Browse entries in the PDBbind-CN Database
HEADER 6E6V_COMPLEX COMPND 6E6V_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 54 MET ALA MET GLU ASP PHE VAL ARG GLN CYS PHE ASN PRO SEQRES 2 A 54 MET ILE VAL GLU LEU ALA GLU LYS ALA MET LYS GLU TYR SEQRES 3 A 54 GLY GLU ASP PRO LYS ILE GLU THR ASN LYS PHE ALA ALA SEQRES 4 A 54 ILE CYS THR HIS LEU GLU VAL CYS PHE MET TYR SER ASP SEQRES 5 A 54 PHE GLY SEQRES 1 A 125 HIS ARG PHE GLU ILE ILE GLU GLY ARG ASP ARG ILE MET SEQRES 2 A 125 ALA TRP THR VAL VAL ASN SER ILE CYS ASN THR THR GLY SEQRES 3 A 125 VAL GLU LYS PRO LYS PHE LEU PRO ASP LEU TYR ASP TYR SEQRES 4 A 125 LYS GLU ASN ARG PHE ILE GLU ILE GLY VAL THR ARG ARG SEQRES 5 A 125 GLU VAL HIS ILE TYR TYR LEU GLU LYS ALA ASN LYS ILE SEQRES 6 A 125 LYS SER GLU LYS THR HIS ILE HIS ILE PHE SER PHE THR SEQRES 7 A 125 GLY GLU GLU MET ALA THR LYS ALA ASP TYR THR LEU ASP SEQRES 8 A 125 GLU GLU SER ARG ALA ARG ILE LYS THR ARG LEU PHE THR SEQRES 9 A 125 ILE ARG GLN GLU MET ALA SER ARG SER LEU TRP ASP SER SEQRES 10 A 125 PHE ARG GLN SER GLU ARG GLY GLU HET MN A 1 1 HET MN A 2 1 HET HWA A 195 18 ATOM 1 N MET A -1 -40.927 8.363 25.132 1.00 75.07 N ATOM 2 CA MET A -1 -40.727 9.361 24.030 1.00 74.53 C ATOM 3 C MET A -1 -40.772 8.627 22.682 1.00 67.14 C ATOM 4 O MET A -1 -40.021 7.676 22.459 1.00 64.97 O ATOM 5 CB MET A -1 -39.395 10.111 24.179 1.00 73.80 C ATOM 6 CG MET A -1 -39.173 11.199 23.139 1.00 79.39 C ATOM 7 SD MET A -1 -40.160 12.737 23.321 1.00 94.18 S ATOM 8 CE MET A -1 -41.682 12.330 22.462 1.00 85.81 C ATOM 9 HN3 MET A -1 -40.171 7.650 25.093 1.00 0.00 H ATOM 10 HN2 MET A -1 -41.850 7.898 25.014 1.00 0.00 H ATOM 11 HN1 MET A -1 -40.898 8.851 26.050 1.00 0.00 H ATOM 12 N ALA A 0 -41.704 9.056 21.819 1.00 66.09 N ATOM 13 CA ALA A 0 -41.767 8.679 20.403 1.00 58.74 C ATOM 14 C ALA A 0 -40.388 8.868 19.760 1.00 57.68 C ATOM 15 O ALA A 0 -39.915 7.992 19.030 1.00 61.68 O ATOM 16 CB ALA A 0 -42.825 9.497 19.703 1.00 54.68 C ATOM 17 H ALA A 0 -42.435 9.702 22.179 1.00 0.00 H ATOM 18 N MET A 1 -39.736 9.998 20.066 1.00 57.03 N ATOM 19 CA MET A 1 -38.453 10.372 19.441 1.00 56.63 C ATOM 20 C MET A 1 -37.415 9.269 19.667 1.00 52.76 C ATOM 21 O MET A 1 -36.731 8.822 18.735 1.00 53.98 O ATOM 22 CB MET A 1 -37.926 11.720 19.958 1.00 57.10 C ATOM 23 CG MET A 1 -36.687 12.230 19.209 1.00 54.62 C ATOM 24 SD MET A 1 -36.837 12.053 17.409 1.00 48.99 S ATOM 25 CE MET A 1 -37.280 13.717 16.924 1.00 44.33 C ATOM 26 H MET A 1 -40.151 10.638 20.773 1.00 0.00 H ATOM 27 N GLU A 2 -37.328 8.790 20.900 1.00 51.19 N ATOM 28 CA GLU A 2 -36.401 7.728 21.192 1.00 52.05 C ATOM 29 C GLU A 2 -36.729 6.496 20.334 1.00 48.04 C ATOM 30 O GLU A 2 -35.845 5.909 19.735 1.00 50.65 O ATOM 31 CB GLU A 2 -36.430 7.416 22.682 1.00 56.43 C ATOM 32 CG GLU A 2 -35.672 6.151 23.006 1.00 59.76 C ATOM 33 CD GLU A 2 -35.288 6.003 24.459 1.00 59.24 C ATOM 34 OE1 GLU A 2 -35.636 6.891 25.255 1.00 58.74 O ATOM 35 OE2 GLU A 2 -34.633 5.002 24.776 1.00 62.83 O ATOM 36 H GLU A 2 -37.928 9.180 21.654 1.00 0.00 H ATOM 37 N ASP A 3 -38.016 6.148 20.250 1.00 47.84 N ATOM 38 CA ASP A 3 -38.488 5.014 19.467 1.00 51.25 C ATOM 39 C ASP A 3 -38.195 5.230 17.979 1.00 52.50 C ATOM 40 O ASP A 3 -37.765 4.298 17.290 1.00 56.20 O ATOM 41 CB ASP A 3 -39.988 4.792 19.660 1.00 54.05 C ATOM 42 CG ASP A 3 -40.377 4.354 21.058 1.00 56.63 C ATOM 43 OD1 ASP A 3 -39.471 4.048 21.857 1.00 57.90 O ATOM 44 OD2 ASP A 3 -41.585 4.321 21.335 1.00 57.68 O ATOM 45 H ASP A 3 -38.716 6.715 20.770 1.00 0.00 H ATOM 46 N PHE A 4 -38.439 6.454 17.490 1.00 48.72 N ATOM 47 CA PHE A 4 -38.232 6.779 16.069 1.00 47.08 C ATOM 48 C PHE A 4 -36.787 6.468 15.680 1.00 39.92 C ATOM 49 O PHE A 4 -36.542 5.800 14.691 1.00 43.66 O ATOM 50 CB PHE A 4 -38.569 8.240 15.763 1.00 48.83 C ATOM 51 CG PHE A 4 -37.976 8.700 14.458 1.00 49.83 C ATOM 52 CD1 PHE A 4 -38.491 8.250 13.253 1.00 46.39 C ATOM 53 CD2 PHE A 4 -36.861 9.513 14.436 1.00 44.85 C ATOM 54 CE1 PHE A 4 -37.920 8.634 12.051 1.00 45.69 C ATOM 55 CE2 PHE A 4 -36.294 9.893 13.229 1.00 46.47 C ATOM 56 CZ PHE A 4 -36.819 9.448 12.040 1.00 43.50 C ATOM 57 H PHE A 4 -38.784 7.195 18.133 1.00 0.00 H ATOM 58 N VAL A 5 -35.858 6.910 16.529 1.00 42.50 N ATOM 59 CA VAL A 5 -34.431 6.752 16.333 1.00 40.79 C ATOM 60 C VAL A 5 -34.073 5.260 16.251 1.00 50.05 C ATOM 61 O VAL A 5 -33.330 4.822 15.371 1.00 49.85 O ATOM 62 CB VAL A 5 -33.661 7.437 17.467 1.00 42.17 C ATOM 63 CG1 VAL A 5 -32.174 7.140 17.392 1.00 47.47 C ATOM 64 CG2 VAL A 5 -33.894 8.936 17.499 1.00 44.68 C ATOM 65 H VAL A 5 -36.179 7.400 17.388 1.00 0.00 H ATOM 66 N ARG A 6 -34.601 4.472 17.187 1.00 56.16 N ATOM 67 CA ARG A 6 -34.264 3.059 17.249 1.00 55.23 C ATOM 68 C ARG A 6 -34.844 2.334 16.036 1.00 49.34 C ATOM 69 O ARG A 6 -34.366 1.302 15.674 1.00 54.17 O ATOM 70 CB ARG A 6 -34.750 2.455 18.569 1.00 57.38 C ATOM 71 CG ARG A 6 -34.098 3.103 19.780 1.00 60.41 C ATOM 72 CD ARG A 6 -33.954 2.196 20.986 1.00 65.32 C ATOM 73 NE ARG A 6 -33.692 3.056 22.131 1.00 64.37 N ATOM 74 CZ ARG A 6 -32.488 3.479 22.499 1.00 67.30 C ATOM 75 NH1 ARG A 6 -32.378 4.531 23.295 1.00 68.94 N ATOM 76 NH2 ARG A 6 -31.403 2.855 22.068 1.00 58.62 N ATOM 77 HE ARG A 6 -34.506 3.361 22.702 1.00 0.00 H ATOM 78 HH12 ARG A 6 -31.438 4.867 23.586 1.00 0.00 H ATOM 79 HH11 ARG A 6 -33.232 5.022 23.629 1.00 0.00 H ATOM 80 HH22 ARG A 6 -30.462 3.189 22.358 1.00 0.00 H ATOM 81 HH21 ARG A 6 -31.492 2.031 21.440 1.00 0.00 H ATOM 82 H ARG A 6 -35.263 4.873 17.882 1.00 0.00 H ATOM 83 N GLN A 7 -35.880 2.892 15.422 1.00 55.91 N ATOM 84 CA GLN A 7 -36.598 2.192 14.393 1.00 56.95 C ATOM 85 C GLN A 7 -36.242 2.719 13.004 1.00 57.77 C ATOM 86 O GLN A 7 -36.639 2.105 12.045 1.00 65.27 O ATOM 87 CB GLN A 7 -38.094 2.296 14.671 1.00 63.68 C ATOM 88 CG GLN A 7 -38.530 1.378 15.807 1.00 71.91 C ATOM 89 CD GLN A 7 -39.652 1.911 16.661 1.00 68.20 C ATOM 90 OE1 GLN A 7 -40.526 2.639 16.196 1.00 75.56 O ATOM 91 NE2 GLN A 7 -39.628 1.548 17.931 1.00 68.28 N ATOM 92 HE22 GLN A 7 -38.868 0.930 18.281 1.00 0.00 H ATOM 93 HE21 GLN A 7 -40.369 1.880 18.581 1.00 0.00 H ATOM 94 H GLN A 7 -36.177 3.852 15.690 1.00 0.00 H ATOM 95 N CYS A 8 -35.517 3.840 12.886 1.00 58.59 N ATOM 96 CA CYS A 8 -35.228 4.396 11.540 1.00 53.01 C ATOM 97 C CYS A 8 -33.717 4.457 11.245 1.00 51.81 C ATOM 98 O CYS A 8 -33.323 4.814 10.147 1.00 60.42 O ATOM 99 CB CYS A 8 -35.878 5.763 11.358 1.00 59.71 C ATOM 100 SG CYS A 8 -36.864 5.897 9.843 1.00 61.29 S ATOM 101 H CYS A 8 -35.157 4.320 13.736 1.00 0.00 H ATOM 102 N PHE A 9 -32.866 4.105 12.212 1.00 45.18 N ATOM 103 CA PHE A 9 -31.436 4.041 11.987 1.00 45.35 C ATOM 104 C PHE A 9 -30.935 2.634 12.327 1.00 45.20 C ATOM 105 O PHE A 9 -31.479 2.010 13.228 1.00 47.41 O ATOM 106 CB PHE A 9 -30.721 5.082 12.847 1.00 41.96 C ATOM 107 CG PHE A 9 -31.033 6.497 12.452 1.00 42.66 C ATOM 108 CD1 PHE A 9 -30.393 7.088 11.374 1.00 43.15 C ATOM 109 CD2 PHE A 9 -31.982 7.226 13.139 1.00 41.96 C ATOM 110 CE1 PHE A 9 -30.684 8.392 11.007 1.00 39.78 C ATOM 111 CE2 PHE A 9 -32.269 8.529 12.766 1.00 43.68 C ATOM 112 CZ PHE A 9 -31.625 9.104 11.702 1.00 37.97 C ATOM 113 H PHE A 9 -33.240 3.870 13.153 1.00 0.00 H ATOM 114 N ASN A 10 -29.891 2.168 11.633 1.00 45.34 N ATOM 115 CA ASN A 10 -29.391 0.828 11.863 1.00 53.64 C ATOM 116 C ASN A 10 -28.657 0.801 13.203 1.00 56.36 C ATOM 117 O ASN A 10 -28.072 1.790 13.646 1.00 51.87 O ATOM 118 CB ASN A 10 -28.564 0.275 10.701 1.00 57.92 C ATOM 119 CG ASN A 10 -27.109 0.669 10.751 1.00 65.95 C ATOM 120 OD1 ASN A 10 -26.404 0.366 11.714 1.00 67.36 O ATOM 121 ND2 ASN A 10 -26.646 1.316 9.692 1.00 72.53 N ATOM 122 HD22 ASN A 10 -27.284 1.548 8.904 1.00 0.00 H ATOM 123 HD21 ASN A 10 -25.644 1.592 9.648 1.00 0.00 H ATOM 124 H ASN A 10 -29.434 2.773 10.922 1.00 0.00 H ATOM 125 N PRO A 11 -28.705 -0.351 13.906 1.00 54.42 N ATOM 126 CA PRO A 11 -28.156 -0.459 15.257 1.00 49.04 C ATOM 127 C PRO A 11 -26.706 -0.015 15.489 1.00 43.20 C ATOM 128 O PRO A 11 -26.400 0.406 16.582 1.00 50.82 O ATOM 129 CB PRO A 11 -28.298 -1.962 15.542 1.00 52.29 C ATOM 130 CG PRO A 11 -29.529 -2.344 14.768 1.00 54.79 C ATOM 131 CD PRO A 11 -29.385 -1.584 13.469 1.00 54.78 C ATOM 132 N MET A 12 -25.808 -0.137 14.507 1.00 45.25 N ATOM 133 CA MET A 12 -24.451 0.380 14.719 1.00 50.06 C ATOM 134 C MET A 12 -24.526 1.904 14.908 1.00 44.14 C ATOM 135 O MET A 12 -23.857 2.448 15.778 1.00 45.60 O ATOM 136 CB MET A 12 -23.490 0.062 13.572 1.00 52.24 C ATOM 137 CG MET A 12 -22.046 0.328 13.950 1.00 65.21 C ATOM 138 SD MET A 12 -20.904 0.362 12.537 1.00 90.55 S ATOM 139 CE MET A 12 -19.319 0.237 13.377 1.00 81.84 C ATOM 140 H MET A 12 -26.066 -0.591 13.608 1.00 0.00 H ATOM 141 N ILE A 13 -25.373 2.578 14.123 1.00 47.93 N ATOM 142 CA ILE A 13 -25.443 4.055 14.181 1.00 49.34 C ATOM 143 C ILE A 13 -25.983 4.463 15.557 1.00 41.56 C ATOM 144 O ILE A 13 -25.333 5.186 16.287 1.00 38.57 O ATOM 145 CB ILE A 13 -26.240 4.639 12.997 1.00 48.82 C ATOM 146 CG1 ILE A 13 -25.453 4.446 11.692 1.00 46.91 C ATOM 147 CG2 ILE A 13 -26.560 6.113 13.258 1.00 50.58 C ATOM 148 CD1 ILE A 13 -26.217 4.765 10.428 1.00 47.19 C ATOM 149 H ILE A 13 -25.989 2.059 13.465 1.00 0.00 H ATOM 150 N VAL A 14 -27.115 3.880 15.934 1.00 40.65 N ATOM 151 CA VAL A 14 -27.713 4.121 17.239 1.00 46.91 C ATOM 152 C VAL A 14 -26.668 3.914 18.354 1.00 48.38 C ATOM 153 O VAL A 14 -26.525 4.751 19.250 1.00 45.50 O ATOM 154 CB VAL A 14 -28.941 3.219 17.471 1.00 46.06 C ATOM 155 CG1 VAL A 14 -29.559 3.470 18.840 1.00 46.26 C ATOM 156 CG2 VAL A 14 -29.989 3.369 16.379 1.00 45.72 C ATOM 157 H VAL A 14 -27.590 3.230 15.275 1.00 0.00 H ATOM 158 N GLU A 15 -25.977 2.770 18.325 1.00 45.75 N ATOM 159 CA GLU A 15 -25.002 2.420 19.358 1.00 48.29 C ATOM 160 C GLU A 15 -23.929 3.496 19.474 1.00 43.11 C ATOM 161 O GLU A 15 -23.574 3.936 20.569 1.00 41.80 O ATOM 162 CB GLU A 15 -24.260 1.136 19.001 1.00 54.28 C ATOM 163 CG GLU A 15 -24.882 -0.098 19.595 1.00 62.81 C ATOM 164 CD GLU A 15 -23.855 -1.111 20.066 1.00 65.74 C ATOM 165 OE1 GLU A 15 -24.168 -2.310 20.026 1.00 71.02 O ATOM 166 OE2 GLU A 15 -22.751 -0.691 20.485 1.00 69.85 O ATOM 167 H GLU A 15 -26.138 2.106 17.541 1.00 0.00 H ATOM 168 N LEU A 16 -23.363 3.842 18.319 1.00 43.52 N ATOM 169 CA LEU A 16 -22.345 4.865 18.220 1.00 44.69 C ATOM 170 C LEU A 16 -22.871 6.200 18.774 1.00 48.15 C ATOM 171 O LEU A 16 -22.207 6.822 19.633 1.00 47.84 O ATOM 172 CB LEU A 16 -21.888 4.935 16.759 1.00 44.57 C ATOM 173 CG LEU A 16 -20.944 3.795 16.351 1.00 45.72 C ATOM 174 CD1 LEU A 16 -20.758 3.712 14.846 1.00 47.48 C ATOM 175 CD2 LEU A 16 -19.588 3.943 17.021 1.00 45.93 C ATOM 176 H LEU A 16 -23.666 3.356 17.451 1.00 0.00 H ATOM 177 N ALA A 17 -24.088 6.600 18.369 1.00 49.81 N ATOM 178 CA ALA A 17 -24.687 7.846 18.874 1.00 49.68 C ATOM 179 C ALA A 17 -24.842 7.779 20.401 1.00 46.67 C ATOM 180 O ALA A 17 -24.390 8.679 21.120 1.00 42.22 O ATOM 181 CB ALA A 17 -26.004 8.119 18.190 1.00 49.92 C ATOM 182 H ALA A 17 -24.616 6.019 17.687 1.00 0.00 H ATOM 183 N GLU A 18 -25.479 6.712 20.889 1.00 48.48 N ATOM 184 CA GLU A 18 -25.681 6.519 22.331 1.00 52.74 C ATOM 185 C GLU A 18 -24.344 6.596 23.068 1.00 51.73 C ATOM 186 O GLU A 18 -24.241 7.291 24.066 1.00 58.50 O ATOM 187 CB GLU A 18 -26.353 5.186 22.653 1.00 54.42 C ATOM 188 CG GLU A 18 -27.841 5.339 22.847 1.00 61.11 C ATOM 189 CD GLU A 18 -28.640 4.068 23.065 1.00 65.09 C ATOM 190 OE1 GLU A 18 -28.289 3.036 22.462 1.00 60.58 O ATOM 191 OE2 GLU A 18 -29.647 4.136 23.805 1.00 74.35 O ATOM 192 H GLU A 18 -25.843 5.996 20.228 1.00 0.00 H ATOM 193 N LYS A 19 -23.344 5.862 22.576 1.00 54.88 N ATOM 194 CA LYS A 19 -22.058 5.777 23.242 1.00 56.54 C ATOM 195 C LYS A 19 -21.544 7.203 23.450 1.00 56.31 C ATOM 196 O LYS A 19 -21.345 7.635 24.591 1.00 58.88 O ATOM 197 CB LYS A 19 -21.101 4.890 22.439 1.00 64.78 C ATOM 198 CG LYS A 19 -19.623 5.041 22.786 1.00 75.98 C ATOM 199 CD LYS A 19 -18.718 3.959 22.198 1.00 80.86 C ATOM 200 CE LYS A 19 -18.177 2.988 23.228 1.00 82.25 C ATOM 201 NZ LYS A 19 -17.217 3.651 24.143 1.00 86.90 N ATOM 202 HZ1 LYS A 19 -16.419 4.028 23.593 1.00 0.00 H ATOM 203 HZ2 LYS A 19 -17.695 4.429 24.641 1.00 0.00 H ATOM 204 HZ3 LYS A 19 -16.866 2.959 24.835 1.00 0.00 H ATOM 205 H LYS A 19 -23.491 5.336 21.691 1.00 0.00 H ATOM 206 N ALA A 20 -21.410 7.943 22.343 1.00 53.77 N ATOM 207 CA ALA A 20 -20.906 9.311 22.341 1.00 51.39 C ATOM 208 C ALA A 20 -21.667 10.152 23.381 1.00 54.95 C ATOM 209 O ALA A 20 -21.066 10.823 24.211 1.00 53.17 O ATOM 210 CB ALA A 20 -21.023 9.895 20.949 1.00 50.59 C ATOM 211 H ALA A 20 -21.681 7.518 21.433 1.00 0.00 H ATOM 212 N MET A 21 -22.999 10.082 23.361 1.00 50.25 N ATOM 213 CA MET A 21 -23.797 10.880 24.284 1.00 52.71 C ATOM 214 C MET A 21 -23.449 10.517 25.733 1.00 54.49 C ATOM 215 O MET A 21 -23.154 11.411 26.536 1.00 53.24 O ATOM 216 CB MET A 21 -25.292 10.687 24.040 1.00 49.94 C ATOM 217 CG MET A 21 -25.757 11.410 22.810 1.00 49.41 C ATOM 218 SD MET A 21 -27.527 11.238 22.594 1.00 47.17 S ATOM 219 CE MET A 21 -28.033 12.715 23.478 1.00 47.51 C ATOM 220 H MET A 21 -23.472 9.453 22.681 1.00 0.00 H ATOM 221 N LYS A 22 -23.433 9.216 26.041 1.00 56.05 N ATOM 222 CA LYS A 22 -23.299 8.745 27.425 1.00 64.68 C ATOM 223 C LYS A 22 -21.878 8.986 27.970 1.00 65.95 C ATOM 224 O LYS A 22 -21.725 9.176 29.161 1.00 72.34 O ATOM 225 CB LYS A 22 -23.774 7.292 27.524 1.00 70.92 C ATOM 226 CG LYS A 22 -25.266 7.112 27.241 1.00 76.95 C ATOM 227 CD LYS A 22 -25.812 5.736 27.560 1.00 80.51 C ATOM 228 CE LYS A 22 -25.380 4.675 26.569 1.00 90.77 C ATOM 229 NZ LYS A 22 -25.709 3.309 27.046 1.00 94.73 N ATOM 230 HZ1 LYS A 22 -25.223 3.132 27.948 1.00 0.00 H ATOM 231 HZ2 LYS A 22 -26.737 3.229 27.183 1.00 0.00 H ATOM 232 HZ3 LYS A 22 -25.397 2.612 26.340 1.00 0.00 H ATOM 233 H LYS A 22 -23.518 8.516 25.277 1.00 0.00 H ATOM 234 N GLU A 23 -20.853 9.033 27.114 1.00 64.94 N ATOM 235 CA GLU A 23 -19.487 9.395 27.551 1.00 66.47 C ATOM 236 C GLU A 23 -19.406 10.863 27.990 1.00 62.49 C ATOM 237 O GLU A 23 -18.643 11.207 28.883 1.00 59.76 O ATOM 238 CB GLU A 23 -18.470 9.188 26.435 1.00 69.29 C ATOM 239 CG GLU A 23 -18.025 7.751 26.274 1.00 72.15 C ATOM 240 CD GLU A 23 -16.918 7.644 25.249 1.00 74.26 C ATOM 241 OE1 GLU A 23 -15.817 7.209 25.615 1.00 76.77 O ATOM 242 OE2 GLU A 23 -17.160 8.042 24.096 1.00 81.94 O ATOM 243 H GLU A 23 -21.020 8.809 26.112 1.00 0.00 H ATOM 244 N TYR A 24 -20.184 11.732 27.353 1.00 64.22 N ATOM 245 CA TYR A 24 -20.169 13.141 27.713 1.00 73.13 C ATOM 246 C TYR A 24 -21.424 13.476 28.539 1.00 71.02 C ATOM 247 O TYR A 24 -21.870 14.607 28.561 1.00 73.46 O ATOM 248 CB TYR A 24 -19.924 13.956 26.440 1.00 78.53 C ATOM 249 CG TYR A 24 -18.727 13.443 25.674 1.00 88.04 C ATOM 250 CD1 TYR A 24 -17.437 13.643 26.143 1.00 90.21 C ATOM 251 CD2 TYR A 24 -18.875 12.696 24.514 1.00 95.57 C ATOM 252 CE1 TYR A 24 -16.331 13.144 25.471 1.00 90.39 C ATOM 253 CE2 TYR A 24 -17.781 12.188 23.827 1.00 90.78 C ATOM 254 CZ TYR A 24 -16.502 12.409 24.309 1.00 87.98 C ATOM 255 OH TYR A 24 -15.418 11.917 23.640 1.00 77.22 O ATOM 256 HH TYR A 24 -14.591 12.168 24.123 1.00 0.00 H ATOM 257 H TYR A 24 -20.809 11.402 26.590 1.00 0.00 H ATOM 258 N GLY A 25 -21.959 12.473 29.250 1.00 70.17 N ATOM 259 CA GLY A 25 -22.933 12.659 30.332 1.00 65.17 C ATOM 260 C GLY A 25 -24.328 13.031 29.850 1.00 69.70 C ATOM 261 O GLY A 25 -25.130 13.560 30.623 1.00 65.09 O ATOM 262 H GLY A 25 -21.665 11.502 29.020 1.00 0.00 H ATOM 263 N GLU A 26 -24.637 12.715 28.588 1.00 69.22 N ATOM 264 CA GLU A 26 -25.889 13.093 27.974 1.00 62.60 C ATOM 265 C GLU A 26 -26.810 11.877 27.908 1.00 56.78 C ATOM 266 O GLU A 26 -26.395 10.801 27.503 1.00 58.27 O ATOM 267 CB GLU A 26 -25.630 13.645 26.577 1.00 64.09 C ATOM 268 CG GLU A 26 -24.554 14.704 26.569 1.00 67.20 C ATOM 269 CD GLU A 26 -24.842 15.913 25.701 1.00 71.67 C ATOM 270 OE1 GLU A 26 -23.883 16.416 25.090 1.00 64.26 O ATOM 271 OE2 GLU A 26 -26.014 16.367 25.662 1.00 83.21 O ATOM 272 H GLU A 26 -23.948 12.175 28.026 1.00 0.00 H ATOM 273 N ASP A 27 -28.074 12.079 28.272 1.00 53.01 N ATOM 274 CA ASP A 27 -29.041 11.008 28.255 1.00 54.72 C ATOM 275 C ASP A 27 -29.869 11.090 26.976 1.00 49.33 C ATOM 276 O ASP A 27 -30.624 12.042 26.784 1.00 46.54 O ATOM 277 CB ASP A 27 -29.924 11.040 29.501 1.00 50.89 C ATOM 278 CG ASP A 27 -30.823 9.827 29.644 1.00 52.79 C ATOM 279 OD1 ASP A 27 -30.821 8.978 28.740 1.00 56.46 O ATOM 280 OD2 ASP A 27 -31.539 9.751 30.658 1.00 64.79 O ATOM 281 H ASP A 27 -28.371 13.028 28.575 1.00 0.00 H ATOM 282 N PRO A 28 -29.799 10.058 26.107 1.00 50.05 N ATOM 283 CA PRO A 28 -30.560 10.032 24.857 1.00 51.22 C ATOM 284 C PRO A 28 -32.079 10.037 25.044 1.00 49.99 C ATOM 285 O PRO A 28 -32.811 10.429 24.136 1.00 50.06 O ATOM 286 CB PRO A 28 -30.155 8.710 24.198 1.00 47.36 C ATOM 287 CG PRO A 28 -28.824 8.380 24.826 1.00 49.16 C ATOM 288 CD PRO A 28 -28.944 8.867 26.252 1.00 49.15 C ATOM 289 N LYS A 29 -32.529 9.621 26.230 1.00 51.05 N ATOM 290 CA LYS A 29 -33.955 9.579 26.531 1.00 46.59 C ATOM 291 C LYS A 29 -34.421 10.997 26.877 1.00 42.85 C ATOM 292 O LYS A 29 -35.602 11.286 26.823 1.00 51.12 O ATOM 293 CB LYS A 29 -34.222 8.598 27.677 1.00 51.58 C ATOM 294 CG LYS A 29 -33.490 7.264 27.573 1.00 56.68 C ATOM 295 CD LYS A 29 -33.835 6.303 28.684 1.00 65.98 C ATOM 296 CE LYS A 29 -35.159 5.592 28.474 1.00 70.59 C ATOM 297 NZ LYS A 29 -34.968 4.319 27.737 1.00 70.42 N ATOM 298 HZ1 LYS A 29 -34.545 4.518 26.808 1.00 0.00 H ATOM 299 HZ2 LYS A 29 -34.337 3.696 28.281 1.00 0.00 H ATOM 300 HZ3 LYS A 29 -35.889 3.853 27.607 1.00 0.00 H ATOM 301 H LYS A 29 -31.847 9.320 26.955 1.00 0.00 H ATOM 302 N ILE A 30 -33.478 11.866 27.257 1.00 45.05 N ATOM 303 CA ILE A 30 -33.771 13.274 27.591 1.00 50.17 C ATOM 304 C ILE A 30 -33.468 14.184 26.398 1.00 48.63 C ATOM 305 O ILE A 30 -34.298 15.036 26.046 1.00 45.41 O ATOM 306 CB ILE A 30 -32.984 13.727 28.839 1.00 49.78 C ATOM 307 CG1 ILE A 30 -33.232 12.799 30.031 1.00 54.01 C ATOM 308 CG2 ILE A 30 -33.300 15.174 29.178 1.00 48.41 C ATOM 309 CD1 ILE A 30 -34.689 12.453 30.257 1.00 54.60 C ATOM 310 H ILE A 30 -32.494 11.535 27.320 1.00 0.00 H ATOM 311 N GLU A 31 -32.256 14.065 25.841 1.00 46.15 N ATOM 312 CA GLU A 31 -31.834 14.926 24.745 1.00 44.23 C ATOM 313 C GLU A 31 -32.146 14.193 23.432 1.00 43.14 C ATOM 314 O GLU A 31 -31.258 13.817 22.690 1.00 43.24 O ATOM 315 CB GLU A 31 -30.366 15.321 24.932 1.00 46.15 C ATOM 316 CG GLU A 31 -30.145 16.346 26.048 1.00 54.14 C ATOM 317 CD GLU A 31 -30.933 17.647 25.877 1.00 61.51 C ATOM 318 OE1 GLU A 31 -31.858 17.892 26.690 1.00 66.74 O ATOM 319 OE2 GLU A 31 -30.647 18.410 24.917 1.00 59.60 O ATOM 320 H GLU A 31 -31.601 13.341 26.199 1.00 0.00 H ATOM 321 N THR A 32 -33.439 13.962 23.194 1.00 42.90 N ATOM 322 CA THR A 32 -33.898 13.065 22.159 1.00 43.02 C ATOM 323 C THR A 32 -33.702 13.717 20.784 1.00 46.30 C ATOM 324 O THR A 32 -33.486 12.987 19.804 1.00 42.45 O ATOM 325 CB THR A 32 -35.350 12.625 22.386 1.00 44.46 C ATOM 326 OG1 THR A 32 -36.127 13.814 22.257 1.00 48.33 O ATOM 327 CG2 THR A 32 -35.575 11.917 23.709 1.00 43.07 C ATOM 328 HG1 THR A 32 -35.999 14.194 21.352 1.00 0.00 H ATOM 329 H THR A 32 -34.147 14.449 23.780 1.00 0.00 H ATOM 330 N ASN A 33 -33.767 15.058 20.723 1.00 38.41 N ATOM 331 CA ASN A 33 -33.531 15.808 19.495 1.00 44.12 C ATOM 332 C ASN A 33 -32.050 15.717 19.128 1.00 44.18 C ATOM 333 O ASN A 33 -31.707 15.542 17.958 1.00 40.01 O ATOM 334 CB ASN A 33 -33.964 17.277 19.569 1.00 46.07 C ATOM 335 CG ASN A 33 -35.462 17.470 19.455 1.00 48.69 C ATOM 336 OD1 ASN A 33 -36.190 16.525 19.150 1.00 51.86 O ATOM 337 ND2 ASN A 33 -35.932 18.689 19.699 1.00 49.25 N ATOM 338 HD22 ASN A 33 -35.278 19.457 19.953 1.00 0.00 H ATOM 339 HD21 ASN A 33 -36.953 18.875 19.636 1.00 0.00 H ATOM 340 H ASN A 33 -33.996 15.584 21.590 1.00 0.00 H ATOM 341 N LYS A 34 -31.193 15.810 20.146 1.00 42.79 N ATOM 342 CA LYS A 34 -29.736 15.688 19.993 1.00 45.85 C ATOM 343 C LYS A 34 -29.352 14.311 19.423 1.00 44.76 C ATOM 344 O LYS A 34 -28.493 14.185 18.558 1.00 45.88 O ATOM 345 CB LYS A 34 -29.058 15.899 21.347 1.00 48.09 C ATOM 346 CG LYS A 34 -27.543 16.024 21.288 1.00 52.33 C ATOM 347 CD LYS A 34 -27.022 17.025 22.276 1.00 56.66 C ATOM 348 CE LYS A 34 -25.583 17.396 22.030 1.00 56.41 C ATOM 349 NZ LYS A 34 -25.071 18.163 23.184 1.00 60.36 N ATOM 350 HZ1 LYS A 34 -25.638 19.027 23.304 1.00 0.00 H ATOM 351 HZ2 LYS A 34 -25.139 17.581 24.043 1.00 0.00 H ATOM 352 HZ3 LYS A 34 -24.077 18.420 23.015 1.00 0.00 H ATOM 353 H LYS A 34 -31.576 15.978 21.098 1.00 0.00 H ATOM 354 N PHE A 35 -30.002 13.287 19.960 1.00 44.81 N ATOM 355 CA PHE A 35 -29.807 11.905 19.611 1.00 43.91 C ATOM 356 C PHE A 35 -30.157 11.717 18.124 1.00 38.23 C ATOM 357 O PHE A 35 -29.365 11.167 17.368 1.00 41.18 O ATOM 358 CB PHE A 35 -30.655 11.103 20.603 1.00 44.24 C ATOM 359 CG PHE A 35 -30.604 9.601 20.548 1.00 41.28 C ATOM 360 CD1 PHE A 35 -29.439 8.930 20.219 1.00 42.20 C ATOM 361 CD2 PHE A 35 -31.723 8.866 20.916 1.00 42.76 C ATOM 362 CE1 PHE A 35 -29.405 7.543 20.232 1.00 43.02 C ATOM 363 CE2 PHE A 35 -31.695 7.479 20.924 1.00 43.41 C ATOM 364 CZ PHE A 35 -30.532 6.823 20.585 1.00 48.45 C ATOM 365 H PHE A 35 -30.709 13.500 20.692 1.00 0.00 H ATOM 366 N ALA A 36 -31.371 12.135 17.743 1.00 36.08 N ATOM 367 CA ALA A 36 -31.851 12.079 16.387 1.00 34.42 C ATOM 368 C ALA A 36 -30.856 12.782 15.462 1.00 35.69 C ATOM 369 O ALA A 36 -30.555 12.271 14.400 1.00 35.30 O ATOM 370 CB ALA A 36 -33.221 12.692 16.290 1.00 36.05 C ATOM 371 H ALA A 36 -32.005 12.523 18.470 1.00 0.00 H ATOM 372 N ALA A 37 -30.307 13.926 15.902 1.00 37.51 N ATOM 373 CA ALA A 37 -29.398 14.717 15.069 1.00 34.78 C ATOM 374 C ALA A 37 -28.069 13.986 14.922 1.00 32.81 C ATOM 375 O ALA A 37 -27.501 13.988 13.844 1.00 28.79 O ATOM 376 CB ALA A 37 -29.191 16.103 15.618 1.00 36.40 C ATOM 377 H ALA A 37 -30.533 14.260 16.861 1.00 0.00 H ATOM 378 N ILE A 38 -27.580 13.372 16.003 1.00 38.05 N ATOM 379 CA ILE A 38 -26.268 12.687 15.967 1.00 41.46 C ATOM 380 C ILE A 38 -26.340 11.496 14.989 1.00 38.48 C ATOM 381 O ILE A 38 -25.506 11.352 14.090 1.00 37.40 O ATOM 382 CB ILE A 38 -25.820 12.272 17.379 1.00 43.69 C ATOM 383 CG1 ILE A 38 -25.359 13.483 18.193 1.00 46.46 C ATOM 384 CG2 ILE A 38 -24.732 11.214 17.298 1.00 44.97 C ATOM 385 CD1 ILE A 38 -25.360 13.274 19.680 1.00 46.06 C ATOM 386 H ILE A 38 -28.131 13.375 16.885 1.00 0.00 H ATOM 387 N CYS A 39 -27.382 10.692 15.143 1.00 36.16 N ATOM 388 CA CYS A 39 -27.649 9.544 14.277 1.00 37.68 C ATOM 389 C CYS A 39 -27.744 10.023 12.828 1.00 38.83 C ATOM 390 O CYS A 39 -27.124 9.423 11.927 1.00 34.56 O ATOM 391 CB CYS A 39 -28.950 8.846 14.649 1.00 37.81 C ATOM 392 SG CYS A 39 -28.879 7.961 16.231 1.00 41.64 S ATOM 393 H CYS A 39 -28.045 10.888 15.920 1.00 0.00 H ATOM 394 N THR A 40 -28.509 11.111 12.625 1.00 37.19 N ATOM 395 CA THR A 40 -28.800 11.587 11.299 1.00 35.11 C ATOM 396 C THR A 40 -27.479 11.932 10.621 1.00 34.24 C ATOM 397 O THR A 40 -27.200 11.434 9.554 1.00 34.88 O ATOM 398 CB THR A 40 -29.821 12.733 11.297 1.00 38.71 C ATOM 399 OG1 THR A 40 -31.125 12.212 11.592 1.00 36.01 O ATOM 400 CG2 THR A 40 -29.922 13.411 9.947 1.00 41.55 C ATOM 401 HG1 THR A 40 -31.113 11.781 12.483 1.00 0.00 H ATOM 402 H THR A 40 -28.898 11.619 13.445 1.00 0.00 H ATOM 403 N HIS A 41 -26.663 12.747 11.294 1.00 36.35 N ATOM 404 CA HIS A 41 -25.371 13.188 10.811 1.00 35.74 C ATOM 405 C HIS A 41 -24.382 12.019 10.616 1.00 40.25 C ATOM 406 O HIS A 41 -23.508 12.057 9.688 1.00 29.96 O ATOM 407 CB HIS A 41 -24.786 14.179 11.814 1.00 34.50 C ATOM 408 CG HIS A 41 -23.426 14.671 11.462 1.00 33.89 C ATOM 409 ND1 HIS A 41 -22.280 14.115 11.997 1.00 34.30 N ATOM 410 CD2 HIS A 41 -23.023 15.678 10.664 1.00 35.32 C ATOM 411 CE1 HIS A 41 -21.221 14.742 11.523 1.00 33.80 C ATOM 412 NE2 HIS A 41 -21.650 15.722 10.715 1.00 35.18 N ATOM 413 H HIS A 41 -26.976 13.087 12.226 1.00 0.00 H ATOM 414 N LEU A 42 -24.434 11.031 11.525 1.00 37.91 N ATOM 415 CA LEU A 42 -23.585 9.860 11.380 1.00 41.49 C ATOM 416 C LEU A 42 -23.943 9.153 10.066 1.00 40.36 C ATOM 417 O LEU A 42 -23.077 8.778 9.288 1.00 37.91 O ATOM 418 CB LEU A 42 -23.774 8.890 12.547 1.00 48.86 C ATOM 419 CG LEU A 42 -22.566 8.672 13.454 1.00 52.39 C ATOM 420 CD1 LEU A 42 -22.814 7.495 14.398 1.00 55.17 C ATOM 421 CD2 LEU A 42 -21.299 8.429 12.651 1.00 50.22 C ATOM 422 H LEU A 42 -25.083 11.104 12.334 1.00 0.00 H ATOM 423 N GLU A 43 -25.241 8.967 9.846 1.00 36.93 N ATOM 424 CA GLU A 43 -25.678 8.228 8.724 1.00 38.18 C ATOM 425 C GLU A 43 -25.242 8.911 7.425 1.00 40.90 C ATOM 426 O GLU A 43 -24.857 8.229 6.461 1.00 40.22 O ATOM 427 CB GLU A 43 -27.186 8.068 8.725 1.00 40.66 C ATOM 428 CG GLU A 43 -27.608 7.073 7.668 1.00 44.93 C ATOM 429 CD GLU A 43 -29.046 6.651 7.767 1.00 46.32 C ATOM 430 OE1 GLU A 43 -29.834 7.407 8.353 1.00 53.09 O ATOM 431 OE2 GLU A 43 -29.367 5.599 7.224 1.00 52.81 O ATOM 432 H GLU A 43 -25.939 9.368 10.504 1.00 0.00 H ATOM 433 N VAL A 44 -25.290 10.244 7.408 1.00 35.41 N ATOM 434 CA VAL A 44 -24.884 10.993 6.243 1.00 32.79 C ATOM 435 C VAL A 44 -23.398 10.772 6.019 1.00 30.72 C ATOM 436 O VAL A 44 -22.978 10.602 4.899 1.00 37.45 O ATOM 437 CB VAL A 44 -25.211 12.500 6.332 1.00 31.66 C ATOM 438 CG1 VAL A 44 -24.494 13.297 5.257 1.00 32.57 C ATOM 439 CG2 VAL A 44 -26.693 12.757 6.236 1.00 33.49 C ATOM 440 H VAL A 44 -25.626 10.753 8.250 1.00 0.00 H ATOM 441 N CYS A 45 -22.602 10.858 7.076 1.00 33.61 N ATOM 442 CA CYS A 45 -21.175 10.609 6.960 1.00 36.27 C ATOM 443 C CYS A 45 -20.886 9.230 6.330 1.00 41.29 C ATOM 444 O CYS A 45 -20.033 9.100 5.430 1.00 37.72 O ATOM 445 CB CYS A 45 -20.529 10.749 8.324 1.00 35.66 C ATOM 446 SG CYS A 45 -20.361 12.504 8.742 1.00 39.37 S ATOM 447 H CYS A 45 -23.005 11.107 8.002 1.00 0.00 H ATOM 448 N PHE A 46 -21.592 8.205 6.808 1.00 39.74 N ATOM 449 CA PHE A 46 -21.394 6.830 6.355 1.00 40.80 C ATOM 450 C PHE A 46 -21.815 6.732 4.892 1.00 41.54 C ATOM 451 O PHE A 46 -21.063 6.207 4.078 1.00 47.05 O ATOM 452 CB PHE A 46 -22.176 5.850 7.233 1.00 39.42 C ATOM 453 CG PHE A 46 -21.596 5.637 8.604 1.00 41.77 C ATOM 454 CD1 PHE A 46 -20.349 6.137 8.952 1.00 46.51 C ATOM 455 CD2 PHE A 46 -22.291 4.906 9.552 1.00 47.16 C ATOM 456 CE1 PHE A 46 -19.833 5.944 10.227 1.00 46.97 C ATOM 457 CE2 PHE A 46 -21.758 4.686 10.814 1.00 43.51 C ATOM 458 CZ PHE A 46 -20.535 5.205 11.151 1.00 43.23 C ATOM 459 H PHE A 46 -22.314 8.392 7.533 1.00 0.00 H ATOM 460 N MET A 47 -22.985 7.300 4.570 1.00 40.23 N ATOM 461 CA MET A 47 -23.490 7.270 3.231 1.00 40.18 C ATOM 462 C MET A 47 -22.507 7.953 2.266 1.00 46.18 C ATOM 463 O MET A 47 -22.353 7.468 1.139 1.00 43.66 O ATOM 464 CB MET A 47 -24.835 7.978 3.111 1.00 42.69 C ATOM 465 CG MET A 47 -25.995 7.156 3.526 1.00 41.02 C ATOM 466 SD MET A 47 -27.491 8.152 3.438 1.00 43.66 S ATOM 467 CE MET A 47 -27.876 8.038 1.691 1.00 47.03 C ATOM 468 H MET A 47 -23.540 7.774 5.311 1.00 0.00 H ATOM 469 N TYR A 48 -21.905 9.084 2.689 1.00 38.55 N ATOM 470 CA TYR A 48 -20.973 9.857 1.880 1.00 39.17 C ATOM 471 C TYR A 48 -19.738 9.001 1.550 1.00 40.36 C ATOM 472 O TYR A 48 -19.354 8.897 0.396 1.00 37.53 O ATOM 473 CB TYR A 48 -20.591 11.139 2.623 1.00 40.33 C ATOM 474 CG TYR A 48 -20.165 12.332 1.803 1.00 38.91 C ATOM 475 CD1 TYR A 48 -18.932 12.387 1.168 1.00 42.98 C ATOM 476 CD2 TYR A 48 -20.941 13.479 1.791 1.00 40.67 C ATOM 477 CE1 TYR A 48 -18.500 13.526 0.500 1.00 39.44 C ATOM 478 CE2 TYR A 48 -20.539 14.619 1.106 1.00 42.70 C ATOM 479 CZ TYR A 48 -19.318 14.642 0.454 1.00 41.86 C ATOM 480 OH TYR A 48 -18.946 15.773 -0.216 1.00 42.57 O ATOM 481 HH TYR A 48 -19.610 15.969 -0.924 1.00 0.00 H ATOM 482 H TYR A 48 -22.119 9.423 3.648 1.00 0.00 H ATOM 483 N SER A 49 -19.127 8.375 2.561 1.00 44.59 N ATOM 484 CA SER A 49 -17.961 7.490 2.344 1.00 47.80 C ATOM 485 C SER A 49 -18.326 6.267 1.476 1.00 43.59 C ATOM 486 O SER A 49 -17.547 5.832 0.645 1.00 52.97 O ATOM 487 CB SER A 49 -17.360 7.073 3.651 1.00 48.29 C ATOM 488 OG SER A 49 -18.289 6.301 4.382 1.00 57.14 O ATOM 489 HG SER A 49 -19.102 6.840 4.553 1.00 0.00 H ATOM 490 H SER A 49 -19.482 8.514 3.529 1.00 0.00 H ATOM 491 N ASP A 50 -19.523 5.718 1.651 1.00 45.97 N ATOM 492 CA ASP A 50 -19.924 4.546 0.912 1.00 53.39 C ATOM 493 C ASP A 50 -19.928 4.866 -0.581 1.00 59.64 C ATOM 494 O ASP A 50 -19.520 4.047 -1.373 1.00 65.74 O ATOM 495 CB ASP A 50 -21.283 4.019 1.370 1.00 55.62 C ATOM 496 CG ASP A 50 -21.229 3.312 2.715 1.00 62.30 C ATOM 497 OD1 ASP A 50 -20.103 3.106 3.249 1.00 68.50 O ATOM 498 OD2 ASP A 50 -22.309 2.978 3.228 1.00 67.60 O ATOM 499 H ASP A 50 -20.183 6.141 2.334 1.00 0.00 H ATOM 500 N PHE A 51 -20.305 6.092 -0.945 1.00 66.96 N ATOM 501 CA PHE A 51 -20.450 6.458 -2.352 1.00 67.52 C ATOM 502 C PHE A 51 -19.081 6.679 -3.012 1.00 67.19 C ATOM 503 O PHE A 51 -19.015 7.226 -4.097 1.00 69.00 O ATOM 504 CB PHE A 51 -21.399 7.652 -2.493 1.00 68.37 C ATOM 505 CG PHE A 51 -22.823 7.364 -2.085 1.00 68.91 C ATOM 506 CD1 PHE A 51 -23.478 6.222 -2.524 1.00 75.44 C ATOM 507 CD2 PHE A 51 -23.523 8.243 -1.272 1.00 72.02 C ATOM 508 CE1 PHE A 51 -24.787 5.958 -2.144 1.00 78.39 C ATOM 509 CE2 PHE A 51 -24.834 7.977 -0.896 1.00 69.19 C ATOM 510 CZ PHE A 51 -25.464 6.835 -1.329 1.00 72.82 C ATOM 511 H PHE A 51 -20.500 6.803 -0.212 1.00 0.00 H ATOM 512 N GLY A 52 -18.007 6.183 -2.388 1.00 69.81 N ATOM 513 CA GLY A 52 -16.692 6.130 -3.009 1.00 69.43 C ATOM 514 C GLY A 52 -15.780 5.163 -2.277 1.00 75.73 C ATOM 515 O GLY A 52 -15.809 3.962 -2.538 1.00 82.67 O ATOM 516 H GLY A 52 -18.116 5.820 -1.419 1.00 0.00 H TER 517 GLY A 52 ATOM 518 N HIS A 74 -12.454 2.937 -2.283 1.00 77.04 N ATOM 519 CA HIS A 74 -11.870 3.590 -1.113 1.00 72.83 C ATOM 520 C HIS A 74 -11.504 5.046 -1.455 1.00 67.77 C ATOM 521 O HIS A 74 -10.350 5.459 -1.294 1.00 69.00 O ATOM 522 CB HIS A 74 -10.669 2.762 -0.612 1.00 78.77 C ATOM 523 CG HIS A 74 -10.237 3.051 0.793 1.00 85.84 C ATOM 524 ND1 HIS A 74 -11.125 3.084 1.860 1.00 87.43 N ATOM 525 CD2 HIS A 74 -9.013 3.283 1.321 1.00 90.12 C ATOM 526 CE1 HIS A 74 -10.467 3.346 2.973 1.00 87.29 C ATOM 527 NE2 HIS A 74 -9.169 3.470 2.671 1.00 86.35 N ATOM 528 HN3 HIS A 74 -11.766 2.945 -3.062 1.00 0.00 H ATOM 529 HN2 HIS A 74 -13.312 3.449 -2.572 1.00 0.00 H ATOM 530 HN1 HIS A 74 -12.698 1.955 -2.044 1.00 0.00 H ATOM 531 N ARG A 75 -12.482 5.829 -1.935 1.00 59.03 N ATOM 532 CA ARG A 75 -12.251 7.254 -2.207 1.00 52.01 C ATOM 533 C ARG A 75 -12.108 8.021 -0.887 1.00 51.95 C ATOM 534 O ARG A 75 -11.297 8.913 -0.806 1.00 49.56 O ATOM 535 CB ARG A 75 -13.344 7.932 -3.038 1.00 48.74 C ATOM 536 CG ARG A 75 -13.078 9.424 -3.189 1.00 48.92 C ATOM 537 CD ARG A 75 -13.948 10.190 -4.162 1.00 49.87 C ATOM 538 NE ARG A 75 -13.530 11.590 -4.196 1.00 46.26 N ATOM 539 CZ ARG A 75 -14.107 12.530 -4.929 1.00 46.14 C ATOM 540 NH1 ARG A 75 -15.165 12.238 -5.658 1.00 48.34 N ATOM 541 NH2 ARG A 75 -13.619 13.755 -4.950 1.00 49.76 N ATOM 542 HE ARG A 75 -12.722 11.868 -3.603 1.00 0.00 H ATOM 543 HH12 ARG A 75 -15.619 12.975 -6.234 1.00 0.00 H ATOM 544 HH11 ARG A 75 -15.546 11.270 -5.657 1.00 0.00 H ATOM 545 HH22 ARG A 75 -14.078 14.488 -5.528 1.00 0.00 H ATOM 546 HH21 ARG A 75 -12.775 13.988 -4.388 1.00 0.00 H ATOM 547 H ARG A 75 -13.420 5.420 -2.118 1.00 0.00 H ATOM 548 N PHE A 76 -12.884 7.637 0.135 1.00 53.74 N ATOM 549 CA PHE A 76 -13.011 8.409 1.351 1.00 46.10 C ATOM 550 C PHE A 76 -12.509 7.626 2.559 1.00 48.48 C ATOM 551 O PHE A 76 -12.753 6.448 2.680 1.00 57.07 O ATOM 552 CB PHE A 76 -14.467 8.813 1.543 1.00 45.60 C ATOM 553 CG PHE A 76 -14.973 9.731 0.462 1.00 46.26 C ATOM 554 CD1 PHE A 76 -14.484 11.021 0.351 1.00 44.38 C ATOM 555 CD2 PHE A 76 -15.932 9.303 -0.445 1.00 47.14 C ATOM 556 CE1 PHE A 76 -14.963 11.879 -0.626 1.00 46.24 C ATOM 557 CE2 PHE A 76 -16.390 10.154 -1.439 1.00 48.79 C ATOM 558 CZ PHE A 76 -15.910 11.441 -1.525 1.00 49.15 C ATOM 559 H PHE A 76 -13.417 6.748 0.051 1.00 0.00 H ATOM 560 N GLU A 77 -11.808 8.317 3.457 1.00 45.96 N ATOM 561 CA GLU A 77 -11.519 7.803 4.778 1.00 46.89 C ATOM 562 C GLU A 77 -12.549 8.368 5.767 1.00 49.05 C ATOM 563 O GLU A 77 -12.765 9.557 5.833 1.00 48.51 O ATOM 564 CB GLU A 77 -10.114 8.213 5.211 1.00 51.59 C ATOM 565 CG GLU A 77 -9.611 7.428 6.404 1.00 54.59 C ATOM 566 CD GLU A 77 -9.474 5.959 6.068 1.00 55.92 C ATOM 567 OE1 GLU A 77 -8.741 5.628 5.085 1.00 49.90 O ATOM 568 OE2 GLU A 77 -10.168 5.177 6.722 1.00 51.98 O ATOM 569 H GLU A 77 -11.456 9.261 3.199 1.00 0.00 H ATOM 570 N ILE A 78 -13.159 7.494 6.564 1.00 49.03 N ATOM 571 CA ILE A 78 -14.154 7.900 7.521 1.00 46.66 C ATOM 572 C ILE A 78 -13.448 8.268 8.831 1.00 49.63 C ATOM 573 O ILE A 78 -12.704 7.458 9.390 1.00 48.45 O ATOM 574 CB ILE A 78 -15.215 6.802 7.717 1.00 49.93 C ATOM 575 CG1 ILE A 78 -16.237 7.236 8.766 1.00 56.23 C ATOM 576 CG2 ILE A 78 -14.603 5.454 8.069 1.00 53.54 C ATOM 577 CD1 ILE A 78 -16.958 8.526 8.426 1.00 58.34 C ATOM 578 H ILE A 78 -12.909 6.487 6.493 1.00 0.00 H ATOM 579 N ILE A 79 -13.672 9.494 9.316 1.00 44.53 N ATOM 580 CA ILE A 79 -13.055 9.945 10.573 1.00 42.98 C ATOM 581 C ILE A 79 -14.124 10.014 11.666 1.00 40.48 C ATOM 582 O ILE A 79 -13.897 9.625 12.808 1.00 40.14 O ATOM 583 CB ILE A 79 -12.337 11.286 10.356 1.00 45.53 C ATOM 584 CG1 ILE A 79 -11.211 11.125 9.334 1.00 48.55 C ATOM 585 CG2 ILE A 79 -11.819 11.865 11.669 1.00 45.11 C ATOM 586 CD1 ILE A 79 -10.949 12.365 8.538 1.00 52.20 C ATOM 587 H ILE A 79 -14.295 10.142 8.794 1.00 0.00 H ATOM 588 N GLU A 80 -15.291 10.534 11.296 1.00 41.12 N ATOM 589 CA GLU A 80 -16.429 10.610 12.178 1.00 41.17 C ATOM 590 C GLU A 80 -16.856 9.175 12.507 1.00 44.73 C ATOM 591 O GLU A 80 -16.789 8.297 11.640 1.00 41.27 O ATOM 592 CB GLU A 80 -17.543 11.413 11.501 1.00 40.29 C ATOM 593 CG GLU A 80 -18.767 11.661 12.372 1.00 42.61 C ATOM 594 CD GLU A 80 -18.510 12.516 13.595 1.00 44.55 C ATOM 595 OE1 GLU A 80 -18.351 11.923 14.672 1.00 49.89 O ATOM 596 OE2 GLU A 80 -18.494 13.769 13.479 1.00 43.25 O ATOM 597 H GLU A 80 -15.387 10.902 10.328 1.00 0.00 H ATOM 598 N GLY A 81 -17.274 8.951 13.757 1.00 42.66 N ATOM 599 CA GLY A 81 -17.772 7.653 14.174 1.00 48.81 C ATOM 600 C GLY A 81 -16.731 6.778 14.870 1.00 49.06 C ATOM 601 O GLY A 81 -17.068 5.687 15.315 1.00 59.71 O ATOM 602 H GLY A 81 -17.241 9.727 14.449 1.00 0.00 H ATOM 603 N ARG A 82 -15.482 7.238 14.966 1.00 46.84 N ATOM 604 CA ARG A 82 -14.434 6.536 15.706 1.00 47.97 C ATOM 605 C ARG A 82 -14.170 7.279 17.008 1.00 47.20 C ATOM 606 O ARG A 82 -14.464 8.457 17.102 1.00 46.32 O ATOM 607 CB ARG A 82 -13.105 6.505 14.951 1.00 48.79 C ATOM 608 CG ARG A 82 -13.220 6.210 13.466 1.00 52.33 C ATOM 609 CD ARG A 82 -11.844 6.371 12.860 1.00 55.06 C ATOM 610 NE ARG A 82 -11.833 6.014 11.453 1.00 61.01 N ATOM 611 CZ ARG A 82 -11.278 4.925 10.930 1.00 60.42 C ATOM 612 NH1 ARG A 82 -10.715 4.009 11.703 1.00 55.37 N ATOM 613 NH2 ARG A 82 -11.265 4.783 9.616 1.00 60.52 N ATOM 614 HE ARG A 82 -12.301 6.669 10.795 1.00 0.00 H ATOM 615 HH12 ARG A 82 -10.285 3.163 11.278 1.00 0.00 H ATOM 616 HH11 ARG A 82 -10.703 4.136 12.735 1.00 0.00 H ATOM 617 HH22 ARG A 82 -10.835 3.938 9.189 1.00 0.00 H ATOM 618 HH21 ARG A 82 -11.684 5.516 9.010 1.00 0.00 H ATOM 619 H ARG A 82 -15.244 8.134 14.495 1.00 0.00 H ATOM 620 N ASP A 83 -13.537 6.599 17.970 1.00 55.54 N ATOM 621 CA ASP A 83 -13.084 7.265 19.195 1.00 53.07 C ATOM 622 C ASP A 83 -11.944 8.225 18.818 1.00 53.67 C ATOM 623 O ASP A 83 -11.338 8.127 17.734 1.00 52.85 O ATOM 624 CB ASP A 83 -12.714 6.257 20.284 1.00 56.05 C ATOM 625 CG ASP A 83 -11.396 5.559 20.025 1.00 55.59 C ATOM 626 OD1 ASP A 83 -11.421 4.515 19.393 1.00 66.03 O ATOM 627 OD2 ASP A 83 -10.360 6.109 20.406 1.00 66.03 O ATOM 628 H ASP A 83 -13.363 5.581 17.847 1.00 0.00 H ATOM 629 N ARG A 84 -11.672 9.175 19.715 1.00 53.36 N ATOM 630 CA ARG A 84 -10.795 10.303 19.417 1.00 57.44 C ATOM 631 C ARG A 84 -9.366 9.828 19.115 1.00 53.27 C ATOM 632 O ARG A 84 -8.693 10.391 18.234 1.00 50.39 O ATOM 633 CB ARG A 84 -10.835 11.318 20.565 1.00 59.67 C ATOM 634 CG ARG A 84 -11.852 12.428 20.347 1.00 58.75 C ATOM 635 CD ARG A 84 -12.642 12.747 21.589 1.00 61.98 C ATOM 636 NE ARG A 84 -13.602 13.793 21.291 1.00 64.68 N ATOM 637 CZ ARG A 84 -14.306 14.445 22.204 1.00 73.29 C ATOM 638 NH1 ARG A 84 -15.185 15.357 21.830 1.00 82.29 N ATOM 639 NH2 ARG A 84 -14.128 14.191 23.488 1.00 78.66 N ATOM 640 HE ARG A 84 -13.747 14.048 20.293 1.00 0.00 H ATOM 641 HH12 ARG A 84 -15.739 15.870 22.546 1.00 0.00 H ATOM 642 HH11 ARG A 84 -15.324 15.562 20.820 1.00 0.00 H ATOM 643 HH22 ARG A 84 -14.683 14.705 24.202 1.00 0.00 H ATOM 644 HH21 ARG A 84 -13.433 13.477 23.785 1.00 0.00 H ATOM 645 H ARG A 84 -12.100 9.109 20.660 1.00 0.00 H ATOM 646 N ILE A 85 -8.929 8.787 19.827 1.00 49.53 N ATOM 647 CA ILE A 85 -7.596 8.202 19.654 1.00 49.52 C ATOM 648 C ILE A 85 -7.456 7.699 18.214 1.00 46.62 C ATOM 649 O ILE A 85 -6.481 8.010 17.546 1.00 43.69 O ATOM 650 CB ILE A 85 -7.344 7.091 20.695 1.00 52.17 C ATOM 651 CG1 ILE A 85 -7.251 7.674 22.109 1.00 53.38 C ATOM 652 CG2 ILE A 85 -6.109 6.269 20.346 1.00 50.63 C ATOM 653 CD1 ILE A 85 -7.516 6.681 23.211 1.00 56.10 C ATOM 654 H ILE A 85 -9.564 8.371 20.538 1.00 0.00 H ATOM 655 N MET A 86 -8.453 6.946 17.750 1.00 48.85 N ATOM 656 CA MET A 86 -8.405 6.364 16.417 1.00 52.10 C ATOM 657 C MET A 86 -8.553 7.468 15.361 1.00 48.43 C ATOM 658 O MET A 86 -7.889 7.428 14.326 1.00 50.29 O ATOM 659 CB MET A 86 -9.488 5.295 16.219 1.00 52.39 C ATOM 660 CG MET A 86 -9.085 3.924 16.730 1.00 58.28 C ATOM 661 SD MET A 86 -7.422 3.401 16.189 1.00 72.02 S ATOM 662 CE MET A 86 -7.499 3.585 14.409 1.00 59.03 C ATOM 663 H MET A 86 -9.282 6.771 18.353 1.00 0.00 H ATOM 664 N ALA A 87 -9.431 8.438 15.622 1.00 46.82 N ATOM 665 CA ALA A 87 -9.669 9.548 14.689 1.00 47.32 C ATOM 666 C ALA A 87 -8.372 10.323 14.433 1.00 42.72 C ATOM 667 O ALA A 87 -8.025 10.618 13.275 1.00 44.31 O ATOM 668 CB ALA A 87 -10.746 10.452 15.234 1.00 49.75 C ATOM 669 H ALA A 87 -9.964 8.408 16.514 1.00 0.00 H ATOM 670 N TRP A 88 -7.666 10.641 15.523 1.00 43.12 N ATOM 671 CA TRP A 88 -6.441 11.413 15.467 1.00 41.64 C ATOM 672 C TRP A 88 -5.324 10.563 14.859 1.00 45.49 C ATOM 673 O TRP A 88 -4.567 11.073 14.054 1.00 46.47 O ATOM 674 CB TRP A 88 -6.081 11.980 16.846 1.00 42.85 C ATOM 675 CG TRP A 88 -6.816 13.253 17.145 1.00 42.82 C ATOM 676 CD1 TRP A 88 -7.722 13.484 18.139 1.00 42.33 C ATOM 677 CD2 TRP A 88 -6.760 14.466 16.375 1.00 42.02 C ATOM 678 NE1 TRP A 88 -8.196 14.765 18.068 1.00 43.17 N ATOM 679 CE2 TRP A 88 -7.627 15.391 16.994 1.00 42.02 C ATOM 680 CE3 TRP A 88 -6.031 14.866 15.253 1.00 44.03 C ATOM 681 CZ2 TRP A 88 -7.794 16.687 16.521 1.00 42.07 C ATOM 682 CZ3 TRP A 88 -6.202 16.148 14.778 1.00 49.04 C ATOM 683 CH2 TRP A 88 -7.079 17.040 15.403 1.00 46.54 C ATOM 684 HE1 TRP A 88 -8.879 15.194 18.725 1.00 0.00 H ATOM 685 H TRP A 88 -8.011 10.321 16.450 1.00 0.00 H ATOM 686 N THR A 89 -5.277 9.266 15.199 1.00 42.59 N ATOM 687 CA THR A 89 -4.367 8.311 14.548 1.00 44.27 C ATOM 688 C THR A 89 -4.557 8.341 13.022 1.00 41.10 C ATOM 689 O THR A 89 -3.602 8.428 12.291 1.00 44.26 O ATOM 690 CB THR A 89 -4.546 6.891 15.110 1.00 49.04 C ATOM 691 OG1 THR A 89 -4.404 6.987 16.524 1.00 43.17 O ATOM 692 CG2 THR A 89 -3.539 5.890 14.577 1.00 47.44 C ATOM 693 HG1 THR A 89 -5.096 7.597 16.883 1.00 0.00 H ATOM 694 H THR A 89 -5.908 8.923 15.951 1.00 0.00 H ATOM 695 N VAL A 90 -5.810 8.304 12.550 1.00 44.46 N ATOM 696 CA VAL A 90 -6.090 8.314 11.112 1.00 43.22 C ATOM 697 C VAL A 90 -5.642 9.658 10.511 1.00 43.39 C ATOM 698 O VAL A 90 -4.982 9.711 9.466 1.00 41.46 O ATOM 699 CB VAL A 90 -7.574 8.010 10.837 1.00 44.37 C ATOM 700 CG1 VAL A 90 -7.912 8.135 9.359 1.00 47.22 C ATOM 701 CG2 VAL A 90 -7.974 6.629 11.340 1.00 45.16 C ATOM 702 H VAL A 90 -6.604 8.267 13.221 1.00 0.00 H ATOM 703 N VAL A 91 -6.010 10.758 11.171 1.00 48.22 N ATOM 704 CA VAL A 91 -5.681 12.094 10.677 1.00 50.63 C ATOM 705 C VAL A 91 -4.153 12.243 10.601 1.00 48.06 C ATOM 706 O VAL A 91 -3.609 12.615 9.561 1.00 47.22 O ATOM 707 CB VAL A 91 -6.354 13.184 11.538 1.00 54.47 C ATOM 708 CG1 VAL A 91 -5.739 14.556 11.326 1.00 55.25 C ATOM 709 CG2 VAL A 91 -7.858 13.234 11.294 1.00 54.16 C ATOM 710 H VAL A 91 -6.544 10.662 12.058 1.00 0.00 H ATOM 711 N ASN A 92 -3.453 11.893 11.681 1.00 49.57 N ATOM 712 CA ASN A 92 -2.015 12.076 11.724 1.00 58.97 C ATOM 713 C ASN A 92 -1.394 11.241 10.607 1.00 64.03 C ATOM 714 O ASN A 92 -0.503 11.707 9.896 1.00 70.05 O ATOM 715 CB ASN A 92 -1.432 11.782 13.106 1.00 63.38 C ATOM 716 CG ASN A 92 -1.895 12.776 14.155 1.00 71.45 C ATOM 717 OD1 ASN A 92 -1.493 12.693 15.310 1.00 85.52 O ATOM 718 ND2 ASN A 92 -2.751 13.713 13.780 1.00 66.59 N ATOM 719 HD22 ASN A 92 -3.074 13.757 12.792 1.00 0.00 H ATOM 720 HD21 ASN A 92 -3.101 14.405 14.473 1.00 0.00 H ATOM 721 H ASN A 92 -3.944 11.484 12.502 1.00 0.00 H ATOM 722 N SER A 93 -1.933 10.040 10.405 1.00 60.19 N ATOM 723 CA SER A 93 -1.401 9.151 9.416 1.00 56.47 C ATOM 724 C SER A 93 -1.591 9.739 8.010 1.00 54.63 C ATOM 725 O SER A 93 -0.689 9.694 7.166 1.00 52.50 O ATOM 726 CB SER A 93 -2.016 7.798 9.551 1.00 57.72 C ATOM 727 OG SER A 93 -1.572 6.960 8.500 1.00 59.50 O ATOM 728 HG SER A 93 -1.984 6.065 8.597 1.00 0.00 H ATOM 729 H SER A 93 -2.752 9.743 10.973 1.00 0.00 H ATOM 730 N ILE A 94 -2.768 10.303 7.754 1.00 49.11 N ATOM 731 CA ILE A 94 -3.034 10.889 6.454 1.00 47.07 C ATOM 732 C ILE A 94 -2.075 12.062 6.217 1.00 45.97 C ATOM 733 O ILE A 94 -1.615 12.260 5.095 1.00 47.81 O ATOM 734 CB ILE A 94 -4.499 11.342 6.319 1.00 46.15 C ATOM 735 CG1 ILE A 94 -5.426 10.143 6.123 1.00 46.84 C ATOM 736 CG2 ILE A 94 -4.656 12.360 5.194 1.00 43.05 C ATOM 737 CD1 ILE A 94 -6.844 10.390 6.590 1.00 46.70 C ATOM 738 H ILE A 94 -3.502 10.324 8.490 1.00 0.00 H ATOM 739 N CYS A 95 -1.809 12.831 7.273 1.00 46.16 N ATOM 740 CA CYS A 95 -1.003 14.060 7.176 1.00 56.13 C ATOM 741 C CYS A 95 0.453 13.693 6.827 1.00 62.52 C ATOM 742 O CYS A 95 1.000 14.199 5.835 1.00 63.61 O ATOM 743 CB CYS A 95 -1.136 14.889 8.453 1.00 58.55 C ATOM 744 SG CYS A 95 -2.747 15.718 8.598 1.00 61.16 S ATOM 745 H CYS A 95 -2.185 12.552 8.202 1.00 0.00 H ATOM 746 N ASN A 96 1.035 12.747 7.585 1.00 62.08 N ATOM 747 CA ASN A 96 2.413 12.259 7.387 1.00 62.59 C ATOM 748 C ASN A 96 2.651 11.783 5.951 1.00 63.26 C ATOM 749 O ASN A 96 3.716 12.021 5.388 1.00 68.75 O ATOM 750 CB ASN A 96 2.756 11.122 8.344 1.00 64.03 C ATOM 751 CG ASN A 96 2.616 11.559 9.784 1.00 64.00 C ATOM 752 OD1 ASN A 96 2.658 12.752 10.073 1.00 64.71 O ATOM 753 ND2 ASN A 96 2.416 10.612 10.683 1.00 66.22 N ATOM 754 HD22 ASN A 96 2.388 9.614 10.390 1.00 0.00 H ATOM 755 HD21 ASN A 96 2.286 10.864 11.684 1.00 0.00 H ATOM 756 H ASN A 96 0.478 12.333 8.360 1.00 0.00 H ATOM 757 N THR A 97 1.662 11.121 5.359 1.00 59.46 N ATOM 758 CA THR A 97 1.874 10.477 4.097 1.00 59.32 C ATOM 759 C THR A 97 1.443 11.367 2.928 1.00 60.68 C ATOM 760 O THR A 97 1.745 11.029 1.803 1.00 73.72 O ATOM 761 CB THR A 97 1.176 9.117 4.081 1.00 58.10 C ATOM 762 OG1 THR A 97 -0.224 9.324 3.914 1.00 59.58 O ATOM 763 CG2 THR A 97 1.451 8.338 5.348 1.00 61.19 C ATOM 764 HG1 THR A 97 -0.568 9.870 4.665 1.00 0.00 H ATOM 765 H THR A 97 0.729 11.070 5.815 1.00 0.00 H ATOM 766 N THR A 98 0.731 12.473 3.177 1.00 60.92 N ATOM 767 CA THR A 98 0.274 13.337 2.070 1.00 60.23 C ATOM 768 C THR A 98 0.968 14.706 2.083 1.00 62.55 C ATOM 769 O THR A 98 1.152 15.302 1.022 1.00 72.27 O ATOM 770 CB THR A 98 -1.242 13.531 2.096 1.00 61.10 C ATOM 771 OG1 THR A 98 -1.570 14.165 3.334 1.00 51.64 O ATOM 772 CG2 THR A 98 -1.976 12.219 1.925 1.00 65.47 C ATOM 773 HG1 THR A 98 -1.281 13.589 4.085 1.00 0.00 H ATOM 774 H THR A 98 0.498 12.726 4.158 1.00 0.00 H ATOM 775 N GLY A 99 1.342 15.187 3.274 1.00 55.80 N ATOM 776 CA GLY A 99 1.875 16.515 3.470 1.00 60.53 C ATOM 777 C GLY A 99 0.817 17.471 4.002 1.00 66.75 C ATOM 778 O GLY A 99 1.163 18.503 4.568 1.00 68.55 O ATOM 779 H GLY A 99 1.243 14.570 4.105 1.00 0.00 H ATOM 780 N VAL A 100 -0.465 17.104 3.829 1.00 69.90 N ATOM 781 CA VAL A 100 -1.642 17.911 4.204 1.00 62.37 C ATOM 782 C VAL A 100 -1.504 18.372 5.661 1.00 59.53 C ATOM 783 O VAL A 100 -1.210 17.584 6.567 1.00 54.65 O ATOM 784 CB VAL A 100 -2.951 17.126 3.988 1.00 67.05 C ATOM 785 CG1 VAL A 100 -4.166 17.876 4.524 1.00 72.95 C ATOM 786 CG2 VAL A 100 -3.168 16.757 2.524 1.00 62.60 C ATOM 787 H VAL A 100 -0.641 16.175 3.395 1.00 0.00 H ATOM 788 N GLU A 101 -1.723 19.673 5.869 1.00 58.42 N ATOM 789 CA GLU A 101 -1.705 20.314 7.182 1.00 53.40 C ATOM 790 C GLU A 101 -2.746 19.646 8.083 1.00 49.04 C ATOM 791 O GLU A 101 -3.770 19.191 7.611 1.00 48.43 O ATOM 792 CB GLU A 101 -2.003 21.805 7.007 1.00 62.27 C ATOM 793 CG GLU A 101 -1.977 22.624 8.289 1.00 63.28 C ATOM 794 CD GLU A 101 -2.254 24.090 8.014 1.00 66.94 C ATOM 795 OE1 GLU A 101 -3.361 24.567 8.353 1.00 63.83 O ATOM 796 OE2 GLU A 101 -1.380 24.738 7.410 1.00 69.32 O ATOM 797 H GLU A 101 -1.920 20.270 5.041 1.00 0.00 H ATOM 798 N LYS A 102 -2.458 19.609 9.383 1.00 53.42 N ATOM 799 CA LYS A 102 -3.318 18.982 10.367 1.00 60.19 C ATOM 800 C LYS A 102 -4.415 19.956 10.775 1.00 61.33 C ATOM 801 O LYS A 102 -4.122 21.079 11.159 1.00 55.57 O ATOM 802 CB LYS A 102 -2.515 18.569 11.604 1.00 61.52 C ATOM 803 CG LYS A 102 -1.733 17.271 11.452 1.00 66.26 C ATOM 804 CD LYS A 102 -0.815 16.973 12.613 1.00 69.15 C ATOM 805 CE LYS A 102 -1.535 17.072 13.941 1.00 76.73 C ATOM 806 NZ LYS A 102 -0.877 16.259 14.989 1.00 80.64 N ATOM 807 HZ1 LYS A 102 -0.868 15.261 14.697 1.00 0.00 H ATOM 808 HZ2 LYS A 102 0.099 16.592 15.122 1.00 0.00 H ATOM 809 HZ3 LYS A 102 -1.402 16.355 15.882 1.00 0.00 H ATOM 810 H LYS A 102 -1.574 20.051 9.707 1.00 0.00 H ATOM 811 N PRO A 103 -5.700 19.543 10.767 1.00 62.75 N ATOM 812 CA PRO A 103 -6.776 20.391 11.274 1.00 61.28 C ATOM 813 C PRO A 103 -6.744 20.433 12.807 1.00 60.77 C ATOM 814 O PRO A 103 -6.156 19.552 13.425 1.00 61.33 O ATOM 815 CB PRO A 103 -8.024 19.660 10.769 1.00 64.73 C ATOM 816 CG PRO A 103 -7.619 18.202 10.837 1.00 62.93 C ATOM 817 CD PRO A 103 -6.182 18.214 10.351 1.00 63.58 C ATOM 818 N LYS A 104 -7.382 21.445 13.398 1.00 62.33 N ATOM 819 CA LYS A 104 -7.455 21.581 14.852 1.00 66.10 C ATOM 820 C LYS A 104 -8.640 20.784 15.383 1.00 64.25 C ATOM 821 O LYS A 104 -8.625 20.307 16.505 1.00 67.94 O ATOM 822 CB LYS A 104 -7.628 23.040 15.276 1.00 68.82 C ATOM 823 CG LYS A 104 -6.360 23.875 15.201 1.00 75.52 C ATOM 824 CD LYS A 104 -6.098 24.479 13.832 1.00 80.10 C ATOM 825 CE LYS A 104 -5.542 25.891 13.903 1.00 79.42 C ATOM 826 NZ LYS A 104 -5.508 26.547 12.574 1.00 73.32 N ATOM 827 HZ1 LYS A 104 -4.906 25.994 11.931 1.00 0.00 H ATOM 828 HZ2 LYS A 104 -6.473 26.598 12.189 1.00 0.00 H ATOM 829 HZ3 LYS A 104 -5.122 27.507 12.673 1.00 0.00 H ATOM 830 H LYS A 104 -7.844 22.162 12.803 1.00 0.00 H ATOM 831 N PHE A 105 -9.687 20.715 14.567 1.00 62.66 N ATOM 832 CA PHE A 105 -10.861 19.956 14.854 1.00 58.82 C ATOM 833 C PHE A 105 -10.816 18.672 14.017 1.00 55.38 C ATOM 834 O PHE A 105 -10.319 18.662 12.899 1.00 52.06 O ATOM 835 CB PHE A 105 -12.092 20.810 14.543 1.00 65.43 C ATOM 836 CG PHE A 105 -12.382 21.916 15.532 1.00 74.45 C ATOM 837 CD1 PHE A 105 -12.960 21.636 16.763 1.00 78.46 C ATOM 838 CD2 PHE A 105 -12.130 23.245 15.218 1.00 77.29 C ATOM 839 CE1 PHE A 105 -13.264 22.651 17.661 1.00 80.35 C ATOM 840 CE2 PHE A 105 -12.431 24.258 16.118 1.00 77.07 C ATOM 841 CZ PHE A 105 -12.998 23.961 17.338 1.00 73.70 C ATOM 842 H PHE A 105 -9.649 21.242 13.671 1.00 0.00 H ATOM 843 N LEU A 106 -11.335 17.587 14.577 1.00 46.36 N ATOM 844 CA LEU A 106 -11.537 16.396 13.829 1.00 43.20 C ATOM 845 C LEU A 106 -12.572 16.659 12.744 1.00 39.12 C ATOM 846 O LEU A 106 -13.701 17.000 13.035 1.00 39.27 O ATOM 847 CB LEU A 106 -12.010 15.305 14.785 1.00 43.74 C ATOM 848 CG LEU A 106 -10.887 14.666 15.591 1.00 46.00 C ATOM 849 CD1 LEU A 106 -11.454 13.674 16.584 1.00 43.63 C ATOM 850 CD2 LEU A 106 -9.859 13.993 14.690 1.00 48.90 C ATOM 851 H LEU A 106 -11.599 17.609 15.583 1.00 0.00 H ATOM 852 N PRO A 107 -12.226 16.527 11.452 1.00 38.41 N ATOM 853 CA PRO A 107 -13.206 16.607 10.385 1.00 35.54 C ATOM 854 C PRO A 107 -13.978 15.288 10.328 1.00 34.67 C ATOM 855 O PRO A 107 -13.794 14.460 11.185 1.00 29.15 O ATOM 856 CB PRO A 107 -12.363 16.805 9.113 1.00 37.68 C ATOM 857 CG PRO A 107 -10.974 17.046 9.598 1.00 41.33 C ATOM 858 CD PRO A 107 -10.867 16.348 10.931 1.00 41.30 C ATOM 859 N ASP A 108 -14.795 15.113 9.284 1.00 36.13 N ATOM 860 CA ASP A 108 -15.698 13.982 9.181 1.00 38.12 C ATOM 861 C ASP A 108 -15.112 12.901 8.261 1.00 41.91 C ATOM 862 O ASP A 108 -15.243 11.745 8.572 1.00 40.63 O ATOM 863 CB ASP A 108 -17.063 14.453 8.702 1.00 38.25 C ATOM 864 CG ASP A 108 -17.849 15.184 9.779 1.00 40.62 C ATOM 865 OD1 ASP A 108 -17.894 14.683 10.919 1.00 39.57 O ATOM 866 OD2 ASP A 108 -18.419 16.237 9.468 1.00 42.52 O ATOM 867 H ASP A 108 -14.783 15.815 8.516 1.00 0.00 H ATOM 868 N LEU A 109 -14.521 13.301 7.124 1.00 41.42 N ATOM 869 CA LEU A 109 -13.931 12.386 6.108 1.00 44.77 C ATOM 870 C LEU A 109 -12.628 12.995 5.583 1.00 47.55 C ATOM 871 O LEU A 109 -12.347 14.197 5.762 1.00 45.85 O ATOM 872 CB LEU A 109 -14.854 12.171 4.895 1.00 45.56 C ATOM 873 CG LEU A 109 -16.332 11.877 5.160 1.00 50.05 C ATOM 874 CD1 LEU A 109 -17.175 12.208 3.951 1.00 52.61 C ATOM 875 CD2 LEU A 109 -16.550 10.432 5.542 1.00 51.94 C ATOM 876 H LEU A 109 -14.472 14.323 6.939 1.00 0.00 H ATOM 877 N TYR A 110 -11.852 12.150 4.894 1.00 54.17 N ATOM 878 CA TYR A 110 -10.773 12.605 4.013 1.00 49.71 C ATOM 879 C TYR A 110 -11.064 12.066 2.612 1.00 50.46 C ATOM 880 O TYR A 110 -11.583 10.970 2.490 1.00 45.57 O ATOM 881 CB TYR A 110 -9.409 12.181 4.554 1.00 50.44 C ATOM 882 CG TYR A 110 -8.250 12.668 3.726 1.00 53.56 C ATOM 883 CD1 TYR A 110 -7.785 13.964 3.847 1.00 56.22 C ATOM 884 CD2 TYR A 110 -7.620 11.839 2.806 1.00 52.40 C ATOM 885 CE1 TYR A 110 -6.724 14.428 3.083 1.00 55.73 C ATOM 886 CE2 TYR A 110 -6.550 12.283 2.046 1.00 51.56 C ATOM 887 CZ TYR A 110 -6.104 13.589 2.175 1.00 51.52 C ATOM 888 OH TYR A 110 -5.053 14.051 1.429 1.00 52.53 O ATOM 889 HH TYR A 110 -5.275 13.976 0.467 1.00 0.00 H ATOM 890 H TYR A 110 -12.022 11.128 4.988 1.00 0.00 H ATOM 891 N ASP A 111 -10.785 12.893 1.595 1.00 48.68 N ATOM 892 CA ASP A 111 -10.993 12.585 0.197 1.00 49.45 C ATOM 893 C ASP A 111 -9.615 12.346 -0.421 1.00 52.68 C ATOM 894 O ASP A 111 -8.815 13.271 -0.529 1.00 48.40 O ATOM 895 CB ASP A 111 -11.741 13.732 -0.481 1.00 50.54 C ATOM 896 CG ASP A 111 -12.152 13.492 -1.925 1.00 52.89 C ATOM 897 OD1 ASP A 111 -11.615 12.564 -2.554 1.00 55.55 O ATOM 898 OD2 ASP A 111 -13.000 14.256 -2.420 1.00 52.94 O ATOM 899 H ASP A 111 -10.389 13.826 1.828 1.00 0.00 H ATOM 900 N TYR A 112 -9.324 11.093 -0.784 1.00 57.29 N ATOM 901 CA TYR A 112 -8.002 10.734 -1.338 1.00 55.81 C ATOM 902 C TYR A 112 -7.880 11.181 -2.806 1.00 51.06 C ATOM 903 O TYR A 112 -6.780 11.323 -3.327 1.00 67.74 O ATOM 904 CB TYR A 112 -7.759 9.230 -1.231 1.00 50.99 C ATOM 905 CG TYR A 112 -7.563 8.682 0.159 1.00 45.67 C ATOM 906 CD1 TYR A 112 -6.407 8.938 0.878 1.00 43.84 C ATOM 907 CD2 TYR A 112 -8.487 7.812 0.704 1.00 41.79 C ATOM 908 CE1 TYR A 112 -6.208 8.401 2.138 1.00 42.38 C ATOM 909 CE2 TYR A 112 -8.304 7.271 1.961 1.00 43.14 C ATOM 910 CZ TYR A 112 -7.164 7.565 2.679 1.00 42.77 C ATOM 911 OH TYR A 112 -7.023 7.017 3.917 1.00 45.07 O ATOM 912 HH TYR A 112 -7.772 7.311 4.494 1.00 0.00 H ATOM 913 H TYR A 112 -10.046 10.352 -0.674 1.00 0.00 H ATOM 914 N LYS A 113 -9.008 11.422 -3.470 1.00 49.19 N ATOM 915 CA LYS A 113 -9.005 11.910 -4.845 1.00 50.52 C ATOM 916 C LYS A 113 -8.694 13.410 -4.917 1.00 54.62 C ATOM 917 O LYS A 113 -7.918 13.817 -5.756 1.00 61.24 O ATOM 918 CB LYS A 113 -10.354 11.632 -5.494 1.00 51.94 C ATOM 919 CG LYS A 113 -10.540 12.212 -6.879 1.00 54.37 C ATOM 920 CD LYS A 113 -11.734 11.621 -7.560 1.00 56.57 C ATOM 921 CE LYS A 113 -12.382 12.567 -8.547 1.00 62.66 C ATOM 922 NZ LYS A 113 -13.191 11.807 -9.530 1.00 66.38 N ATOM 923 HZ1 LYS A 113 -12.576 11.145 -10.045 1.00 0.00 H ATOM 924 HZ2 LYS A 113 -13.932 11.276 -9.030 1.00 0.00 H ATOM 925 HZ3 LYS A 113 -13.630 12.469 -10.201 1.00 0.00 H ATOM 926 H LYS A 113 -9.918 11.258 -2.995 1.00 0.00 H ATOM 927 N GLU A 114 -9.336 14.226 -4.071 1.00 55.03 N ATOM 928 CA GLU A 114 -9.102 15.679 -4.025 1.00 50.90 C ATOM 929 C GLU A 114 -8.024 16.021 -2.990 1.00 52.37 C ATOM 930 O GLU A 114 -7.536 17.147 -2.944 1.00 53.32 O ATOM 931 CB GLU A 114 -10.401 16.409 -3.696 1.00 51.66 C ATOM 932 CG GLU A 114 -11.533 16.075 -4.641 1.00 51.66 C ATOM 933 CD GLU A 114 -11.250 16.394 -6.099 1.00 61.55 C ATOM 934 OE1 GLU A 114 -10.531 17.375 -6.362 1.00 58.98 O ATOM 935 OE2 GLU A 114 -11.728 15.635 -6.979 1.00 75.98 O ATOM 936 H GLU A 114 -10.032 13.815 -3.417 1.00 0.00 H ATOM 937 N ASN A 115 -7.669 15.043 -2.153 1.00 53.42 N ATOM 938 CA ASN A 115 -6.613 15.173 -1.143 1.00 57.42 C ATOM 939 C ASN A 115 -6.923 16.357 -0.221 1.00 54.15 C ATOM 940 O ASN A 115 -6.116 17.252 -0.048 1.00 56.62 O ATOM 941 CB ASN A 115 -5.232 15.260 -1.795 1.00 58.34 C ATOM 942 CG ASN A 115 -4.798 13.928 -2.369 1.00 66.48 C ATOM 943 OD1 ASN A 115 -4.440 13.013 -1.622 1.00 64.26 O ATOM 944 ND2 ASN A 115 -4.850 13.808 -3.688 1.00 63.72 N ATOM 945 HD22 ASN A 115 -5.159 14.611 -4.271 1.00 0.00 H ATOM 946 HD21 ASN A 115 -4.582 12.910 -4.139 1.00 0.00 H ATOM 947 H ASN A 115 -8.171 14.135 -2.221 1.00 0.00 H ATOM 948 N ARG A 116 -8.112 16.332 0.381 1.00 50.96 N ATOM 949 CA ARG A 116 -8.531 17.331 1.348 1.00 44.38 C ATOM 950 C ARG A 116 -9.474 16.655 2.323 1.00 41.56 C ATOM 951 O ARG A 116 -10.212 15.785 1.918 1.00 49.60 O ATOM 952 CB ARG A 116 -9.245 18.503 0.665 1.00 45.53 C ATOM 953 CG ARG A 116 -10.536 18.146 -0.064 1.00 45.92 C ATOM 954 CD ARG A 116 -10.868 19.105 -1.196 1.00 45.88 C ATOM 955 NE ARG A 116 -12.047 18.666 -1.920 1.00 47.81 N ATOM 956 CZ ARG A 116 -12.541 19.236 -3.016 1.00 49.49 C ATOM 957 NH1 ARG A 116 -11.889 20.205 -3.626 1.00 53.10 N ATOM 958 NH2 ARG A 116 -13.700 18.839 -3.507 1.00 47.31 N ATOM 959 HE ARG A 116 -12.549 17.834 -1.550 1.00 0.00 H ATOM 960 HH12 ARG A 116 -12.287 20.641 -4.482 1.00 0.00 H ATOM 961 HH11 ARG A 116 -10.976 20.534 -3.252 1.00 0.00 H ATOM 962 HH22 ARG A 116 -14.083 19.287 -4.364 1.00 0.00 H ATOM 963 HH21 ARG A 116 -14.231 18.078 -3.037 1.00 0.00 H ATOM 964 H ARG A 116 -8.770 15.561 0.147 1.00 0.00 H ATOM 965 N PHE A 117 -9.442 17.083 3.583 1.00 42.22 N ATOM 966 CA PHE A 117 -10.478 16.729 4.535 1.00 42.65 C ATOM 967 C PHE A 117 -11.797 17.405 4.173 1.00 44.24 C ATOM 968 O PHE A 117 -11.829 18.459 3.511 1.00 46.76 O ATOM 969 CB PHE A 117 -10.084 17.127 5.947 1.00 41.65 C ATOM 970 CG PHE A 117 -8.875 16.388 6.426 1.00 44.86 C ATOM 971 CD1 PHE A 117 -9.005 15.161 7.049 1.00 49.12 C ATOM 972 CD2 PHE A 117 -7.614 16.917 6.247 1.00 45.08 C ATOM 973 CE1 PHE A 117 -7.886 14.484 7.500 1.00 50.56 C ATOM 974 CE2 PHE A 117 -6.497 16.234 6.692 1.00 49.77 C ATOM 975 CZ PHE A 117 -6.635 15.017 7.311 1.00 50.42 C ATOM 976 H PHE A 117 -8.654 17.687 3.893 1.00 0.00 H ATOM 977 N ILE A 118 -12.883 16.776 4.638 1.00 41.52 N ATOM 978 CA ILE A 118 -14.228 17.257 4.431 1.00 43.78 C ATOM 979 C ILE A 118 -14.913 17.370 5.793 1.00 42.78 C ATOM 980 O ILE A 118 -14.852 16.462 6.599 1.00 38.09 O ATOM 981 CB ILE A 118 -15.004 16.306 3.495 1.00 47.31 C ATOM 982 CG1 ILE A 118 -14.305 16.140 2.144 1.00 48.15 C ATOM 983 CG2 ILE A 118 -16.450 16.749 3.336 1.00 41.12 C ATOM 984 CD1 ILE A 118 -14.887 15.022 1.304 1.00 53.54 C ATOM 985 H ILE A 118 -12.751 15.896 5.176 1.00 0.00 H ATOM 986 N GLU A 119 -15.583 18.500 6.019 1.00 41.61 N ATOM 987 CA GLU A 119 -16.505 18.621 7.113 1.00 38.72 C ATOM 988 C GLU A 119 -17.923 18.559 6.546 1.00 37.06 C ATOM 989 O GLU A 119 -18.262 19.323 5.662 1.00 39.80 O ATOM 990 CB GLU A 119 -16.310 19.943 7.854 1.00 40.93 C ATOM 991 CG GLU A 119 -17.426 20.208 8.856 1.00 40.13 C ATOM 992 CD GLU A 119 -17.452 19.188 9.969 1.00 39.47 C ATOM 993 OE1 GLU A 119 -16.352 18.711 10.340 1.00 36.11 O ATOM 994 OE2 GLU A 119 -18.556 18.863 10.445 1.00 38.53 O ATOM 995 H GLU A 119 -15.434 19.313 5.388 1.00 0.00 H ATOM 996 N ILE A 120 -18.747 17.678 7.122 1.00 35.54 N ATOM 997 CA ILE A 120 -20.083 17.488 6.731 1.00 35.02 C ATOM 998 C ILE A 120 -20.999 18.196 7.732 1.00 38.00 C ATOM 999 O ILE A 120 -20.977 17.856 8.920 1.00 36.25 O ATOM 1000 CB ILE A 120 -20.433 15.988 6.701 1.00 41.08 C ATOM 1001 CG1 ILE A 120 -19.568 15.197 5.718 1.00 44.43 C ATOM 1002 CG2 ILE A 120 -21.920 15.814 6.442 1.00 37.11 C ATOM 1003 CD1 ILE A 120 -20.005 15.312 4.286 1.00 47.53 C ATOM 1004 H ILE A 120 -18.378 17.100 7.904 1.00 0.00 H ATOM 1005 N GLY A 121 -21.892 19.050 7.214 1.00 35.29 N ATOM 1006 CA GLY A 121 -22.930 19.669 8.018 1.00 33.73 C ATOM 1007 C GLY A 121 -24.297 19.201 7.597 1.00 33.84 C ATOM 1008 O GLY A 121 -24.552 19.042 6.434 1.00 36.36 O ATOM 1009 H GLY A 121 -21.840 19.277 6.201 1.00 0.00 H ATOM 1010 N VAL A 122 -25.147 18.912 8.584 1.00 35.84 N ATOM 1011 CA VAL A 122 -26.549 18.614 8.376 1.00 34.25 C ATOM 1012 C VAL A 122 -27.329 19.582 9.277 1.00 35.66 C ATOM 1013 O VAL A 122 -27.086 19.581 10.482 1.00 35.88 O ATOM 1014 CB VAL A 122 -26.871 17.144 8.721 1.00 34.10 C ATOM 1015 CG1 VAL A 122 -28.365 16.856 8.666 1.00 32.30 C ATOM 1016 CG2 VAL A 122 -26.103 16.146 7.851 1.00 33.98 C ATOM 1017 H VAL A 122 -24.782 18.900 9.558 1.00 0.00 H ATOM 1018 N THR A 123 -28.233 20.388 8.697 1.00 32.92 N ATOM 1019 CA THR A 123 -28.890 21.490 9.414 1.00 37.46 C ATOM 1020 C THR A 123 -30.389 21.541 9.117 1.00 36.22 C ATOM 1021 O THR A 123 -30.845 21.256 8.012 1.00 39.91 O ATOM 1022 CB THR A 123 -28.287 22.870 9.074 1.00 39.61 C ATOM 1023 OG1 THR A 123 -28.974 23.883 9.821 1.00 41.36 O ATOM 1024 CG2 THR A 123 -28.390 23.211 7.606 1.00 40.06 C ATOM 1025 HG1 THR A 123 -28.871 23.705 10.789 1.00 0.00 H ATOM 1026 H THR A 123 -28.478 20.226 7.699 1.00 0.00 H ATOM 1027 N ARG A 124 -31.139 21.986 10.126 1.00 39.10 N ATOM 1028 CA ARG A 124 -32.547 22.283 10.012 1.00 35.66 C ATOM 1029 C ARG A 124 -32.746 23.738 9.579 1.00 38.51 C ATOM 1030 O ARG A 124 -33.844 24.112 9.268 1.00 42.49 O ATOM 1031 CB ARG A 124 -33.250 22.037 11.350 1.00 38.70 C ATOM 1032 CG ARG A 124 -33.345 20.567 11.719 1.00 39.80 C ATOM 1033 CD ARG A 124 -32.157 20.093 12.525 1.00 40.81 C ATOM 1034 NE ARG A 124 -32.428 20.204 13.941 1.00 38.45 N ATOM 1035 CZ ARG A 124 -31.596 19.832 14.899 1.00 42.25 C ATOM 1036 NH1 ARG A 124 -30.318 19.605 14.639 1.00 37.56 N ATOM 1037 NH2 ARG A 124 -32.052 19.713 16.132 1.00 49.95 N ATOM 1038 HE ARG A 124 -33.344 20.606 14.227 1.00 0.00 H ATOM 1039 HH12 ARG A 124 -29.676 19.313 15.403 1.00 0.00 H ATOM 1040 HH11 ARG A 124 -29.956 19.719 13.671 1.00 0.00 H ATOM 1041 HH22 ARG A 124 -31.411 19.421 16.898 1.00 0.00 H ATOM 1042 HH21 ARG A 124 -33.052 19.911 16.338 1.00 0.00 H ATOM 1043 H ARG A 124 -30.682 22.127 11.050 1.00 0.00 H ATOM 1044 N ARG A 125 -31.688 24.553 9.605 1.00 40.97 N ATOM 1045 CA ARG A 125 -31.768 25.938 9.150 1.00 41.05 C ATOM 1046 C ARG A 125 -31.355 26.010 7.678 1.00 44.45 C ATOM 1047 O ARG A 125 -31.127 24.963 7.012 1.00 43.64 O ATOM 1048 CB ARG A 125 -30.862 26.811 10.013 1.00 41.15 C ATOM 1049 CG ARG A 125 -31.302 26.904 11.462 1.00 40.91 C ATOM 1050 CD ARG A 125 -30.173 27.498 12.266 1.00 43.44 C ATOM 1051 NE ARG A 125 -29.131 26.538 12.572 1.00 45.26 N ATOM 1052 CZ ARG A 125 -27.894 26.873 12.918 1.00 45.97 C ATOM 1053 NH1 ARG A 125 -27.522 28.133 12.816 1.00 46.23 N ATOM 1054 NH2 ARG A 125 -27.035 25.962 13.342 1.00 42.25 N ATOM 1055 HE ARG A 125 -29.367 25.527 12.517 1.00 0.00 H ATOM 1056 HH12 ARG A 125 -26.557 28.413 13.083 1.00 0.00 H ATOM 1057 HH11 ARG A 125 -28.194 28.847 12.469 1.00 0.00 H ATOM 1058 HH22 ARG A 125 -26.070 26.242 13.609 1.00 0.00 H ATOM 1059 HH21 ARG A 125 -27.325 24.965 13.409 1.00 0.00 H ATOM 1060 H ARG A 125 -30.780 24.190 9.960 1.00 0.00 H ATOM 1061 N GLU A 126 -31.296 27.239 7.172 1.00 42.82 N ATOM 1062 CA GLU A 126 -30.858 27.529 5.818 1.00 46.91 C ATOM 1063 C GLU A 126 -29.381 27.175 5.693 1.00 43.01 C ATOM 1064 O GLU A 126 -28.607 27.410 6.600 1.00 42.44 O ATOM 1065 CB GLU A 126 -31.071 28.997 5.465 1.00 55.15 C ATOM 1066 CG GLU A 126 -32.535 29.364 5.255 1.00 64.34 C ATOM 1067 CD GLU A 126 -32.769 30.867 5.250 1.00 74.68 C ATOM 1068 OE1 GLU A 126 -32.676 31.477 6.331 1.00 80.52 O ATOM 1069 OE2 GLU A 126 -32.990 31.432 4.157 1.00 94.32 O ATOM 1070 H GLU A 126 -31.579 28.035 7.779 1.00 0.00 H ATOM 1071 N VAL A 127 -29.038 26.582 4.549 1.00 39.58 N ATOM 1072 CA VAL A 127 -27.748 25.986 4.327 1.00 41.81 C ATOM 1073 C VAL A 127 -26.660 27.071 4.388 1.00 43.62 C ATOM 1074 O VAL A 127 -25.620 26.841 5.022 1.00 45.52 O ATOM 1075 CB VAL A 127 -27.711 25.161 3.012 1.00 44.71 C ATOM 1076 CG1 VAL A 127 -28.470 23.838 3.160 1.00 43.78 C ATOM 1077 CG2 VAL A 127 -28.229 25.914 1.786 1.00 42.25 C ATOM 1078 H VAL A 127 -29.737 26.549 3.780 1.00 0.00 H ATOM 1079 N HIS A 128 -26.902 28.241 3.772 1.00 40.84 N ATOM 1080 CA HIS A 128 -25.910 29.352 3.788 1.00 46.07 C ATOM 1081 C HIS A 128 -25.638 29.767 5.239 1.00 42.96 C ATOM 1082 O HIS A 128 -24.486 29.979 5.608 1.00 38.43 O ATOM 1083 CB HIS A 128 -26.322 30.526 2.872 1.00 49.55 C ATOM 1084 CG HIS A 128 -27.416 31.374 3.420 1.00 55.76 C ATOM 1085 ND1 HIS A 128 -28.757 31.088 3.197 1.00 60.39 N ATOM 1086 CD2 HIS A 128 -27.380 32.480 4.197 1.00 60.50 C ATOM 1087 CE1 HIS A 128 -29.500 31.987 3.810 1.00 58.13 C ATOM 1088 NE2 HIS A 128 -28.678 32.846 4.442 1.00 60.89 N ATOM 1089 H HIS A 128 -27.804 28.374 3.272 1.00 0.00 H ATOM 1090 N ILE A 129 -26.686 29.803 6.067 1.00 43.50 N ATOM 1091 CA ILE A 129 -26.532 30.149 7.489 1.00 48.19 C ATOM 1092 C ILE A 129 -25.563 29.174 8.172 1.00 46.75 C ATOM 1093 O ILE A 129 -24.600 29.612 8.810 1.00 45.01 O ATOM 1094 CB ILE A 129 -27.908 30.217 8.184 1.00 51.83 C ATOM 1095 CG1 ILE A 129 -28.607 31.548 7.874 1.00 59.37 C ATOM 1096 CG2 ILE A 129 -27.794 29.979 9.682 1.00 49.73 C ATOM 1097 CD1 ILE A 129 -30.055 31.626 8.330 1.00 59.33 C ATOM 1098 H ILE A 129 -27.633 29.581 5.698 1.00 0.00 H ATOM 1099 N TYR A 130 -25.822 27.862 8.038 1.00 43.47 N ATOM 1100 CA TYR A 130 -25.013 26.837 8.733 1.00 41.52 C ATOM 1101 C TYR A 130 -23.617 26.812 8.108 1.00 36.98 C ATOM 1102 O TYR A 130 -22.605 26.671 8.808 1.00 38.62 O ATOM 1103 CB TYR A 130 -25.684 25.450 8.704 1.00 43.07 C ATOM 1104 CG TYR A 130 -25.074 24.411 9.615 1.00 41.49 C ATOM 1105 CD1 TYR A 130 -24.774 24.702 10.942 1.00 42.26 C ATOM 1106 CD2 TYR A 130 -24.839 23.113 9.176 1.00 45.04 C ATOM 1107 CE1 TYR A 130 -24.228 23.755 11.793 1.00 42.84 C ATOM 1108 CE2 TYR A 130 -24.304 22.146 10.020 1.00 43.54 C ATOM 1109 CZ TYR A 130 -23.997 22.464 11.337 1.00 43.57 C ATOM 1110 OH TYR A 130 -23.456 21.526 12.175 1.00 38.62 O ATOM 1111 HH TYR A 130 -24.079 20.761 12.259 1.00 0.00 H ATOM 1112 H TYR A 130 -26.611 27.560 7.431 1.00 0.00 H ATOM 1113 N TYR A 131 -23.558 26.975 6.786 1.00 36.51 N ATOM 1114 CA TYR A 131 -22.282 27.011 6.092 1.00 38.89 C ATOM 1115 C TYR A 131 -21.367 28.078 6.718 1.00 45.14 C ATOM 1116 O TYR A 131 -20.155 27.878 6.859 1.00 46.49 O ATOM 1117 CB TYR A 131 -22.460 27.283 4.592 1.00 41.83 C ATOM 1118 CG TYR A 131 -21.143 27.270 3.850 1.00 45.79 C ATOM 1119 CD1 TYR A 131 -20.278 28.353 3.901 1.00 46.98 C ATOM 1120 CD2 TYR A 131 -20.714 26.138 3.173 1.00 46.09 C ATOM 1121 CE1 TYR A 131 -19.051 28.338 3.253 1.00 45.32 C ATOM 1122 CE2 TYR A 131 -19.482 26.096 2.541 1.00 44.34 C ATOM 1123 CZ TYR A 131 -18.648 27.202 2.578 1.00 46.84 C ATOM 1124 OH TYR A 131 -17.442 27.182 1.936 1.00 55.91 O ATOM 1125 HH TYR A 131 -16.884 26.453 2.307 1.00 0.00 H ATOM 1126 H TYR A 131 -24.439 27.078 6.243 1.00 0.00 H ATOM 1127 N LEU A 132 -21.939 29.247 7.023 1.00 43.47 N ATOM 1128 CA LEU A 132 -21.175 30.344 7.577 1.00 45.64 C ATOM 1129 C LEU A 132 -20.664 29.955 8.957 1.00 39.85 C ATOM 1130 O LEU A 132 -19.489 30.141 9.247 1.00 44.52 O ATOM 1131 CB LEU A 132 -22.057 31.597 7.643 1.00 46.64 C ATOM 1132 CG LEU A 132 -22.231 32.295 6.299 1.00 46.98 C ATOM 1133 CD1 LEU A 132 -23.299 33.374 6.376 1.00 49.65 C ATOM 1134 CD2 LEU A 132 -20.899 32.865 5.838 1.00 50.21 C ATOM 1135 H LEU A 132 -22.958 29.371 6.858 1.00 0.00 H ATOM 1136 N GLU A 133 -21.573 29.444 9.788 1.00 40.50 N ATOM 1137 CA GLU A 133 -21.217 28.997 11.101 1.00 45.73 C ATOM 1138 C GLU A 133 -19.973 28.105 11.032 1.00 46.82 C ATOM 1139 O GLU A 133 -19.006 28.331 11.761 1.00 42.27 O ATOM 1140 CB GLU A 133 -22.370 28.228 11.727 1.00 52.30 C ATOM 1141 CG GLU A 133 -23.251 29.077 12.597 1.00 53.44 C ATOM 1142 CD GLU A 133 -24.047 28.267 13.597 1.00 58.95 C ATOM 1143 OE1 GLU A 133 -25.084 28.765 14.049 1.00 68.99 O ATOM 1144 OE2 GLU A 133 -23.624 27.149 13.928 1.00 64.61 O ATOM 1145 H GLU A 133 -22.562 29.368 9.476 1.00 0.00 H ATOM 1146 N LYS A 134 -20.021 27.098 10.141 1.00 47.35 N ATOM 1147 CA LYS A 134 -18.969 26.114 10.001 1.00 43.72 C ATOM 1148 C LYS A 134 -17.699 26.767 9.472 1.00 44.65 C ATOM 1149 O LYS A 134 -16.623 26.490 9.960 1.00 43.99 O ATOM 1150 CB LYS A 134 -19.340 25.015 9.000 1.00 46.16 C ATOM 1151 CG LYS A 134 -20.279 23.950 9.544 1.00 50.02 C ATOM 1152 CD LYS A 134 -19.610 22.993 10.487 1.00 46.97 C ATOM 1153 CE LYS A 134 -20.442 21.762 10.744 1.00 45.65 C ATOM 1154 NZ LYS A 134 -19.838 20.950 11.820 1.00 48.03 N ATOM 1155 HZ1 LYS A 134 -18.880 20.660 11.538 1.00 0.00 H ATOM 1156 HZ2 LYS A 134 -19.788 21.515 12.692 1.00 0.00 H ATOM 1157 HZ3 LYS A 134 -20.422 20.106 11.985 1.00 0.00 H ATOM 1158 H LYS A 134 -20.854 27.023 9.523 1.00 0.00 H ATOM 1159 N ALA A 135 -17.828 27.575 8.421 1.00 48.03 N ATOM 1160 CA ALA A 135 -16.644 28.150 7.803 1.00 52.87 C ATOM 1161 C ALA A 135 -15.934 29.029 8.833 1.00 50.96 C ATOM 1162 O ALA A 135 -14.719 29.075 8.827 1.00 54.71 O ATOM 1163 CB ALA A 135 -16.989 28.908 6.550 1.00 52.57 C ATOM 1164 H ALA A 135 -18.772 27.794 8.044 1.00 0.00 H ATOM 1165 N ASN A 136 -16.719 29.643 9.734 1.00 51.77 N ATOM 1166 CA ASN A 136 -16.223 30.550 10.782 1.00 47.55 C ATOM 1167 C ASN A 136 -15.657 29.751 11.950 1.00 47.66 C ATOM 1168 O ASN A 136 -14.731 30.196 12.585 1.00 59.33 O ATOM 1169 CB ASN A 136 -17.293 31.500 11.324 1.00 44.56 C ATOM 1170 CG ASN A 136 -16.733 32.433 12.378 1.00 48.54 C ATOM 1171 OD1 ASN A 136 -15.779 33.174 12.123 1.00 48.86 O ATOM 1172 ND2 ASN A 136 -17.284 32.371 13.578 1.00 42.00 N ATOM 1173 HD22 ASN A 136 -18.087 31.732 13.749 1.00 0.00 H ATOM 1174 HD21 ASN A 136 -16.915 32.961 14.351 1.00 0.00 H ATOM 1175 H ASN A 136 -17.743 29.466 9.688 1.00 0.00 H ATOM 1176 N LYS A 137 -16.236 28.593 12.257 1.00 51.66 N ATOM 1177 CA LYS A 137 -15.685 27.746 13.313 1.00 52.60 C ATOM 1178 C LYS A 137 -14.288 27.252 12.922 1.00 47.02 C ATOM 1179 O LYS A 137 -13.415 27.274 13.729 1.00 48.09 O ATOM 1180 CB LYS A 137 -16.612 26.570 13.623 1.00 55.84 C ATOM 1181 CG LYS A 137 -16.142 25.688 14.769 1.00 64.46 C ATOM 1182 CD LYS A 137 -17.213 24.711 15.257 1.00 77.52 C ATOM 1183 CE LYS A 137 -16.737 23.769 16.349 1.00 81.53 C ATOM 1184 NZ LYS A 137 -16.392 24.486 17.603 1.00 81.38 N ATOM 1185 HZ1 LYS A 137 -15.631 25.169 17.412 1.00 0.00 H ATOM 1186 HZ2 LYS A 137 -17.231 24.990 17.955 1.00 0.00 H ATOM 1187 HZ3 LYS A 137 -16.073 23.800 18.317 1.00 0.00 H ATOM 1188 H LYS A 137 -17.087 28.288 11.742 1.00 0.00 H ATOM 1189 N ILE A 138 -14.090 26.827 11.670 1.00 53.45 N ATOM 1190 CA ILE A 138 -12.820 26.205 11.239 1.00 57.58 C ATOM 1191 C ILE A 138 -12.083 27.110 10.234 1.00 64.28 C ATOM 1192 O ILE A 138 -11.198 26.649 9.494 1.00 61.69 O ATOM 1193 CB ILE A 138 -13.076 24.781 10.681 1.00 60.71 C ATOM 1194 CG1 ILE A 138 -13.662 24.809 9.260 1.00 57.89 C ATOM 1195 CG2 ILE A 138 -13.930 23.970 11.657 1.00 56.55 C ATOM 1196 CD1 ILE A 138 -14.477 23.586 8.861 1.00 52.55 C ATOM 1197 H ILE A 138 -14.856 26.938 10.975 1.00 0.00 H ATOM 1198 N LYS A 139 -12.413 28.408 10.222 1.00 77.07 N ATOM 1199 CA LYS A 139 -11.639 29.407 9.463 1.00 79.44 C ATOM 1200 C LYS A 139 -10.156 29.162 9.765 1.00 81.17 C ATOM 1201 O LYS A 139 -9.820 28.650 10.833 1.00 93.71 O ATOM 1202 CB LYS A 139 -12.103 30.834 9.799 1.00 85.01 C ATOM 1203 CG LYS A 139 -11.493 31.489 11.038 1.00 87.23 C ATOM 1204 CD LYS A 139 -11.775 30.778 12.357 1.00 82.23 C ATOM 1205 CE LYS A 139 -11.910 31.716 13.542 1.00 77.32 C ATOM 1206 NZ LYS A 139 -12.936 32.764 13.320 1.00 74.80 N ATOM 1207 HZ1 LYS A 139 -12.676 33.332 12.488 1.00 0.00 H ATOM 1208 HZ2 LYS A 139 -13.860 32.314 13.159 1.00 0.00 H ATOM 1209 HZ3 LYS A 139 -12.989 33.378 14.158 1.00 0.00 H ATOM 1210 H LYS A 139 -13.242 28.721 10.766 1.00 0.00 H ATOM 1211 N SER A 140 -9.282 29.473 8.802 1.00 83.12 N ATOM 1212 CA SER A 140 -7.837 29.169 8.898 1.00 85.61 C ATOM 1213 C SER A 140 -7.552 27.666 8.694 1.00 88.44 C ATOM 1214 O SER A 140 -6.384 27.268 8.774 1.00 98.39 O ATOM 1215 CB SER A 140 -7.230 29.662 10.208 1.00 84.80 C ATOM 1216 OG SER A 140 -6.930 31.051 10.151 1.00 85.54 O ATOM 1217 HG SER A 140 -6.539 31.339 11.014 1.00 0.00 H ATOM 1218 H SER A 140 -9.634 29.950 7.947 1.00 0.00 H ATOM 1219 N GLU A 141 -8.582 26.837 8.444 1.00 78.79 N ATOM 1220 CA GLU A 141 -8.384 25.457 7.938 1.00 77.28 C ATOM 1221 C GLU A 141 -8.683 25.459 6.433 1.00 75.48 C ATOM 1222 O GLU A 141 -9.468 26.285 5.960 1.00 71.39 O ATOM 1223 CB GLU A 141 -9.269 24.424 8.655 1.00 73.76 C ATOM 1224 CG GLU A 141 -8.701 23.856 9.959 1.00 68.54 C ATOM 1225 CD GLU A 141 -9.536 22.732 10.573 1.00 71.53 C ATOM 1226 OE1 GLU A 141 -9.567 22.610 11.826 1.00 63.89 O ATOM 1227 OE2 GLU A 141 -10.179 21.975 9.798 1.00 73.72 O ATOM 1228 H GLU A 141 -9.551 27.176 8.611 1.00 0.00 H ATOM 1229 N LYS A 142 -8.060 24.525 5.701 1.00 74.69 N ATOM 1230 CA LYS A 142 -8.326 24.292 4.260 1.00 69.34 C ATOM 1231 C LYS A 142 -9.234 23.062 4.101 1.00 59.60 C ATOM 1232 O LYS A 142 -9.144 22.332 3.108 1.00 57.53 O ATOM 1233 CB LYS A 142 -7.027 24.084 3.475 1.00 71.17 C ATOM 1234 CG LYS A 142 -5.802 24.836 3.982 1.00 79.22 C ATOM 1235 CD LYS A 142 -4.532 24.509 3.201 1.00 81.05 C ATOM 1236 CE LYS A 142 -3.284 25.201 3.717 1.00 83.55 C ATOM 1237 NZ LYS A 142 -2.911 24.737 5.077 1.00 85.43 N ATOM 1238 HZ1 LYS A 142 -3.690 24.938 5.736 1.00 0.00 H ATOM 1239 HZ2 LYS A 142 -2.729 23.713 5.055 1.00 0.00 H ATOM 1240 HZ3 LYS A 142 -2.054 25.236 5.389 1.00 0.00 H ATOM 1241 H LYS A 142 -7.349 23.929 6.170 1.00 0.00 H ATOM 1242 N THR A 143 -10.112 22.848 5.087 1.00 54.68 N ATOM 1243 CA THR A 143 -11.084 21.774 5.081 1.00 51.15 C ATOM 1244 C THR A 143 -12.246 22.153 4.162 1.00 50.11 C ATOM 1245 O THR A 143 -12.801 23.233 4.272 1.00 44.07 O ATOM 1246 CB THR A 143 -11.590 21.480 6.494 1.00 52.38 C ATOM 1247 OG1 THR A 143 -10.438 21.235 7.293 1.00 49.63 O ATOM 1248 CG2 THR A 143 -12.534 20.298 6.574 1.00 51.64 C ATOM 1249 HG1 THR A 143 -10.718 21.039 8.222 1.00 0.00 H ATOM 1250 H THR A 143 -10.096 23.490 5.905 1.00 0.00 H ATOM 1251 N HIS A 144 -12.597 21.237 3.257 1.00 47.01 N ATOM 1252 CA HIS A 144 -13.726 21.402 2.384 1.00 40.82 C ATOM 1253 C HIS A 144 -15.004 21.220 3.193 1.00 41.35 C ATOM 1254 O HIS A 144 -15.081 20.326 4.051 1.00 44.20 O ATOM 1255 CB HIS A 144 -13.661 20.400 1.229 1.00 43.59 C ATOM 1256 CG HIS A 144 -14.365 20.865 0.005 1.00 42.74 C ATOM 1257 ND1 HIS A 144 -13.824 21.806 -0.833 1.00 45.80 N ATOM 1258 CD2 HIS A 144 -15.553 20.521 -0.531 1.00 46.49 C ATOM 1259 CE1 HIS A 144 -14.646 22.025 -1.843 1.00 46.86 C ATOM 1260 NE2 HIS A 144 -15.722 21.264 -1.675 1.00 46.32 N ATOM 1261 H HIS A 144 -12.030 20.368 3.181 1.00 0.00 H ATOM 1262 N ILE A 145 -16.012 22.049 2.900 1.00 43.36 N ATOM 1263 CA ILE A 145 -17.254 22.039 3.661 1.00 41.40 C ATOM 1264 C ILE A 145 -18.404 21.674 2.725 1.00 40.79 C ATOM 1265 O ILE A 145 -18.512 22.225 1.631 1.00 40.55 O ATOM 1266 CB ILE A 145 -17.522 23.380 4.366 1.00 41.49 C ATOM 1267 CG1 ILE A 145 -16.474 23.679 5.442 1.00 47.27 C ATOM 1268 CG2 ILE A 145 -18.930 23.368 4.933 1.00 40.71 C ATOM 1269 CD1 ILE A 145 -16.541 25.081 6.025 1.00 45.89 C ATOM 1270 H ILE A 145 -15.906 22.717 2.110 1.00 0.00 H ATOM 1271 N HIS A 146 -19.256 20.759 3.203 1.00 34.69 N ATOM 1272 CA HIS A 146 -20.407 20.311 2.491 1.00 34.51 C ATOM 1273 C HIS A 146 -21.563 20.225 3.489 1.00 35.72 C ATOM 1274 O HIS A 146 -21.515 19.439 4.451 1.00 33.87 O ATOM 1275 CB HIS A 146 -20.114 18.969 1.790 1.00 36.56 C ATOM 1276 CG HIS A 146 -21.087 18.630 0.712 1.00 36.20 C ATOM 1277 ND1 HIS A 146 -20.742 17.864 -0.387 1.00 35.89 N ATOM 1278 CD2 HIS A 146 -22.367 19.009 0.522 1.00 35.34 C ATOM 1279 CE1 HIS A 146 -21.794 17.742 -1.166 1.00 38.03 C ATOM 1280 NE2 HIS A 146 -22.782 18.457 -0.653 1.00 37.03 N ATOM 1281 H HIS A 146 -19.069 20.354 4.142 1.00 0.00 H ATOM 1282 N ILE A 147 -22.567 21.073 3.260 1.00 34.72 N ATOM 1283 CA ILE A 147 -23.737 21.215 4.090 1.00 33.85 C ATOM 1284 C ILE A 147 -24.918 20.593 3.354 1.00 35.15 C ATOM 1285 O ILE A 147 -25.090 20.847 2.150 1.00 39.90 O ATOM 1286 CB ILE A 147 -24.025 22.714 4.368 1.00 34.66 C ATOM 1287 CG1 ILE A 147 -22.823 23.438 4.971 1.00 33.84 C ATOM 1288 CG2 ILE A 147 -25.278 22.887 5.219 1.00 33.69 C ATOM 1289 CD1 ILE A 147 -22.365 22.888 6.307 1.00 38.56 C ATOM 1290 H ILE A 147 -22.500 21.679 2.417 1.00 0.00 H ATOM 1291 N PHE A 148 -25.767 19.879 4.104 1.00 36.39 N ATOM 1292 CA PHE A 148 -27.044 19.352 3.624 1.00 34.81 C ATOM 1293 C PHE A 148 -28.168 19.831 4.539 1.00 36.12 C ATOM 1294 O PHE A 148 -27.946 19.997 5.738 1.00 37.08 O ATOM 1295 CB PHE A 148 -27.042 17.821 3.634 1.00 34.22 C ATOM 1296 CG PHE A 148 -26.044 17.202 2.690 1.00 34.45 C ATOM 1297 CD1 PHE A 148 -26.395 16.925 1.368 1.00 37.11 C ATOM 1298 CD2 PHE A 148 -24.767 16.865 3.121 1.00 33.45 C ATOM 1299 CE1 PHE A 148 -25.481 16.341 0.498 1.00 34.52 C ATOM 1300 CE2 PHE A 148 -23.863 16.262 2.260 1.00 34.19 C ATOM 1301 CZ PHE A 148 -24.213 16.018 0.945 1.00 34.58 C ATOM 1302 H PHE A 148 -25.501 19.687 5.091 1.00 0.00 H ATOM 1303 N SER A 149 -29.367 20.022 3.973 1.00 35.73 N ATOM 1304 CA SER A 149 -30.538 20.338 4.753 1.00 37.15 C ATOM 1305 C SER A 149 -31.515 19.177 4.620 1.00 33.70 C ATOM 1306 O SER A 149 -31.255 18.281 3.910 1.00 36.81 O ATOM 1307 CB SER A 149 -31.169 21.647 4.323 1.00 38.26 C ATOM 1308 OG SER A 149 -31.788 21.515 3.053 1.00 37.77 O ATOM 1309 HG SER A 149 -32.193 22.380 2.793 1.00 0.00 H ATOM 1310 H SER A 149 -29.456 19.940 2.940 1.00 0.00 H ATOM 1311 N PHE A 150 -32.648 19.266 5.308 1.00 37.00 N ATOM 1312 CA PHE A 150 -33.762 18.357 5.180 1.00 38.91 C ATOM 1313 C PHE A 150 -34.742 18.849 4.105 1.00 38.49 C ATOM 1314 O PHE A 150 -35.869 18.426 4.061 1.00 41.22 O ATOM 1315 CB PHE A 150 -34.448 18.222 6.541 1.00 37.40 C ATOM 1316 CG PHE A 150 -33.557 17.649 7.623 1.00 35.44 C ATOM 1317 CD1 PHE A 150 -32.623 18.440 8.272 1.00 32.31 C ATOM 1318 CD2 PHE A 150 -33.645 16.307 7.972 1.00 32.27 C ATOM 1319 CE1 PHE A 150 -31.812 17.907 9.264 1.00 30.45 C ATOM 1320 CE2 PHE A 150 -32.835 15.772 8.957 1.00 31.68 C ATOM 1321 CZ PHE A 150 -31.921 16.574 9.608 1.00 35.39 C ATOM 1322 H PHE A 150 -32.739 20.047 5.988 1.00 0.00 H ATOM 1323 N THR A 151 -34.297 19.756 3.241 1.00 43.64 N ATOM 1324 CA THR A 151 -35.152 20.306 2.187 1.00 44.20 C ATOM 1325 C THR A 151 -34.537 19.993 0.824 1.00 43.33 C ATOM 1326 O THR A 151 -35.120 20.309 -0.224 1.00 45.69 O ATOM 1327 CB THR A 151 -35.323 21.829 2.338 1.00 42.03 C ATOM 1328 OG1 THR A 151 -34.054 22.426 2.070 1.00 42.38 O ATOM 1329 CG2 THR A 151 -35.808 22.270 3.706 1.00 40.94 C ATOM 1330 HG1 THR A 151 -33.387 22.084 2.717 1.00 0.00 H ATOM 1331 H THR A 151 -33.313 20.085 3.316 1.00 0.00 H ATOM 1332 N GLY A 152 -33.335 19.420 0.827 1.00 44.24 N ATOM 1333 CA GLY A 152 -32.689 19.001 -0.419 1.00 40.20 C ATOM 1334 C GLY A 152 -31.786 20.078 -0.966 1.00 40.80 C ATOM 1335 O GLY A 152 -31.427 20.056 -2.130 1.00 42.88 O ATOM 1336 H GLY A 152 -32.845 19.267 1.732 1.00 0.00 H ATOM 1337 N GLU A 153 -31.438 21.040 -0.117 1.00 40.32 N ATOM 1338 CA GLU A 153 -30.471 22.039 -0.457 1.00 38.96 C ATOM 1339 C GLU A 153 -29.145 21.570 0.128 1.00 40.41 C ATOM 1340 O GLU A 153 -29.080 20.861 1.167 1.00 39.11 O ATOM 1341 CB GLU A 153 -30.846 23.420 0.084 1.00 45.81 C ATOM 1342 CG GLU A 153 -32.159 23.980 -0.454 1.00 49.98 C ATOM 1343 CD GLU A 153 -32.749 25.105 0.394 1.00 60.40 C ATOM 1344 OE1 GLU A 153 -32.002 26.060 0.764 1.00 69.28 O ATOM 1345 OE2 GLU A 153 -33.951 25.024 0.717 1.00 63.26 O ATOM 1346 H GLU A 153 -31.882 21.068 0.823 1.00 0.00 H ATOM 1347 N GLU A 154 -28.083 21.980 -0.550 1.00 42.29 N ATOM 1348 CA GLU A 154 -26.765 21.744 -0.105 1.00 43.48 C ATOM 1349 C GLU A 154 -25.972 23.004 -0.421 1.00 43.55 C ATOM 1350 O GLU A 154 -26.405 23.787 -1.243 1.00 40.69 O ATOM 1351 CB GLU A 154 -26.206 20.490 -0.777 1.00 44.36 C ATOM 1352 CG GLU A 154 -26.213 20.532 -2.288 1.00 45.09 C ATOM 1353 CD GLU A 154 -25.812 19.219 -2.951 1.00 45.17 C ATOM 1354 OE1 GLU A 154 -25.058 18.433 -2.345 1.00 45.99 O ATOM 1355 OE2 GLU A 154 -26.275 18.972 -4.066 1.00 46.77 O ATOM 1356 H GLU A 154 -28.226 22.494 -1.442 1.00 0.00 H ATOM 1357 N MET A 155 -24.852 23.184 0.276 1.00 40.46 N ATOM 1358 CA MET A 155 -23.900 24.179 -0.057 1.00 40.09 C ATOM 1359 C MET A 155 -22.518 23.610 0.249 1.00 40.01 C ATOM 1360 O MET A 155 -22.304 23.027 1.296 1.00 37.70 O ATOM 1361 CB MET A 155 -24.127 25.469 0.740 1.00 43.67 C ATOM 1362 CG MET A 155 -23.191 26.585 0.321 1.00 44.77 C ATOM 1363 SD MET A 155 -23.563 28.163 1.121 1.00 56.32 S ATOM 1364 CE MET A 155 -24.999 28.654 0.168 1.00 55.80 C ATOM 1365 H MET A 155 -24.669 22.571 1.096 1.00 0.00 H ATOM 1366 N ALA A 156 -21.583 23.801 -0.678 1.00 41.17 N ATOM 1367 CA ALA A 156 -20.272 23.243 -0.539 1.00 44.06 C ATOM 1368 C ALA A 156 -19.239 24.297 -0.932 1.00 46.85 C ATOM 1369 O ALA A 156 -19.505 25.104 -1.819 1.00 49.68 O ATOM 1370 CB ALA A 156 -20.175 22.004 -1.397 1.00 44.42 C ATOM 1371 H ALA A 156 -21.809 24.367 -1.521 1.00 0.00 H ATOM 1372 N THR A 157 -18.069 24.261 -0.279 1.00 47.94 N ATOM 1373 CA THR A 157 -16.967 25.137 -0.595 1.00 45.60 C ATOM 1374 C THR A 157 -16.817 25.216 -2.122 1.00 50.96 C ATOM 1375 O THR A 157 -16.696 24.171 -2.800 1.00 49.45 O ATOM 1376 CB THR A 157 -15.668 24.638 0.045 1.00 45.25 C ATOM 1377 OG1 THR A 157 -15.863 24.555 1.457 1.00 41.32 O ATOM 1378 CG2 THR A 157 -14.485 25.530 -0.270 1.00 45.53 C ATOM 1379 HG1 THR A 157 -16.093 25.451 1.810 1.00 0.00 H ATOM 1380 H THR A 157 -17.950 23.571 0.490 1.00 0.00 H ATOM 1381 N LYS A 158 -16.852 26.452 -2.645 1.00 51.74 N ATOM 1382 CA LYS A 158 -16.564 26.776 -4.053 1.00 50.77 C ATOM 1383 C LYS A 158 -17.534 26.042 -4.975 1.00 50.16 C ATOM 1384 O LYS A 158 -17.205 25.758 -6.104 1.00 54.17 O ATOM 1385 CB LYS A 158 -15.109 26.442 -4.393 1.00 53.30 C ATOM 1386 CG LYS A 158 -14.112 27.452 -3.854 1.00 61.37 C ATOM 1387 CD LYS A 158 -12.697 26.942 -3.724 1.00 68.82 C ATOM 1388 CE LYS A 158 -11.712 28.082 -3.546 1.00 73.63 C ATOM 1389 NZ LYS A 158 -10.311 27.602 -3.478 1.00 78.99 N ATOM 1390 HZ1 LYS A 158 -10.207 26.954 -2.671 1.00 0.00 H ATOM 1391 HZ2 LYS A 158 -10.074 27.102 -4.359 1.00 0.00 H ATOM 1392 HZ3 LYS A 158 -9.673 28.414 -3.356 1.00 0.00 H ATOM 1393 H LYS A 158 -17.100 27.238 -2.010 1.00 0.00 H ATOM 1394 N ALA A 159 -18.739 25.770 -4.468 1.00 53.06 N ATOM 1395 CA ALA A 159 -19.731 24.927 -5.118 1.00 54.71 C ATOM 1396 C ALA A 159 -19.071 23.685 -5.722 1.00 52.79 C ATOM 1397 O ALA A 159 -19.501 23.209 -6.756 1.00 58.59 O ATOM 1398 CB ALA A 159 -20.483 25.713 -6.167 1.00 55.44 C ATOM 1399 H ALA A 159 -18.985 26.188 -3.548 1.00 0.00 H ATOM 1400 N ASP A 160 -18.033 23.164 -5.068 1.00 48.30 N ATOM 1401 CA ASP A 160 -17.551 21.850 -5.378 1.00 45.44 C ATOM 1402 C ASP A 160 -18.236 20.852 -4.426 1.00 45.95 C ATOM 1403 O ASP A 160 -17.973 20.841 -3.224 1.00 40.69 O ATOM 1404 CB ASP A 160 -16.031 21.790 -5.287 1.00 48.25 C ATOM 1405 CG ASP A 160 -15.492 20.412 -5.620 1.00 49.65 C ATOM 1406 OD1 ASP A 160 -16.322 19.531 -5.970 1.00 49.99 O ATOM 1407 OD2 ASP A 160 -14.264 20.221 -5.499 1.00 53.56 O ATOM 1408 H ASP A 160 -17.566 23.719 -4.322 1.00 0.00 H ATOM 1409 N TYR A 161 -19.127 20.032 -4.988 1.00 44.61 N ATOM 1410 CA TYR A 161 -19.992 19.119 -4.255 1.00 49.16 C ATOM 1411 C TYR A 161 -19.415 17.701 -4.146 1.00 48.08 C ATOM 1412 O TYR A 161 -20.066 16.820 -3.579 1.00 47.28 O ATOM 1413 CB TYR A 161 -21.353 19.059 -4.940 1.00 50.00 C ATOM 1414 CG TYR A 161 -22.078 20.370 -4.864 1.00 51.65 C ATOM 1415 CD1 TYR A 161 -22.555 20.827 -3.647 1.00 49.44 C ATOM 1416 CD2 TYR A 161 -22.228 21.172 -5.982 1.00 52.64 C ATOM 1417 CE1 TYR A 161 -23.201 22.042 -3.543 1.00 50.24 C ATOM 1418 CE2 TYR A 161 -22.873 22.393 -5.899 1.00 50.95 C ATOM 1419 CZ TYR A 161 -23.357 22.822 -4.675 1.00 52.43 C ATOM 1420 OH TYR A 161 -24.000 24.010 -4.569 1.00 51.70 O ATOM 1421 HH TYR A 161 -24.274 24.153 -3.629 1.00 0.00 H ATOM 1422 H TYR A 161 -19.209 20.047 -6.025 1.00 0.00 H ATOM 1423 N THR A 162 -18.227 17.485 -4.709 1.00 46.61 N ATOM 1424 CA THR A 162 -17.425 16.301 -4.477 1.00 50.77 C ATOM 1425 C THR A 162 -18.051 15.044 -5.112 1.00 51.03 C ATOM 1426 O THR A 162 -17.335 14.317 -5.810 1.00 47.94 O ATOM 1427 CB THR A 162 -17.178 16.092 -2.978 1.00 50.56 C ATOM 1428 OG1 THR A 162 -16.513 17.244 -2.452 1.00 46.34 O ATOM 1429 CG2 THR A 162 -16.361 14.849 -2.698 1.00 53.05 C ATOM 1430 HG1 THR A 162 -17.081 18.043 -2.590 1.00 0.00 H ATOM 1431 H THR A 162 -17.853 18.210 -5.354 1.00 0.00 H ATOM 1432 N LEU A 163 -19.331 14.750 -4.807 1.00 47.44 N ATOM 1433 CA LEU A 163 -20.030 13.518 -5.242 1.00 46.82 C ATOM 1434 C LEU A 163 -20.754 13.763 -6.564 1.00 43.87 C ATOM 1435 O LEU A 163 -20.976 14.892 -6.946 1.00 45.27 O ATOM 1436 CB LEU A 163 -21.054 13.094 -4.189 1.00 46.28 C ATOM 1437 CG LEU A 163 -20.509 12.682 -2.828 1.00 51.46 C ATOM 1438 CD1 LEU A 163 -21.640 12.173 -1.938 1.00 52.39 C ATOM 1439 CD2 LEU A 163 -19.414 11.640 -2.955 1.00 52.17 C ATOM 1440 H LEU A 163 -19.862 15.432 -4.229 1.00 0.00 H ATOM 1441 N ASP A 164 -21.147 12.676 -7.225 1.00 46.65 N ATOM 1442 CA ASP A 164 -21.980 12.738 -8.409 1.00 47.77 C ATOM 1443 C ASP A 164 -23.411 13.056 -7.969 1.00 49.12 C ATOM 1444 O ASP A 164 -23.711 13.084 -6.766 1.00 46.55 O ATOM 1445 CB ASP A 164 -21.863 11.448 -9.224 1.00 48.44 C ATOM 1446 CG ASP A 164 -22.261 10.170 -8.499 1.00 53.62 C ATOM 1447 OD1 ASP A 164 -23.004 10.252 -7.503 1.00 54.96 O ATOM 1448 OD2 ASP A 164 -21.838 9.090 -8.958 1.00 52.26 O ATOM 1449 H ASP A 164 -20.844 11.744 -6.877 1.00 0.00 H ATOM 1450 N GLU A 165 -24.294 13.280 -8.942 1.00 45.02 N ATOM 1451 CA GLU A 165 -25.615 13.761 -8.635 1.00 50.55 C ATOM 1452 C GLU A 165 -26.418 12.689 -7.906 1.00 45.48 C ATOM 1453 O GLU A 165 -27.206 13.021 -7.043 1.00 44.06 O ATOM 1454 CB GLU A 165 -26.381 14.197 -9.878 1.00 58.56 C ATOM 1455 CG GLU A 165 -26.187 15.660 -10.196 1.00 63.82 C ATOM 1456 CD GLU A 165 -24.800 15.970 -10.713 1.00 73.88 C ATOM 1457 OE1 GLU A 165 -24.203 15.083 -11.370 1.00 80.87 O ATOM 1458 OE2 GLU A 165 -24.321 17.094 -10.461 1.00 84.34 O ATOM 1459 H GLU A 165 -24.026 13.106 -9.932 1.00 0.00 H ATOM 1460 N GLU A 166 -26.199 11.430 -8.279 1.00 44.56 N ATOM 1461 CA GLU A 166 -26.913 10.276 -7.759 1.00 46.47 C ATOM 1462 C GLU A 166 -26.662 10.093 -6.256 1.00 45.73 C ATOM 1463 O GLU A 166 -27.579 9.734 -5.505 1.00 48.83 O ATOM 1464 CB GLU A 166 -26.447 9.014 -8.495 1.00 52.20 C ATOM 1465 CG GLU A 166 -26.915 7.714 -7.862 1.00 54.03 C ATOM 1466 CD GLU A 166 -26.894 6.530 -8.813 1.00 65.70 C ATOM 1467 OE1 GLU A 166 -25.805 5.956 -9.051 1.00 63.83 O ATOM 1468 OE2 GLU A 166 -27.969 6.205 -9.340 1.00 83.06 O ATOM 1469 H GLU A 166 -25.464 11.260 -8.994 1.00 0.00 H ATOM 1470 N SER A 167 -25.403 10.274 -5.848 1.00 42.45 N ATOM 1471 CA SER A 167 -24.978 10.093 -4.481 1.00 45.38 C ATOM 1472 C SER A 167 -25.548 11.228 -3.626 1.00 43.41 C ATOM 1473 O SER A 167 -26.104 11.021 -2.558 1.00 43.27 O ATOM 1474 CB SER A 167 -23.480 10.065 -4.396 1.00 47.37 C ATOM 1475 OG SER A 167 -22.938 9.109 -5.289 1.00 47.72 O ATOM 1476 HG SER A 167 -23.199 9.339 -6.216 1.00 0.00 H ATOM 1477 H SER A 167 -24.693 10.560 -6.552 1.00 0.00 H ATOM 1478 N ARG A 168 -25.404 12.439 -4.144 1.00 40.85 N ATOM 1479 CA ARG A 168 -25.970 13.606 -3.523 1.00 43.59 C ATOM 1480 C ARG A 168 -27.486 13.412 -3.385 1.00 41.79 C ATOM 1481 O ARG A 168 -28.005 13.573 -2.296 1.00 36.16 O ATOM 1482 CB ARG A 168 -25.533 14.848 -4.302 1.00 46.21 C ATOM 1483 CG ARG A 168 -24.016 15.012 -4.294 1.00 48.12 C ATOM 1484 CD ARG A 168 -23.499 16.373 -4.699 1.00 48.11 C ATOM 1485 NE ARG A 168 -23.715 16.727 -6.093 1.00 54.34 N ATOM 1486 CZ ARG A 168 -24.371 17.805 -6.502 1.00 52.93 C ATOM 1487 NH1 ARG A 168 -24.757 18.720 -5.636 1.00 57.33 N ATOM 1488 NH2 ARG A 168 -24.688 17.949 -7.771 1.00 52.47 N ATOM 1489 HE ARG A 168 -23.328 16.091 -6.819 1.00 0.00 H ATOM 1490 HH12 ARG A 168 -25.271 19.563 -5.964 1.00 0.00 H ATOM 1491 HH11 ARG A 168 -24.548 18.600 -4.624 1.00 0.00 H ATOM 1492 HH22 ARG A 168 -25.202 18.796 -8.086 1.00 0.00 H ATOM 1493 HH21 ARG A 168 -24.424 17.215 -8.459 1.00 0.00 H ATOM 1494 H ARG A 168 -24.865 12.549 -5.027 1.00 0.00 H ATOM 1495 N ALA A 169 -28.147 12.945 -4.454 1.00 36.33 N ATOM 1496 CA ALA A 169 -29.593 12.795 -4.469 1.00 38.22 C ATOM 1497 C ALA A 169 -30.055 11.758 -3.432 1.00 37.73 C ATOM 1498 O ALA A 169 -31.151 11.882 -2.830 1.00 36.42 O ATOM 1499 CB ALA A 169 -30.059 12.417 -5.845 1.00 39.25 C ATOM 1500 H ALA A 169 -27.606 12.681 -5.302 1.00 0.00 H ATOM 1501 N ARG A 170 -29.263 10.700 -3.277 1.00 41.69 N ATOM 1502 CA ARG A 170 -29.552 9.658 -2.293 1.00 43.02 C ATOM 1503 C ARG A 170 -29.479 10.231 -0.865 1.00 35.08 C ATOM 1504 O ARG A 170 -30.299 9.948 -0.052 1.00 32.45 O ATOM 1505 CB ARG A 170 -28.582 8.484 -2.454 1.00 48.97 C ATOM 1506 CG ARG A 170 -29.189 7.282 -3.164 1.00 58.75 C ATOM 1507 CD ARG A 170 -29.065 5.993 -2.359 1.00 69.66 C ATOM 1508 NE ARG A 170 -27.961 5.140 -2.788 1.00 76.14 N ATOM 1509 CZ ARG A 170 -27.742 3.898 -2.354 1.00 79.36 C ATOM 1510 NH1 ARG A 170 -28.553 3.339 -1.472 1.00 82.64 N ATOM 1511 NH2 ARG A 170 -26.704 3.218 -2.806 1.00 81.30 N ATOM 1512 HE ARG A 170 -27.295 5.530 -3.485 1.00 0.00 H ATOM 1513 HH12 ARG A 170 -28.372 2.370 -1.141 1.00 0.00 H ATOM 1514 HH11 ARG A 170 -29.372 3.868 -1.110 1.00 0.00 H ATOM 1515 HH22 ARG A 170 -26.530 2.249 -2.470 1.00 0.00 H ATOM 1516 HH21 ARG A 170 -26.060 3.651 -3.498 1.00 0.00 H ATOM 1517 H ARG A 170 -28.415 10.612 -3.872 1.00 0.00 H ATOM 1518 N ILE A 171 -28.460 11.030 -0.568 1.00 37.75 N ATOM 1519 CA ILE A 171 -28.376 11.650 0.738 1.00 37.77 C ATOM 1520 C ILE A 171 -29.610 12.539 0.953 1.00 39.94 C ATOM 1521 O ILE A 171 -30.266 12.474 2.003 1.00 37.25 O ATOM 1522 CB ILE A 171 -27.052 12.413 0.896 1.00 37.89 C ATOM 1523 CG1 ILE A 171 -25.875 11.448 0.991 1.00 36.64 C ATOM 1524 CG2 ILE A 171 -27.086 13.328 2.114 1.00 39.19 C ATOM 1525 CD1 ILE A 171 -24.534 12.086 0.705 1.00 39.43 C ATOM 1526 H ILE A 171 -27.720 11.211 -1.276 1.00 0.00 H ATOM 1527 N LYS A 172 -29.947 13.359 -0.045 1.00 38.00 N ATOM 1528 CA LYS A 172 -31.004 14.322 0.157 1.00 37.08 C ATOM 1529 C LYS A 172 -32.321 13.595 0.397 1.00 36.09 C ATOM 1530 O LYS A 172 -33.140 14.026 1.227 1.00 34.92 O ATOM 1531 CB LYS A 172 -31.122 15.269 -1.035 1.00 38.49 C ATOM 1532 CG LYS A 172 -29.945 16.208 -1.248 1.00 40.81 C ATOM 1533 CD LYS A 172 -30.072 16.989 -2.528 1.00 39.68 C ATOM 1534 CE LYS A 172 -28.876 17.880 -2.748 1.00 44.92 C ATOM 1535 NZ LYS A 172 -28.651 18.152 -4.182 1.00 39.12 N ATOM 1536 HZ1 LYS A 172 -28.487 17.255 -4.682 1.00 0.00 H ATOM 1537 HZ2 LYS A 172 -29.488 18.624 -4.580 1.00 0.00 H ATOM 1538 HZ3 LYS A 172 -27.820 18.768 -4.291 1.00 0.00 H ATOM 1539 H LYS A 172 -29.453 13.305 -0.959 1.00 0.00 H ATOM 1540 N THR A 173 -32.555 12.512 -0.359 1.00 37.72 N ATOM 1541 CA THR A 173 -33.801 11.729 -0.190 1.00 34.80 C ATOM 1542 C THR A 173 -33.888 11.142 1.224 1.00 33.81 C ATOM 1543 O THR A 173 -34.964 11.101 1.816 1.00 41.21 O ATOM 1544 CB THR A 173 -33.887 10.582 -1.203 1.00 38.67 C ATOM 1545 OG1 THR A 173 -33.849 11.175 -2.498 1.00 38.12 O ATOM 1546 CG2 THR A 173 -35.130 9.724 -1.058 1.00 36.70 C ATOM 1547 HG1 THR A 173 -33.003 11.677 -2.605 1.00 0.00 H ATOM 1548 H THR A 173 -31.855 12.219 -1.070 1.00 0.00 H ATOM 1549 N ARG A 174 -32.764 10.627 1.736 1.00 33.23 N ATOM 1550 CA ARG A 174 -32.739 10.035 3.049 1.00 35.89 C ATOM 1551 C ARG A 174 -33.079 11.126 4.078 1.00 34.87 C ATOM 1552 O ARG A 174 -33.915 10.904 4.980 1.00 33.68 O ATOM 1553 CB ARG A 174 -31.399 9.332 3.286 1.00 38.04 C ATOM 1554 CG ARG A 174 -31.118 8.944 4.733 1.00 39.68 C ATOM 1555 CD ARG A 174 -31.481 7.540 5.223 1.00 44.48 C ATOM 1556 NE ARG A 174 -32.753 7.521 5.918 1.00 47.19 N ATOM 1557 CZ ARG A 174 -33.035 6.859 7.038 1.00 41.15 C ATOM 1558 NH1 ARG A 174 -34.292 6.632 7.338 1.00 40.76 N ATOM 1559 NH2 ARG A 174 -32.105 6.447 7.869 1.00 44.52 N ATOM 1560 HE ARG A 174 -33.523 8.081 5.499 1.00 0.00 H ATOM 1561 HH12 ARG A 174 -34.534 6.117 8.208 1.00 0.00 H ATOM 1562 HH11 ARG A 174 -35.046 6.967 6.705 1.00 0.00 H ATOM 1563 HH22 ARG A 174 -32.371 5.933 8.733 1.00 0.00 H ATOM 1564 HH21 ARG A 174 -31.103 6.635 7.663 1.00 0.00 H ATOM 1565 H ARG A 174 -31.890 10.655 1.174 1.00 0.00 H ATOM 1566 N LEU A 175 -32.490 12.313 3.900 1.00 34.25 N ATOM 1567 CA LEU A 175 -32.700 13.433 4.843 1.00 33.89 C ATOM 1568 C LEU A 175 -34.156 13.871 4.814 1.00 30.83 C ATOM 1569 O LEU A 175 -34.775 13.969 5.846 1.00 35.24 O ATOM 1570 CB LEU A 175 -31.767 14.597 4.509 1.00 31.89 C ATOM 1571 CG LEU A 175 -30.339 14.348 4.935 1.00 34.05 C ATOM 1572 CD1 LEU A 175 -29.375 15.360 4.324 1.00 34.82 C ATOM 1573 CD2 LEU A 175 -30.250 14.304 6.440 1.00 33.90 C ATOM 1574 H LEU A 175 -31.869 12.452 3.078 1.00 0.00 H ATOM 1575 N PHE A 176 -34.696 14.060 3.616 1.00 30.64 N ATOM 1576 CA PHE A 176 -36.083 14.435 3.468 1.00 31.58 C ATOM 1577 C PHE A 176 -36.980 13.371 4.111 1.00 34.41 C ATOM 1578 O PHE A 176 -38.066 13.696 4.704 1.00 34.07 O ATOM 1579 CB PHE A 176 -36.407 14.683 1.989 1.00 30.34 C ATOM 1580 CG PHE A 176 -37.762 15.287 1.721 1.00 32.27 C ATOM 1581 CD1 PHE A 176 -38.867 14.488 1.517 1.00 28.64 C ATOM 1582 CD2 PHE A 176 -37.929 16.662 1.637 1.00 37.86 C ATOM 1583 CE1 PHE A 176 -40.114 15.049 1.269 1.00 32.54 C ATOM 1584 CE2 PHE A 176 -39.178 17.226 1.390 1.00 36.09 C ATOM 1585 CZ PHE A 176 -40.273 16.419 1.187 1.00 33.25 C ATOM 1586 H PHE A 176 -34.108 13.936 2.767 1.00 0.00 H ATOM 1587 N THR A 177 -36.576 12.102 3.966 1.00 33.55 N ATOM 1588 CA THR A 177 -37.408 10.977 4.443 1.00 34.32 C ATOM 1589 C THR A 177 -37.428 10.994 5.977 1.00 33.14 C ATOM 1590 O THR A 177 -38.477 10.836 6.576 1.00 32.87 O ATOM 1591 CB THR A 177 -36.916 9.628 3.890 1.00 34.41 C ATOM 1592 OG1 THR A 177 -36.976 9.651 2.462 1.00 37.14 O ATOM 1593 CG2 THR A 177 -37.730 8.449 4.382 1.00 32.54 C ATOM 1594 HG1 THR A 177 -36.399 10.380 2.120 1.00 0.00 H ATOM 1595 H THR A 177 -35.662 11.905 3.510 1.00 0.00 H ATOM 1596 N ILE A 178 -36.263 11.207 6.599 1.00 34.20 N ATOM 1597 CA ILE A 178 -36.205 11.383 8.050 1.00 35.94 C ATOM 1598 C ILE A 178 -37.183 12.484 8.463 1.00 37.91 C ATOM 1599 O ILE A 178 -38.068 12.271 9.338 1.00 34.71 O ATOM 1600 CB ILE A 178 -34.766 11.644 8.527 1.00 42.05 C ATOM 1601 CG1 ILE A 178 -33.921 10.365 8.365 1.00 37.61 C ATOM 1602 CG2 ILE A 178 -34.782 12.178 9.963 1.00 40.75 C ATOM 1603 CD1 ILE A 178 -32.433 10.498 8.630 1.00 34.16 C ATOM 1604 H ILE A 178 -35.385 11.248 6.043 1.00 0.00 H ATOM 1605 N ARG A 179 -37.112 13.612 7.750 1.00 35.10 N ATOM 1606 CA ARG A 179 -37.920 14.748 8.106 1.00 36.80 C ATOM 1607 C ARG A 179 -39.390 14.338 8.093 1.00 36.01 C ATOM 1608 O ARG A 179 -40.139 14.683 9.011 1.00 35.36 O ATOM 1609 CB ARG A 179 -37.645 15.939 7.184 1.00 35.63 C ATOM 1610 CG ARG A 179 -38.676 17.054 7.289 1.00 37.14 C ATOM 1611 CD ARG A 179 -38.326 18.248 6.412 1.00 39.62 C ATOM 1612 NE ARG A 179 -39.496 18.914 5.854 1.00 42.61 N ATOM 1613 CZ ARG A 179 -39.472 19.708 4.782 1.00 43.63 C ATOM 1614 NH1 ARG A 179 -38.332 19.948 4.142 1.00 38.20 N ATOM 1615 NH2 ARG A 179 -40.599 20.220 4.330 1.00 39.21 N ATOM 1616 HE ARG A 179 -40.411 18.760 6.323 1.00 0.00 H ATOM 1617 HH12 ARG A 179 -38.325 20.569 3.307 1.00 0.00 H ATOM 1618 HH11 ARG A 179 -37.447 19.515 4.476 1.00 0.00 H ATOM 1619 HH22 ARG A 179 -40.590 20.840 3.495 1.00 0.00 H ATOM 1620 HH21 ARG A 179 -41.497 20.004 4.808 1.00 0.00 H ATOM 1621 H ARG A 179 -36.470 13.669 6.934 1.00 0.00 H ATOM 1622 N GLN A 180 -39.794 13.599 7.057 1.00 34.89 N ATOM 1623 CA GLN A 180 -41.198 13.345 6.850 1.00 33.43 C ATOM 1624 C GLN A 180 -41.671 12.271 7.822 1.00 36.67 C ATOM 1625 O GLN A 180 -42.830 12.274 8.207 1.00 34.75 O ATOM 1626 CB GLN A 180 -41.507 12.929 5.419 1.00 32.38 C ATOM 1627 CG GLN A 180 -41.398 14.067 4.420 1.00 33.99 C ATOM 1628 CD GLN A 180 -42.347 15.207 4.685 1.00 32.81 C ATOM 1629 OE1 GLN A 180 -42.008 16.344 4.430 1.00 34.99 O ATOM 1630 NE2 GLN A 180 -43.563 14.922 5.119 1.00 33.22 N ATOM 1631 HE22 GLN A 180 -43.823 13.937 5.329 1.00 0.00 H ATOM 1632 HE21 GLN A 180 -44.260 15.683 5.251 1.00 0.00 H ATOM 1633 H GLN A 180 -39.093 13.205 6.397 1.00 0.00 H ATOM 1634 N GLU A 181 -40.767 11.365 8.188 1.00 39.89 N ATOM 1635 CA GLU A 181 -41.057 10.377 9.219 1.00 41.31 C ATOM 1636 C GLU A 181 -41.316 11.097 10.547 1.00 37.80 C ATOM 1637 O GLU A 181 -42.294 10.807 11.246 1.00 37.95 O ATOM 1638 CB GLU A 181 -39.894 9.395 9.371 1.00 44.39 C ATOM 1639 CG GLU A 181 -40.204 7.998 8.883 1.00 51.42 C ATOM 1640 CD GLU A 181 -41.522 7.454 9.397 1.00 52.41 C ATOM 1641 OE1 GLU A 181 -41.752 7.509 10.638 1.00 55.70 O ATOM 1642 OE2 GLU A 181 -42.332 7.023 8.549 1.00 54.09 O ATOM 1643 H GLU A 181 -39.834 11.362 7.728 1.00 0.00 H ATOM 1644 N MET A 182 -40.421 12.031 10.887 1.00 39.83 N ATOM 1645 CA MET A 182 -40.580 12.821 12.113 1.00 42.22 C ATOM 1646 C MET A 182 -41.947 13.498 12.050 1.00 42.03 C ATOM 1647 O MET A 182 -42.744 13.386 12.985 1.00 40.46 O ATOM 1648 CB MET A 182 -39.447 13.835 12.301 1.00 43.15 C ATOM 1649 CG MET A 182 -38.137 13.170 12.726 1.00 43.54 C ATOM 1650 SD MET A 182 -36.850 14.379 13.024 1.00 42.82 S ATOM 1651 CE MET A 182 -35.394 13.403 13.342 1.00 42.72 C ATOM 1652 H MET A 182 -39.599 12.200 10.272 1.00 0.00 H ATOM 1653 N ALA A 183 -42.270 14.076 10.887 1.00 39.36 N ATOM 1654 CA ALA A 183 -43.532 14.787 10.744 1.00 40.23 C ATOM 1655 C ALA A 183 -44.740 13.833 10.867 1.00 43.10 C ATOM 1656 O ALA A 183 -45.738 14.228 11.467 1.00 46.85 O ATOM 1657 CB ALA A 183 -43.530 15.585 9.459 1.00 39.06 C ATOM 1658 H ALA A 183 -41.616 14.017 10.081 1.00 0.00 H ATOM 1659 N SER A 184 -44.665 12.600 10.330 1.00 43.21 N ATOM 1660 CA SER A 184 -45.742 11.595 10.508 1.00 46.66 C ATOM 1661 C SER A 184 -46.089 11.446 11.991 1.00 47.56 C ATOM 1662 O SER A 184 -47.288 11.383 12.368 1.00 44.09 O ATOM 1663 CB SER A 184 -45.355 10.261 9.983 1.00 45.59 C ATOM 1664 OG SER A 184 -45.097 10.368 8.611 1.00 57.57 O ATOM 1665 HG SER A 184 -44.359 11.012 8.464 1.00 0.00 H ATOM 1666 H SER A 184 -43.825 12.344 9.773 1.00 0.00 H ATOM 1667 N ARG A 185 -45.021 11.425 12.799 1.00 46.32 N ATOM 1668 CA ARG A 185 -45.042 11.174 14.235 1.00 47.33 C ATOM 1669 C ARG A 185 -45.097 12.469 15.056 1.00 49.56 C ATOM 1670 O ARG A 185 -44.826 12.459 16.241 1.00 48.94 O ATOM 1671 CB ARG A 185 -43.770 10.423 14.625 1.00 44.04 C ATOM 1672 CG ARG A 185 -43.723 8.998 14.103 1.00 43.32 C ATOM 1673 CD ARG A 185 -42.302 8.489 14.206 1.00 50.63 C ATOM 1674 NE ARG A 185 -42.109 7.287 13.414 1.00 52.13 N ATOM 1675 CZ ARG A 185 -41.757 6.111 13.906 1.00 59.69 C ATOM 1676 NH1 ARG A 185 -41.575 5.956 15.212 1.00 60.94 N ATOM 1677 NH2 ARG A 185 -41.565 5.096 13.081 1.00 55.42 N ATOM 1678 HE ARG A 185 -42.258 7.356 12.387 1.00 0.00 H ATOM 1679 HH12 ARG A 185 -41.298 5.028 15.592 1.00 0.00 H ATOM 1680 HH11 ARG A 185 -41.709 6.762 15.855 1.00 0.00 H ATOM 1681 HH22 ARG A 185 -41.288 4.166 13.456 1.00 0.00 H ATOM 1682 HH21 ARG A 185 -41.691 5.227 12.057 1.00 0.00 H ATOM 1683 H ARG A 185 -44.094 11.604 12.363 1.00 0.00 H ATOM 1684 N SER A 186 -45.425 13.587 14.414 1.00 49.01 N ATOM 1685 CA SER A 186 -45.598 14.827 15.101 1.00 50.49 C ATOM 1686 C SER A 186 -44.327 15.209 15.864 1.00 47.80 C ATOM 1687 O SER A 186 -44.428 15.866 16.862 1.00 51.58 O ATOM 1688 CB SER A 186 -46.796 14.749 16.021 1.00 53.92 C ATOM 1689 OG SER A 186 -47.972 15.157 15.342 1.00 57.84 O ATOM 1690 HG SER A 186 -48.744 15.100 15.959 1.00 0.00 H ATOM 1691 H SER A 186 -45.559 13.557 13.383 1.00 0.00 H ATOM 1692 N LEU A 187 -43.140 14.841 15.361 1.00 46.70 N ATOM 1693 CA LEU A 187 -41.863 15.165 16.041 1.00 41.93 C ATOM 1694 C LEU A 187 -41.064 16.261 15.331 1.00 43.58 C ATOM 1695 O LEU A 187 -40.041 16.735 15.869 1.00 42.68 O ATOM 1696 CB LEU A 187 -41.011 13.902 16.115 1.00 45.64 C ATOM 1697 CG LEU A 187 -41.535 12.805 17.033 1.00 46.83 C ATOM 1698 CD1 LEU A 187 -40.738 11.532 16.820 1.00 52.55 C ATOM 1699 CD2 LEU A 187 -41.477 13.242 18.489 1.00 46.90 C ATOM 1700 H LEU A 187 -43.114 14.312 14.466 1.00 0.00 H ATOM 1701 N TRP A 188 -41.472 16.634 14.109 1.00 42.17 N ATOM 1702 CA TRP A 188 -40.585 17.440 13.272 1.00 40.15 C ATOM 1703 C TRP A 188 -40.498 18.873 13.824 1.00 38.59 C ATOM 1704 O TRP A 188 -39.436 19.492 13.771 1.00 40.00 O ATOM 1705 CB TRP A 188 -41.025 17.398 11.796 1.00 41.37 C ATOM 1706 CG TRP A 188 -40.302 18.406 10.962 1.00 38.00 C ATOM 1707 CD1 TRP A 188 -40.806 19.593 10.509 1.00 35.43 C ATOM 1708 CD2 TRP A 188 -38.909 18.391 10.601 1.00 38.20 C ATOM 1709 NE1 TRP A 188 -39.834 20.297 9.864 1.00 39.32 N ATOM 1710 CE2 TRP A 188 -38.661 19.581 9.889 1.00 38.41 C ATOM 1711 CE3 TRP A 188 -37.849 17.495 10.793 1.00 40.58 C ATOM 1712 CZ2 TRP A 188 -37.410 19.881 9.359 1.00 36.41 C ATOM 1713 CZ3 TRP A 188 -36.612 17.788 10.257 1.00 39.72 C ATOM 1714 CH2 TRP A 188 -36.399 18.967 9.545 1.00 38.82 C ATOM 1715 HE1 TRP A 188 -39.960 21.230 9.422 1.00 0.00 H ATOM 1716 H TRP A 188 -42.410 16.352 13.760 1.00 0.00 H ATOM 1717 N ASP A 189 -41.595 19.381 14.390 1.00 40.07 N ATOM 1718 CA ASP A 189 -41.639 20.780 14.906 1.00 47.39 C ATOM 1719 C ASP A 189 -40.660 20.997 16.060 1.00 45.41 C ATOM 1720 O ASP A 189 -40.010 22.035 16.129 1.00 48.71 O ATOM 1721 CB ASP A 189 -43.032 21.183 15.370 1.00 48.03 C ATOM 1722 CG ASP A 189 -43.838 21.814 14.261 1.00 57.53 C ATOM 1723 OD1 ASP A 189 -43.278 22.669 13.538 1.00 67.70 O ATOM 1724 OD2 ASP A 189 -45.013 21.447 14.131 1.00 68.48 O ATOM 1725 H ASP A 189 -42.443 18.785 14.474 1.00 0.00 H ATOM 1726 N SER A 190 -40.572 20.020 16.963 1.00 44.01 N ATOM 1727 CA SER A 190 -39.603 20.106 18.016 1.00 43.39 C ATOM 1728 C SER A 190 -38.210 20.108 17.387 1.00 43.09 C ATOM 1729 O SER A 190 -37.338 20.923 17.721 1.00 43.29 O ATOM 1730 CB SER A 190 -39.769 18.982 19.018 1.00 46.75 C ATOM 1731 OG SER A 190 -38.660 18.941 19.917 1.00 47.63 O ATOM 1732 HG SER A 190 -38.787 18.201 20.563 1.00 0.00 H ATOM 1733 H SER A 190 -41.205 19.197 16.904 1.00 0.00 H ATOM 1734 N PHE A 191 -38.015 19.178 16.449 1.00 44.63 N ATOM 1735 CA PHE A 191 -36.688 18.899 15.915 1.00 37.82 C ATOM 1736 C PHE A 191 -36.151 20.126 15.160 1.00 38.41 C ATOM 1737 O PHE A 191 -35.009 20.542 15.369 1.00 43.44 O ATOM 1738 CB PHE A 191 -36.739 17.606 15.095 1.00 41.73 C ATOM 1739 CG PHE A 191 -35.391 17.135 14.623 1.00 40.09 C ATOM 1740 CD1 PHE A 191 -34.426 16.724 15.530 1.00 39.02 C ATOM 1741 CD2 PHE A 191 -35.076 17.138 13.276 1.00 40.36 C ATOM 1742 CE1 PHE A 191 -33.179 16.310 15.098 1.00 40.09 C ATOM 1743 CE2 PHE A 191 -33.823 16.734 12.845 1.00 37.94 C ATOM 1744 CZ PHE A 191 -32.878 16.322 13.751 1.00 40.49 C ATOM 1745 H PHE A 191 -38.830 18.640 16.091 1.00 0.00 H ATOM 1746 N ARG A 192 -36.984 20.735 14.315 1.00 42.07 N ATOM 1747 CA ARG A 192 -36.545 21.853 13.480 1.00 45.84 C ATOM 1748 C ARG A 192 -36.247 23.090 14.339 1.00 49.56 C ATOM 1749 O ARG A 192 -35.363 23.833 13.994 1.00 49.83 O ATOM 1750 CB ARG A 192 -37.585 22.214 12.417 1.00 46.39 C ATOM 1751 CG ARG A 192 -38.834 22.859 12.987 1.00 49.16 C ATOM 1752 CD ARG A 192 -39.832 23.238 11.920 1.00 52.20 C ATOM 1753 NE ARG A 192 -41.011 23.866 12.496 1.00 50.30 N ATOM 1754 CZ ARG A 192 -41.073 25.142 12.864 1.00 47.55 C ATOM 1755 NH1 ARG A 192 -40.001 25.911 12.779 1.00 42.20 N ATOM 1756 NH2 ARG A 192 -42.206 25.626 13.340 1.00 52.62 N ATOM 1757 HE ARG A 192 -41.859 23.279 12.628 1.00 0.00 H ATOM 1758 HH12 ARG A 192 -40.053 26.909 13.068 1.00 0.00 H ATOM 1759 HH11 ARG A 192 -39.106 25.518 12.424 1.00 0.00 H ATOM 1760 HH22 ARG A 192 -42.264 26.623 13.630 1.00 0.00 H ATOM 1761 HH21 ARG A 192 -43.040 25.010 13.424 1.00 0.00 H ATOM 1762 H ARG A 192 -37.969 20.407 14.248 1.00 0.00 H ATOM 1763 N GLN A 193 -37.001 23.308 15.431 1.00 50.76 N ATOM 1764 CA GLN A 193 -36.828 24.509 16.275 1.00 46.13 C ATOM 1765 C GLN A 193 -35.689 24.305 17.270 1.00 47.97 C ATOM 1766 O GLN A 193 -35.231 25.254 17.920 1.00 54.27 O ATOM 1767 CB GLN A 193 -38.109 24.859 17.015 1.00 45.34 C ATOM 1768 CG GLN A 193 -39.162 25.451 16.108 1.00 44.12 C ATOM 1769 CD GLN A 193 -40.344 25.886 16.928 1.00 44.83 C ATOM 1770 OE1 GLN A 193 -40.309 26.933 17.552 1.00 46.82 O ATOM 1771 NE2 GLN A 193 -41.388 25.076 16.937 1.00 44.70 N ATOM 1772 HE22 GLN A 193 -41.366 24.194 16.387 1.00 0.00 H ATOM 1773 HE21 GLN A 193 -42.231 25.321 17.494 1.00 0.00 H ATOM 1774 H GLN A 193 -37.728 22.610 15.689 1.00 0.00 H ATOM 1775 N SER A 194 -35.226 23.063 17.383 1.00 45.94 N ATOM 1776 CA SER A 194 -34.007 22.800 18.083 1.00 46.81 C ATOM 1777 C SER A 194 -32.821 22.958 17.121 1.00 47.80 C ATOM 1778 O SER A 194 -32.950 22.810 15.929 1.00 54.62 O ATOM 1779 CB SER A 194 -34.046 21.440 18.714 1.00 46.86 C ATOM 1780 OG SER A 194 -32.809 21.199 19.331 1.00 51.96 O ATOM 1781 HG SER A 194 -32.821 20.303 19.752 1.00 0.00 H ATOM 1782 H SER A 194 -35.756 22.275 16.958 1.00 0.00 H ATOM 1783 N GLU A 195 -31.667 23.307 17.675 1.00 53.74 N ATOM 1784 CA GLU A 195 -30.419 23.350 16.977 1.00 53.14 C ATOM 1785 C GLU A 195 -29.447 22.360 17.624 1.00 58.76 C ATOM 1786 O GLU A 195 -28.291 22.281 17.219 1.00 56.61 O ATOM 1787 CB GLU A 195 -29.773 24.722 17.119 1.00 54.11 C ATOM 1788 CG GLU A 195 -30.646 25.858 16.669 1.00 58.70 C ATOM 1789 CD GLU A 195 -29.900 27.177 16.666 1.00 72.77 C ATOM 1790 OE1 GLU A 195 -28.645 27.151 16.763 1.00 73.98 O ATOM 1791 OE2 GLU A 195 -30.573 28.228 16.579 1.00 79.35 O ATOM 1792 H GLU A 195 -31.670 23.566 18.682 1.00 0.00 H ATOM 1793 N ARG A 196 -29.908 21.646 18.658 1.00 54.29 N ATOM 1794 CA ARG A 196 -29.056 20.706 19.391 1.00 62.16 C ATOM 1795 C ARG A 196 -28.623 19.556 18.455 1.00 58.44 C ATOM 1796 O ARG A 196 -29.460 18.875 17.829 1.00 53.44 O ATOM 1797 CB ARG A 196 -29.781 20.203 20.647 1.00 65.63 C ATOM 1798 CG ARG A 196 -30.326 21.319 21.529 1.00 67.53 C ATOM 1799 CD ARG A 196 -29.768 21.241 22.931 1.00 70.53 C ATOM 1800 NE ARG A 196 -30.194 22.368 23.747 1.00 68.45 N ATOM 1801 CZ ARG A 196 -31.178 22.315 24.631 1.00 69.07 C ATOM 1802 NH1 ARG A 196 -31.778 21.161 24.882 1.00 69.65 N ATOM 1803 NH2 ARG A 196 -31.557 23.413 25.259 1.00 66.47 N ATOM 1804 HE ARG A 196 -29.694 23.272 23.628 1.00 0.00 H ATOM 1805 HH12 ARG A 196 -32.551 21.117 25.576 1.00 0.00 H ATOM 1806 HH11 ARG A 196 -31.476 20.299 24.385 1.00 0.00 H ATOM 1807 HH22 ARG A 196 -32.330 23.374 25.954 1.00 0.00 H ATOM 1808 HH21 ARG A 196 -31.083 24.317 25.059 1.00 0.00 H ATOM 1809 H ARG A 196 -30.900 21.762 18.950 1.00 0.00 H ATOM 1810 N GLY A 197 -27.303 19.358 18.359 1.00 59.44 N ATOM 1811 CA GLY A 197 -26.687 18.413 17.421 1.00 55.94 C ATOM 1812 C GLY A 197 -25.958 19.118 16.287 1.00 55.83 C ATOM 1813 O GLY A 197 -25.109 18.488 15.646 1.00 59.17 O ATOM 1814 H GLY A 197 -26.678 19.905 18.985 1.00 0.00 H ATOM 1815 N GLU A 198 -26.298 20.400 16.030 1.00 55.62 N ATOM 1816 CA GLU A 198 -25.602 21.271 15.037 1.00 53.15 C ATOM 1817 C GLU A 198 -24.451 22.005 15.746 1.00 50.75 C ATOM 1818 O GLU A 198 -23.462 22.329 15.093 1.00 47.81 O ATOM 1819 CB GLU A 198 -26.559 22.275 14.370 1.00 51.57 C ATOM 1820 CG GLU A 198 -27.546 21.632 13.413 1.00 49.49 C ATOM 1821 CD GLU A 198 -28.612 22.511 12.757 1.00 44.66 C ATOM 1822 OE1 GLU A 198 -29.721 22.006 12.629 1.00 40.40 O ATOM 1823 OE2 GLU A 198 -28.330 23.656 12.291 1.00 40.58 O ATOM 1824 H GLU A 198 -27.096 20.807 16.558 1.00 0.00 H TER 1825 GLU A 198 HETATM 1826 MN MN A 1 -17.502 15.403 12.831 1.00 40.85 MN HETATM 1827 MN MN A 2 -19.853 17.196 10.673 1.00 36.95 MN HETATM 1828 O HOH 3 -15.939 16.988 12.173 1.00 32.82 O HETATM 1829 O HOH 4 -14.475 10.452 15.025 1.00 47.06 O HETATM 1830 O HOH 5 -37.665 15.223 20.657 1.00 36.41 O HETATM 1831 O HOH 6 -22.678 12.283 14.263 1.00 38.19 O HETATM 1832 O HOH 7 -18.041 18.879 -1.259 1.00 37.03 O HETATM 1833 O HOH 8 -23.678 19.012 11.243 1.00 31.66 O HETATM 1834 O HOH 9 -15.608 13.958 13.035 1.00 39.83 O HETATM 1835 O HOH 10 -32.701 16.981 2.061 1.00 44.28 O HETATM 1836 O HOH 11 -25.018 17.713 12.998 1.00 46.46 O HETATM 1837 O HOH 12 -14.011 16.792 -1.374 1.00 49.86 O HETATM 1838 O HOH 13 -44.256 17.883 13.735 1.00 43.35 O HETATM 1839 O HOH 14 -20.977 10.544 15.492 1.00 57.88 O HETATM 1840 O HOH 15 -17.079 20.365 13.334 1.00 50.69 O HETATM 1841 OAF HWA A 16 -18.104 16.563 16.558 1.00 -0.55 O HETATM 1842 CAE HWA A 16 -18.145 16.584 15.314 1.00 0.12 C HETATM 1843 OAK HWA A 16 -17.262 15.934 14.649 1.00 -0.55 O HETATM 1844 CAD HWA A 16 -19.209 17.343 14.796 1.00 0.14 C HETATM 1845 NAC HWA A 16 -19.911 18.077 15.778 1.00 -0.26 N HETATM 1846 CAB HWA A 16 -21.035 18.872 15.458 1.00 0.02 C HETATM 1847 CAA HWA A 16 -21.729 19.606 16.492 1.00 -0.01 C HETATM 1848 H1 HWA A 16 -22.569 20.160 16.048 1.00 0.05 H HETATM 1849 H2 HWA A 16 -21.035 20.314 16.968 1.00 0.05 H HETATM 1850 H3 HWA A 16 -22.111 18.903 17.247 1.00 0.05 H HETATM 1851 CAG HWA A 16 -21.456 18.930 14.121 1.00 -0.01 C HETATM 1852 CAH HWA A 16 -20.798 18.205 13.120 1.00 0.14 C HETATM 1853 OAL HWA A 16 -21.247 18.306 11.954 1.00 -0.41 O HETATM 1854 CAI HWA A 16 -19.667 17.419 13.472 1.00 0.19 C HETATM 1855 OAJ HWA A 16 -19.032 16.703 12.522 1.00 -0.35 O HETATM 1856 H6 HWA A 16 -18.303 16.236 12.913 1.00 0.22 H HETATM 1857 H5 HWA A 16 -19.007 18.279 13.286 1.00 0.11 H HETATM 1858 H4 HWA A 16 -22.311 19.551 13.857 1.00 0.04 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 412 410 411 1827 CONECT 518 519 528 529 530 CONECT 528 518 CONECT 529 518 CONECT 530 518 CONECT 596 594 1826 CONECT 865 864 1826 CONECT 866 864 1827 CONECT 994 992 1827 CONECT 999 998 1827 CONECT 1826 596 865 CONECT 1827 412 866 994 999 CONECT 1841 1842 CONECT 1842 1841 1843 1844 CONECT 1843 1842 CONECT 1844 1842 1845 1854 CONECT 1845 1844 1846 CONECT 1846 1845 1847 1851 CONECT 1847 1846 1848 1849 1850 CONECT 1848 1847 CONECT 1849 1847 CONECT 1850 1847 CONECT 1851 1846 1852 1858 CONECT 1852 1851 1853 1854 CONECT 1853 1852 CONECT 1854 1844 1852 1855 1857 CONECT 1855 1854 1856 CONECT 1856 1855 CONECT 1857 1854 CONECT 1858 1851 MASTER 0 0 0 0 0 0 0 0 1856 2 34 15 END
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Pocket-Ligand
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Related entries of code: 6e6v
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4avg
RCSB PDB
PDBbind
204aa, >4AVG_1|Chains... at 97%
4awf
RCSB PDB
PDBbind
204aa, >4AWF_1|Chains... at 97%
4awg
RCSB PDB
PDBbind
204aa, >4AWG_1|Chains... at 97%
4awm
RCSB PDB
PDBbind
192aa, >4AWM_1|Chain... at 96%
4e5f
RCSB PDB
PDBbind
187aa, >4E5F_1|Chains... at 91%
4e5g
RCSB PDB
PDBbind
187aa, >4E5G_1|Chains... at 91%
4e5h
RCSB PDB
PDBbind
187aa, >4E5H_1|Chains... at 91%
4e5i
RCSB PDB
PDBbind
187aa, >4E5I_1|Chains... at 91%
4e5j
RCSB PDB
PDBbind
187aa, >4E5J_1|Chains... at 91%
4kil
RCSB PDB
PDBbind
213aa, >4KIL_1|Chain... at 98%
4ln7
RCSB PDB
PDBbind
209aa, >4LN7_1|Chain... at 100%
4m4q
RCSB PDB
PDBbind
241aa, >4M4Q_1|Chain... *
4m5o
RCSB PDB
PDBbind
241aa, >4M5O_1|Chain... at 100%
4m5r
RCSB PDB
PDBbind
241aa, >4M5R_1|Chain... at 100%
4m5u
RCSB PDB
PDBbind
241aa, >4M5U_1|Chain... at 100%
4mk1
RCSB PDB
PDBbind
241aa, >4MK1_1|Chain... at 100%
4mk2
RCSB PDB
PDBbind
241aa, >4MK2_1|Chain... at 100%
4mk5
RCSB PDB
PDBbind
241aa, >4MK5_1|Chain... at 100%
4w9s
RCSB PDB
PDBbind
241aa, >4W9S_1|Chain... at 100%
5cgv
RCSB PDB
PDBbind
187aa, >5CGV_1|Chain... at 94%
5ega
RCSB PDB
PDBbind
187aa, >5EGA_1|Chain... at 94%
5w44
RCSB PDB
PDBbind
178aa, >5W44_1|Chain... at 98%
5w73
RCSB PDB
PDBbind
197aa, >5W73_1|Chain... at 93%
5w7u
RCSB PDB
PDBbind
197aa, >5W7U_1|Chain... at 93%
5w92
RCSB PDB
PDBbind
197aa, >5W92_1|Chain... at 93%
5w9g
RCSB PDB
PDBbind
197aa, >5W9G_1|Chain... at 93%
5wa7
RCSB PDB
PDBbind
197aa, >5WA7_1|Chain... at 93%
5wap
RCSB PDB
PDBbind
197aa, >5WAP_1|Chain... at 93%
5wb3
RCSB PDB
PDBbind
197aa, >5WB3_1|Chain... at 93%
5wdc
RCSB PDB
PDBbind
197aa, >5WDC_1|Chain... at 93%
5wdw
RCSB PDB
PDBbind
197aa, >5WDW_1|Chain... at 93%
5we9
RCSB PDB
PDBbind
187aa, >5WE9_1|Chain... at 94%
5web
RCSB PDB
PDBbind
197aa, >5WEB_1|Chain... at 93%
5wef
RCSB PDB
PDBbind
187aa, >5WEF_1|Chain... at 93%
5wei
RCSB PDB
PDBbind
197aa, >5WEI_1|Chain... at 92%
5wf3
RCSB PDB
PDBbind
197aa, >5WF3_1|Chain... at 92%
5wfm
RCSB PDB
PDBbind
197aa, >5WFM_1|Chain... at 92%
5wfw
RCSB PDB
PDBbind
197aa, >5WFW_1|Chain... at 92%
5wfz
RCSB PDB
PDBbind
197aa, >5WFZ_1|Chain... at 92%
5wg9
RCSB PDB
PDBbind
197aa, >5WG9_1|Chain... at 92%
6dcy
RCSB PDB
PDBbind
192aa, >6DCY_1|Chain... at 96%
6dcz
RCSB PDB
PDBbind
192aa, >6DCZ_1|Chain... at 96%
6dzq
RCSB PDB
PDBbind
192aa, >6DZQ_1|Chain... at 96%
6e0q
RCSB PDB
PDBbind
192aa, >6E0Q_1|Chain... at 96%
6nem
RCSB PDB
PDBbind
241aa, >6NEM_1|Chain... at 100%
6nel
RCSB PDB
PDBbind
241aa, >6NEL_1|Chain... at 100%
6e6w
RCSB PDB
PDBbind
192aa, >6E6W_1|Chain... at 96%
6e4c
RCSB PDB
PDBbind
192aa, >6E4C_1|Chain... at 96%
6e3p
RCSB PDB
PDBbind
192aa, >6E3P_1|Chain... at 96%
6e3n
RCSB PDB
PDBbind
192aa, >6E3N_1|Chain... at 96%
6e3o
RCSB PDB
PDBbind
192aa, >6E3O_1|Chain... at 96%
6e3m
RCSB PDB
PDBbind
192aa, >6E3M_1|Chain... at 96%
5wa6
RCSB PDB
PDBbind
197aa, >5WA6_1|Chain... at 93%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6e6v
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Polymerase acidic protein
Ligand Name
HWA
EC.Number
E.C.-.-.-.-
Resolution
2.25(Å)
Affinity (Kd/Ki/IC50)
IC50=17nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Med.Chem. Vol. 62: pp. 9438-9449
Ligand Properties
Formula
C
7
H
7
NO
4
Molecular Weight
169.135
Exact Mass
169.038
No. of atoms
19
No. of bonds
19
Polar Surface Area
86.96
LOGP Value
0.92 (
Computed with XLOGP3
)
-1.21 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 1
Canonical SMILES
O=C1C=C(C)N=C([C@H]1O)C(=O)O
InChI String
InChI=1S/C7H7NO4/c1-3-2-4(9)6(10)5(8-3)7(11)12/h2,6,10H,1H3,(H,11,12)/t6-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
C3W5S0
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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