model 1 is called T0348TS026_1-scwrl ATOM 1 N MET A 1 -12.350 17.054 17.727 1.00 0.00 ATOM 2 CA MET A 1 -12.283 18.217 18.624 1.00 0.00 ATOM 3 CB MET A 1 -12.534 17.792 20.072 1.00 0.00 ATOM 4 CG MET A 1 -12.612 18.949 21.054 1.00 0.00 ATOM 5 SD MET A 1 -12.917 18.407 22.746 1.00 0.00 ATOM 6 CE MET A 1 -14.627 17.888 22.632 1.00 0.00 ATOM 7 O MET A 1 -10.555 19.317 17.424 1.00 0.00 ATOM 8 C MET A 1 -10.893 18.836 18.509 1.00 0.00 ATOM 9 N ASP A 2 -10.048 18.570 19.497 1.00 0.00 ATOM 10 CA ASP A 2 -8.737 19.231 19.678 1.00 0.00 ATOM 11 CB ASP A 2 -7.937 18.540 20.784 1.00 0.00 ATOM 12 CG ASP A 2 -7.578 17.109 20.437 1.00 0.00 ATOM 13 OD1 ASP A 2 -7.846 16.691 19.291 1.00 0.00 ATOM 14 OD2 ASP A 2 -7.029 16.405 21.311 1.00 0.00 ATOM 15 O ASP A 2 -8.146 18.529 17.454 1.00 0.00 ATOM 16 C ASP A 2 -7.849 19.222 18.433 1.00 0.00 ATOM 17 N ALA A 3 -6.656 19.784 18.573 1.00 0.00 ATOM 18 CA ALA A 3 -5.736 19.997 17.432 1.00 0.00 ATOM 19 CB ALA A 3 -4.477 20.715 17.893 1.00 0.00 ATOM 20 O ALA A 3 -4.827 18.864 15.518 1.00 0.00 ATOM 21 C ALA A 3 -5.225 18.749 16.686 1.00 0.00 ATOM 22 N LYS A 4 -5.464 17.564 17.231 1.00 0.00 ATOM 23 CA LYS A 4 -5.161 16.318 16.523 1.00 0.00 ATOM 24 CB LYS A 4 -5.163 15.136 17.494 1.00 0.00 ATOM 25 CG LYS A 4 -4.053 15.182 18.531 1.00 0.00 ATOM 26 CD LYS A 4 -4.119 13.985 19.465 1.00 0.00 ATOM 27 CE LYS A 4 -3.004 14.028 20.498 1.00 0.00 ATOM 28 NZ LYS A 4 -3.079 12.880 21.444 1.00 0.00 ATOM 29 O LYS A 4 -5.825 15.312 14.467 1.00 0.00 ATOM 30 C LYS A 4 -6.179 16.009 15.423 1.00 0.00 ATOM 31 N PHE A 5 -7.295 16.722 15.405 1.00 0.00 ATOM 32 CA PHE A 5 -8.264 16.584 14.319 1.00 0.00 ATOM 33 CB PHE A 5 -9.587 17.257 14.692 1.00 0.00 ATOM 34 CG PHE A 5 -10.686 17.026 13.696 1.00 0.00 ATOM 35 CD1 PHE A 5 -11.308 15.793 13.603 1.00 0.00 ATOM 36 CD2 PHE A 5 -11.100 18.041 12.852 1.00 0.00 ATOM 37 CE1 PHE A 5 -12.320 15.580 12.686 1.00 0.00 ATOM 38 CE2 PHE A 5 -12.112 17.829 11.935 1.00 0.00 ATOM 39 CZ PHE A 5 -12.721 16.605 11.850 1.00 0.00 ATOM 40 O PHE A 5 -7.844 16.662 11.951 1.00 0.00 ATOM 41 C PHE A 5 -7.733 17.236 13.044 1.00 0.00 ATOM 42 N LEU A 6 -6.936 18.277 13.226 1.00 0.00 ATOM 43 CA LEU A 6 -6.318 18.959 12.088 1.00 0.00 ATOM 44 CB LEU A 6 -5.971 20.404 12.453 1.00 0.00 ATOM 45 CG LEU A 6 -7.151 21.325 12.770 1.00 0.00 ATOM 46 CD1 LEU A 6 -6.660 22.696 13.210 1.00 0.00 ATOM 47 CD2 LEU A 6 -8.035 21.507 11.547 1.00 0.00 ATOM 48 O LEU A 6 -4.626 18.323 10.511 1.00 0.00 ATOM 49 C LEU A 6 -5.038 18.246 11.672 1.00 0.00 ATOM 50 N GLU A 7 -4.536 17.410 12.565 1.00 0.00 ATOM 51 CA GLU A 7 -3.346 16.613 12.281 1.00 0.00 ATOM 52 CB GLU A 7 -2.587 16.304 13.573 1.00 0.00 ATOM 53 CG GLU A 7 -1.995 17.527 14.253 1.00 0.00 ATOM 54 CD GLU A 7 -1.270 17.185 15.540 1.00 0.00 ATOM 55 OE1 GLU A 7 -1.306 16.004 15.946 1.00 0.00 ATOM 56 OE2 GLU A 7 -0.667 18.097 16.143 1.00 0.00 ATOM 57 O GLU A 7 -2.804 14.621 11.073 1.00 0.00 ATOM 58 C GLU A 7 -3.696 15.281 11.618 1.00 0.00 ATOM 59 N ILE A 8 -4.965 14.898 11.640 1.00 0.00 ATOM 60 CA ILE A 8 -5.379 13.706 10.895 1.00 0.00 ATOM 61 CB ILE A 8 -6.368 12.849 11.706 1.00 0.00 ATOM 62 CG1 ILE A 8 -7.659 13.627 11.968 1.00 0.00 ATOM 63 CG2 ILE A 8 -5.761 12.458 13.045 1.00 0.00 ATOM 64 CD1 ILE A 8 -8.767 12.789 12.568 1.00 0.00 ATOM 65 O ILE A 8 -6.210 13.204 8.708 1.00 0.00 ATOM 66 C ILE A 8 -6.069 14.071 9.579 1.00 0.00 ATOM 67 N LEU A 9 -6.429 15.340 9.429 1.00 0.00 ATOM 68 CA LEU A 9 -7.036 15.872 8.195 1.00 0.00 ATOM 69 CB LEU A 9 -6.012 15.888 7.058 1.00 0.00 ATOM 70 CG LEU A 9 -4.742 16.704 7.301 1.00 0.00 ATOM 71 CD1 LEU A 9 -3.789 16.580 6.122 1.00 0.00 ATOM 72 CD2 LEU A 9 -5.076 18.176 7.489 1.00 0.00 ATOM 73 O LEU A 9 -8.239 14.681 6.510 1.00 0.00 ATOM 74 C LEU A 9 -8.235 15.071 7.685 1.00 0.00 ATOM 75 N VAL A 10 -9.246 14.887 8.524 1.00 0.00 ATOM 76 CA VAL A 10 -10.439 14.107 8.139 1.00 0.00 ATOM 77 CB VAL A 10 -10.397 12.684 8.727 1.00 0.00 ATOM 78 CG1 VAL A 10 -11.640 11.905 8.325 1.00 0.00 ATOM 79 CG2 VAL A 10 -9.174 11.934 8.220 1.00 0.00 ATOM 80 O VAL A 10 -11.844 15.068 9.835 1.00 0.00 ATOM 81 C VAL A 10 -11.722 14.777 8.641 1.00 0.00 ATOM 82 N CYS A 11 -12.661 15.016 7.739 1.00 0.00 ATOM 83 CA CYS A 11 -13.959 15.607 8.108 1.00 0.00 ATOM 84 CB CYS A 11 -14.671 16.153 6.869 1.00 0.00 ATOM 85 SG CYS A 11 -13.827 17.538 6.072 1.00 0.00 ATOM 86 O CYS A 11 -15.093 13.483 8.265 1.00 0.00 ATOM 87 C CYS A 11 -14.903 14.599 8.766 1.00 0.00 ATOM 88 N PRO A 12 -15.677 15.108 9.719 1.00 0.00 ATOM 89 CA PRO A 12 -16.758 14.346 10.385 1.00 0.00 ATOM 90 CB PRO A 12 -17.149 15.223 11.577 1.00 0.00 ATOM 91 CG PRO A 12 -16.821 16.612 11.142 1.00 0.00 ATOM 92 CD PRO A 12 -15.593 16.501 10.282 1.00 0.00 ATOM 93 O PRO A 12 -18.890 13.323 9.865 1.00 0.00 ATOM 94 C PRO A 12 -17.988 14.084 9.497 1.00 0.00 ATOM 95 N LEU A 13 -17.955 14.654 8.301 1.00 0.00 ATOM 96 CA LEU A 13 -18.953 14.457 7.248 1.00 0.00 ATOM 97 CB LEU A 13 -19.005 15.676 6.325 1.00 0.00 ATOM 98 CG LEU A 13 -19.421 16.999 6.971 1.00 0.00 ATOM 99 CD1 LEU A 13 -19.333 18.139 5.968 1.00 0.00 ATOM 100 CD2 LEU A 13 -20.852 16.922 7.480 1.00 0.00 ATOM 101 O LEU A 13 -19.235 13.068 5.316 1.00 0.00 ATOM 102 C LEU A 13 -18.635 13.230 6.385 1.00 0.00 ATOM 103 N CYS A 14 -17.595 12.499 6.775 1.00 0.00 ATOM 104 CA CYS A 14 -17.102 11.302 6.078 1.00 0.00 ATOM 105 CB CYS A 14 -18.268 10.394 5.682 1.00 0.00 ATOM 106 SG CYS A 14 -19.264 9.808 7.073 1.00 0.00 ATOM 107 O CYS A 14 -16.464 11.114 3.752 1.00 0.00 ATOM 108 C CYS A 14 -16.353 11.723 4.822 1.00 0.00 ATOM 109 N LYS A 15 -15.594 12.792 4.984 1.00 0.00 ATOM 110 CA LYS A 15 -14.765 13.312 3.898 1.00 0.00 ATOM 111 CB LYS A 15 -15.079 14.788 3.643 1.00 0.00 ATOM 112 CG LYS A 15 -16.534 15.061 3.296 1.00 0.00 ATOM 113 CD LYS A 15 -16.917 14.415 1.975 1.00 0.00 ATOM 114 CE LYS A 15 -18.335 14.785 1.570 1.00 0.00 ATOM 115 NZ LYS A 15 -18.776 14.045 0.355 1.00 0.00 ATOM 116 O LYS A 15 -12.991 13.249 5.498 1.00 0.00 ATOM 117 C LYS A 15 -13.315 13.159 4.310 1.00 0.00 ATOM 118 N GLY A 16 -12.448 12.950 3.341 1.00 0.00 ATOM 119 CA GLY A 16 -11.019 12.856 3.646 1.00 0.00 ATOM 120 O GLY A 16 -10.785 14.846 4.996 1.00 0.00 ATOM 121 C GLY A 16 -10.433 14.227 3.981 1.00 0.00 ATOM 122 N PRO A 17 -9.612 14.705 3.060 1.00 0.00 ATOM 123 CA PRO A 17 -8.731 15.856 3.294 1.00 0.00 ATOM 124 CB PRO A 17 -7.946 15.993 1.988 1.00 0.00 ATOM 125 CG PRO A 17 -7.994 14.631 1.379 1.00 0.00 ATOM 126 CD PRO A 17 -9.348 14.072 1.714 1.00 0.00 ATOM 127 O PRO A 17 -10.596 17.423 3.178 1.00 0.00 ATOM 128 C PRO A 17 -9.461 17.165 3.602 1.00 0.00 ATOM 129 N LEU A 18 -8.775 17.963 4.402 1.00 0.00 ATOM 130 CA LEU A 18 -9.276 19.275 4.823 1.00 0.00 ATOM 131 CB LEU A 18 -8.898 19.551 6.280 1.00 0.00 ATOM 132 CG LEU A 18 -9.496 18.607 7.325 1.00 0.00 ATOM 133 CD1 LEU A 18 -8.968 18.938 8.713 1.00 0.00 ATOM 134 CD2 LEU A 18 -11.012 18.726 7.353 1.00 0.00 ATOM 135 O LEU A 18 -9.310 20.832 2.991 1.00 0.00 ATOM 136 C LEU A 18 -8.688 20.385 3.961 1.00 0.00 ATOM 137 N VAL A 19 -7.391 20.555 4.179 1.00 0.00 ATOM 138 CA VAL A 19 -6.529 21.641 3.665 1.00 0.00 ATOM 139 CB VAL A 19 -5.608 21.144 2.536 1.00 0.00 ATOM 140 CG1 VAL A 19 -4.708 22.269 2.048 1.00 0.00 ATOM 141 CG2 VAL A 19 -4.729 20.004 3.028 1.00 0.00 ATOM 142 O VAL A 19 -7.334 23.013 1.852 1.00 0.00 ATOM 143 C VAL A 19 -7.249 22.855 3.075 1.00 0.00 ATOM 144 N PHE A 20 -7.704 23.731 3.957 1.00 0.00 ATOM 145 CA PHE A 20 -8.260 25.016 3.527 1.00 0.00 ATOM 146 CB PHE A 20 -9.629 24.816 2.874 1.00 0.00 ATOM 147 CG PHE A 20 -10.139 26.029 2.150 1.00 0.00 ATOM 148 CD1 PHE A 20 -9.671 26.346 0.887 1.00 0.00 ATOM 149 CD2 PHE A 20 -11.085 26.854 2.733 1.00 0.00 ATOM 150 CE1 PHE A 20 -10.140 27.462 0.220 1.00 0.00 ATOM 151 CE2 PHE A 20 -11.554 27.970 2.066 1.00 0.00 ATOM 152 CZ PHE A 20 -11.086 28.276 0.815 1.00 0.00 ATOM 153 O PHE A 20 -9.456 25.934 5.401 1.00 0.00 ATOM 154 C PHE A 20 -8.433 25.966 4.713 1.00 0.00 ATOM 155 N ASP A 21 -7.434 26.786 4.986 1.00 0.00 ATOM 156 CA ASP A 21 -7.573 27.747 6.091 1.00 0.00 ATOM 157 CB ASP A 21 -6.222 27.982 6.770 1.00 0.00 ATOM 158 CG ASP A 21 -6.319 28.934 7.946 1.00 0.00 ATOM 159 OD1 ASP A 21 -7.410 29.501 8.163 1.00 0.00 ATOM 160 OD2 ASP A 21 -5.303 29.113 8.650 1.00 0.00 ATOM 161 O ASP A 21 -7.404 29.764 4.787 1.00 0.00 ATOM 162 C ASP A 21 -8.092 29.070 5.543 1.00 0.00 ATOM 163 N LYS A 22 -9.317 29.393 5.916 1.00 0.00 ATOM 164 CA LYS A 22 -9.922 30.635 5.439 1.00 0.00 ATOM 165 CB LYS A 22 -11.190 30.339 4.635 1.00 0.00 ATOM 166 CG LYS A 22 -12.269 29.614 5.423 1.00 0.00 ATOM 167 CD LYS A 22 -13.467 29.288 4.546 1.00 0.00 ATOM 168 CE LYS A 22 -14.170 30.552 4.079 1.00 0.00 ATOM 169 NZ LYS A 22 -15.365 30.247 3.244 1.00 0.00 ATOM 170 O LYS A 22 -10.610 32.733 6.394 1.00 0.00 ATOM 171 C LYS A 22 -10.304 31.552 6.600 1.00 0.00 ATOM 172 N SER A 23 -10.195 31.050 7.817 1.00 0.00 ATOM 173 CA SER A 23 -10.670 31.843 8.953 1.00 0.00 ATOM 174 CB SER A 23 -12.030 31.331 9.432 1.00 0.00 ATOM 175 OG SER A 23 -12.596 32.209 10.390 1.00 0.00 ATOM 176 O SER A 23 -10.061 31.189 11.159 1.00 0.00 ATOM 177 C SER A 23 -9.708 31.776 10.130 1.00 0.00 ATOM 178 N LYS A 24 -8.670 32.597 10.071 1.00 0.00 ATOM 179 CA LYS A 24 -7.560 32.589 11.051 1.00 0.00 ATOM 180 CB LYS A 24 -7.932 33.409 12.288 1.00 0.00 ATOM 181 CG LYS A 24 -8.076 34.899 12.025 1.00 0.00 ATOM 182 CD LYS A 24 -8.421 35.654 13.298 1.00 0.00 ATOM 183 CE LYS A 24 -8.580 37.142 13.032 1.00 0.00 ATOM 184 NZ LYS A 24 -8.932 37.893 14.269 1.00 0.00 ATOM 185 O LYS A 24 -6.536 30.411 10.847 1.00 0.00 ATOM 186 C LYS A 24 -7.184 31.191 11.547 1.00 0.00 ATOM 187 N ASP A 25 -7.615 30.883 12.760 1.00 0.00 ATOM 188 CA ASP A 25 -7.319 29.587 13.392 1.00 0.00 ATOM 189 CB ASP A 25 -7.394 29.704 14.916 1.00 0.00 ATOM 190 CG ASP A 25 -8.794 30.017 15.408 1.00 0.00 ATOM 191 OD1 ASP A 25 -9.710 30.123 14.565 1.00 0.00 ATOM 192 OD2 ASP A 25 -8.974 30.157 16.635 1.00 0.00 ATOM 193 O ASP A 25 -8.278 27.405 13.663 1.00 0.00 ATOM 194 C ASP A 25 -8.278 28.447 13.000 1.00 0.00 ATOM 195 N GLU A 26 -9.149 28.665 12.029 1.00 0.00 ATOM 196 CA GLU A 26 -10.098 27.629 11.607 1.00 0.00 ATOM 197 CB GLU A 26 -11.505 28.214 11.472 1.00 0.00 ATOM 198 CG GLU A 26 -12.122 28.657 12.789 1.00 0.00 ATOM 199 CD GLU A 26 -13.540 29.168 12.626 1.00 0.00 ATOM 200 OE1 GLU A 26 -14.061 29.123 11.492 1.00 0.00 ATOM 201 OE2 GLU A 26 -14.130 29.613 13.632 1.00 0.00 ATOM 202 O GLU A 26 -9.719 27.655 9.210 1.00 0.00 ATOM 203 C GLU A 26 -9.754 26.994 10.260 1.00 0.00 ATOM 204 N LEU A 27 -9.582 25.684 10.308 1.00 0.00 ATOM 205 CA LEU A 27 -9.382 24.887 9.093 1.00 0.00 ATOM 206 CB LEU A 27 -8.465 23.696 9.379 1.00 0.00 ATOM 207 CG LEU A 27 -8.176 22.765 8.199 1.00 0.00 ATOM 208 CD1 LEU A 27 -7.369 23.485 7.131 1.00 0.00 ATOM 209 CD2 LEU A 27 -7.384 21.549 8.655 1.00 0.00 ATOM 210 O LEU A 27 -11.535 23.842 9.378 1.00 0.00 ATOM 211 C LEU A 27 -10.732 24.370 8.600 1.00 0.00 ATOM 212 N ILE A 28 -10.994 24.618 7.330 1.00 0.00 ATOM 213 CA ILE A 28 -12.256 24.252 6.694 1.00 0.00 ATOM 214 CB ILE A 28 -12.806 25.401 5.828 1.00 0.00 ATOM 215 CG1 ILE A 28 -13.113 26.623 6.696 1.00 0.00 ATOM 216 CG2 ILE A 28 -14.086 24.974 5.127 1.00 0.00 ATOM 217 CD1 ILE A 28 -13.409 27.877 5.903 1.00 0.00 ATOM 218 O ILE A 28 -11.044 22.794 5.187 1.00 0.00 ATOM 219 C ILE A 28 -12.107 23.027 5.776 1.00 0.00 ATOM 220 N CYS A 29 -13.090 22.144 5.865 1.00 0.00 ATOM 221 CA CYS A 29 -13.212 21.004 4.940 1.00 0.00 ATOM 222 CB CYS A 29 -14.402 20.124 5.328 1.00 0.00 ATOM 223 SG CYS A 29 -14.208 19.257 6.902 1.00 0.00 ATOM 224 O CYS A 29 -14.261 22.304 3.225 1.00 0.00 ATOM 225 C CYS A 29 -13.423 21.440 3.495 1.00 0.00 ATOM 226 N LYS A 30 -12.820 20.706 2.572 1.00 0.00 ATOM 227 CA LYS A 30 -13.075 20.945 1.141 1.00 0.00 ATOM 228 CB LYS A 30 -11.951 20.351 0.290 1.00 0.00 ATOM 229 CG LYS A 30 -10.603 21.027 0.483 1.00 0.00 ATOM 230 CD LYS A 30 -9.534 20.384 -0.385 1.00 0.00 ATOM 231 CE LYS A 30 -8.187 21.064 -0.197 1.00 0.00 ATOM 232 NZ LYS A 30 -7.121 20.420 -1.013 1.00 0.00 ATOM 233 O LYS A 30 -14.900 20.681 -0.397 1.00 0.00 ATOM 234 C LYS A 30 -14.392 20.314 0.668 1.00 0.00 ATOM 235 N GLY A 31 -14.962 19.432 1.478 1.00 0.00 ATOM 236 CA GLY A 31 -16.278 18.840 1.183 1.00 0.00 ATOM 237 O GLY A 31 -17.806 20.594 0.560 1.00 0.00 ATOM 238 C GLY A 31 -17.434 19.810 1.437 1.00 0.00 ATOM 239 N ASP A 32 -17.975 19.773 2.646 1.00 0.00 ATOM 240 CA ASP A 32 -19.103 20.643 3.004 1.00 0.00 ATOM 241 CB ASP A 32 -20.061 19.917 3.951 1.00 0.00 ATOM 242 CG ASP A 32 -20.797 18.777 3.273 1.00 0.00 ATOM 243 OD1 ASP A 32 -20.824 18.747 2.025 1.00 0.00 ATOM 244 OD2 ASP A 32 -21.346 17.915 3.991 1.00 0.00 ATOM 245 O ASP A 32 -19.491 22.625 4.332 1.00 0.00 ATOM 246 C ASP A 32 -18.669 21.938 3.710 1.00 0.00 ATOM 247 N ARG A 33 -17.382 22.237 3.627 1.00 0.00 ATOM 248 CA ARG A 33 -16.800 23.456 4.202 1.00 0.00 ATOM 249 CB ARG A 33 -17.381 24.698 3.524 1.00 0.00 ATOM 250 CG ARG A 33 -17.093 24.785 2.035 1.00 0.00 ATOM 251 CD ARG A 33 -17.495 26.139 1.472 1.00 0.00 ATOM 252 NE ARG A 33 -17.509 26.143 0.011 1.00 0.00 ATOM 253 CZ ARG A 33 -17.698 27.229 -0.731 1.00 0.00 ATOM 254 NH1 ARG A 33 -17.694 27.136 -2.054 1.00 0.00 ATOM 255 NH2 ARG A 33 -17.891 28.404 -0.149 1.00 0.00 ATOM 256 O ARG A 33 -17.659 24.600 6.130 1.00 0.00 ATOM 257 C ARG A 33 -17.055 23.613 5.700 1.00 0.00 ATOM 258 N LEU A 34 -16.595 22.651 6.481 1.00 0.00 ATOM 259 CA LEU A 34 -16.770 22.707 7.946 1.00 0.00 ATOM 260 CB LEU A 34 -17.012 21.306 8.511 1.00 0.00 ATOM 261 CG LEU A 34 -17.163 21.204 10.030 1.00 0.00 ATOM 262 CD1 LEU A 34 -18.409 21.939 10.497 1.00 0.00 ATOM 263 CD2 LEU A 34 -17.277 19.750 10.462 1.00 0.00 ATOM 264 O LEU A 34 -14.413 22.789 8.382 1.00 0.00 ATOM 265 C LEU A 34 -15.521 23.288 8.614 1.00 0.00 ATOM 266 N ALA A 35 -15.706 24.346 9.390 1.00 0.00 ATOM 267 CA ALA A 35 -14.594 25.091 10.010 1.00 0.00 ATOM 268 CB ALA A 35 -14.848 26.588 9.928 1.00 0.00 ATOM 269 O ALA A 35 -15.197 25.035 12.372 1.00 0.00 ATOM 270 C ALA A 35 -14.360 24.775 11.491 1.00 0.00 ATOM 271 N PHE A 36 -13.137 24.337 11.743 1.00 0.00 ATOM 272 CA PHE A 36 -12.681 23.946 13.089 1.00 0.00 ATOM 273 CB PHE A 36 -12.188 22.497 13.088 1.00 0.00 ATOM 274 CG PHE A 36 -13.261 21.493 12.779 1.00 0.00 ATOM 275 CD1 PHE A 36 -13.500 21.093 11.475 1.00 0.00 ATOM 276 CD2 PHE A 36 -14.031 20.947 13.791 1.00 0.00 ATOM 277 CE1 PHE A 36 -14.487 20.168 11.190 1.00 0.00 ATOM 278 CE2 PHE A 36 -15.018 20.022 13.506 1.00 0.00 ATOM 279 CZ PHE A 36 -15.248 19.633 12.212 1.00 0.00 ATOM 280 O PHE A 36 -10.468 24.869 12.973 1.00 0.00 ATOM 281 C PHE A 36 -11.533 24.813 13.601 1.00 0.00 ATOM 282 N PRO A 37 -11.757 25.512 14.702 1.00 0.00 ATOM 283 CA PRO A 37 -10.666 26.218 15.387 1.00 0.00 ATOM 284 CB PRO A 37 -11.381 27.094 16.417 1.00 0.00 ATOM 285 CG PRO A 37 -12.656 26.373 16.700 1.00 0.00 ATOM 286 CD PRO A 37 -13.058 25.715 15.410 1.00 0.00 ATOM 287 O PRO A 37 -10.036 24.749 17.145 1.00 0.00 ATOM 288 C PRO A 37 -9.706 25.242 16.061 1.00 0.00 ATOM 289 N ILE A 38 -8.461 25.274 15.608 1.00 0.00 ATOM 290 CA ILE A 38 -7.399 24.294 15.941 1.00 0.00 ATOM 291 CB ILE A 38 -6.002 24.940 15.897 1.00 0.00 ATOM 292 CG1 ILE A 38 -5.667 25.392 14.474 1.00 0.00 ATOM 293 CG2 ILE A 38 -4.942 23.946 16.349 1.00 0.00 ATOM 294 CD1 ILE A 38 -4.432 26.261 14.384 1.00 0.00 ATOM 295 O ILE A 38 -7.943 22.503 17.430 1.00 0.00 ATOM 296 C ILE A 38 -7.490 23.647 17.326 1.00 0.00 ATOM 297 N LYS A 39 -7.273 24.415 18.384 1.00 0.00 ATOM 298 CA LYS A 39 -7.169 23.807 19.718 1.00 0.00 ATOM 299 CB LYS A 39 -6.620 24.818 20.726 1.00 0.00 ATOM 300 CG LYS A 39 -5.154 25.165 20.522 1.00 0.00 ATOM 301 CD LYS A 39 -4.677 26.175 21.553 1.00 0.00 ATOM 302 CE LYS A 39 -3.211 26.522 21.348 1.00 0.00 ATOM 303 NZ LYS A 39 -2.737 27.533 22.333 1.00 0.00 ATOM 304 O LYS A 39 -8.481 22.265 20.975 1.00 0.00 ATOM 305 C LYS A 39 -8.488 23.302 20.301 1.00 0.00 ATOM 306 N ASP A 40 -9.603 23.909 19.928 1.00 0.00 ATOM 307 CA ASP A 40 -10.877 23.540 20.552 1.00 0.00 ATOM 308 CB ASP A 40 -11.742 24.781 20.778 1.00 0.00 ATOM 309 CG ASP A 40 -11.114 25.761 21.750 1.00 0.00 ATOM 310 OD1 ASP A 40 -10.784 25.346 22.881 1.00 0.00 ATOM 311 OD2 ASP A 40 -10.952 26.943 21.381 1.00 0.00 ATOM 312 O ASP A 40 -12.449 21.774 20.175 1.00 0.00 ATOM 313 C ASP A 40 -11.652 22.576 19.674 1.00 0.00 ATOM 314 N GLY A 41 -11.414 22.662 18.379 1.00 0.00 ATOM 315 CA GLY A 41 -12.022 21.763 17.398 1.00 0.00 ATOM 316 O GLY A 41 -13.713 22.669 15.988 1.00 0.00 ATOM 317 C GLY A 41 -13.465 22.071 17.040 1.00 0.00 ATOM 318 N ILE A 42 -14.359 21.718 17.959 1.00 0.00 ATOM 319 CA ILE A 42 -15.829 21.791 17.824 1.00 0.00 ATOM 320 CB ILE A 42 -16.500 22.173 19.157 1.00 0.00 ATOM 321 CG1 ILE A 42 -16.257 21.087 20.207 1.00 0.00 ATOM 322 CG2 ILE A 42 -18.001 22.335 18.970 1.00 0.00 ATOM 323 CD1 ILE A 42 -16.677 21.485 21.605 1.00 0.00 ATOM 324 O ILE A 42 -15.951 23.998 16.903 1.00 0.00 ATOM 325 C ILE A 42 -16.297 22.817 16.803 1.00 0.00 ATOM 326 N PRO A 43 -17.039 22.330 15.817 1.00 0.00 ATOM 327 CA PRO A 43 -17.384 23.120 14.631 1.00 0.00 ATOM 328 CB PRO A 43 -18.292 22.193 13.820 1.00 0.00 ATOM 329 CG PRO A 43 -17.907 20.819 14.255 1.00 0.00 ATOM 330 CD PRO A 43 -17.588 20.919 15.721 1.00 0.00 ATOM 331 O PRO A 43 -19.183 24.360 15.613 1.00 0.00 ATOM 332 C PRO A 43 -18.101 24.400 15.017 1.00 0.00 ATOM 333 N MET A 44 -17.470 25.526 14.731 1.00 0.00 ATOM 334 CA MET A 44 -18.081 26.806 15.087 1.00 0.00 ATOM 335 CB MET A 44 -17.007 27.821 15.482 1.00 0.00 ATOM 336 CG MET A 44 -16.232 27.449 16.736 1.00 0.00 ATOM 337 SD MET A 44 -17.296 27.253 18.178 1.00 0.00 ATOM 338 CE MET A 44 -17.810 28.946 18.452 1.00 0.00 ATOM 339 O MET A 44 -19.994 27.813 14.031 1.00 0.00 ATOM 340 C MET A 44 -18.855 27.348 13.903 1.00 0.00 ATOM 341 N MET A 45 -18.224 27.259 12.745 1.00 0.00 ATOM 342 CA MET A 45 -18.898 27.643 11.511 1.00 0.00 ATOM 343 CB MET A 45 -18.253 28.896 10.916 1.00 0.00 ATOM 344 CG MET A 45 -18.361 30.129 11.799 1.00 0.00 ATOM 345 SD MET A 45 -17.646 31.597 11.035 1.00 0.00 ATOM 346 CE MET A 45 -18.893 31.982 9.808 1.00 0.00 ATOM 347 O MET A 45 -17.964 25.637 10.527 1.00 0.00 ATOM 348 C MET A 45 -18.815 26.532 10.481 1.00 0.00 ATOM 349 N LEU A 46 -19.777 26.582 9.597 1.00 0.00 ATOM 350 CA LEU A 46 -19.915 25.589 8.535 1.00 0.00 ATOM 351 CB LEU A 46 -20.797 24.428 8.998 1.00 0.00 ATOM 352 CG LEU A 46 -21.064 23.327 7.970 1.00 0.00 ATOM 353 CD1 LEU A 46 -19.771 22.623 7.589 1.00 0.00 ATOM 354 CD2 LEU A 46 -22.023 22.288 8.531 1.00 0.00 ATOM 355 O LEU A 46 -21.642 26.848 7.443 1.00 0.00 ATOM 356 C LEU A 46 -20.552 26.278 7.342 1.00 0.00 ATOM 357 N GLU A 47 -19.860 26.239 6.218 1.00 0.00 ATOM 358 CA GLU A 47 -20.357 26.925 5.022 1.00 0.00 ATOM 359 CB GLU A 47 -19.191 27.414 4.161 1.00 0.00 ATOM 360 CG GLU A 47 -18.271 28.400 4.865 1.00 0.00 ATOM 361 CD GLU A 47 -18.993 29.658 5.305 1.00 0.00 ATOM 362 OE1 GLU A 47 -19.713 30.251 4.474 1.00 0.00 ATOM 363 OE2 GLU A 47 -18.838 30.052 6.480 1.00 0.00 ATOM 364 O GLU A 47 -21.614 26.438 3.056 1.00 0.00 ATOM 365 C GLU A 47 -21.218 26.030 4.147 1.00 0.00 ATOM 366 N SER A 48 -21.565 24.865 4.657 1.00 0.00 ATOM 367 CA SER A 48 -22.750 24.131 4.164 1.00 0.00 ATOM 368 CB SER A 48 -22.675 22.658 4.570 1.00 0.00 ATOM 369 OG SER A 48 -23.850 21.963 4.189 1.00 0.00 ATOM 370 O SER A 48 -24.921 23.963 5.177 1.00 0.00 ATOM 371 C SER A 48 -24.043 24.722 4.744 1.00 0.00 ATOM 372 N GLU A 49 -24.162 26.050 4.696 1.00 0.00 ATOM 373 CA GLU A 49 -25.321 26.815 5.216 1.00 0.00 ATOM 374 CB GLU A 49 -26.574 26.518 4.389 1.00 0.00 ATOM 375 CG GLU A 49 -26.460 26.912 2.926 1.00 0.00 ATOM 376 CD GLU A 49 -27.713 26.590 2.136 1.00 0.00 ATOM 377 OE1 GLU A 49 -28.700 26.131 2.749 1.00 0.00 ATOM 378 OE2 GLU A 49 -27.708 26.796 0.904 1.00 0.00 ATOM 379 O GLU A 49 -26.798 26.259 6.977 1.00 0.00 ATOM 380 C GLU A 49 -25.626 26.460 6.669 1.00 0.00 ATOM 381 N ALA A 50 -24.666 26.539 7.576 1.00 0.00 ATOM 382 CA ALA A 50 -24.858 26.023 8.945 1.00 0.00 ATOM 383 CB ALA A 50 -23.549 26.071 9.718 1.00 0.00 ATOM 384 O ALA A 50 -26.546 26.149 10.638 1.00 0.00 ATOM 385 C ALA A 50 -25.859 26.758 9.809 1.00 0.00 ATOM 386 N ARG A 51 -26.067 28.020 9.488 1.00 0.00 ATOM 387 CA ARG A 51 -27.037 28.825 10.239 1.00 0.00 ATOM 388 CB ARG A 51 -26.859 30.311 9.923 1.00 0.00 ATOM 389 CG ARG A 51 -25.583 30.917 10.486 1.00 0.00 ATOM 390 CD ARG A 51 -25.446 32.379 10.094 1.00 0.00 ATOM 391 NE ARG A 51 -24.196 32.960 10.576 1.00 0.00 ATOM 392 CZ ARG A 51 -23.727 34.144 10.196 1.00 0.00 ATOM 393 NH1 ARG A 51 -22.579 34.592 10.688 1.00 0.00 ATOM 394 NH2 ARG A 51 -24.406 34.878 9.326 1.00 0.00 ATOM 395 O ARG A 51 -29.319 28.336 10.751 1.00 0.00 ATOM 396 C ARG A 51 -28.460 28.416 9.868 1.00 0.00 ATOM 397 N GLU A 52 -28.571 27.835 8.684 1.00 0.00 ATOM 398 CA GLU A 52 -29.838 27.319 8.175 1.00 0.00 ATOM 399 CB GLU A 52 -29.992 27.648 6.689 1.00 0.00 ATOM 400 CG GLU A 52 -30.069 29.136 6.388 1.00 0.00 ATOM 401 CD GLU A 52 -30.207 29.424 4.906 1.00 0.00 ATOM 402 OE1 GLU A 52 -30.172 28.464 4.108 1.00 0.00 ATOM 403 OE2 GLU A 52 -30.350 30.610 4.542 1.00 0.00 ATOM 404 O GLU A 52 -30.974 25.203 8.215 1.00 0.00 ATOM 405 C GLU A 52 -29.901 25.802 8.344 1.00 0.00 ATOM 406 N LEU A 53 -28.780 25.223 8.744 1.00 0.00 ATOM 407 CA LEU A 53 -28.668 23.779 8.932 1.00 0.00 ATOM 408 CB LEU A 53 -27.220 23.324 8.737 1.00 0.00 ATOM 409 CG LEU A 53 -26.623 23.541 7.345 1.00 0.00 ATOM 410 CD1 LEU A 53 -25.160 23.127 7.317 1.00 0.00 ATOM 411 CD2 LEU A 53 -27.370 22.718 6.306 1.00 0.00 ATOM 412 O LEU A 53 -29.373 22.239 10.629 1.00 0.00 ATOM 413 C LEU A 53 -29.117 23.416 10.345 1.00 0.00 ATOM 414 N ALA A 54 -29.187 24.418 11.214 1.00 0.00 ATOM 415 CA ALA A 54 -29.871 24.287 12.515 1.00 0.00 ATOM 416 CB ALA A 54 -31.229 23.626 12.336 1.00 0.00 ATOM 417 O ALA A 54 -28.360 22.519 13.192 1.00 0.00 ATOM 418 C ALA A 54 -29.108 23.446 13.540 1.00 0.00 ATOM 419 N PRO A 55 -29.377 23.712 14.813 1.00 0.00 ATOM 420 CA PRO A 55 -28.707 22.981 15.897 1.00 0.00 ATOM 421 CB PRO A 55 -29.202 23.671 17.170 1.00 0.00 ATOM 422 CG PRO A 55 -30.500 24.292 16.777 1.00 0.00 ATOM 423 CD PRO A 55 -30.338 24.730 15.349 1.00 0.00 ATOM 424 O PRO A 55 -28.157 20.731 16.406 1.00 0.00 ATOM 425 C PRO A 55 -29.028 21.483 15.961 1.00 0.00 ATOM 426 N GLU A 56 -30.080 21.018 15.298 1.00 0.00 ATOM 427 CA GLU A 56 -30.352 19.576 15.288 1.00 0.00 ATOM 428 CB GLU A 56 -31.748 19.298 14.726 1.00 0.00 ATOM 429 CG GLU A 56 -32.882 19.737 15.638 1.00 0.00 ATOM 430 CD GLU A 56 -34.247 19.530 15.011 1.00 0.00 ATOM 431 OE1 GLU A 56 -34.303 19.102 13.839 1.00 0.00 ATOM 432 OE2 GLU A 56 -35.260 19.796 15.691 1.00 0.00 ATOM 433 O GLU A 56 -28.796 17.815 14.897 1.00 0.00 ATOM 434 C GLU A 56 -29.345 18.819 14.430 1.00 0.00 ATOM 435 N GLU A 57 -28.884 19.449 13.360 1.00 0.00 ATOM 436 CA GLU A 57 -27.871 18.812 12.526 1.00 0.00 ATOM 437 CB GLU A 57 -27.856 19.437 11.129 1.00 0.00 ATOM 438 CG GLU A 57 -29.121 19.187 10.325 1.00 0.00 ATOM 439 CD GLU A 57 -29.079 19.839 8.956 1.00 0.00 ATOM 440 OE1 GLU A 57 -28.041 20.444 8.618 1.00 0.00 ATOM 441 OE2 GLU A 57 -30.085 19.743 8.222 1.00 0.00 ATOM 442 O GLU A 57 -25.692 18.039 13.066 1.00 0.00 ATOM 443 C GLU A 57 -26.488 18.978 13.139 1.00 0.00 ATOM 444 N GLU A 58 -26.329 19.980 13.988 1.00 0.00 ATOM 445 CA GLU A 58 -25.057 20.152 14.694 1.00 0.00 ATOM 446 CB GLU A 58 -24.956 21.561 15.281 1.00 0.00 ATOM 447 CG GLU A 58 -24.868 22.663 14.237 1.00 0.00 ATOM 448 CD GLU A 58 -24.840 24.048 14.853 1.00 0.00 ATOM 449 OE1 GLU A 58 -24.903 24.147 16.097 1.00 0.00 ATOM 450 OE2 GLU A 58 -24.755 25.035 14.093 1.00 0.00 ATOM 451 O GLU A 58 -23.822 18.618 16.044 1.00 0.00 ATOM 452 C GLU A 58 -24.919 19.153 15.840 1.00 0.00 ATOM 453 N VAL A 59 -26.040 18.727 16.399 1.00 0.00 ATOM 454 CA VAL A 59 -26.008 17.687 17.428 1.00 0.00 ATOM 455 CB VAL A 59 -27.314 17.659 18.243 1.00 0.00 ATOM 456 CG1 VAL A 59 -27.310 16.490 19.216 1.00 0.00 ATOM 457 CG2 VAL A 59 -27.473 18.946 19.039 1.00 0.00 ATOM 458 O VAL A 59 -25.002 15.532 17.309 1.00 0.00 ATOM 459 C VAL A 59 -25.823 16.308 16.806 1.00 0.00 ATOM 460 N LYS A 60 -26.311 16.134 15.588 1.00 0.00 ATOM 461 CA LYS A 60 -26.078 14.873 14.875 1.00 0.00 ATOM 462 CB LYS A 60 -26.985 14.777 13.647 1.00 0.00 ATOM 463 CG LYS A 60 -28.456 14.581 13.975 1.00 0.00 ATOM 464 CD LYS A 60 -29.298 14.498 12.712 1.00 0.00 ATOM 465 CE LYS A 60 -30.769 14.303 13.040 1.00 0.00 ATOM 466 NZ LYS A 60 -31.610 14.249 11.813 1.00 0.00 ATOM 467 O LYS A 60 -23.998 13.719 14.616 1.00 0.00 ATOM 468 C LYS A 60 -24.630 14.763 14.403 1.00 0.00 ATOM 469 N LEU A 61 -24.044 15.896 14.049 1.00 0.00 ATOM 470 CA LEU A 61 -22.637 15.922 13.643 1.00 0.00 ATOM 471 CB LEU A 61 -22.275 17.286 13.052 1.00 0.00 ATOM 472 CG LEU A 61 -22.905 17.629 11.701 1.00 0.00 ATOM 473 CD1 LEU A 61 -22.608 19.071 11.320 1.00 0.00 ATOM 474 CD2 LEU A 61 -22.357 16.725 10.607 1.00 0.00 ATOM 475 O LEU A 61 -20.813 14.816 14.698 1.00 0.00 ATOM 476 C LEU A 61 -21.704 15.663 14.817 1.00 0.00 ATOM 477 N GLU A 62 -22.061 16.160 15.989 1.00 0.00 ATOM 478 CA GLU A 62 -21.206 15.959 17.163 1.00 0.00 ATOM 479 CB GLU A 62 -21.499 17.019 18.227 1.00 0.00 ATOM 480 CG GLU A 62 -21.128 18.433 17.813 1.00 0.00 ATOM 481 CD GLU A 62 -21.452 19.458 18.882 1.00 0.00 ATOM 482 OE1 GLU A 62 -21.922 19.055 19.967 1.00 0.00 ATOM 483 OE2 GLU A 62 -21.237 20.663 18.636 1.00 0.00 ATOM 484 O GLU A 62 -20.428 14.064 18.390 1.00 0.00 ATOM 485 C GLU A 62 -21.397 14.598 17.829 1.00 0.00 ATOM 486 N HIS A 63 -22.549 13.981 17.614 1.00 0.00 ATOM 487 CA HIS A 63 -22.804 12.643 18.150 1.00 0.00 ATOM 488 CB HIS A 63 -24.308 12.371 18.218 1.00 0.00 ATOM 489 CG HIS A 63 -24.657 11.066 18.864 1.00 0.00 ATOM 490 CD2 HIS A 63 -25.246 9.812 18.419 1.00 0.00 ATOM 491 ND1 HIS A 63 -24.437 10.815 20.201 1.00 0.00 ATOM 492 CE1 HIS A 63 -24.850 9.567 20.486 1.00 0.00 ATOM 493 NE2 HIS A 63 -25.336 8.960 19.421 1.00 0.00 ATOM 494 O HIS A 63 -21.755 10.517 17.766 1.00 0.00 ATOM 495 C HIS A 63 -22.168 11.573 17.274 1.00 0.00 ATOM 496 N HIS A 64 -21.996 11.893 16.004 1.00 0.00 ATOM 497 CA HIS A 64 -21.258 10.987 15.141 1.00 0.00 ATOM 498 CB HIS A 64 -21.598 11.249 13.673 1.00 0.00 ATOM 499 CG HIS A 64 -23.004 10.889 13.305 1.00 0.00 ATOM 500 CD2 HIS A 64 -24.084 10.144 13.936 1.00 0.00 ATOM 501 ND1 HIS A 64 -23.584 11.273 12.115 1.00 0.00 ATOM 502 CE1 HIS A 64 -24.844 10.804 12.071 1.00 0.00 ATOM 503 NE2 HIS A 64 -25.151 10.126 13.160 1.00 0.00 ATOM 504 O HIS A 64 -19.052 10.254 15.697 1.00 0.00 ATOM 505 C HIS A 64 -19.769 11.206 15.358 1.00 0.00 ATOM 506 N HIS A 65 -19.348 12.462 15.346 1.00 0.00 ATOM 507 CA HIS A 65 -17.915 12.714 15.426 1.00 0.00 ATOM 508 CB HIS A 65 -17.336 12.962 14.032 1.00 0.00 ATOM 509 CG HIS A 65 -17.542 11.825 13.081 1.00 0.00 ATOM 510 CD2 HIS A 65 -18.438 11.552 11.966 1.00 0.00 ATOM 511 ND1 HIS A 65 -16.788 10.672 13.125 1.00 0.00 ATOM 512 CE1 HIS A 65 -17.202 9.840 12.153 1.00 0.00 ATOM 513 NE2 HIS A 65 -18.192 10.361 11.454 1.00 0.00 ATOM 514 O HIS A 65 -16.846 14.862 15.690 1.00 0.00 ATOM 515 C HIS A 65 -17.376 13.879 16.227 1.00 0.00 ATOM 516 N HIS A 66 -17.478 13.719 17.526 1.00 0.00 ATOM 517 CA HIS A 66 -16.259 13.895 18.297 1.00 0.00 ATOM 518 CB HIS A 66 -16.458 14.959 19.379 1.00 0.00 ATOM 519 CG HIS A 66 -16.795 16.314 18.839 1.00 0.00 ATOM 520 CD2 HIS A 66 -18.011 17.101 18.693 1.00 0.00 ATOM 521 ND1 HIS A 66 -15.845 17.161 18.311 1.00 0.00 ATOM 522 CE1 HIS A 66 -16.446 18.297 17.911 1.00 0.00 ATOM 523 NE2 HIS A 66 -17.745 18.267 18.137 1.00 0.00 ATOM 524 O HIS A 66 -15.030 11.836 18.573 1.00 0.00 ATOM 525 C HIS A 66 -16.007 12.525 18.895 1.00 0.00 ATOM 526 N HIS A 67 -17.013 12.087 19.626 1.00 0.00 ATOM 527 CA HIS A 67 -16.947 10.804 20.302 1.00 0.00 ATOM 528 CB HIS A 67 -17.067 10.989 21.816 1.00 0.00 ATOM 529 CG HIS A 67 -15.981 11.831 22.410 1.00 0.00 ATOM 530 CD2 HIS A 67 -15.833 13.234 22.768 1.00 0.00 ATOM 531 ND1 HIS A 67 -14.752 11.319 22.765 1.00 0.00 ATOM 532 CE1 HIS A 67 -13.993 12.309 23.267 1.00 0.00 ATOM 533 NE2 HIS A 67 -14.635 13.461 23.272 1.00 0.00 ATOM 534 O HIS A 67 -19.258 10.294 19.926 1.00 0.00 ATOM 535 C HIS A 67 -18.083 9.931 19.817 1.00 0.00 ATOM 536 N HIS A 68 -17.700 8.812 19.236 1.00 0.00 ATOM 537 CA HIS A 68 -18.661 7.842 18.735 1.00 0.00 ATOM 538 CB HIS A 68 -17.944 6.709 17.998 1.00 0.00 ATOM 539 CG HIS A 68 -17.194 7.158 16.783 1.00 0.00 ATOM 540 CD2 HIS A 68 -15.792 7.235 16.398 1.00 0.00 ATOM 541 ND1 HIS A 68 -17.822 7.648 15.659 1.00 0.00 ATOM 542 CE1 HIS A 68 -16.892 7.966 14.741 1.00 0.00 ATOM 543 NE2 HIS A 68 -15.671 7.721 15.178 1.00 0.00 ATOM 544 O HIS A 68 -18.915 7.052 20.949 1.00 0.00 ATOM 545 C HIS A 68 -19.475 7.224 19.874 1.00 0.00 ENDMDL