EXPDTA PROTINFO_TS1-scwrl MODEL 1 REMARK 44 REMARK 44 model 1 is called PROTINFO_TS1-scwrl ATOM 1 N MET A 1 1.653 -0.354 0.196 1.00 0.00 ATOM 2 CA MET A 1 2.313 -0.374 -1.125 1.00 0.00 ATOM 3 CB MET A 1 3.348 -1.499 -1.190 1.00 0.00 ATOM 4 CG MET A 1 4.547 -1.291 -0.278 1.00 0.00 ATOM 5 SD MET A 1 5.714 -2.664 -0.341 1.00 0.00 ATOM 6 CE MET A 1 6.400 -2.451 -1.982 1.00 0.00 ATOM 7 O MET A 1 0.510 0.298 -2.527 1.00 0.00 ATOM 8 C MET A 1 1.309 -0.598 -2.254 1.00 0.00 ATOM 9 N ASP A 2 1.327 -1.787 -2.842 1.00 0.00 ATOM 10 CA ASP A 2 0.489 -2.230 -3.984 1.00 0.00 ATOM 11 CB ASP A 2 0.442 -3.758 -4.053 1.00 0.00 ATOM 12 CG ASP A 2 -0.198 -4.377 -2.827 1.00 0.00 ATOM 13 OD1 ASP A 2 -0.637 -3.617 -1.938 1.00 0.00 ATOM 14 OD2 ASP A 2 -0.262 -5.623 -2.755 1.00 0.00 ATOM 15 O ASP A 2 -1.433 -1.213 -2.939 1.00 0.00 ATOM 16 C ASP A 2 -0.980 -1.766 -3.946 1.00 0.00 ATOM 17 N ALA A 3 -1.772 -2.195 -4.921 1.00 0.00 ATOM 18 CA ALA A 3 -3.163 -1.711 -5.095 1.00 0.00 ATOM 19 CB ALA A 3 -3.792 -2.338 -6.329 1.00 0.00 ATOM 20 O ALA A 3 -5.160 -1.279 -3.822 1.00 0.00 ATOM 21 C ALA A 3 -4.157 -1.997 -3.957 1.00 0.00 ATOM 22 N LYS A 4 -3.759 -2.849 -3.022 1.00 0.00 ATOM 23 CA LYS A 4 -4.516 -3.084 -1.788 1.00 0.00 ATOM 24 CB LYS A 4 -3.988 -4.323 -1.063 1.00 0.00 ATOM 25 CG LYS A 4 -4.226 -5.627 -1.808 1.00 0.00 ATOM 26 CD LYS A 4 -3.686 -6.815 -1.028 1.00 0.00 ATOM 27 CE LYS A 4 -3.935 -8.119 -1.767 1.00 0.00 ATOM 28 NZ LYS A 4 -3.401 -9.292 -1.020 1.00 0.00 ATOM 29 O LYS A 4 -5.311 -1.783 0.049 1.00 0.00 ATOM 30 C LYS A 4 -4.429 -1.911 -0.803 1.00 0.00 ATOM 31 N PHE A 5 -3.523 -0.974 -1.038 1.00 0.00 ATOM 32 CA PHE A 5 -3.384 0.235 -0.218 1.00 0.00 ATOM 33 CB PHE A 5 -2.170 1.051 -0.667 1.00 0.00 ATOM 34 CG PHE A 5 -1.948 2.300 0.136 1.00 0.00 ATOM 35 CD1 PHE A 5 -1.378 2.238 1.396 1.00 0.00 ATOM 36 CD2 PHE A 5 -2.309 3.537 -0.368 1.00 0.00 ATOM 37 CE1 PHE A 5 -1.174 3.388 2.135 1.00 0.00 ATOM 38 CE2 PHE A 5 -2.105 4.687 0.372 1.00 0.00 ATOM 39 CZ PHE A 5 -1.540 4.616 1.618 1.00 0.00 ATOM 40 O PHE A 5 -5.257 1.468 0.669 1.00 0.00 ATOM 41 C PHE A 5 -4.620 1.117 -0.336 1.00 0.00 ATOM 42 N LEU A 6 -5.103 1.235 -1.559 1.00 0.00 ATOM 43 CA LEU A 6 -6.253 2.093 -1.821 1.00 0.00 ATOM 44 CB LEU A 6 -6.207 2.627 -3.254 1.00 0.00 ATOM 45 CG LEU A 6 -5.019 3.525 -3.605 1.00 0.00 ATOM 46 CD1 LEU A 6 -5.046 3.900 -5.079 1.00 0.00 ATOM 47 CD2 LEU A 6 -5.053 4.807 -2.788 1.00 0.00 ATOM 48 O LEU A 6 -8.587 1.875 -1.297 1.00 0.00 ATOM 49 C LEU A 6 -7.546 1.303 -1.634 1.00 0.00 ATOM 50 N GLU A 7 -7.389 -0.011 -1.585 1.00 0.00 ATOM 51 CA GLU A 7 -8.501 -0.930 -1.339 1.00 0.00 ATOM 52 CB GLU A 7 -8.163 -2.330 -1.855 1.00 0.00 ATOM 53 CG GLU A 7 -8.019 -2.417 -3.366 1.00 0.00 ATOM 54 CD GLU A 7 -7.663 -3.813 -3.838 1.00 0.00 ATOM 55 OE1 GLU A 7 -7.578 -4.724 -2.988 1.00 0.00 ATOM 56 OE2 GLU A 7 -7.470 -3.996 -5.058 1.00 0.00 ATOM 57 O GLU A 7 -9.976 -1.336 0.510 1.00 0.00 ATOM 58 C GLU A 7 -8.827 -1.052 0.152 1.00 0.00 ATOM 59 N ILE A 8 -7.854 -0.778 1.009 1.00 0.00 ATOM 60 CA ILE A 8 -8.119 -0.787 2.449 1.00 0.00 ATOM 61 CB ILE A 8 -6.903 -1.299 3.243 1.00 0.00 ATOM 62 CG1 ILE A 8 -5.718 -0.345 3.078 1.00 0.00 ATOM 63 CG2 ILE A 8 -6.486 -2.676 2.751 1.00 0.00 ATOM 64 CD1 ILE A 8 -4.549 -0.660 3.986 1.00 0.00 ATOM 65 O ILE A 8 -8.857 0.765 4.113 1.00 0.00 ATOM 66 C ILE A 8 -8.444 0.613 2.955 1.00 0.00 ATOM 67 N LEU A 9 -8.236 1.604 2.092 1.00 0.00 ATOM 68 CA LEU A 9 -8.642 2.995 2.341 1.00 0.00 ATOM 69 CB LEU A 9 -10.161 3.090 2.496 1.00 0.00 ATOM 70 CG LEU A 9 -10.995 2.602 1.310 1.00 0.00 ATOM 71 CD1 LEU A 9 -12.481 2.699 1.621 1.00 0.00 ATOM 72 CD2 LEU A 9 -10.714 3.442 0.073 1.00 0.00 ATOM 73 O LEU A 9 -8.654 4.213 4.421 1.00 0.00 ATOM 74 C LEU A 9 -7.995 3.533 3.623 1.00 0.00 ATOM 75 N VAL A 10 -6.712 3.253 3.799 1.00 0.00 ATOM 76 CA VAL A 10 -6.055 3.639 5.045 1.00 0.00 ATOM 77 CB VAL A 10 -5.867 2.431 5.982 1.00 0.00 ATOM 78 CG1 VAL A 10 -5.173 2.856 7.266 1.00 0.00 ATOM 79 CG2 VAL A 10 -7.213 1.821 6.342 1.00 0.00 ATOM 80 O VAL A 10 -3.786 3.653 4.139 1.00 0.00 ATOM 81 C VAL A 10 -4.671 4.236 4.775 1.00 0.00 ATOM 82 N CYS A 11 -4.583 5.505 5.112 1.00 0.00 ATOM 83 CA CYS A 11 -3.352 6.274 4.926 1.00 0.00 ATOM 84 CB CYS A 11 -3.641 7.775 5.002 1.00 0.00 ATOM 85 SG CYS A 11 -4.694 8.400 3.672 1.00 0.00 ATOM 86 O CYS A 11 -2.576 5.926 7.165 1.00 0.00 ATOM 87 C CYS A 11 -2.283 5.980 5.970 1.00 0.00 ATOM 88 N PRO A 12 -1.035 6.006 5.536 1.00 0.00 ATOM 89 CA PRO A 12 0.120 5.651 6.384 1.00 0.00 ATOM 90 CB PRO A 12 1.223 5.306 5.381 1.00 0.00 ATOM 91 CG PRO A 12 0.963 6.202 4.217 1.00 0.00 ATOM 92 CD PRO A 12 -0.531 6.295 4.088 1.00 0.00 ATOM 93 O PRO A 12 1.689 6.629 7.920 1.00 0.00 ATOM 94 C PRO A 12 0.609 6.759 7.325 1.00 0.00 ATOM 95 N LEU A 13 -0.130 7.857 7.396 1.00 0.00 ATOM 96 CA LEU A 13 0.190 8.931 8.324 1.00 0.00 ATOM 97 CB LEU A 13 -0.452 10.243 7.868 1.00 0.00 ATOM 98 CG LEU A 13 -0.204 11.464 8.755 1.00 0.00 ATOM 99 CD1 LEU A 13 1.282 11.784 8.825 1.00 0.00 ATOM 100 CD2 LEU A 13 -0.927 12.684 8.206 1.00 0.00 ATOM 101 O LEU A 13 0.453 8.661 10.702 1.00 0.00 ATOM 102 C LEU A 13 -0.319 8.624 9.737 1.00 0.00 ATOM 103 N CYS A 14 -1.565 8.182 9.807 1.00 0.00 ATOM 104 CA CYS A 14 -2.220 7.951 11.100 1.00 0.00 ATOM 105 CB CYS A 14 -2.657 9.278 11.724 1.00 0.00 ATOM 106 SG CYS A 14 -3.874 10.196 10.752 1.00 0.00 ATOM 107 O CYS A 14 -4.407 7.150 11.721 1.00 0.00 ATOM 108 C CYS A 14 -3.457 7.071 10.931 1.00 0.00 ATOM 109 N LYS A 15 -3.408 6.245 9.900 1.00 0.00 ATOM 110 CA LYS A 15 -4.524 5.399 9.464 1.00 0.00 ATOM 111 CB LYS A 15 -4.745 4.253 10.453 1.00 0.00 ATOM 112 CG LYS A 15 -3.569 3.297 10.569 1.00 0.00 ATOM 113 CD LYS A 15 -3.877 2.156 11.525 1.00 0.00 ATOM 114 CE LYS A 15 -2.695 1.209 11.652 1.00 0.00 ATOM 115 NZ LYS A 15 -2.946 0.139 12.657 1.00 0.00 ATOM 116 O LYS A 15 -6.782 5.941 10.138 1.00 0.00 ATOM 117 C LYS A 15 -5.850 6.145 9.351 1.00 0.00 ATOM 118 N GLY A 16 -5.933 6.951 8.304 1.00 0.00 ATOM 119 CA GLY A 16 -7.130 7.758 8.043 1.00 0.00 ATOM 120 O GLY A 16 -7.008 6.931 5.781 1.00 0.00 ATOM 121 C GLY A 16 -7.581 7.673 6.586 1.00 0.00 ATOM 122 N PRO A 17 -8.636 8.412 6.289 1.00 0.00 ATOM 123 CA PRO A 17 -9.331 8.335 4.995 1.00 0.00 ATOM 124 CB PRO A 17 -10.597 9.167 5.205 1.00 0.00 ATOM 125 CG PRO A 17 -10.229 10.146 6.269 1.00 0.00 ATOM 126 CD PRO A 17 -9.289 9.423 7.193 1.00 0.00 ATOM 127 O PRO A 17 -7.727 9.815 3.914 1.00 0.00 ATOM 128 C PRO A 17 -8.540 8.886 3.806 1.00 0.00 ATOM 129 N LEU A 18 -8.849 8.310 2.657 1.00 0.00 ATOM 130 CA LEU A 18 -8.202 8.638 1.381 1.00 0.00 ATOM 131 CB LEU A 18 -7.864 7.362 0.608 1.00 0.00 ATOM 132 CG LEU A 18 -6.889 6.397 1.286 1.00 0.00 ATOM 133 CD1 LEU A 18 -6.714 5.136 0.453 1.00 0.00 ATOM 134 CD2 LEU A 18 -5.524 7.045 1.460 1.00 0.00 ATOM 135 O LEU A 18 -9.334 10.682 0.838 1.00 0.00 ATOM 136 C LEU A 18 -9.147 9.499 0.529 1.00 0.00 ATOM 137 N VAL A 19 -9.895 8.815 -0.331 1.00 0.00 ATOM 138 CA VAL A 19 -10.827 9.369 -1.341 1.00 0.00 ATOM 139 CB VAL A 19 -12.250 9.520 -0.773 1.00 0.00 ATOM 140 CG1 VAL A 19 -13.176 10.136 -1.811 1.00 0.00 ATOM 141 CG2 VAL A 19 -12.811 8.165 -0.372 1.00 0.00 ATOM 142 O VAL A 19 -11.051 11.766 -1.481 1.00 0.00 ATOM 143 C VAL A 19 -10.463 10.756 -1.887 1.00 0.00 ATOM 144 N PHE A 20 -9.570 10.764 -2.870 1.00 0.00 ATOM 145 CA PHE A 20 -9.163 12.004 -3.560 1.00 0.00 ATOM 146 CB PHE A 20 -8.445 12.945 -2.591 1.00 0.00 ATOM 147 CG PHE A 20 -8.107 14.283 -3.184 1.00 0.00 ATOM 148 CD1 PHE A 20 -9.078 15.258 -3.328 1.00 0.00 ATOM 149 CD2 PHE A 20 -6.817 14.567 -3.599 1.00 0.00 ATOM 150 CE1 PHE A 20 -8.767 16.489 -3.874 1.00 0.00 ATOM 151 CE2 PHE A 20 -6.506 15.798 -4.145 1.00 0.00 ATOM 152 CZ PHE A 20 -7.474 16.757 -4.283 1.00 0.00 ATOM 153 O PHE A 20 -6.990 11.795 -4.556 1.00 0.00 ATOM 154 C PHE A 20 -8.211 11.741 -4.730 1.00 0.00 ATOM 155 N ASP A 21 -8.733 11.491 -5.918 1.00 0.00 ATOM 156 CA ASP A 21 -7.825 11.303 -7.063 1.00 0.00 ATOM 157 CB ASP A 21 -8.454 10.367 -8.097 1.00 0.00 ATOM 158 CG ASP A 21 -7.539 10.105 -9.278 1.00 0.00 ATOM 159 OD1 ASP A 21 -6.466 10.740 -9.351 1.00 0.00 ATOM 160 OD2 ASP A 21 -7.896 9.265 -10.131 1.00 0.00 ATOM 161 O ASP A 21 -8.376 13.182 -8.463 1.00 0.00 ATOM 162 C ASP A 21 -7.545 12.646 -7.722 1.00 0.00 ATOM 163 N LYS A 22 -6.340 13.137 -7.498 1.00 0.00 ATOM 164 CA LYS A 22 -5.961 14.445 -8.038 1.00 0.00 ATOM 165 CB LYS A 22 -5.521 15.382 -6.912 1.00 0.00 ATOM 166 CG LYS A 22 -4.275 14.923 -6.173 1.00 0.00 ATOM 167 CD LYS A 22 -3.872 15.917 -5.097 1.00 0.00 ATOM 168 CE LYS A 22 -2.635 15.450 -4.348 1.00 0.00 ATOM 169 NZ LYS A 22 -2.168 16.462 -3.360 1.00 0.00 ATOM 170 O LYS A 22 -4.309 15.320 -9.563 1.00 0.00 ATOM 171 C LYS A 22 -4.801 14.316 -9.032 1.00 0.00 ATOM 172 N SER A 23 -4.398 13.088 -9.316 1.00 0.00 ATOM 173 CA SER A 23 -3.235 12.899 -10.184 1.00 0.00 ATOM 174 CB SER A 23 -1.940 13.028 -9.380 1.00 0.00 ATOM 175 OG SER A 23 -0.805 12.958 -10.226 1.00 0.00 ATOM 176 O SER A 23 -2.413 10.686 -10.446 1.00 0.00 ATOM 177 C SER A 23 -3.212 11.534 -10.856 1.00 0.00 ATOM 178 N LYS A 24 -3.779 11.489 -12.056 1.00 0.00 ATOM 179 CA LYS A 24 -3.986 10.246 -12.840 1.00 0.00 ATOM 180 CB LYS A 24 -2.794 9.991 -13.764 1.00 0.00 ATOM 181 CG LYS A 24 -2.641 11.014 -14.878 1.00 0.00 ATOM 182 CD LYS A 24 -1.454 10.688 -15.769 1.00 0.00 ATOM 183 CE LYS A 24 -1.291 11.722 -16.872 1.00 0.00 ATOM 184 NZ LYS A 24 -0.125 11.420 -17.747 1.00 0.00 ATOM 185 O LYS A 24 -5.158 8.856 -11.268 1.00 0.00 ATOM 186 C LYS A 24 -4.150 8.990 -11.966 1.00 0.00 ATOM 187 N ASP A 25 -3.170 8.099 -11.960 1.00 0.00 ATOM 188 CA ASP A 25 -3.257 6.864 -11.163 1.00 0.00 ATOM 189 CB ASP A 25 -2.425 5.752 -11.805 1.00 0.00 ATOM 190 CG ASP A 25 -0.950 6.093 -11.872 1.00 0.00 ATOM 191 OD1 ASP A 25 -0.596 7.258 -11.594 1.00 0.00 ATOM 192 OD2 ASP A 25 -0.147 5.195 -12.203 1.00 0.00 ATOM 193 O ASP A 25 -2.132 6.075 -9.199 1.00 0.00 ATOM 194 C ASP A 25 -2.751 7.007 -9.720 1.00 0.00 ATOM 195 N GLU A 26 -2.921 8.176 -9.122 1.00 0.00 ATOM 196 CA GLU A 26 -2.514 8.398 -7.729 1.00 0.00 ATOM 197 CB GLU A 26 -1.377 9.419 -7.659 1.00 0.00 ATOM 198 CG GLU A 26 -0.062 8.924 -8.240 1.00 0.00 ATOM 199 CD GLU A 26 1.058 9.935 -8.090 1.00 0.00 ATOM 200 OE1 GLU A 26 0.820 11.000 -7.482 1.00 0.00 ATOM 201 OE2 GLU A 26 2.174 9.663 -8.581 1.00 0.00 ATOM 202 O GLU A 26 -4.108 10.073 -7.000 1.00 0.00 ATOM 203 C GLU A 26 -3.653 8.927 -6.861 1.00 0.00 ATOM 204 N LEU A 27 -3.996 8.124 -5.872 1.00 0.00 ATOM 205 CA LEU A 27 -4.981 8.539 -4.872 1.00 0.00 ATOM 206 CB LEU A 27 -5.743 7.326 -4.335 1.00 0.00 ATOM 207 CG LEU A 27 -6.802 7.609 -3.268 1.00 0.00 ATOM 208 CD1 LEU A 27 -7.949 8.420 -3.851 1.00 0.00 ATOM 209 CD2 LEU A 27 -7.370 6.310 -2.716 1.00 0.00 ATOM 210 O LEU A 27 -3.287 8.774 -3.159 1.00 0.00 ATOM 211 C LEU A 27 -4.302 9.236 -3.695 1.00 0.00 ATOM 212 N ILE A 28 -4.834 10.405 -3.393 1.00 0.00 ATOM 213 CA ILE A 28 -4.342 11.265 -2.323 1.00 0.00 ATOM 214 CB ILE A 28 -4.324 12.744 -2.751 1.00 0.00 ATOM 215 CG1 ILE A 28 -3.461 12.928 -4.001 1.00 0.00 ATOM 216 CG2 ILE A 28 -3.755 13.613 -1.640 1.00 0.00 ATOM 217 CD1 ILE A 28 -2.018 12.513 -3.812 1.00 0.00 ATOM 218 O ILE A 28 -6.427 10.865 -1.179 1.00 0.00 ATOM 219 C ILE A 28 -5.228 11.151 -1.079 1.00 0.00 ATOM 220 N CYS A 29 -4.575 11.112 0.068 1.00 0.00 ATOM 221 CA CYS A 29 -5.279 11.176 1.353 1.00 0.00 ATOM 222 CB CYS A 29 -4.352 10.752 2.494 1.00 0.00 ATOM 223 SG CYS A 29 -3.839 9.020 2.435 1.00 0.00 ATOM 224 O CYS A 29 -4.992 13.529 1.542 1.00 0.00 ATOM 225 C CYS A 29 -5.771 12.578 1.651 1.00 0.00 ATOM 226 N LYS A 30 -6.947 12.670 2.249 1.00 0.00 ATOM 227 CA LYS A 30 -7.497 13.983 2.624 1.00 0.00 ATOM 228 CB LYS A 30 -9.002 13.880 2.881 1.00 0.00 ATOM 229 CG LYS A 30 -9.821 13.541 1.646 1.00 0.00 ATOM 230 CD LYS A 30 -11.302 13.447 1.975 1.00 0.00 ATOM 231 CE LYS A 30 -12.121 13.115 0.739 1.00 0.00 ATOM 232 NZ LYS A 30 -13.571 12.982 1.053 1.00 0.00 ATOM 233 O LYS A 30 -7.163 15.752 4.215 1.00 0.00 ATOM 234 C LYS A 30 -6.881 14.592 3.896 1.00 0.00 ATOM 235 N GLY A 31 -6.017 13.854 4.578 1.00 0.00 ATOM 236 CA GLY A 31 -5.315 14.395 5.751 1.00 0.00 ATOM 237 O GLY A 31 -4.389 16.561 5.226 1.00 0.00 ATOM 238 C GLY A 31 -4.186 15.350 5.353 1.00 0.00 ATOM 239 N ASP A 32 -3.007 14.785 5.133 1.00 0.00 ATOM 240 CA ASP A 32 -1.810 15.574 4.771 1.00 0.00 ATOM 241 CB ASP A 32 -0.559 14.978 5.420 1.00 0.00 ATOM 242 CG ASP A 32 -0.276 13.565 4.950 1.00 0.00 ATOM 243 OD1 ASP A 32 -1.077 13.032 4.154 1.00 0.00 ATOM 244 OD2 ASP A 32 0.748 12.991 5.378 1.00 0.00 ATOM 245 O ASP A 32 -0.496 16.076 2.811 1.00 0.00 ATOM 246 C ASP A 32 -1.556 15.619 3.263 1.00 0.00 ATOM 247 N ARG A 33 -2.532 15.137 2.509 1.00 0.00 ATOM 248 CA ARG A 33 -2.464 15.040 1.048 1.00 0.00 ATOM 249 CB ARG A 33 -2.333 16.431 0.424 1.00 0.00 ATOM 250 CG ARG A 33 -3.534 17.333 0.660 1.00 0.00 ATOM 251 CD ARG A 33 -3.402 18.639 -0.106 1.00 0.00 ATOM 252 NE ARG A 33 -2.272 19.437 0.363 1.00 0.00 ATOM 253 CZ ARG A 33 -2.293 20.192 1.457 1.00 0.00 ATOM 254 NH1 ARG A 33 -1.217 20.884 1.807 1.00 0.00 ATOM 255 NH2 ARG A 33 -3.391 20.253 2.199 1.00 0.00 ATOM 256 O ARG A 33 -0.327 14.729 -0.026 1.00 0.00 ATOM 257 C ARG A 33 -1.274 14.214 0.579 1.00 0.00 ATOM 258 N LEU A 34 -1.328 12.935 0.912 1.00 0.00 ATOM 259 CA LEU A 34 -0.264 11.989 0.548 1.00 0.00 ATOM 260 CB LEU A 34 0.082 11.089 1.736 1.00 0.00 ATOM 261 CG LEU A 34 1.144 10.016 1.487 1.00 0.00 ATOM 262 CD1 LEU A 34 2.492 10.654 1.187 1.00 0.00 ATOM 263 CD2 LEU A 34 1.302 9.122 2.707 1.00 0.00 ATOM 264 O LEU A 34 -1.784 10.470 -0.519 1.00 0.00 ATOM 265 C LEU A 34 -0.732 11.114 -0.617 1.00 0.00 ATOM 266 N ALA A 35 0.003 11.162 -1.720 1.00 0.00 ATOM 267 CA ALA A 35 -0.415 10.499 -2.965 1.00 0.00 ATOM 268 CB ALA A 35 -0.206 11.424 -4.154 1.00 0.00 ATOM 269 O ALA A 35 1.569 9.151 -3.377 1.00 0.00 ATOM 270 C ALA A 35 0.330 9.209 -3.302 1.00 0.00 ATOM 271 N PHE A 36 -0.481 8.211 -3.618 1.00 0.00 ATOM 272 CA PHE A 36 0.004 6.860 -3.940 1.00 0.00 ATOM 273 CB PHE A 36 -0.547 5.841 -2.941 1.00 0.00 ATOM 274 CG PHE A 36 -0.072 6.054 -1.532 1.00 0.00 ATOM 275 CD1 PHE A 36 -0.792 6.848 -0.657 1.00 0.00 ATOM 276 CD2 PHE A 36 1.095 5.461 -1.083 1.00 0.00 ATOM 277 CE1 PHE A 36 -0.355 7.045 0.640 1.00 0.00 ATOM 278 CE2 PHE A 36 1.532 5.658 0.214 1.00 0.00 ATOM 279 CZ PHE A 36 0.812 6.446 1.073 1.00 0.00 ATOM 280 O PHE A 36 -1.611 6.366 -5.654 1.00 0.00 ATOM 281 C PHE A 36 -0.417 6.409 -5.331 1.00 0.00 ATOM 282 N PRO A 37 0.570 6.045 -6.131 1.00 0.00 ATOM 283 CA PRO A 37 0.321 5.467 -7.451 1.00 0.00 ATOM 284 CB PRO A 37 1.672 5.572 -8.162 1.00 0.00 ATOM 285 CG PRO A 37 2.679 5.496 -7.063 1.00 0.00 ATOM 286 CD PRO A 37 2.057 6.183 -5.880 1.00 0.00 ATOM 287 O PRO A 37 0.745 3.170 -7.201 1.00 0.00 ATOM 288 C PRO A 37 -0.133 4.029 -7.303 1.00 0.00 ATOM 289 N ILE A 38 -1.376 3.781 -7.684 1.00 0.00 ATOM 290 CA ILE A 38 -2.137 2.540 -7.408 1.00 0.00 ATOM 291 CB ILE A 38 -3.221 2.294 -8.474 1.00 0.00 ATOM 292 CG1 ILE A 38 -4.291 3.386 -8.409 1.00 0.00 ATOM 293 CG2 ILE A 38 -3.893 0.948 -8.249 1.00 0.00 ATOM 294 CD1 ILE A 38 -5.249 3.373 -9.579 1.00 0.00 ATOM 295 O ILE A 38 -1.232 0.609 -6.303 1.00 0.00 ATOM 296 C ILE A 38 -1.343 1.227 -7.365 1.00 0.00 ATOM 297 N LYS A 39 -0.663 0.887 -8.447 1.00 0.00 ATOM 298 CA LYS A 39 0.024 -0.416 -8.537 1.00 0.00 ATOM 299 CB LYS A 39 0.488 -0.679 -9.971 1.00 0.00 ATOM 300 CG LYS A 39 -0.643 -0.953 -10.949 1.00 0.00 ATOM 301 CD LYS A 39 -0.113 -1.201 -12.352 1.00 0.00 ATOM 302 CE LYS A 39 -1.244 -1.475 -13.329 1.00 0.00 ATOM 303 NZ LYS A 39 -0.741 -1.691 -14.714 1.00 0.00 ATOM 304 O LYS A 39 1.477 -1.566 -7.005 1.00 0.00 ATOM 305 C LYS A 39 1.264 -0.530 -7.651 1.00 0.00 ATOM 306 N ASP A 40 1.973 0.576 -7.509 1.00 0.00 ATOM 307 CA ASP A 40 3.242 0.595 -6.787 1.00 0.00 ATOM 308 CB ASP A 40 4.206 1.598 -7.424 1.00 0.00 ATOM 309 CG ASP A 40 4.589 1.219 -8.841 1.00 0.00 ATOM 310 OD1 ASP A 40 5.109 0.100 -9.037 1.00 0.00 ATOM 311 OD2 ASP A 40 4.369 2.040 -9.756 1.00 0.00 ATOM 312 O ASP A 40 3.655 0.432 -4.419 1.00 0.00 ATOM 313 C ASP A 40 3.031 0.994 -5.331 1.00 0.00 ATOM 314 N GLY A 41 2.202 2.007 -5.145 1.00 0.00 ATOM 315 CA GLY A 41 1.753 2.462 -3.829 1.00 0.00 ATOM 316 O GLY A 41 2.147 4.391 -2.489 1.00 0.00 ATOM 317 C GLY A 41 2.653 3.439 -3.092 1.00 0.00 ATOM 318 N ILE A 42 3.948 3.163 -3.081 1.00 0.00 ATOM 319 CA ILE A 42 4.936 4.007 -2.393 1.00 0.00 ATOM 320 CB ILE A 42 6.372 3.672 -2.838 1.00 0.00 ATOM 321 CG1 ILE A 42 6.757 2.264 -2.382 1.00 0.00 ATOM 322 CG2 ILE A 42 7.360 4.661 -2.237 1.00 0.00 ATOM 323 CD1 ILE A 42 8.099 1.799 -2.904 1.00 0.00 ATOM 324 O ILE A 42 4.363 5.884 -3.783 1.00 0.00 ATOM 325 C ILE A 42 4.721 5.493 -2.667 1.00 0.00 ATOM 326 N PRO A 43 4.815 6.285 -1.610 1.00 0.00 ATOM 327 CA PRO A 43 4.485 7.710 -1.691 1.00 0.00 ATOM 328 CB PRO A 43 4.647 8.210 -0.254 1.00 0.00 ATOM 329 CG PRO A 43 4.447 6.995 0.589 1.00 0.00 ATOM 330 CD PRO A 43 5.054 5.852 -0.176 1.00 0.00 ATOM 331 O PRO A 43 6.641 8.472 -2.428 1.00 0.00 ATOM 332 C PRO A 43 5.423 8.438 -2.641 1.00 0.00 ATOM 333 N MET A 44 4.849 8.990 -3.697 1.00 0.00 ATOM 334 CA MET A 44 5.668 9.692 -4.690 1.00 0.00 ATOM 335 CB MET A 44 5.181 9.377 -6.106 1.00 0.00 ATOM 336 CG MET A 44 5.270 7.907 -6.480 1.00 0.00 ATOM 337 SD MET A 44 6.949 7.261 -6.369 1.00 0.00 ATOM 338 CE MET A 44 7.740 8.142 -7.714 1.00 0.00 ATOM 339 O MET A 44 6.554 11.925 -4.728 1.00 0.00 ATOM 340 C MET A 44 5.590 11.192 -4.479 1.00 0.00 ATOM 341 N MET A 45 4.453 11.631 -3.972 1.00 0.00 ATOM 342 CA MET A 45 4.320 13.040 -3.604 1.00 0.00 ATOM 343 CB MET A 45 3.686 13.835 -4.747 1.00 0.00 ATOM 344 CG MET A 45 2.251 13.440 -5.057 1.00 0.00 ATOM 345 SD MET A 45 1.587 14.303 -6.494 1.00 0.00 ATOM 346 CE MET A 45 2.402 13.423 -7.824 1.00 0.00 ATOM 347 O MET A 45 2.531 12.432 -2.093 1.00 0.00 ATOM 348 C MET A 45 3.445 13.217 -2.372 1.00 0.00 ATOM 349 N LEU A 46 3.819 14.213 -1.597 1.00 0.00 ATOM 350 CA LEU A 46 3.099 14.579 -0.379 1.00 0.00 ATOM 351 CB LEU A 46 3.862 14.101 0.858 1.00 0.00 ATOM 352 CG LEU A 46 3.247 14.458 2.213 1.00 0.00 ATOM 353 CD1 LEU A 46 1.890 13.790 2.380 1.00 0.00 ATOM 354 CD2 LEU A 46 4.146 13.997 3.350 1.00 0.00 ATOM 355 O LEU A 46 4.005 16.786 -0.317 1.00 0.00 ATOM 356 C LEU A 46 2.987 16.092 -0.380 1.00 0.00 ATOM 357 N GLU A 47 1.770 16.606 -0.388 1.00 0.00 ATOM 358 CA GLU A 47 1.587 18.048 -0.555 1.00 0.00 ATOM 359 CB GLU A 47 0.163 18.357 -1.022 1.00 0.00 ATOM 360 CG GLU A 47 -0.161 17.833 -2.412 1.00 0.00 ATOM 361 CD GLU A 47 0.706 18.457 -3.487 1.00 0.00 ATOM 362 OE1 GLU A 47 0.741 19.703 -3.573 1.00 0.00 ATOM 363 OE2 GLU A 47 1.349 17.701 -4.245 1.00 0.00 ATOM 364 O GLU A 47 2.181 20.017 0.658 1.00 0.00 ATOM 365 C GLU A 47 1.816 18.837 0.736 1.00 0.00 ATOM 366 N SER A 48 1.880 18.137 1.861 1.00 0.00 ATOM 367 CA SER A 48 2.381 18.753 3.103 1.00 0.00 ATOM 368 CB SER A 48 1.984 17.910 4.317 1.00 0.00 ATOM 369 OG SER A 48 2.638 16.653 4.301 1.00 0.00 ATOM 370 O SER A 48 4.459 19.652 3.904 1.00 0.00 ATOM 371 C SER A 48 3.907 18.883 3.111 1.00 0.00 ATOM 372 N GLU A 49 4.576 18.166 2.220 1.00 0.00 ATOM 373 CA GLU A 49 6.029 18.269 2.075 1.00 0.00 ATOM 374 CB GLU A 49 6.656 16.878 1.960 1.00 0.00 ATOM 375 CG GLU A 49 6.402 15.981 3.160 1.00 0.00 ATOM 376 CD GLU A 49 6.875 16.601 4.461 1.00 0.00 ATOM 377 OE1 GLU A 49 8.046 17.029 4.523 1.00 0.00 ATOM 378 OE2 GLU A 49 6.073 16.658 5.417 1.00 0.00 ATOM 379 O GLU A 49 7.579 19.427 0.662 1.00 0.00 ATOM 380 C GLU A 49 6.414 19.059 0.831 1.00 0.00 ATOM 381 N ALA A 50 5.433 19.352 -0.006 1.00 0.00 ATOM 382 CA ALA A 50 5.691 20.085 -1.248 1.00 0.00 ATOM 383 CB ALA A 50 4.516 19.941 -2.203 1.00 0.00 ATOM 384 O ALA A 50 6.639 22.242 -1.708 1.00 0.00 ATOM 385 C ALA A 50 5.902 21.567 -0.975 1.00 0.00 ATOM 386 N ARG A 51 5.348 22.032 0.132 1.00 0.00 ATOM 387 CA ARG A 51 5.672 23.369 0.633 1.00 0.00 ATOM 388 CB ARG A 51 4.611 23.840 1.630 1.00 0.00 ATOM 389 CG ARG A 51 4.787 25.277 2.091 1.00 0.00 ATOM 390 CD ARG A 51 3.741 25.656 3.127 1.00 0.00 ATOM 391 NE ARG A 51 2.396 25.693 2.558 1.00 0.00 ATOM 392 CZ ARG A 51 1.882 26.741 1.922 1.00 0.00 ATOM 393 NH1 ARG A 51 0.649 26.683 1.437 1.00 0.00 ATOM 394 NH2 ARG A 51 2.602 27.844 1.772 1.00 0.00 ATOM 395 O ARG A 51 7.141 23.022 2.525 1.00 0.00 ATOM 396 C ARG A 51 7.032 23.363 1.341 1.00 0.00 ATOM 397 N GLU A 52 8.048 23.745 0.583 1.00 0.00 ATOM 398 CA GLU A 52 9.438 23.813 1.060 1.00 0.00 ATOM 399 CB GLU A 52 9.539 24.720 2.288 1.00 0.00 ATOM 400 CG GLU A 52 9.165 26.169 2.023 1.00 0.00 ATOM 401 CD GLU A 52 9.249 27.030 3.268 1.00 0.00 ATOM 402 OE1 GLU A 52 9.639 26.501 4.330 1.00 0.00 ATOM 403 OE2 GLU A 52 8.926 28.233 3.181 1.00 0.00 ATOM 404 O GLU A 52 10.188 22.120 2.624 1.00 0.00 ATOM 405 C GLU A 52 9.950 22.422 1.447 1.00 0.00 ATOM 406 N LEU A 53 10.099 21.593 0.424 1.00 0.00 ATOM 407 CA LEU A 53 10.591 20.215 0.572 1.00 0.00 ATOM 408 CB LEU A 53 10.381 19.429 -0.724 1.00 0.00 ATOM 409 CG LEU A 53 10.765 17.948 -0.688 1.00 0.00 ATOM 410 CD1 LEU A 53 9.863 17.182 0.266 1.00 0.00 ATOM 411 CD2 LEU A 53 10.634 17.326 -2.070 1.00 0.00 ATOM 412 O LEU A 53 12.909 20.829 0.263 1.00 0.00 ATOM 413 C LEU A 53 12.084 20.168 0.904 1.00 0.00 ATOM 414 N ALA A 54 12.403 19.390 1.926 1.00 0.00 ATOM 415 CA ALA A 54 13.795 19.182 2.347 1.00 0.00 ATOM 416 CB ALA A 54 13.993 19.660 3.777 1.00 0.00 ATOM 417 O ALA A 54 13.294 16.835 2.435 1.00 0.00 ATOM 418 C ALA A 54 14.168 17.698 2.279 1.00 0.00 ATOM 419 N PRO A 55 15.455 17.398 2.153 1.00 0.00 ATOM 420 CA PRO A 55 15.900 15.998 2.046 1.00 0.00 ATOM 421 CB PRO A 55 17.407 16.106 1.805 1.00 0.00 ATOM 422 CG PRO A 55 17.588 17.441 1.163 1.00 0.00 ATOM 423 CD PRO A 55 16.592 18.356 1.817 1.00 0.00 ATOM 424 O PRO A 55 15.076 14.062 3.168 1.00 0.00 ATOM 425 C PRO A 55 15.620 15.166 3.303 1.00 0.00 ATOM 426 N GLU A 56 15.656 15.795 4.470 1.00 0.00 ATOM 427 CA GLU A 56 15.330 15.082 5.713 1.00 0.00 ATOM 428 CB GLU A 56 15.822 15.871 6.928 1.00 0.00 ATOM 429 CG GLU A 56 17.335 15.984 7.024 1.00 0.00 ATOM 430 CD GLU A 56 17.784 16.789 8.227 1.00 0.00 ATOM 431 OE1 GLU A 56 16.913 17.218 9.013 1.00 0.00 ATOM 432 OE2 GLU A 56 19.006 16.992 8.383 1.00 0.00 ATOM 433 O GLU A 56 13.426 13.862 6.483 1.00 0.00 ATOM 434 C GLU A 56 13.829 14.866 5.888 1.00 0.00 ATOM 435 N GLU A 57 13.036 15.602 5.129 1.00 0.00 ATOM 436 CA GLU A 57 11.594 15.442 5.210 1.00 0.00 ATOM 437 CB GLU A 57 10.887 16.720 4.755 1.00 0.00 ATOM 438 CG GLU A 57 11.105 17.911 5.674 1.00 0.00 ATOM 439 CD GLU A 57 10.448 19.175 5.155 1.00 0.00 ATOM 440 OE1 GLU A 57 9.833 19.122 4.069 1.00 0.00 ATOM 441 OE2 GLU A 57 10.549 20.219 5.834 1.00 0.00 ATOM 442 O GLU A 57 10.333 13.472 4.747 1.00 0.00 ATOM 443 C GLU A 57 11.153 14.290 4.314 1.00 0.00 ATOM 444 N GLU A 58 11.892 14.048 3.241 1.00 0.00 ATOM 445 CA GLU A 58 11.516 12.930 2.376 1.00 0.00 ATOM 446 CB GLU A 58 12.067 13.137 0.964 1.00 0.00 ATOM 447 CG GLU A 58 11.480 14.337 0.238 1.00 0.00 ATOM 448 CD GLU A 58 11.998 14.471 -1.180 1.00 0.00 ATOM 449 OE1 GLU A 58 13.234 14.504 -1.361 1.00 0.00 ATOM 450 OE2 GLU A 58 11.169 14.542 -2.111 1.00 0.00 ATOM 451 O GLU A 58 11.378 10.585 2.760 1.00 0.00 ATOM 452 C GLU A 58 12.062 11.603 2.902 1.00 0.00 ATOM 453 N VAL A 59 13.094 11.643 3.733 1.00 0.00 ATOM 454 CA VAL A 59 13.539 10.383 4.334 1.00 0.00 ATOM 455 CB VAL A 59 15.038 10.424 4.687 1.00 0.00 ATOM 456 CG1 VAL A 59 15.869 10.714 3.446 1.00 0.00 ATOM 457 CG2 VAL A 59 15.313 11.511 5.714 1.00 0.00 ATOM 458 O VAL A 59 12.544 8.927 5.953 1.00 0.00 ATOM 459 C VAL A 59 12.760 10.100 5.620 1.00 0.00 ATOM 460 N LYS A 60 12.095 11.126 6.134 1.00 0.00 ATOM 461 CA LYS A 60 11.234 10.962 7.304 1.00 0.00 ATOM 462 CB LYS A 60 11.031 12.303 8.012 1.00 0.00 ATOM 463 CG LYS A 60 10.220 12.211 9.295 1.00 0.00 ATOM 464 CD LYS A 60 10.167 13.551 10.011 1.00 0.00 ATOM 465 CE LYS A 60 9.338 13.464 11.282 1.00 0.00 ATOM 466 NZ LYS A 60 9.293 14.765 12.005 1.00 0.00 ATOM 467 O LYS A 60 9.332 9.528 7.528 1.00 0.00 ATOM 468 C LYS A 60 9.876 10.423 6.868 1.00 0.00 ATOM 469 N LEU A 61 9.471 10.760 5.652 1.00 0.00 ATOM 470 CA LEU A 61 8.206 10.233 5.131 1.00 0.00 ATOM 471 CB LEU A 61 7.650 11.153 4.042 1.00 0.00 ATOM 472 CG LEU A 61 7.260 12.566 4.482 1.00 0.00 ATOM 473 CD1 LEU A 61 6.828 13.401 3.287 1.00 0.00 ATOM 474 CD2 LEU A 61 6.107 12.521 5.473 1.00 0.00 ATOM 475 O LEU A 61 7.354 8.146 4.344 1.00 0.00 ATOM 476 C LEU A 61 8.361 8.844 4.519 1.00 0.00 ATOM 477 N GLU A 62 9.586 8.353 4.404 1.00 0.00 ATOM 478 CA GLU A 62 9.786 7.047 3.782 1.00 0.00 ATOM 479 CB GLU A 62 11.242 6.881 3.341 1.00 0.00 ATOM 480 CG GLU A 62 11.658 7.809 2.212 1.00 0.00 ATOM 481 CD GLU A 62 13.123 7.666 1.850 1.00 0.00 ATOM 482 OE1 GLU A 62 13.819 6.857 2.499 1.00 0.00 ATOM 483 OE2 GLU A 62 13.576 8.362 0.917 1.00 0.00 ATOM 484 O GLU A 62 9.031 4.849 4.316 1.00 0.00 ATOM 485 C GLU A 62 9.450 5.923 4.763 1.00 0.00 ATOM 486 N HIS A 63 9.343 6.256 6.043 1.00 0.00 ATOM 487 CA HIS A 63 8.961 5.254 7.032 1.00 0.00 ATOM 488 CB HIS A 63 9.448 5.662 8.424 1.00 0.00 ATOM 489 CG HIS A 63 10.937 5.649 8.571 1.00 0.00 ATOM 490 CD2 HIS A 63 11.978 6.661 8.688 1.00 0.00 ATOM 491 ND1 HIS A 63 11.670 4.483 8.627 1.00 0.00 ATOM 492 CE1 HIS A 63 12.972 4.791 8.760 1.00 0.00 ATOM 493 NE2 HIS A 63 13.164 6.095 8.798 1.00 0.00 ATOM 494 O HIS A 63 7.046 4.002 7.601 1.00 0.00 ATOM 495 C HIS A 63 7.447 5.063 7.115 1.00 0.00 ATOM 496 N HIS A 64 6.658 5.886 6.430 1.00 0.00 ATOM 497 CA HIS A 64 5.192 5.803 6.541 1.00 0.00 ATOM 498 CB HIS A 64 4.535 7.016 5.880 1.00 0.00 ATOM 499 CG HIS A 64 4.749 8.299 6.623 1.00 0.00 ATOM 500 CD2 HIS A 64 5.435 9.554 6.351 1.00 0.00 ATOM 501 ND1 HIS A 64 4.245 8.520 7.886 1.00 0.00 ATOM 502 CE1 HIS A 64 4.599 9.754 8.288 1.00 0.00 ATOM 503 NE2 HIS A 64 5.314 10.379 7.373 1.00 0.00 ATOM 504 O HIS A 64 3.685 3.948 6.379 1.00 0.00 ATOM 505 C HIS A 64 4.630 4.556 5.869 1.00 0.00 ATOM 506 N HIS A 65 5.342 4.063 4.869 1.00 0.00 ATOM 507 CA HIS A 65 4.937 2.839 4.172 1.00 0.00 ATOM 508 CB HIS A 65 5.687 2.704 2.845 1.00 0.00 ATOM 509 CG HIS A 65 7.174 2.617 2.999 1.00 0.00 ATOM 510 CD2 HIS A 65 8.287 3.548 2.880 1.00 0.00 ATOM 511 ND1 HIS A 65 7.821 1.446 3.330 1.00 0.00 ATOM 512 CE1 HIS A 65 9.144 1.679 3.394 1.00 0.00 ATOM 513 NE2 HIS A 65 9.430 2.938 3.125 1.00 0.00 ATOM 514 O HIS A 65 4.538 0.563 4.845 1.00 0.00 ATOM 515 C HIS A 65 5.227 1.579 4.996 1.00 0.00 ATOM 516 N HIS A 66 6.116 1.697 5.964 1.00 0.00 ATOM 517 CA HIS A 66 6.451 0.560 6.817 1.00 0.00 ATOM 518 CB HIS A 66 7.937 0.583 7.182 1.00 0.00 ATOM 519 CG HIS A 66 8.373 -0.583 8.013 1.00 0.00 ATOM 520 CD2 HIS A 66 8.727 -0.788 9.410 1.00 0.00 ATOM 521 ND1 HIS A 66 8.532 -1.849 7.493 1.00 0.00 ATOM 522 CE1 HIS A 66 8.929 -2.679 8.475 1.00 0.00 ATOM 523 NE2 HIS A 66 9.048 -2.049 9.627 1.00 0.00 ATOM 524 O HIS A 66 4.719 -0.151 8.349 1.00 0.00 ATOM 525 C HIS A 66 5.605 0.667 8.079 1.00 0.00 ATOM 526 N HIS A 67 5.850 1.753 8.787 1.00 0.00 ATOM 527 CA HIS A 67 5.091 2.112 9.983 1.00 0.00 ATOM 528 CB HIS A 67 6.031 2.594 11.090 1.00 0.00 ATOM 529 CG HIS A 67 5.350 2.824 12.403 1.00 0.00 ATOM 530 CD2 HIS A 67 4.023 2.568 12.943 1.00 0.00 ATOM 531 ND1 HIS A 67 5.984 3.411 13.477 1.00 0.00 ATOM 532 CE1 HIS A 67 5.123 3.482 14.508 1.00 0.00 ATOM 533 NE2 HIS A 67 3.945 2.978 14.195 1.00 0.00 ATOM 534 O HIS A 67 4.472 4.405 9.537 1.00 0.00 ATOM 535 C HIS A 67 4.121 3.219 9.640 1.00 0.00 ATOM 536 N HIS A 68 2.872 2.795 9.543 1.00 0.00 ATOM 537 CA HIS A 68 1.759 3.669 9.177 1.00 0.00 ATOM 538 CB HIS A 68 0.517 2.842 8.837 1.00 0.00 ATOM 539 CG HIS A 68 0.696 1.943 7.654 1.00 0.00 ATOM 540 CD2 HIS A 68 0.745 0.503 7.441 1.00 0.00 ATOM 541 ND1 HIS A 68 0.869 2.423 6.374 1.00 0.00 ATOM 542 CE1 HIS A 68 1.001 1.383 5.531 1.00 0.00 ATOM 543 NE2 HIS A 68 0.928 0.229 6.164 1.00 0.00 ATOM 544 O HIS A 68 2.138 4.859 11.204 1.00 0.00 ATOM 545 C HIS A 68 1.354 4.640 10.287 1.00 0.00 ENDMDL