Browse entries in the PDBbind-CN Database
HEADER 6MIQ_COMPLEX COMPND 6MIQ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 141 PRO LEU GLY SER MET VAL ALA THR VAL LYS ARG THR ILE SEQRES 2 A 141 ARG ILE LYS THR GLN GLN HIS ILE LEU PRO GLU VAL PRO SEQRES 3 A 141 PRO VAL GLU ASN PHE PRO VAL ARG GLN TRP SER ILE GLU SEQRES 4 A 141 ILE VAL LEU LEU ASP ASP GLU GLY LYS GLU ILE PRO ALA SEQRES 5 A 141 THR ILE PHE ASP LYS VAL ILE TYR HIS LEU HIS PRO THR SEQRES 6 A 141 PHE ALA ASN PRO ASN ARG THR PHE THR ASP PRO PRO PHE SEQRES 7 A 141 ARG ILE GLU GLU GLN GLY TRP GLY GLY PHE PRO LEU ASP SEQRES 8 A 141 ILE SER VAL PHE LEU LEU GLU LYS ALA GLY GLU ARG LYS SEQRES 9 A 141 ILE PRO HIS ASP LEU ASN PHE LEU GLN GLU SER TYR GLU SEQRES 10 A 141 VAL GLU HIS VAL ILE GLN ILE PRO LEU ASN LYS PRO LEU SEQRES 11 A 141 LEU THR GLU GLU LEU ALA LYS SER GLY SER THR HET ACE A 348 104 ATOM 1 N PRO A -3 -43.854 138.360 12.300 1.00 78.19 N ATOM 2 CA PRO A -3 -42.850 139.351 12.694 1.00 73.32 C ATOM 3 C PRO A -3 -43.460 140.552 13.418 1.00 68.42 C ATOM 4 O PRO A -3 -44.684 140.673 13.482 1.00 70.80 O ATOM 5 CB PRO A -3 -42.233 139.770 11.355 1.00 71.46 C ATOM 6 CG PRO A -3 -43.268 139.410 10.299 1.00 71.69 C ATOM 7 CD PRO A -3 -44.374 138.620 10.948 1.00 76.09 C ATOM 8 HN2 PRO A -3 -44.643 138.392 12.977 1.00 0.00 H ATOM 9 HN1 PRO A -3 -43.421 137.415 12.319 1.00 0.00 H ATOM 10 N LEU A -2 -42.608 141.421 13.960 1.00 57.96 N ATOM 11 CA LEU A -2 -43.029 142.642 14.630 1.00 51.67 C ATOM 12 C LEU A -2 -42.357 143.847 13.986 1.00 42.86 C ATOM 13 O LEU A -2 -41.210 143.767 13.536 1.00 39.19 O ATOM 14 CB LEU A -2 -42.680 142.621 16.127 1.00 46.56 C ATOM 15 CG LEU A -2 -43.691 142.089 17.144 1.00 52.16 C ATOM 16 CD1 LEU A -2 -43.120 142.221 18.548 1.00 55.14 C ATOM 17 CD2 LEU A -2 -45.035 142.797 17.036 1.00 47.57 C ATOM 18 H LEU A -2 -41.590 141.216 13.901 1.00 0.00 H ATOM 19 N GLY A -1 -43.086 144.962 13.950 1.00 35.70 N ATOM 20 CA GLY A -1 -42.497 146.237 13.564 1.00 38.50 C ATOM 21 C GLY A -1 -41.910 146.227 12.165 1.00 44.17 C ATOM 22 O GLY A -1 -42.532 145.763 11.199 1.00 36.13 O ATOM 23 H GLY A -1 -44.094 144.921 14.202 1.00 0.00 H ATOM 24 N SER A 0 -40.682 146.745 12.053 1.00 41.66 N ATOM 25 CA SER A 0 -40.027 146.850 10.755 1.00 40.64 C ATOM 26 C SER A 0 -39.862 145.497 10.081 1.00 40.13 C ATOM 27 O SER A 0 -39.751 145.436 8.850 1.00 40.04 O ATOM 28 CB SER A 0 -38.658 147.523 10.907 1.00 47.06 C ATOM 29 OG SER A 0 -37.729 146.666 11.558 1.00 44.66 O ATOM 30 HG SER A 0 -36.857 147.128 11.641 1.00 0.00 H ATOM 31 H SER A 0 -40.187 147.078 12.905 1.00 0.00 H ATOM 32 N MET A 1 -39.841 144.413 10.854 1.00 38.34 N ATOM 33 CA MET A 1 -39.663 143.093 10.269 1.00 32.33 C ATOM 34 C MET A 1 -40.914 142.589 9.565 1.00 32.74 C ATOM 35 O MET A 1 -40.845 141.563 8.879 1.00 36.58 O ATOM 36 CB MET A 1 -39.217 142.109 11.351 1.00 34.82 C ATOM 37 CG MET A 1 -37.723 142.183 11.624 1.00 57.35 C ATOM 38 SD MET A 1 -37.092 140.837 12.636 1.00 65.42 S ATOM 39 CE MET A 1 -35.395 141.371 12.859 1.00 70.52 C ATOM 40 H MET A 1 -39.953 144.511 11.883 1.00 0.00 H ATOM 41 N VAL A 2 -42.047 143.286 9.699 1.00 35.54 N ATOM 42 CA VAL A 2 -43.221 142.890 8.929 1.00 35.07 C ATOM 43 C VAL A 2 -42.986 143.123 7.438 1.00 38.56 C ATOM 44 O VAL A 2 -43.453 142.341 6.605 1.00 40.61 O ATOM 45 CB VAL A 2 -44.474 143.626 9.440 1.00 40.74 C ATOM 46 CG1 VAL A 2 -45.681 143.289 8.573 1.00 42.85 C ATOM 47 CG2 VAL A 2 -44.745 143.260 10.894 1.00 43.85 C ATOM 48 H VAL A 2 -42.091 144.100 10.344 1.00 0.00 H ATOM 49 N ALA A 3 -42.222 144.156 7.074 1.00 29.77 N ATOM 50 CA ALA A 3 -42.010 144.508 5.672 1.00 25.61 C ATOM 51 C ALA A 3 -40.917 143.666 5.022 1.00 23.34 C ATOM 52 O ALA A 3 -40.008 144.204 4.378 1.00 23.17 O ATOM 53 CB ALA A 3 -41.661 145.989 5.548 1.00 32.30 C ATOM 54 H ALA A 3 -41.763 144.728 7.812 1.00 0.00 H ATOM 55 N THR A 4 -40.991 142.347 5.181 1.00 22.93 N ATOM 56 CA THR A 4 -39.999 141.438 4.624 1.00 21.67 C ATOM 57 C THR A 4 -40.712 140.239 4.013 1.00 23.80 C ATOM 58 O THR A 4 -41.894 140.005 4.252 1.00 23.81 O ATOM 59 CB THR A 4 -39.006 140.956 5.693 1.00 27.33 C ATOM 60 OG1 THR A 4 -39.727 140.281 6.732 1.00 26.18 O ATOM 61 CG2 THR A 4 -38.242 142.137 6.298 1.00 33.23 C ATOM 62 HG1 THR A 4 -40.207 139.505 6.348 1.00 0.00 H ATOM 63 H THR A 4 -41.786 141.951 5.722 1.00 0.00 H ATOM 64 N VAL A 5 -39.975 139.467 3.224 1.00 21.98 N ATOM 65 CA VAL A 5 -40.447 138.195 2.698 1.00 22.54 C ATOM 66 C VAL A 5 -39.410 137.142 3.058 1.00 22.65 C ATOM 67 O VAL A 5 -38.228 137.450 3.223 1.00 23.89 O ATOM 68 CB VAL A 5 -40.675 138.262 1.168 1.00 23.32 C ATOM 69 CG1 VAL A 5 -39.352 138.434 0.423 1.00 22.29 C ATOM 70 CG2 VAL A 5 -41.415 137.038 0.685 1.00 30.90 C ATOM 71 H VAL A 5 -39.018 139.785 2.971 1.00 0.00 H ATOM 72 N LYS A 6 -39.846 135.897 3.192 1.00 20.37 N ATOM 73 CA LYS A 6 -38.919 134.805 3.464 1.00 19.46 C ATOM 74 C LYS A 6 -38.552 134.109 2.158 1.00 24.77 C ATOM 75 O LYS A 6 -39.396 133.947 1.273 1.00 24.14 O ATOM 76 CB LYS A 6 -39.529 133.805 4.444 1.00 26.62 C ATOM 77 CG LYS A 6 -39.579 134.341 5.871 1.00 30.59 C ATOM 78 CD LYS A 6 -40.299 133.396 6.806 1.00 44.16 C ATOM 79 CE LYS A 6 -39.939 133.702 8.253 1.00 58.82 C ATOM 80 NZ LYS A 6 -40.558 132.749 9.213 1.00 65.50 N ATOM 81 HZ1 LYS A 6 -41.593 132.794 9.125 1.00 0.00 H ATOM 82 HZ2 LYS A 6 -40.233 131.784 9.000 1.00 0.00 H ATOM 83 HZ3 LYS A 6 -40.279 133.005 10.182 1.00 0.00 H ATOM 84 H LYS A 6 -40.863 135.697 3.102 1.00 0.00 H ATOM 85 N ARG A 7 -37.286 133.718 2.028 1.00 19.94 N ATOM 86 CA ARG A 7 -36.862 132.872 0.918 1.00 18.94 C ATOM 87 C ARG A 7 -35.981 131.761 1.465 1.00 21.19 C ATOM 88 O ARG A 7 -35.274 131.943 2.458 1.00 22.48 O ATOM 89 CB ARG A 7 -36.075 133.650 -0.156 1.00 19.89 C ATOM 90 CG ARG A 7 -36.931 134.580 -1.017 1.00 18.89 C ATOM 91 CD ARG A 7 -37.783 133.802 -2.007 1.00 21.69 C ATOM 92 NE ARG A 7 -38.529 134.687 -2.911 1.00 25.46 N ATOM 93 CZ ARG A 7 -39.708 135.219 -2.620 1.00 28.35 C ATOM 94 NH1 ARG A 7 -40.265 134.977 -1.443 1.00 28.04 N ATOM 95 NH2 ARG A 7 -40.331 135.994 -3.500 1.00 27.20 N ATOM 96 HE ARG A 7 -38.107 134.910 -3.835 1.00 0.00 H ATOM 97 HH12 ARG A 7 -41.190 135.392 -1.210 1.00 0.00 H ATOM 98 HH11 ARG A 7 -39.778 134.372 -0.752 1.00 0.00 H ATOM 99 HH22 ARG A 7 -41.256 136.408 -3.265 1.00 0.00 H ATOM 100 HH21 ARG A 7 -39.894 136.187 -4.424 1.00 0.00 H ATOM 101 H ARG A 7 -36.584 134.022 2.733 1.00 0.00 H ATOM 102 N THR A 8 -36.021 130.618 0.797 1.00 18.61 N ATOM 103 CA THR A 8 -35.209 129.468 1.169 1.00 20.58 C ATOM 104 C THR A 8 -34.018 129.371 0.223 1.00 19.66 C ATOM 105 O THR A 8 -34.183 129.308 -0.999 1.00 22.45 O ATOM 106 CB THR A 8 -36.027 128.178 1.133 1.00 24.81 C ATOM 107 OG1 THR A 8 -37.091 128.244 2.097 1.00 25.56 O ATOM 108 CG2 THR A 8 -35.136 126.989 1.472 1.00 23.84 C ATOM 109 HG1 THR A 8 -37.615 127.405 2.066 1.00 0.00 H ATOM 110 H THR A 8 -36.656 130.539 -0.023 1.00 0.00 H ATOM 111 N ILE A 9 -32.832 129.364 0.806 1.00 17.16 N ATOM 112 CA ILE A 9 -31.566 129.134 0.130 1.00 15.47 C ATOM 113 C ILE A 9 -31.189 127.671 0.311 1.00 18.39 C ATOM 114 O ILE A 9 -31.493 127.060 1.342 1.00 20.65 O ATOM 115 CB ILE A 9 -30.490 130.064 0.718 1.00 16.83 C ATOM 116 CG1 ILE A 9 -30.975 131.519 0.678 1.00 20.39 C ATOM 117 CG2 ILE A 9 -29.200 129.904 -0.018 1.00 17.41 C ATOM 118 CD1 ILE A 9 -31.345 131.979 -0.711 1.00 24.46 C ATOM 119 H ILE A 9 -32.802 129.537 1.831 1.00 0.00 H ATOM 120 N ARG A 10 -30.519 127.098 -0.687 1.00 18.40 N ATOM 121 CA ARG A 10 -29.973 125.755 -0.557 1.00 19.85 C ATOM 122 C ARG A 10 -28.469 125.841 -0.754 1.00 21.89 C ATOM 123 O ARG A 10 -27.996 126.325 -1.792 1.00 19.31 O ATOM 124 CB ARG A 10 -30.603 124.791 -1.560 1.00 18.22 C ATOM 125 CG ARG A 10 -30.047 123.376 -1.455 1.00 20.30 C ATOM 126 CD ARG A 10 -30.769 122.475 -2.437 1.00 25.14 C ATOM 127 NE ARG A 10 -32.091 122.121 -1.951 1.00 27.26 N ATOM 128 CZ ARG A 10 -33.093 121.746 -2.738 1.00 31.73 C ATOM 129 NH1 ARG A 10 -32.916 121.684 -4.053 1.00 30.30 N ATOM 130 NH2 ARG A 10 -34.271 121.429 -2.208 1.00 33.16 N ATOM 131 HE ARG A 10 -32.263 122.164 -0.926 1.00 0.00 H ATOM 132 HH12 ARG A 10 -33.700 121.390 -4.670 1.00 0.00 H ATOM 133 HH11 ARG A 10 -31.993 121.929 -4.466 1.00 0.00 H ATOM 134 HH22 ARG A 10 -35.056 121.135 -2.824 1.00 0.00 H ATOM 135 HH21 ARG A 10 -34.407 121.475 -1.178 1.00 0.00 H ATOM 136 H ARG A 10 -30.383 127.620 -1.576 1.00 0.00 H ATOM 137 N ILE A 11 -27.735 125.401 0.258 1.00 19.56 N ATOM 138 CA ILE A 11 -26.282 125.306 0.225 1.00 17.39 C ATOM 139 C ILE A 11 -25.931 123.884 -0.190 1.00 18.20 C ATOM 140 O ILE A 11 -26.398 122.916 0.426 1.00 20.93 O ATOM 141 CB ILE A 11 -25.689 125.660 1.598 1.00 15.43 C ATOM 142 CG1 ILE A 11 -26.234 127.012 2.067 1.00 21.07 C ATOM 143 CG2 ILE A 11 -24.163 125.655 1.574 1.00 17.07 C ATOM 144 CD1 ILE A 11 -25.751 127.418 3.415 1.00 32.83 C ATOM 145 H ILE A 11 -28.225 125.106 1.127 1.00 0.00 H ATOM 146 N LYS A 12 -25.119 123.762 -1.237 1.00 19.48 N ATOM 147 CA LYS A 12 -24.790 122.486 -1.857 1.00 17.51 C ATOM 148 C LYS A 12 -23.302 122.240 -1.683 1.00 18.40 C ATOM 149 O LYS A 12 -22.478 123.024 -2.163 1.00 18.75 O ATOM 150 CB LYS A 12 -25.180 122.490 -3.338 1.00 24.04 C ATOM 151 CG LYS A 12 -26.665 122.758 -3.550 1.00 25.07 C ATOM 152 CD LYS A 12 -27.001 123.083 -5.005 1.00 29.26 C ATOM 153 CE LYS A 12 -26.889 121.864 -5.887 1.00 35.46 C ATOM 154 NZ LYS A 12 -27.400 122.131 -7.263 1.00 38.27 N ATOM 155 HZ1 LYS A 12 -28.401 122.408 -7.212 1.00 0.00 H ATOM 156 HZ2 LYS A 12 -26.847 122.900 -7.694 1.00 0.00 H ATOM 157 HZ3 LYS A 12 -27.307 121.270 -7.839 1.00 0.00 H ATOM 158 H LYS A 12 -24.696 124.625 -1.634 1.00 0.00 H ATOM 159 N THR A 13 -22.964 121.149 -1.008 1.00 18.37 N ATOM 160 CA THR A 13 -21.588 120.842 -0.667 1.00 19.67 C ATOM 161 C THR A 13 -21.207 119.507 -1.286 1.00 19.90 C ATOM 162 O THR A 13 -22.021 118.576 -1.307 1.00 22.29 O ATOM 163 CB THR A 13 -21.411 120.794 0.854 1.00 19.71 C ATOM 164 OG1 THR A 13 -21.839 122.038 1.428 1.00 18.87 O ATOM 165 CG2 THR A 13 -19.960 120.547 1.204 1.00 21.33 C ATOM 166 HG1 THR A 13 -22.793 122.189 1.212 1.00 0.00 H ATOM 167 H THR A 13 -23.713 120.490 -0.713 1.00 0.00 H ATOM 168 N GLN A 14 -19.976 119.437 -1.806 1.00 18.64 N ATOM 169 CA GLN A 14 -19.415 118.204 -2.355 1.00 20.83 C ATOM 170 C GLN A 14 -17.976 118.060 -1.885 1.00 19.60 C ATOM 171 O GLN A 14 -17.299 119.061 -1.657 1.00 19.10 O ATOM 172 CB GLN A 14 -19.431 118.202 -3.883 1.00 25.25 C ATOM 173 CG GLN A 14 -20.801 118.091 -4.508 1.00 40.24 C ATOM 174 CD GLN A 14 -20.723 117.571 -5.930 1.00 61.58 C ATOM 175 OE1 GLN A 14 -21.215 118.203 -6.863 1.00 72.16 O ATOM 176 NE2 GLN A 14 -20.083 116.419 -6.102 1.00 64.52 N ATOM 177 HE22 GLN A 14 -19.683 115.919 -5.283 1.00 0.00 H ATOM 178 HE21 GLN A 14 -19.982 116.017 -7.056 1.00 0.00 H ATOM 179 H GLN A 14 -19.393 120.298 -1.820 1.00 0.00 H ATOM 180 N GLN A 15 -17.503 116.814 -1.761 1.00 20.37 N ATOM 181 CA GLN A 15 -16.134 116.604 -1.297 1.00 21.03 C ATOM 182 C GLN A 15 -15.651 115.214 -1.695 1.00 21.66 C ATOM 183 O GLN A 15 -16.431 114.257 -1.725 1.00 22.64 O ATOM 184 CB GLN A 15 -16.023 116.780 0.227 1.00 22.35 C ATOM 185 CG GLN A 15 -16.913 115.815 1.033 1.00 23.11 C ATOM 186 CD GLN A 15 -16.239 114.474 1.307 1.00 29.55 C ATOM 187 OE1 GLN A 15 -15.038 114.306 1.078 1.00 26.54 O ATOM 188 NE2 GLN A 15 -17.016 113.514 1.796 1.00 32.05 N ATOM 189 HE22 GLN A 15 -18.024 113.700 1.974 1.00 0.00 H ATOM 190 HE21 GLN A 15 -16.617 112.576 2.001 1.00 0.00 H ATOM 191 H GLN A 15 -18.107 116.000 -1.994 1.00 0.00 H ATOM 192 N HIS A 16 -14.345 115.108 -1.954 1.00 22.70 N ATOM 193 CA HIS A 16 -13.735 113.809 -2.230 1.00 23.07 C ATOM 194 C HIS A 16 -12.257 113.851 -1.870 1.00 23.06 C ATOM 195 O HIS A 16 -11.624 114.903 -1.913 1.00 22.87 O ATOM 196 CB HIS A 16 -13.917 113.395 -3.699 1.00 28.24 C ATOM 197 CG HIS A 16 -13.246 114.311 -4.676 1.00 37.19 C ATOM 198 ND1 HIS A 16 -11.987 114.067 -5.183 1.00 52.47 N ATOM 199 CD2 HIS A 16 -13.661 115.468 -5.243 1.00 42.96 C ATOM 200 CE1 HIS A 16 -11.655 115.037 -6.017 1.00 45.22 C ATOM 201 NE2 HIS A 16 -12.654 115.899 -6.072 1.00 50.47 N ATOM 202 H HIS A 16 -13.753 115.963 -1.959 1.00 0.00 H ATOM 203 N ILE A 17 -11.702 112.690 -1.525 1.00 24.08 N ATOM 204 CA ILE A 17 -10.289 112.622 -1.162 1.00 25.45 C ATOM 205 C ILE A 17 -9.408 112.877 -2.382 1.00 24.61 C ATOM 206 O ILE A 17 -9.696 112.403 -3.488 1.00 27.57 O ATOM 207 CB ILE A 17 -9.973 111.253 -0.540 1.00 25.51 C ATOM 208 CG1 ILE A 17 -10.660 111.128 0.820 1.00 25.48 C ATOM 209 CG2 ILE A 17 -8.462 111.062 -0.401 1.00 27.90 C ATOM 210 CD1 ILE A 17 -10.440 109.775 1.499 1.00 26.91 C ATOM 211 H ILE A 17 -12.280 111.825 -1.514 1.00 0.00 H ATOM 212 N LEU A 18 -8.314 113.632 -2.181 1.00 25.28 N ATOM 213 CA LEU A 18 -7.254 113.779 -3.171 1.00 28.75 C ATOM 214 C LEU A 18 -6.103 112.828 -2.826 1.00 33.65 C ATOM 215 O LEU A 18 -5.249 113.169 -1.996 1.00 32.55 O ATOM 216 CB LEU A 18 -6.759 115.230 -3.228 1.00 25.68 C ATOM 217 CG LEU A 18 -7.770 116.299 -3.633 1.00 24.98 C ATOM 218 CD1 LEU A 18 -7.132 117.657 -3.511 1.00 32.18 C ATOM 219 CD2 LEU A 18 -8.249 116.053 -5.058 1.00 30.41 C ATOM 220 H LEU A 18 -8.219 114.135 -1.276 1.00 0.00 H ATOM 221 N PRO A 19 -6.022 111.644 -3.434 1.00 27.25 N ATOM 222 CA PRO A 19 -4.951 110.707 -3.050 1.00 28.32 C ATOM 223 C PRO A 19 -3.553 111.250 -3.280 1.00 30.21 C ATOM 224 O PRO A 19 -2.612 110.826 -2.598 1.00 29.40 O ATOM 225 CB PRO A 19 -5.228 109.479 -3.929 1.00 29.61 C ATOM 226 CG PRO A 19 -6.673 109.612 -4.337 1.00 34.94 C ATOM 227 CD PRO A 19 -6.923 111.079 -4.452 1.00 31.68 C ATOM 228 N GLU A 20 -3.381 112.182 -4.215 1.00 31.34 N ATOM 229 CA GLU A 20 -2.027 112.618 -4.535 1.00 36.45 C ATOM 230 C GLU A 20 -1.470 113.592 -3.506 1.00 33.96 C ATOM 231 O GLU A 20 -0.281 113.922 -3.571 1.00 34.27 O ATOM 232 CB GLU A 20 -1.994 113.254 -5.927 1.00 35.78 C ATOM 233 CG GLU A 20 -2.694 114.599 -6.014 1.00 35.48 C ATOM 234 CD GLU A 20 -4.192 114.475 -6.288 1.00 37.91 C ATOM 235 OE1 GLU A 20 -4.765 113.380 -6.072 1.00 40.10 O ATOM 236 OE2 GLU A 20 -4.792 115.482 -6.725 1.00 39.52 O ATOM 237 H GLU A 20 -4.199 112.592 -4.709 1.00 0.00 H ATOM 238 N VAL A 21 -2.289 114.054 -2.572 1.00 31.71 N ATOM 239 CA VAL A 21 -1.858 114.968 -1.519 1.00 31.87 C ATOM 240 C VAL A 21 -1.527 114.143 -0.283 1.00 29.78 C ATOM 241 O VAL A 21 -2.372 113.351 0.158 1.00 36.54 O ATOM 242 CB VAL A 21 -2.934 116.013 -1.187 1.00 28.75 C ATOM 243 CG1 VAL A 21 -2.412 116.929 -0.093 1.00 34.28 C ATOM 244 CG2 VAL A 21 -3.351 116.798 -2.435 1.00 28.78 C ATOM 245 H VAL A 21 -3.284 113.752 -2.590 1.00 0.00 H ATOM 246 N PRO A 22 -0.340 114.285 0.293 1.00 32.59 N ATOM 247 CA PRO A 22 0.011 113.492 1.458 1.00 31.11 C ATOM 248 C PRO A 22 -0.958 113.730 2.601 1.00 28.74 C ATOM 249 O PRO A 22 -1.243 114.881 2.962 1.00 28.16 O ATOM 250 CB PRO A 22 1.421 113.991 1.810 1.00 45.67 C ATOM 251 CG PRO A 22 1.965 114.450 0.510 1.00 38.14 C ATOM 252 CD PRO A 22 0.801 115.078 -0.190 1.00 33.81 C ATOM 253 N PRO A 23 -1.475 112.661 3.203 1.00 32.38 N ATOM 254 CA PRO A 23 -2.311 112.822 4.394 1.00 32.11 C ATOM 255 C PRO A 23 -1.579 113.634 5.453 1.00 29.40 C ATOM 256 O PRO A 23 -0.355 113.573 5.574 1.00 38.71 O ATOM 257 CB PRO A 23 -2.551 111.381 4.862 1.00 29.54 C ATOM 258 CG PRO A 23 -2.333 110.541 3.662 1.00 36.65 C ATOM 259 CD PRO A 23 -1.279 111.247 2.847 1.00 35.60 C ATOM 260 N VAL A 24 -2.348 114.406 6.206 1.00 29.61 N ATOM 261 CA VAL A 24 -1.831 115.227 7.293 1.00 39.60 C ATOM 262 C VAL A 24 -2.126 114.484 8.587 1.00 33.84 C ATOM 263 O VAL A 24 -3.290 114.350 8.979 1.00 35.34 O ATOM 264 CB VAL A 24 -2.458 116.626 7.290 1.00 40.95 C ATOM 265 CG1 VAL A 24 -1.932 117.450 8.452 1.00 45.60 C ATOM 266 CG2 VAL A 24 -2.187 117.322 5.966 1.00 43.56 C ATOM 267 H VAL A 24 -3.370 114.427 6.012 1.00 0.00 H ATOM 268 N GLU A 25 -1.074 113.996 9.244 1.00 34.07 N ATOM 269 CA GLU A 25 -1.212 113.187 10.454 1.00 37.92 C ATOM 270 C GLU A 25 -2.144 112.003 10.202 1.00 42.37 C ATOM 271 O GLU A 25 -3.014 111.684 11.013 1.00 43.38 O ATOM 272 CB GLU A 25 -1.695 114.039 11.631 1.00 36.65 C ATOM 273 CG GLU A 25 -0.786 115.231 11.906 1.00 37.59 C ATOM 274 CD GLU A 25 -1.143 115.968 13.185 1.00 49.73 C ATOM 275 OE1 GLU A 25 -2.088 115.543 13.884 1.00 59.52 O ATOM 276 OE2 GLU A 25 -0.470 116.968 13.497 1.00 52.18 O ATOM 277 H GLU A 25 -0.120 114.198 8.883 1.00 0.00 H ATOM 278 N ASN A 26 -1.967 111.368 9.043 1.00 33.07 N ATOM 279 CA ASN A 26 -2.709 110.205 8.561 1.00 34.37 C ATOM 280 C ASN A 26 -4.137 110.536 8.155 1.00 36.56 C ATOM 281 O ASN A 26 -4.884 109.618 7.783 1.00 33.67 O ATOM 282 CB ASN A 26 -2.726 109.060 9.582 1.00 44.15 C ATOM 283 CG ASN A 26 -1.412 108.338 9.645 1.00 45.46 C ATOM 284 OD1 ASN A 26 -0.693 108.260 8.648 1.00 44.90 O ATOM 285 ND2 ASN A 26 -1.082 107.799 10.814 1.00 63.89 N ATOM 286 HD22 ASN A 26 -1.722 107.891 11.628 1.00 0.00 H ATOM 287 HD21 ASN A 26 -0.183 107.285 10.915 1.00 0.00 H ATOM 288 H ASN A 26 -1.224 111.739 8.417 1.00 0.00 H ATOM 289 N PHE A 27 -4.539 111.801 8.195 1.00 32.64 N ATOM 290 CA PHE A 27 -5.859 112.211 7.733 1.00 29.03 C ATOM 291 C PHE A 27 -5.782 112.631 6.271 1.00 30.76 C ATOM 292 O PHE A 27 -4.968 113.495 5.924 1.00 31.42 O ATOM 293 CB PHE A 27 -6.403 113.362 8.578 1.00 38.30 C ATOM 294 CG PHE A 27 -6.882 112.933 9.938 1.00 39.54 C ATOM 295 CD1 PHE A 27 -5.987 112.532 10.910 1.00 45.88 C ATOM 296 CD2 PHE A 27 -8.232 112.904 10.231 1.00 41.97 C ATOM 297 CE1 PHE A 27 -6.428 112.122 12.157 1.00 51.55 C ATOM 298 CE2 PHE A 27 -8.680 112.495 11.477 1.00 39.17 C ATOM 299 CZ PHE A 27 -7.779 112.110 12.439 1.00 47.43 C ATOM 300 H PHE A 27 -3.890 112.523 8.568 1.00 0.00 H ATOM 301 N PRO A 28 -6.604 112.063 5.396 1.00 33.54 N ATOM 302 CA PRO A 28 -6.515 112.413 3.976 1.00 26.29 C ATOM 303 C PRO A 28 -6.902 113.867 3.729 1.00 28.40 C ATOM 304 O PRO A 28 -7.707 114.458 4.456 1.00 26.76 O ATOM 305 CB PRO A 28 -7.511 111.456 3.314 1.00 28.99 C ATOM 306 CG PRO A 28 -8.537 111.187 4.410 1.00 28.37 C ATOM 307 CD PRO A 28 -7.727 111.148 5.685 1.00 27.65 C ATOM 308 N VAL A 29 -6.319 114.447 2.688 1.00 24.67 N ATOM 309 CA VAL A 29 -6.725 115.779 2.250 1.00 23.62 C ATOM 310 C VAL A 29 -7.809 115.610 1.198 1.00 25.38 C ATOM 311 O VAL A 29 -7.717 114.741 0.321 1.00 25.96 O ATOM 312 CB VAL A 29 -5.526 116.589 1.714 1.00 24.94 C ATOM 313 CG1 VAL A 29 -5.983 117.865 1.017 1.00 23.63 C ATOM 314 CG2 VAL A 29 -4.539 116.901 2.839 1.00 26.43 C ATOM 315 H VAL A 29 -5.563 113.947 2.178 1.00 0.00 H ATOM 316 N ARG A 30 -8.856 116.421 1.308 1.00 22.04 N ATOM 317 CA ARG A 30 -10.032 116.345 0.458 1.00 25.26 C ATOM 318 C ARG A 30 -10.194 117.645 -0.313 1.00 21.69 C ATOM 319 O ARG A 30 -9.876 118.724 0.191 1.00 25.96 O ATOM 320 CB ARG A 30 -11.302 116.076 1.288 1.00 21.37 C ATOM 321 CG ARG A 30 -11.281 114.737 2.001 1.00 24.43 C ATOM 322 CD ARG A 30 -12.363 114.656 3.067 1.00 25.13 C ATOM 323 NE ARG A 30 -12.242 113.422 3.829 1.00 23.91 N ATOM 324 CZ ARG A 30 -12.798 112.266 3.490 1.00 24.79 C ATOM 325 NH1 ARG A 30 -13.565 112.179 2.407 1.00 28.00 N ATOM 326 NH2 ARG A 30 -12.596 111.200 4.250 1.00 26.15 N ATOM 327 HE ARG A 30 -11.679 113.448 4.703 1.00 0.00 H ATOM 328 HH12 ARG A 30 -13.997 111.269 2.148 1.00 0.00 H ATOM 329 HH11 ARG A 30 -13.732 113.021 1.819 1.00 0.00 H ATOM 330 HH22 ARG A 30 -13.027 110.289 3.993 1.00 0.00 H ATOM 331 HH21 ARG A 30 -12.006 111.274 5.103 1.00 0.00 H ATOM 332 H ARG A 30 -8.832 117.153 2.046 1.00 0.00 H ATOM 333 N GLN A 31 -10.639 117.522 -1.555 1.00 20.92 N ATOM 334 CA GLN A 31 -11.148 118.659 -2.302 1.00 21.21 C ATOM 335 C GLN A 31 -12.610 118.830 -1.928 1.00 19.44 C ATOM 336 O GLN A 31 -13.361 117.853 -1.889 1.00 21.80 O ATOM 337 CB GLN A 31 -11.002 118.417 -3.801 1.00 26.79 C ATOM 338 CG GLN A 31 -11.810 119.381 -4.659 1.00 39.43 C ATOM 339 CD GLN A 31 -10.959 120.482 -5.241 1.00 56.97 C ATOM 340 OE1 GLN A 31 -9.731 120.418 -5.198 1.00 58.32 O ATOM 341 NE2 GLN A 31 -11.607 121.504 -5.792 1.00 69.11 N ATOM 342 HE22 GLN A 31 -12.647 121.514 -5.805 1.00 0.00 H ATOM 343 HE21 GLN A 31 -11.074 122.293 -6.210 1.00 0.00 H ATOM 344 H GLN A 31 -10.623 116.586 -2.007 1.00 0.00 H ATOM 345 N TRP A 32 -13.022 120.058 -1.629 1.00 21.21 N ATOM 346 CA TRP A 32 -14.428 120.272 -1.344 1.00 18.53 C ATOM 347 C TRP A 32 -14.889 121.546 -2.026 1.00 19.21 C ATOM 348 O TRP A 32 -14.097 122.427 -2.350 1.00 21.18 O ATOM 349 CB TRP A 32 -14.726 120.326 0.161 1.00 17.86 C ATOM 350 CG TRP A 32 -13.889 121.231 1.010 1.00 18.01 C ATOM 351 CD1 TRP A 32 -12.838 120.868 1.807 1.00 21.70 C ATOM 352 CD2 TRP A 32 -14.070 122.635 1.199 1.00 19.15 C ATOM 353 NE1 TRP A 32 -12.345 121.964 2.467 1.00 21.90 N ATOM 354 CE2 TRP A 32 -13.085 123.062 2.117 1.00 19.98 C ATOM 355 CE3 TRP A 32 -14.971 123.575 0.682 1.00 18.00 C ATOM 356 CZ2 TRP A 32 -12.964 124.390 2.524 1.00 22.06 C ATOM 357 CZ3 TRP A 32 -14.856 124.906 1.096 1.00 18.56 C ATOM 358 CH2 TRP A 32 -13.856 125.297 2.009 1.00 22.70 C ATOM 359 HE1 TRP A 32 -11.540 121.962 3.126 1.00 0.00 H ATOM 360 H TRP A 32 -12.349 120.850 -1.600 1.00 0.00 H ATOM 361 N SER A 33 -16.192 121.620 -2.238 1.00 19.01 N ATOM 362 CA SER A 33 -16.822 122.718 -2.965 1.00 16.65 C ATOM 363 C SER A 33 -18.125 123.070 -2.275 1.00 20.33 C ATOM 364 O SER A 33 -18.801 122.186 -1.732 1.00 18.23 O ATOM 365 CB SER A 33 -17.064 122.309 -4.435 1.00 29.77 C ATOM 366 OG SER A 33 -18.132 121.372 -4.565 1.00 29.45 O ATOM 367 HG SER A 33 -18.967 121.774 -4.216 1.00 0.00 H ATOM 368 H SER A 33 -16.797 120.859 -1.869 1.00 0.00 H ATOM 369 N ILE A 34 -18.450 124.366 -2.269 1.00 16.69 N ATOM 370 CA ILE A 34 -19.738 124.838 -1.783 1.00 17.49 C ATOM 371 C ILE A 34 -20.322 125.769 -2.835 1.00 19.87 C ATOM 372 O ILE A 34 -19.600 126.584 -3.416 1.00 17.50 O ATOM 373 CB ILE A 34 -19.631 125.560 -0.426 1.00 17.75 C ATOM 374 CG1 ILE A 34 -18.952 124.690 0.624 1.00 18.63 C ATOM 375 CG2 ILE A 34 -21.031 125.953 0.064 1.00 17.24 C ATOM 376 CD1 ILE A 34 -18.555 125.469 1.872 1.00 19.74 C ATOM 377 H ILE A 34 -17.761 125.060 -2.623 1.00 0.00 H ATOM 378 N GLU A 35 -21.613 125.601 -3.115 1.00 17.81 N ATOM 379 CA GLU A 35 -22.371 126.447 -4.031 1.00 20.24 C ATOM 380 C GLU A 35 -23.682 126.839 -3.357 1.00 16.93 C ATOM 381 O GLU A 35 -24.160 126.165 -2.446 1.00 17.78 O ATOM 382 CB GLU A 35 -22.675 125.721 -5.368 1.00 20.72 C ATOM 383 CG GLU A 35 -21.469 125.296 -6.179 1.00 32.09 C ATOM 384 CD GLU A 35 -21.858 124.628 -7.480 1.00 32.40 C ATOM 385 OE1 GLU A 35 -22.994 124.115 -7.569 1.00 33.25 O ATOM 386 OE2 GLU A 35 -21.030 124.613 -8.416 1.00 45.70 O ATOM 387 H GLU A 35 -22.113 124.816 -2.651 1.00 0.00 H ATOM 388 N ILE A 36 -24.292 127.928 -3.821 1.00 17.32 N ATOM 389 CA ILE A 36 -25.518 128.427 -3.214 1.00 16.85 C ATOM 390 C ILE A 36 -26.551 128.664 -4.307 1.00 18.65 C ATOM 391 O ILE A 36 -26.262 129.345 -5.295 1.00 16.40 O ATOM 392 CB ILE A 36 -25.249 129.724 -2.434 1.00 15.91 C ATOM 393 CG1 ILE A 36 -24.317 129.428 -1.257 1.00 18.29 C ATOM 394 CG2 ILE A 36 -26.536 130.301 -1.919 1.00 21.56 C ATOM 395 CD1 ILE A 36 -23.848 130.702 -0.574 1.00 21.89 C ATOM 396 H ILE A 36 -23.884 128.433 -4.634 1.00 0.00 H ATOM 397 N VAL A 37 -27.750 128.097 -4.132 1.00 18.31 N ATOM 398 CA VAL A 37 -28.852 128.365 -5.045 1.00 17.67 C ATOM 399 C VAL A 37 -30.060 128.833 -4.250 1.00 19.56 C ATOM 400 O VAL A 37 -30.127 128.701 -3.027 1.00 18.09 O ATOM 401 CB VAL A 37 -29.217 127.135 -5.904 1.00 20.28 C ATOM 402 CG1 VAL A 37 -28.035 126.728 -6.779 1.00 22.75 C ATOM 403 CG2 VAL A 37 -29.670 125.966 -5.019 1.00 22.72 C ATOM 404 H VAL A 37 -27.898 127.453 -3.329 1.00 0.00 H ATOM 405 N LEU A 38 -31.015 129.404 -4.971 1.00 19.63 N ATOM 406 CA LEU A 38 -32.278 129.840 -4.406 1.00 18.12 C ATOM 407 C LEU A 38 -33.353 128.841 -4.809 1.00 23.12 C ATOM 408 O LEU A 38 -33.295 128.256 -5.890 1.00 28.33 O ATOM 409 CB LEU A 38 -32.606 131.237 -4.922 1.00 23.25 C ATOM 410 CG LEU A 38 -33.878 131.988 -4.602 1.00 29.46 C ATOM 411 CD1 LEU A 38 -34.036 132.161 -3.108 1.00 25.45 C ATOM 412 CD2 LEU A 38 -33.745 133.320 -5.289 1.00 19.66 C ATOM 413 H LEU A 38 -30.851 129.546 -5.988 1.00 0.00 H ATOM 414 N LEU A 39 -34.313 128.618 -3.918 1.00 21.67 N ATOM 415 CA LEU A 39 -35.470 127.792 -4.238 1.00 24.31 C ATOM 416 C LEU A 39 -36.659 128.688 -4.530 1.00 25.27 C ATOM 417 O LEU A 39 -36.843 129.725 -3.883 1.00 24.22 O ATOM 418 CB LEU A 39 -35.818 126.832 -3.099 1.00 26.04 C ATOM 419 CG LEU A 39 -34.720 125.896 -2.607 1.00 26.73 C ATOM 420 CD1 LEU A 39 -35.288 124.890 -1.632 1.00 30.08 C ATOM 421 CD2 LEU A 39 -34.053 125.196 -3.781 1.00 26.99 C ATOM 422 H LEU A 39 -34.237 129.042 -2.971 1.00 0.00 H ATOM 423 N ASP A 40 -37.461 128.299 -5.515 1.00 28.94 N ATOM 424 CA ASP A 40 -38.670 129.058 -5.781 1.00 27.99 C ATOM 425 C ASP A 40 -39.812 128.498 -4.931 1.00 34.78 C ATOM 426 O ASP A 40 -39.616 127.624 -4.082 1.00 30.64 O ATOM 427 CB ASP A 40 -38.974 129.094 -7.279 1.00 27.63 C ATOM 428 CG ASP A 40 -39.296 127.730 -7.872 1.00 35.88 C ATOM 429 OD1 ASP A 40 -39.519 126.750 -7.131 1.00 37.67 O ATOM 430 OD2 ASP A 40 -39.348 127.660 -9.113 1.00 36.84 O ATOM 431 H ASP A 40 -37.226 127.463 -6.087 1.00 0.00 H ATOM 432 N ASP A 41 -41.026 129.010 -5.144 1.00 31.28 N ATOM 433 CA ASP A 41 -42.167 128.580 -4.343 1.00 37.86 C ATOM 434 C ASP A 41 -42.606 127.157 -4.658 1.00 42.10 C ATOM 435 O ASP A 41 -43.445 126.611 -3.934 1.00 46.04 O ATOM 436 CB ASP A 41 -43.344 129.541 -4.532 1.00 42.92 C ATOM 437 CG ASP A 41 -43.517 129.983 -5.974 1.00 46.22 C ATOM 438 OD1 ASP A 41 -42.802 129.459 -6.854 1.00 42.19 O ATOM 439 OD2 ASP A 41 -44.372 130.861 -6.226 1.00 42.77 O ATOM 440 H ASP A 41 -41.160 129.723 -5.889 1.00 0.00 H ATOM 441 N GLU A 42 -42.069 126.552 -5.716 1.00 37.91 N ATOM 442 CA GLU A 42 -42.301 125.149 -6.030 1.00 45.58 C ATOM 443 C GLU A 42 -41.183 124.242 -5.534 1.00 39.98 C ATOM 444 O GLU A 42 -41.308 123.017 -5.635 1.00 38.87 O ATOM 445 CB GLU A 42 -42.442 124.960 -7.544 1.00 49.02 C ATOM 446 CG GLU A 42 -43.779 125.354 -8.133 1.00 64.37 C ATOM 447 CD GLU A 42 -43.951 124.814 -9.540 1.00 79.52 C ATOM 448 OE1 GLU A 42 -44.453 123.679 -9.686 1.00 85.17 O ATOM 449 OE2 GLU A 42 -43.570 125.517 -10.500 1.00 81.91 O ATOM 450 H GLU A 42 -41.456 127.107 -6.347 1.00 0.00 H ATOM 451 N GLY A 43 -40.086 124.808 -5.035 1.00 36.00 N ATOM 452 CA GLY A 43 -38.943 124.025 -4.620 1.00 38.54 C ATOM 453 C GLY A 43 -37.909 123.772 -5.693 1.00 35.26 C ATOM 454 O GLY A 43 -36.984 122.988 -5.461 1.00 35.53 O ATOM 455 H GLY A 43 -40.050 125.843 -4.941 1.00 0.00 H ATOM 456 N LYS A 44 -38.041 124.394 -6.862 1.00 35.10 N ATOM 457 CA LYS A 44 -37.050 124.252 -7.920 1.00 34.26 C ATOM 458 C LYS A 44 -35.865 125.174 -7.660 1.00 32.76 C ATOM 459 O LYS A 44 -36.035 126.299 -7.182 1.00 31.66 O ATOM 460 CB LYS A 44 -37.675 124.580 -9.277 1.00 48.25 C ATOM 461 CG LYS A 44 -36.703 124.548 -10.447 1.00 61.74 C ATOM 462 CD LYS A 44 -37.196 125.402 -11.607 1.00 71.47 C ATOM 463 CE LYS A 44 -36.419 125.102 -12.884 1.00 77.37 C ATOM 464 NZ LYS A 44 -36.362 126.278 -13.799 1.00 78.70 N ATOM 465 HZ1 LYS A 44 -37.328 126.555 -14.066 1.00 0.00 H ATOM 466 HZ2 LYS A 44 -35.894 127.070 -13.314 1.00 0.00 H ATOM 467 HZ3 LYS A 44 -35.824 126.026 -14.653 1.00 0.00 H ATOM 468 H LYS A 44 -38.873 124.997 -7.024 1.00 0.00 H ATOM 469 N GLU A 45 -34.661 124.695 -7.985 1.00 30.98 N ATOM 470 CA GLU A 45 -33.459 125.507 -7.818 1.00 29.29 C ATOM 471 C GLU A 45 -33.362 126.532 -8.940 1.00 30.70 C ATOM 472 O GLU A 45 -33.523 126.193 -10.117 1.00 34.95 O ATOM 473 CB GLU A 45 -32.199 124.630 -7.821 1.00 27.26 C ATOM 474 CG GLU A 45 -32.106 123.639 -6.678 1.00 30.08 C ATOM 475 CD GLU A 45 -30.787 122.885 -6.663 1.00 31.21 C ATOM 476 OE1 GLU A 45 -29.949 123.116 -7.565 1.00 30.10 O ATOM 477 OE2 GLU A 45 -30.582 122.065 -5.744 1.00 27.98 O ATOM 478 H GLU A 45 -34.579 123.729 -8.363 1.00 0.00 H ATOM 479 N ILE A 46 -33.091 127.781 -8.578 1.00 24.51 N ATOM 480 CA ILE A 46 -32.857 128.836 -9.563 1.00 28.25 C ATOM 481 C ILE A 46 -31.663 129.655 -9.105 1.00 24.73 C ATOM 482 O ILE A 46 -31.269 129.597 -7.932 1.00 23.74 O ATOM 483 CB ILE A 46 -34.094 129.742 -9.757 1.00 31.62 C ATOM 484 CG1 ILE A 46 -34.436 130.508 -8.483 1.00 29.50 C ATOM 485 CG2 ILE A 46 -35.297 128.941 -10.240 1.00 34.49 C ATOM 486 CD1 ILE A 46 -35.478 131.583 -8.728 1.00 29.75 C ATOM 487 H ILE A 46 -33.044 128.015 -7.566 1.00 0.00 H ATOM 488 N PRO A 47 -31.036 130.396 -10.014 1.00 26.19 N ATOM 489 CA PRO A 47 -29.849 131.162 -9.617 1.00 22.85 C ATOM 490 C PRO A 47 -30.177 132.178 -8.530 1.00 22.09 C ATOM 491 O PRO A 47 -31.223 132.833 -8.555 1.00 25.77 O ATOM 492 CB PRO A 47 -29.411 131.836 -10.921 1.00 27.07 C ATOM 493 CG PRO A 47 -29.933 130.916 -11.995 1.00 31.79 C ATOM 494 CD PRO A 47 -31.271 130.482 -11.467 1.00 26.76 C ATOM 495 N ALA A 48 -29.269 132.296 -7.558 1.00 19.83 N ATOM 496 CA ALA A 48 -29.481 133.176 -6.407 1.00 20.16 C ATOM 497 C ALA A 48 -29.067 134.611 -6.743 1.00 21.60 C ATOM 498 O ALA A 48 -28.167 135.188 -6.139 1.00 18.64 O ATOM 499 CB ALA A 48 -28.716 132.653 -5.197 1.00 19.08 C ATOM 500 H ALA A 48 -28.387 131.748 -7.620 1.00 0.00 H ATOM 501 N THR A 49 -29.767 135.190 -7.721 1.00 20.45 N ATOM 502 CA THR A 49 -29.459 136.528 -8.207 1.00 19.46 C ATOM 503 C THR A 49 -29.880 137.625 -7.237 1.00 18.65 C ATOM 504 O THR A 49 -29.628 138.801 -7.524 1.00 19.04 O ATOM 505 CB THR A 49 -30.141 136.755 -9.558 1.00 24.92 C ATOM 506 OG1 THR A 49 -31.561 136.722 -9.375 1.00 31.04 O ATOM 507 CG2 THR A 49 -29.714 135.680 -10.564 1.00 34.64 C ATOM 508 HG1 THR A 49 -31.825 135.840 -9.011 1.00 0.00 H ATOM 509 H THR A 49 -30.558 134.669 -8.150 1.00 0.00 H ATOM 510 N ILE A 50 -30.500 137.276 -6.111 1.00 19.13 N ATOM 511 CA ILE A 50 -30.818 138.266 -5.083 1.00 17.32 C ATOM 512 C ILE A 50 -29.600 138.682 -4.278 1.00 12.97 C ATOM 513 O ILE A 50 -29.703 139.580 -3.437 1.00 15.36 O ATOM 514 CB ILE A 50 -31.884 137.719 -4.121 1.00 18.55 C ATOM 515 CG1 ILE A 50 -31.433 136.360 -3.572 1.00 14.01 C ATOM 516 CG2 ILE A 50 -33.233 137.566 -4.844 1.00 19.67 C ATOM 517 CD1 ILE A 50 -32.205 135.916 -2.339 1.00 17.67 C ATOM 518 H ILE A 50 -30.763 136.281 -5.960 1.00 0.00 H ATOM 519 N PHE A 51 -28.459 138.023 -4.476 1.00 15.97 N ATOM 520 CA PHE A 51 -27.216 138.391 -3.812 1.00 15.14 C ATOM 521 C PHE A 51 -26.287 138.996 -4.845 1.00 16.32 C ATOM 522 O PHE A 51 -26.086 138.420 -5.918 1.00 18.78 O ATOM 523 CB PHE A 51 -26.513 137.174 -3.196 1.00 15.52 C ATOM 524 CG PHE A 51 -27.383 136.362 -2.296 1.00 14.07 C ATOM 525 CD1 PHE A 51 -28.134 136.977 -1.308 1.00 15.60 C ATOM 526 CD2 PHE A 51 -27.411 134.980 -2.404 1.00 18.90 C ATOM 527 CE1 PHE A 51 -28.940 136.235 -0.452 1.00 17.56 C ATOM 528 CE2 PHE A 51 -28.212 134.226 -1.553 1.00 19.26 C ATOM 529 CZ PHE A 51 -28.974 134.850 -0.577 1.00 18.42 C ATOM 530 H PHE A 51 -28.456 137.214 -5.130 1.00 0.00 H ATOM 531 N ASP A 52 -25.688 140.129 -4.535 1.00 17.68 N ATOM 532 CA ASP A 52 -24.637 140.521 -5.460 1.00 22.98 C ATOM 533 C ASP A 52 -23.258 140.083 -4.992 1.00 21.45 C ATOM 534 O ASP A 52 -22.299 140.233 -5.747 1.00 25.88 O ATOM 535 CB ASP A 52 -24.668 142.027 -5.765 1.00 40.41 C ATOM 536 CG ASP A 52 -24.585 142.882 -4.545 1.00 42.34 C ATOM 537 OD1 ASP A 52 -24.266 142.360 -3.466 1.00 29.56 O ATOM 538 OD2 ASP A 52 -24.835 144.102 -4.678 1.00 37.60 O ATOM 539 H ASP A 52 -25.945 140.694 -3.700 1.00 0.00 H ATOM 540 N LYS A 53 -23.145 139.508 -3.795 1.00 16.43 N ATOM 541 CA LYS A 53 -21.851 139.029 -3.299 1.00 18.81 C ATOM 542 C LYS A 53 -22.070 137.964 -2.234 1.00 17.41 C ATOM 543 O LYS A 53 -23.004 138.059 -1.440 1.00 15.72 O ATOM 544 CB LYS A 53 -21.030 140.186 -2.707 1.00 21.78 C ATOM 545 CG LYS A 53 -19.624 139.844 -2.278 1.00 33.79 C ATOM 546 CD LYS A 53 -19.029 141.023 -1.510 1.00 37.17 C ATOM 547 CE LYS A 53 -18.598 142.133 -2.452 1.00 46.98 C ATOM 548 NZ LYS A 53 -17.743 143.153 -1.771 1.00 50.15 N ATOM 549 HZ1 LYS A 53 -18.275 143.582 -0.988 1.00 0.00 H ATOM 550 HZ2 LYS A 53 -16.887 142.694 -1.399 1.00 0.00 H ATOM 551 HZ3 LYS A 53 -17.474 143.890 -2.454 1.00 0.00 H ATOM 552 H LYS A 53 -23.991 139.397 -3.201 1.00 0.00 H ATOM 553 N VAL A 54 -21.186 136.964 -2.206 1.00 16.39 N ATOM 554 CA VAL A 54 -21.142 135.972 -1.139 1.00 16.27 C ATOM 555 C VAL A 54 -19.708 135.918 -0.643 1.00 15.50 C ATOM 556 O VAL A 54 -18.780 135.869 -1.454 1.00 19.71 O ATOM 557 CB VAL A 54 -21.597 134.582 -1.627 1.00 17.65 C ATOM 558 CG1 VAL A 54 -21.365 133.527 -0.558 1.00 18.58 C ATOM 559 CG2 VAL A 54 -23.079 134.639 -2.024 1.00 14.99 C ATOM 560 H VAL A 54 -20.497 136.889 -2.981 1.00 0.00 H ATOM 561 N ILE A 55 -19.518 135.960 0.670 1.00 16.08 N ATOM 562 CA ILE A 55 -18.177 135.794 1.242 1.00 16.74 C ATOM 563 C ILE A 55 -18.180 134.573 2.144 1.00 17.00 C ATOM 564 O ILE A 55 -18.922 134.523 3.127 1.00 17.35 O ATOM 565 CB ILE A 55 -17.710 137.043 2.008 1.00 17.05 C ATOM 566 CG1 ILE A 55 -17.857 138.290 1.146 1.00 18.97 C ATOM 567 CG2 ILE A 55 -16.223 136.874 2.442 1.00 24.27 C ATOM 568 CD1 ILE A 55 -17.509 139.607 1.894 1.00 20.45 C ATOM 569 H ILE A 55 -20.330 136.113 1.302 1.00 0.00 H ATOM 570 N TYR A 56 -17.341 133.586 1.817 1.00 16.21 N ATOM 571 CA TYR A 56 -17.143 132.439 2.688 1.00 18.74 C ATOM 572 C TYR A 56 -16.066 132.780 3.710 1.00 21.46 C ATOM 573 O TYR A 56 -14.970 133.221 3.345 1.00 27.39 O ATOM 574 CB TYR A 56 -16.732 131.203 1.885 1.00 17.90 C ATOM 575 CG TYR A 56 -17.780 130.742 0.906 1.00 16.69 C ATOM 576 CD1 TYR A 56 -17.801 131.228 -0.401 1.00 20.32 C ATOM 577 CD2 TYR A 56 -18.763 129.839 1.289 1.00 17.07 C ATOM 578 CE1 TYR A 56 -18.771 130.804 -1.304 1.00 18.35 C ATOM 579 CE2 TYR A 56 -19.722 129.416 0.405 1.00 17.24 C ATOM 580 CZ TYR A 56 -19.731 129.899 -0.879 1.00 18.90 C ATOM 581 OH TYR A 56 -20.699 129.467 -1.760 1.00 17.56 O ATOM 582 HH TYR A 56 -20.566 129.907 -2.637 1.00 0.00 H ATOM 583 H TYR A 56 -16.818 133.639 0.920 1.00 0.00 H ATOM 584 N HIS A 57 -16.399 132.628 4.985 1.00 20.34 N ATOM 585 CA HIS A 57 -15.478 132.968 6.064 1.00 18.83 C ATOM 586 C HIS A 57 -14.909 131.653 6.579 1.00 21.91 C ATOM 587 O HIS A 57 -15.490 130.996 7.446 1.00 23.22 O ATOM 588 CB HIS A 57 -16.177 133.762 7.155 1.00 22.20 C ATOM 589 CG HIS A 57 -16.748 135.062 6.677 1.00 25.82 C ATOM 590 ND1 HIS A 57 -15.964 136.080 6.174 1.00 25.62 N ATOM 591 CD2 HIS A 57 -18.025 135.509 6.631 1.00 23.48 C ATOM 592 CE1 HIS A 57 -16.737 137.100 5.841 1.00 25.79 C ATOM 593 NE2 HIS A 57 -17.991 136.779 6.107 1.00 24.77 N ATOM 594 H HIS A 57 -17.341 132.257 5.222 1.00 0.00 H ATOM 595 N LEU A 58 -13.755 131.281 6.045 1.00 22.41 N ATOM 596 CA LEU A 58 -13.225 129.951 6.298 1.00 22.78 C ATOM 597 C LEU A 58 -12.520 129.890 7.648 1.00 29.55 C ATOM 598 O LEU A 58 -12.208 130.914 8.270 1.00 30.04 O ATOM 599 CB LEU A 58 -12.260 129.543 5.185 1.00 23.36 C ATOM 600 CG LEU A 58 -12.905 129.477 3.796 1.00 22.33 C ATOM 601 CD1 LEU A 58 -11.934 128.861 2.798 1.00 23.32 C ATOM 602 CD2 LEU A 58 -14.218 128.696 3.817 1.00 23.79 C ATOM 603 H LEU A 58 -13.226 131.943 5.442 1.00 0.00 H ATOM 604 N HIS A 59 -12.309 128.655 8.104 1.00 25.96 N ATOM 605 CA HIS A 59 -11.507 128.381 9.284 1.00 26.27 C ATOM 606 C HIS A 59 -10.165 129.103 9.172 1.00 34.03 C ATOM 607 O HIS A 59 -9.609 129.212 8.069 1.00 32.13 O ATOM 608 CB HIS A 59 -11.301 126.865 9.408 1.00 28.91 C ATOM 609 CG HIS A 59 -10.811 126.418 10.748 1.00 31.69 C ATOM 610 ND1 HIS A 59 -9.471 126.260 11.038 1.00 33.88 N ATOM 611 CD2 HIS A 59 -11.482 126.091 11.877 1.00 34.52 C ATOM 612 CE1 HIS A 59 -9.339 125.851 12.287 1.00 38.55 C ATOM 613 NE2 HIS A 59 -10.544 125.742 12.819 1.00 36.14 N ATOM 614 H HIS A 59 -12.736 127.855 7.594 1.00 0.00 H ATOM 615 N PRO A 60 -9.616 129.613 10.277 1.00 38.61 N ATOM 616 CA PRO A 60 -8.380 130.409 10.180 1.00 38.60 C ATOM 617 C PRO A 60 -7.153 129.621 9.738 1.00 42.22 C ATOM 618 O PRO A 60 -6.104 130.237 9.516 1.00 42.89 O ATOM 619 CB PRO A 60 -8.204 130.964 11.602 1.00 43.45 C ATOM 620 CG PRO A 60 -9.040 130.087 12.473 1.00 49.09 C ATOM 621 CD PRO A 60 -10.190 129.637 11.634 1.00 38.52 C ATOM 622 N THR A 61 -7.236 128.293 9.590 1.00 35.11 N ATOM 623 CA THR A 61 -6.096 127.551 9.065 1.00 32.39 C ATOM 624 C THR A 61 -5.917 127.732 7.563 1.00 36.38 C ATOM 625 O THR A 61 -4.867 127.362 7.035 1.00 37.67 O ATOM 626 CB THR A 61 -6.234 126.060 9.387 1.00 33.63 C ATOM 627 OG1 THR A 61 -7.561 125.621 9.071 1.00 32.62 O ATOM 628 CG2 THR A 61 -5.948 125.802 10.863 1.00 37.85 C ATOM 629 HG1 THR A 61 -8.214 126.136 9.608 1.00 0.00 H ATOM 630 H THR A 61 -8.110 127.793 9.849 1.00 0.00 H ATOM 631 N PHE A 62 -6.908 128.286 6.870 1.00 29.49 N ATOM 632 CA PHE A 62 -6.819 128.510 5.434 1.00 31.15 C ATOM 633 C PHE A 62 -6.102 129.818 5.114 1.00 32.49 C ATOM 634 O PHE A 62 -6.246 130.816 5.828 1.00 42.43 O ATOM 635 CB PHE A 62 -8.218 128.551 4.822 1.00 30.16 C ATOM 636 CG PHE A 62 -8.860 127.211 4.716 1.00 29.35 C ATOM 637 CD1 PHE A 62 -8.681 126.436 3.581 1.00 27.60 C ATOM 638 CD2 PHE A 62 -9.629 126.715 5.753 1.00 23.99 C ATOM 639 CE1 PHE A 62 -9.250 125.190 3.483 1.00 28.48 C ATOM 640 CE2 PHE A 62 -10.214 125.472 5.657 1.00 29.79 C ATOM 641 CZ PHE A 62 -10.020 124.705 4.522 1.00 28.70 C ATOM 642 H PHE A 62 -7.775 128.568 7.370 1.00 0.00 H ATOM 643 N ALA A 63 -5.351 129.814 4.015 1.00 34.90 N ATOM 644 CA ALA A 63 -4.800 131.056 3.488 1.00 41.29 C ATOM 645 C ALA A 63 -5.907 131.912 2.877 1.00 45.36 C ATOM 646 O ALA A 63 -6.791 131.403 2.185 1.00 45.75 O ATOM 647 CB ALA A 63 -3.729 130.758 2.440 1.00 46.85 C ATOM 648 H ALA A 63 -5.156 128.916 3.528 1.00 0.00 H ATOM 649 N ASN A 64 -5.840 133.219 3.118 1.00 54.33 N ATOM 650 CA ASN A 64 -6.862 134.161 2.676 1.00 57.93 C ATOM 651 C ASN A 64 -8.258 133.641 3.033 1.00 45.43 C ATOM 652 O ASN A 64 -9.074 133.386 2.143 1.00 53.52 O ATOM 653 CB ASN A 64 -6.758 134.425 1.180 1.00 70.85 C ATOM 654 CG ASN A 64 -5.326 134.565 0.706 1.00 85.88 C ATOM 655 OD1 ASN A 64 -4.690 135.600 0.910 1.00 88.33 O ATOM 656 ND2 ASN A 64 -4.812 133.522 0.061 1.00 90.41 N ATOM 657 HD22 ASN A 64 -5.387 132.668 -0.088 1.00 0.00 H ATOM 658 HD21 ASN A 64 -3.835 133.560 -0.294 1.00 0.00 H ATOM 659 H ASN A 64 -5.022 133.585 3.645 1.00 0.00 H ATOM 660 N PRO A 65 -8.553 133.456 4.323 1.00 32.52 N ATOM 661 CA PRO A 65 -9.744 132.674 4.703 1.00 29.53 C ATOM 662 C PRO A 65 -11.077 133.319 4.330 1.00 24.75 C ATOM 663 O PRO A 65 -12.115 132.671 4.495 1.00 27.90 O ATOM 664 CB PRO A 65 -9.606 132.543 6.225 1.00 35.82 C ATOM 665 CG PRO A 65 -8.753 133.703 6.628 1.00 42.19 C ATOM 666 CD PRO A 65 -7.803 133.941 5.493 1.00 37.46 C ATOM 667 N ASN A 66 -11.092 134.541 3.832 1.00 24.38 N ATOM 668 CA ASN A 66 -12.339 135.227 3.495 1.00 22.94 C ATOM 669 C ASN A 66 -12.396 135.367 1.983 1.00 29.53 C ATOM 670 O ASN A 66 -11.726 136.224 1.400 1.00 35.26 O ATOM 671 CB ASN A 66 -12.414 136.559 4.224 1.00 28.70 C ATOM 672 CG ASN A 66 -12.341 136.369 5.719 1.00 28.47 C ATOM 673 OD1 ASN A 66 -13.247 135.786 6.312 1.00 28.70 O ATOM 674 ND2 ASN A 66 -11.231 136.782 6.327 1.00 28.31 N ATOM 675 HD22 ASN A 66 -10.492 137.271 5.783 1.00 0.00 H ATOM 676 HD21 ASN A 66 -11.103 136.615 7.346 1.00 0.00 H ATOM 677 H ASN A 66 -10.189 135.032 3.674 1.00 0.00 H ATOM 678 N ARG A 67 -13.194 134.514 1.349 1.00 24.78 N ATOM 679 CA ARG A 67 -13.211 134.395 -0.103 1.00 24.36 C ATOM 680 C ARG A 67 -14.502 134.988 -0.646 1.00 25.88 C ATOM 681 O ARG A 67 -15.590 134.542 -0.271 1.00 23.63 O ATOM 682 CB ARG A 67 -13.090 132.933 -0.520 1.00 24.83 C ATOM 683 CG ARG A 67 -11.996 132.193 0.224 1.00 35.64 C ATOM 684 CD ARG A 67 -10.641 132.516 -0.365 1.00 39.95 C ATOM 685 NE ARG A 67 -9.582 131.823 0.363 1.00 38.48 N ATOM 686 CZ ARG A 67 -9.197 130.578 0.097 1.00 37.21 C ATOM 687 NH1 ARG A 67 -8.233 130.011 0.811 1.00 38.84 N ATOM 688 NH2 ARG A 67 -9.775 129.902 -0.888 1.00 32.22 N ATOM 689 HE ARG A 67 -9.102 132.331 1.133 1.00 0.00 H ATOM 690 HH12 ARG A 67 -7.934 129.037 0.601 1.00 0.00 H ATOM 691 HH11 ARG A 67 -7.776 130.540 1.581 1.00 0.00 H ATOM 692 HH22 ARG A 67 -9.475 128.928 -1.097 1.00 0.00 H ATOM 693 HH21 ARG A 67 -10.528 130.346 -1.451 1.00 0.00 H ATOM 694 H ARG A 67 -13.829 133.910 1.909 1.00 0.00 H ATOM 695 N THR A 68 -14.372 135.933 -1.570 1.00 22.99 N ATOM 696 CA THR A 68 -15.500 136.672 -2.129 1.00 21.60 C ATOM 697 C THR A 68 -15.836 136.149 -3.517 1.00 23.57 C ATOM 698 O THR A 68 -14.941 135.958 -4.347 1.00 31.18 O ATOM 699 CB THR A 68 -15.177 138.165 -2.226 1.00 23.44 C ATOM 700 OG1 THR A 68 -15.093 138.738 -0.916 1.00 28.47 O ATOM 701 CG2 THR A 68 -16.236 138.885 -3.028 1.00 23.30 C ATOM 702 HG1 THR A 68 -14.378 138.284 -0.403 1.00 0.00 H ATOM 703 H THR A 68 -13.417 136.158 -1.913 1.00 0.00 H ATOM 704 N PHE A 69 -17.125 135.948 -3.775 1.00 19.13 N ATOM 705 CA PHE A 69 -17.623 135.543 -5.076 1.00 20.35 C ATOM 706 C PHE A 69 -18.810 136.419 -5.433 1.00 20.02 C ATOM 707 O PHE A 69 -19.586 136.814 -4.559 1.00 19.94 O ATOM 708 CB PHE A 69 -18.010 134.068 -5.068 1.00 21.41 C ATOM 709 CG PHE A 69 -16.848 133.172 -4.777 1.00 19.58 C ATOM 710 CD1 PHE A 69 -16.045 132.719 -5.802 1.00 27.35 C ATOM 711 CD2 PHE A 69 -16.514 132.853 -3.470 1.00 17.59 C ATOM 712 CE1 PHE A 69 -14.952 131.916 -5.539 1.00 27.78 C ATOM 713 CE2 PHE A 69 -15.413 132.049 -3.199 1.00 19.42 C ATOM 714 CZ PHE A 69 -14.636 131.590 -4.237 1.00 25.99 C ATOM 715 H PHE A 69 -17.810 136.088 -3.006 1.00 0.00 H ATOM 716 N THR A 70 -18.938 136.750 -6.715 1.00 20.40 N ATOM 717 CA THR A 70 -19.947 137.717 -7.118 1.00 16.95 C ATOM 718 C THR A 70 -20.962 137.189 -8.108 1.00 19.50 C ATOM 719 O THR A 70 -21.899 137.919 -8.444 1.00 22.24 O ATOM 720 CB THR A 70 -19.289 138.957 -7.747 1.00 26.39 C ATOM 721 OG1 THR A 70 -18.496 138.545 -8.867 1.00 27.02 O ATOM 722 CG2 THR A 70 -18.415 139.669 -6.734 1.00 30.41 C ATOM 723 HG1 THR A 70 -18.069 139.338 -9.277 1.00 0.00 H ATOM 724 H THR A 70 -18.317 136.318 -7.429 1.00 0.00 H ATOM 725 N ASP A 71 -20.798 135.976 -8.610 1.00 23.39 N ATOM 726 CA ASP A 71 -21.687 135.486 -9.639 1.00 26.35 C ATOM 727 C ASP A 71 -22.273 134.150 -9.204 1.00 22.47 C ATOM 728 O ASP A 71 -21.520 133.250 -8.786 1.00 24.75 O ATOM 729 CB ASP A 71 -20.937 135.353 -10.968 1.00 32.19 C ATOM 730 CG ASP A 71 -20.534 136.706 -11.540 1.00 38.85 C ATOM 731 OD1 ASP A 71 -21.435 137.512 -11.854 1.00 48.53 O ATOM 732 OD2 ASP A 71 -19.321 136.966 -11.657 1.00 52.33 O ATOM 733 H ASP A 71 -20.026 135.372 -8.263 1.00 0.00 H ATOM 734 N PRO A 72 -23.592 133.987 -9.272 1.00 22.03 N ATOM 735 CA PRO A 72 -24.206 132.700 -8.947 1.00 22.11 C ATOM 736 C PRO A 72 -23.568 131.590 -9.759 1.00 23.05 C ATOM 737 O PRO A 72 -23.205 131.795 -10.927 1.00 22.34 O ATOM 738 CB PRO A 72 -25.677 132.900 -9.346 1.00 25.26 C ATOM 739 CG PRO A 72 -25.894 134.385 -9.238 1.00 30.50 C ATOM 740 CD PRO A 72 -24.594 135.023 -9.603 1.00 25.57 C ATOM 741 N PRO A 73 -23.418 130.390 -9.186 1.00 20.69 N ATOM 742 CA PRO A 73 -23.848 129.992 -7.843 1.00 21.87 C ATOM 743 C PRO A 73 -22.789 130.211 -6.764 1.00 20.73 C ATOM 744 O PRO A 73 -22.790 129.491 -5.768 1.00 20.33 O ATOM 745 CB PRO A 73 -24.122 128.495 -8.008 1.00 22.20 C ATOM 746 CG PRO A 73 -23.098 128.068 -9.029 1.00 19.45 C ATOM 747 CD PRO A 73 -22.936 129.244 -9.976 1.00 25.08 C ATOM 748 N PHE A 74 -21.894 131.175 -6.961 1.00 17.97 N ATOM 749 CA PHE A 74 -20.934 131.559 -5.921 1.00 16.34 C ATOM 750 C PHE A 74 -20.100 130.365 -5.459 1.00 19.09 C ATOM 751 O PHE A 74 -19.911 130.148 -4.264 1.00 18.93 O ATOM 752 CB PHE A 74 -21.648 132.189 -4.729 1.00 16.16 C ATOM 753 CG PHE A 74 -22.604 133.273 -5.114 1.00 16.51 C ATOM 754 CD1 PHE A 74 -22.130 134.530 -5.417 1.00 16.78 C ATOM 755 CD2 PHE A 74 -23.966 133.029 -5.168 1.00 15.94 C ATOM 756 CE1 PHE A 74 -23.006 135.547 -5.768 1.00 18.23 C ATOM 757 CE2 PHE A 74 -24.864 134.043 -5.531 1.00 18.32 C ATOM 758 CZ PHE A 74 -24.380 135.302 -5.822 1.00 18.25 C ATOM 759 H PHE A 74 -21.874 131.669 -7.876 1.00 0.00 H ATOM 760 N ARG A 75 -19.583 129.602 -6.419 1.00 20.38 N ATOM 761 CA ARG A 75 -18.921 128.345 -6.093 1.00 17.76 C ATOM 762 C ARG A 75 -17.529 128.590 -5.532 1.00 22.10 C ATOM 763 O ARG A 75 -16.721 129.309 -6.136 1.00 24.15 O ATOM 764 CB ARG A 75 -18.834 127.455 -7.327 1.00 20.00 C ATOM 765 CG ARG A 75 -18.109 126.133 -7.059 1.00 20.16 C ATOM 766 CD ARG A 75 -17.971 125.382 -8.351 1.00 23.79 C ATOM 767 NE ARG A 75 -17.102 124.206 -8.210 1.00 31.23 N ATOM 768 CZ ARG A 75 -17.544 122.984 -7.936 1.00 41.16 C ATOM 769 NH1 ARG A 75 -18.843 122.777 -7.766 1.00 39.51 N ATOM 770 NH2 ARG A 75 -16.686 121.969 -7.837 1.00 37.09 N ATOM 771 HE ARG A 75 -16.078 124.339 -8.332 1.00 0.00 H ATOM 772 HH12 ARG A 75 -19.194 121.822 -7.551 1.00 0.00 H ATOM 773 HH11 ARG A 75 -19.511 123.570 -7.847 1.00 0.00 H ATOM 774 HH22 ARG A 75 -17.034 121.013 -7.622 1.00 0.00 H ATOM 775 HH21 ARG A 75 -15.668 122.133 -7.974 1.00 0.00 H ATOM 776 H ARG A 75 -19.652 129.906 -7.411 1.00 0.00 H ATOM 777 N ILE A 76 -17.254 127.993 -4.376 1.00 19.64 N ATOM 778 CA ILE A 76 -15.915 127.967 -3.798 1.00 19.19 C ATOM 779 C ILE A 76 -15.401 126.537 -3.855 1.00 19.51 C ATOM 780 O ILE A 76 -16.162 125.583 -3.657 1.00 16.73 O ATOM 781 CB ILE A 76 -15.878 128.505 -2.351 1.00 16.66 C ATOM 782 CG1 ILE A 76 -14.423 128.510 -1.844 1.00 20.12 C ATOM 783 CG2 ILE A 76 -16.781 127.692 -1.419 1.00 16.57 C ATOM 784 CD1 ILE A 76 -14.224 129.156 -0.484 1.00 21.97 C ATOM 785 H ILE A 76 -18.027 127.524 -3.862 1.00 0.00 H ATOM 786 N GLU A 77 -14.114 126.396 -4.166 1.00 18.73 N ATOM 787 CA GLU A 77 -13.417 125.116 -4.159 1.00 22.21 C ATOM 788 C GLU A 77 -12.163 125.271 -3.315 1.00 26.89 C ATOM 789 O GLU A 77 -11.408 126.228 -3.508 1.00 25.48 O ATOM 790 CB GLU A 77 -13.038 124.685 -5.579 1.00 27.41 C ATOM 791 CG GLU A 77 -14.224 124.429 -6.480 1.00 31.63 C ATOM 792 CD GLU A 77 -13.816 123.858 -7.822 1.00 52.44 C ATOM 793 OE1 GLU A 77 -12.656 124.071 -8.236 1.00 58.65 O ATOM 794 OE2 GLU A 77 -14.653 123.188 -8.457 1.00 54.81 O ATOM 795 H GLU A 77 -13.576 127.247 -4.429 1.00 0.00 H ATOM 796 N GLU A 78 -11.939 124.339 -2.385 1.00 21.44 N ATOM 797 CA GLU A 78 -10.765 124.375 -1.519 1.00 22.83 C ATOM 798 C GLU A 78 -10.324 122.944 -1.256 1.00 21.15 C ATOM 799 O GLU A 78 -10.910 122.004 -1.786 1.00 23.54 O ATOM 800 CB GLU A 78 -11.054 125.115 -0.210 1.00 26.18 C ATOM 801 CG GLU A 78 -10.493 126.523 -0.170 1.00 34.44 C ATOM 802 CD GLU A 78 -8.973 126.567 -0.263 1.00 34.49 C ATOM 803 OE1 GLU A 78 -8.306 125.534 -0.039 1.00 32.01 O ATOM 804 OE2 GLU A 78 -8.442 127.647 -0.579 1.00 38.01 O ATOM 805 H GLU A 78 -12.623 123.563 -2.275 1.00 0.00 H ATOM 806 N GLN A 79 -9.260 122.789 -0.458 1.00 24.77 N ATOM 807 CA GLN A 79 -8.730 121.491 -0.041 1.00 23.36 C ATOM 808 C GLN A 79 -8.408 121.539 1.443 1.00 25.99 C ATOM 809 O GLN A 79 -7.946 122.566 1.945 1.00 28.69 O ATOM 810 CB GLN A 79 -7.435 121.106 -0.789 1.00 28.61 C ATOM 811 CG GLN A 79 -7.506 121.133 -2.286 1.00 40.67 C ATOM 812 CD GLN A 79 -6.161 120.816 -2.927 1.00 43.54 C ATOM 813 OE1 GLN A 79 -5.151 120.625 -2.239 1.00 43.02 O ATOM 814 NE2 GLN A 79 -6.147 120.746 -4.249 1.00 47.22 N ATOM 815 HE22 GLN A 79 -7.020 120.914 -4.788 1.00 0.00 H ATOM 816 HE21 GLN A 79 -5.263 120.523 -4.749 1.00 0.00 H ATOM 817 H GLN A 79 -8.780 123.645 -0.113 1.00 0.00 H ATOM 818 N GLY A 80 -8.615 120.428 2.141 1.00 23.39 N ATOM 819 CA GLY A 80 -8.274 120.416 3.551 1.00 25.18 C ATOM 820 C GLY A 80 -8.549 119.065 4.161 1.00 23.06 C ATOM 821 O GLY A 80 -9.002 118.136 3.496 1.00 25.89 O ATOM 822 H GLY A 80 -9.014 119.583 1.685 1.00 0.00 H ATOM 823 N TRP A 81 -8.283 118.964 5.458 1.00 24.61 N ATOM 824 CA TRP A 81 -8.323 117.673 6.123 1.00 24.47 C ATOM 825 C TRP A 81 -9.375 117.570 7.221 1.00 26.77 C ATOM 826 O TRP A 81 -9.573 116.474 7.756 1.00 27.89 O ATOM 827 CB TRP A 81 -6.939 117.350 6.705 1.00 31.33 C ATOM 828 CG TRP A 81 -6.287 118.554 7.269 1.00 35.12 C ATOM 829 CD1 TRP A 81 -5.408 119.383 6.637 1.00 42.79 C ATOM 830 CD2 TRP A 81 -6.481 119.093 8.577 1.00 44.19 C ATOM 831 NE1 TRP A 81 -5.037 120.405 7.475 1.00 45.73 N ATOM 832 CE2 TRP A 81 -5.683 120.250 8.673 1.00 41.70 C ATOM 833 CE3 TRP A 81 -7.247 118.707 9.680 1.00 45.62 C ATOM 834 CZ2 TRP A 81 -5.624 121.021 9.831 1.00 55.31 C ATOM 835 CZ3 TRP A 81 -7.191 119.476 10.828 1.00 49.61 C ATOM 836 CH2 TRP A 81 -6.385 120.619 10.895 1.00 55.33 C ATOM 837 HE1 TRP A 81 -4.374 121.171 7.239 1.00 0.00 H ATOM 838 H TRP A 81 -8.044 119.817 6.003 1.00 0.00 H ATOM 839 N GLY A 82 -10.071 118.652 7.557 1.00 30.72 N ATOM 840 CA GLY A 82 -11.033 118.614 8.645 1.00 28.81 C ATOM 841 C GLY A 82 -12.266 119.435 8.335 1.00 22.96 C ATOM 842 O GLY A 82 -12.203 120.460 7.658 1.00 23.90 O ATOM 843 H GLY A 82 -9.925 119.538 7.033 1.00 0.00 H ATOM 844 N GLY A 83 -13.406 118.961 8.828 1.00 27.82 N ATOM 845 CA GLY A 83 -14.620 119.745 8.708 1.00 25.31 C ATOM 846 C GLY A 83 -14.668 120.871 9.730 1.00 24.83 C ATOM 847 O GLY A 83 -13.955 120.858 10.732 1.00 29.32 O ATOM 848 H GLY A 83 -13.427 118.033 9.297 1.00 0.00 H ATOM 849 N PHE A 84 -15.542 121.847 9.487 1.00 24.73 N ATOM 850 CA PHE A 84 -15.629 122.989 10.390 1.00 30.70 C ATOM 851 C PHE A 84 -16.951 123.701 10.189 1.00 29.68 C ATOM 852 O PHE A 84 -17.515 123.657 9.092 1.00 23.35 O ATOM 853 CB PHE A 84 -14.470 123.974 10.158 1.00 24.64 C ATOM 854 CG PHE A 84 -14.299 124.401 8.719 1.00 20.90 C ATOM 855 CD1 PHE A 84 -13.539 123.645 7.846 1.00 22.37 C ATOM 856 CD2 PHE A 84 -14.862 125.586 8.255 1.00 24.57 C ATOM 857 CE1 PHE A 84 -13.348 124.037 6.530 1.00 26.18 C ATOM 858 CE2 PHE A 84 -14.684 125.986 6.936 1.00 30.32 C ATOM 859 CZ PHE A 84 -13.925 125.204 6.072 1.00 29.62 C ATOM 860 H PHE A 84 -16.162 121.794 8.654 1.00 0.00 H ATOM 861 N PRO A 85 -17.454 124.386 11.211 1.00 24.96 N ATOM 862 CA PRO A 85 -18.551 125.328 10.992 1.00 23.35 C ATOM 863 C PRO A 85 -18.028 126.608 10.369 1.00 28.41 C ATOM 864 O PRO A 85 -16.902 127.044 10.611 1.00 31.45 O ATOM 865 CB PRO A 85 -19.088 125.579 12.406 1.00 30.74 C ATOM 866 CG PRO A 85 -17.896 125.381 13.289 1.00 39.56 C ATOM 867 CD PRO A 85 -17.028 124.338 12.621 1.00 30.31 C ATOM 868 N LEU A 86 -18.857 127.212 9.537 1.00 27.08 N ATOM 869 CA LEU A 86 -18.452 128.491 8.981 1.00 28.39 C ATOM 870 C LEU A 86 -19.685 129.338 8.779 1.00 39.06 C ATOM 871 O LEU A 86 -20.792 128.821 8.621 1.00 40.07 O ATOM 872 CB LEU A 86 -17.677 128.313 7.670 1.00 31.52 C ATOM 873 CG LEU A 86 -18.435 127.759 6.463 1.00 36.75 C ATOM 874 CD1 LEU A 86 -17.833 128.312 5.177 1.00 34.81 C ATOM 875 CD2 LEU A 86 -18.441 126.237 6.456 1.00 37.14 C ATOM 876 H LEU A 86 -19.772 126.785 9.288 1.00 0.00 H ATOM 877 N ASP A 87 -19.484 130.643 8.826 1.00 37.34 N ATOM 878 CA ASP A 87 -20.510 131.576 8.422 1.00 43.14 C ATOM 879 C ASP A 87 -20.289 131.901 6.957 1.00 24.14 C ATOM 880 O ASP A 87 -19.156 132.096 6.509 1.00 22.64 O ATOM 881 CB ASP A 87 -20.470 132.845 9.277 1.00 43.57 C ATOM 882 CG ASP A 87 -21.398 132.769 10.482 1.00 54.65 C ATOM 883 OD1 ASP A 87 -22.241 131.847 10.537 1.00 55.56 O ATOM 884 OD2 ASP A 87 -21.279 133.627 11.381 1.00 52.44 O ATOM 885 H ASP A 87 -18.569 131.006 9.161 1.00 0.00 H ATOM 886 N ILE A 88 -21.376 131.904 6.206 1.00 20.07 N ATOM 887 CA ILE A 88 -21.372 132.344 4.824 1.00 17.44 C ATOM 888 C ILE A 88 -22.097 133.671 4.808 1.00 20.51 C ATOM 889 O ILE A 88 -23.294 133.719 5.105 1.00 23.82 O ATOM 890 CB ILE A 88 -22.082 131.339 3.914 1.00 18.04 C ATOM 891 CG1 ILE A 88 -21.396 129.977 3.978 1.00 20.74 C ATOM 892 CG2 ILE A 88 -22.127 131.865 2.486 1.00 18.71 C ATOM 893 CD1 ILE A 88 -22.149 128.945 3.183 1.00 24.27 C ATOM 894 H ILE A 88 -22.271 131.578 6.623 1.00 0.00 H ATOM 895 N SER A 89 -21.395 134.745 4.468 1.00 14.36 N ATOM 896 CA SER A 89 -22.045 136.053 4.390 1.00 14.29 C ATOM 897 C SER A 89 -22.637 136.222 2.995 1.00 16.16 C ATOM 898 O SER A 89 -21.908 136.188 1.999 1.00 17.60 O ATOM 899 CB SER A 89 -21.034 137.165 4.692 1.00 15.13 C ATOM 900 OG SER A 89 -20.852 137.350 6.093 1.00 18.85 O ATOM 901 HG SER A 89 -20.194 138.074 6.246 1.00 0.00 H ATOM 902 H SER A 89 -20.381 134.656 4.257 1.00 0.00 H ATOM 903 N VAL A 90 -23.950 136.430 2.909 1.00 15.61 N ATOM 904 CA VAL A 90 -24.592 136.718 1.632 1.00 12.46 C ATOM 905 C VAL A 90 -25.064 138.164 1.683 1.00 14.15 C ATOM 906 O VAL A 90 -25.593 138.613 2.702 1.00 15.96 O ATOM 907 CB VAL A 90 -25.746 135.741 1.323 1.00 12.63 C ATOM 908 CG1 VAL A 90 -25.217 134.301 1.264 1.00 14.29 C ATOM 909 CG2 VAL A 90 -26.854 135.841 2.349 1.00 15.44 C ATOM 910 H VAL A 90 -24.530 136.386 3.771 1.00 0.00 H ATOM 911 N PHE A 91 -24.798 138.911 0.621 1.00 12.88 N ATOM 912 CA PHE A 91 -25.100 140.338 0.587 1.00 12.81 C ATOM 913 C PHE A 91 -26.214 140.542 -0.414 1.00 13.33 C ATOM 914 O PHE A 91 -26.047 140.244 -1.599 1.00 14.79 O ATOM 915 CB PHE A 91 -23.867 141.166 0.214 1.00 16.42 C ATOM 916 CG PHE A 91 -22.845 141.239 1.312 1.00 16.25 C ATOM 917 CD1 PHE A 91 -22.836 142.301 2.200 1.00 17.23 C ATOM 918 CD2 PHE A 91 -21.898 140.225 1.467 1.00 18.77 C ATOM 919 CE1 PHE A 91 -21.893 142.366 3.228 1.00 19.29 C ATOM 920 CE2 PHE A 91 -20.959 140.279 2.494 1.00 19.17 C ATOM 921 CZ PHE A 91 -20.959 141.343 3.373 1.00 18.40 C ATOM 922 H PHE A 91 -24.361 138.467 -0.212 1.00 0.00 H ATOM 923 N LEU A 92 -27.363 140.991 0.086 1.00 13.95 N ATOM 924 CA LEU A 92 -28.514 141.235 -0.770 1.00 13.77 C ATOM 925 C LEU A 92 -28.241 142.394 -1.727 1.00 16.71 C ATOM 926 O LEU A 92 -27.469 143.309 -1.426 1.00 16.59 O ATOM 927 CB LEU A 92 -29.733 141.562 0.088 1.00 13.61 C ATOM 928 CG LEU A 92 -30.223 140.410 0.955 1.00 17.29 C ATOM 929 CD1 LEU A 92 -31.153 140.936 2.062 1.00 19.62 C ATOM 930 CD2 LEU A 92 -30.925 139.377 0.071 1.00 15.58 C ATOM 931 H LEU A 92 -27.439 141.171 1.107 1.00 0.00 H ATOM 932 N LEU A 93 -28.910 142.362 -2.886 1.00 15.51 N ATOM 933 CA LEU A 93 -28.820 143.457 -3.852 1.00 15.56 C ATOM 934 C LEU A 93 -29.147 144.798 -3.210 1.00 14.70 C ATOM 935 O LEU A 93 -29.865 144.841 -2.215 1.00 15.86 O ATOM 936 CB LEU A 93 -29.815 143.253 -5.005 1.00 15.55 C ATOM 937 CG LEU A 93 -29.696 142.026 -5.890 1.00 16.65 C ATOM 938 CD1 LEU A 93 -30.746 142.136 -6.988 1.00 18.43 C ATOM 939 CD2 LEU A 93 -28.288 141.956 -6.465 1.00 20.27 C ATOM 940 H LEU A 93 -29.508 141.540 -3.105 1.00 0.00 H ATOM 941 N GLU A 94 -28.668 145.893 -3.813 1.00 14.55 N ATOM 942 CA GLU A 94 -29.087 147.260 -3.457 1.00 14.57 C ATOM 943 C GLU A 94 -28.777 147.597 -2.004 1.00 18.27 C ATOM 944 O GLU A 94 -29.528 148.345 -1.363 1.00 19.61 O ATOM 945 CB GLU A 94 -30.560 147.520 -3.758 1.00 17.46 C ATOM 946 CG GLU A 94 -30.864 147.375 -5.227 1.00 19.51 C ATOM 947 CD GLU A 94 -30.238 148.502 -6.026 1.00 23.33 C ATOM 948 OE1 GLU A 94 -30.873 149.564 -6.183 1.00 20.25 O ATOM 949 OE2 GLU A 94 -29.096 148.304 -6.506 1.00 24.36 O ATOM 950 H GLU A 94 -27.965 145.773 -4.570 1.00 0.00 H ATOM 951 N LYS A 95 -27.677 147.024 -1.502 1.00 20.00 N ATOM 952 CA LYS A 95 -27.214 147.250 -0.134 1.00 20.55 C ATOM 953 C LYS A 95 -28.312 146.932 0.871 1.00 20.15 C ATOM 954 O LYS A 95 -28.424 147.567 1.928 1.00 19.48 O ATOM 955 CB LYS A 95 -26.713 148.685 0.050 1.00 24.77 C ATOM 956 CG LYS A 95 -25.452 148.995 -0.730 1.00 33.26 C ATOM 957 CD LYS A 95 -24.926 150.385 -0.363 1.00 42.68 C ATOM 958 CE LYS A 95 -24.857 151.285 -1.577 1.00 62.82 C ATOM 959 NZ LYS A 95 -23.572 151.121 -2.311 1.00 70.70 N ATOM 960 HZ1 LYS A 95 -22.781 151.360 -1.680 1.00 0.00 H ATOM 961 HZ2 LYS A 95 -23.479 150.135 -2.628 1.00 0.00 H ATOM 962 HZ3 LYS A 95 -23.562 151.754 -3.136 1.00 0.00 H ATOM 963 H LYS A 95 -27.126 146.388 -2.113 1.00 0.00 H ATOM 964 N ALA A 96 -29.159 145.964 0.539 1.00 16.07 N ATOM 965 CA ALA A 96 -30.293 145.696 1.411 1.00 13.78 C ATOM 966 C ALA A 96 -29.904 144.960 2.685 1.00 17.77 C ATOM 967 O ALA A 96 -30.687 144.970 3.638 1.00 19.59 O ATOM 968 CB ALA A 96 -31.377 144.909 0.677 1.00 17.55 C ATOM 969 H ALA A 96 -29.014 145.408 -0.328 1.00 0.00 H ATOM 970 N GLY A 97 -28.746 144.324 2.730 1.00 16.14 N ATOM 971 CA GLY A 97 -28.255 143.793 3.989 1.00 15.08 C ATOM 972 C GLY A 97 -27.417 142.537 3.841 1.00 15.65 C ATOM 973 O GLY A 97 -27.585 141.742 2.923 1.00 17.04 O ATOM 974 H GLY A 97 -28.186 144.204 1.862 1.00 0.00 H ATOM 975 N GLU A 98 -26.488 142.368 4.784 1.00 14.98 N ATOM 976 CA GLU A 98 -25.745 141.125 4.929 1.00 14.83 C ATOM 977 C GLU A 98 -26.565 140.147 5.765 1.00 16.43 C ATOM 978 O GLU A 98 -27.206 140.541 6.746 1.00 19.69 O ATOM 979 CB GLU A 98 -24.401 141.421 5.599 1.00 15.89 C ATOM 980 CG GLU A 98 -23.523 140.188 5.877 1.00 18.62 C ATOM 981 CD GLU A 98 -22.259 140.553 6.620 1.00 22.50 C ATOM 982 OE1 GLU A 98 -21.354 139.696 6.714 1.00 20.92 O ATOM 983 OE2 GLU A 98 -22.172 141.698 7.110 1.00 24.31 O ATOM 984 H GLU A 98 -26.288 143.152 5.438 1.00 0.00 H ATOM 985 N ARG A 99 -26.575 138.880 5.351 1.00 16.15 N ATOM 986 CA ARG A 99 -27.114 137.798 6.163 1.00 18.40 C ATOM 987 C ARG A 99 -25.998 136.801 6.390 1.00 19.70 C ATOM 988 O ARG A 99 -25.294 136.440 5.450 1.00 20.16 O ATOM 989 CB ARG A 99 -28.306 137.105 5.492 1.00 19.57 C ATOM 990 CG ARG A 99 -29.485 138.016 5.183 1.00 22.46 C ATOM 991 CD ARG A 99 -30.228 138.391 6.462 1.00 22.02 C ATOM 992 NE ARG A 99 -31.371 139.254 6.181 1.00 23.49 N ATOM 993 CZ ARG A 99 -31.308 140.578 6.157 1.00 24.78 C ATOM 994 NH1 ARG A 99 -30.146 141.191 6.381 1.00 23.20 N ATOM 995 NH2 ARG A 99 -32.393 141.288 5.887 1.00 28.43 N ATOM 996 HE ARG A 99 -32.289 138.804 5.988 1.00 0.00 H ATOM 997 HH12 ARG A 99 -30.094 142.230 6.363 1.00 0.00 H ATOM 998 HH11 ARG A 99 -29.291 140.631 6.574 1.00 0.00 H ATOM 999 HH22 ARG A 99 -32.343 142.327 5.868 1.00 0.00 H ATOM 1000 HH21 ARG A 99 -33.295 140.807 5.694 1.00 0.00 H ATOM 1001 H ARG A 99 -26.184 138.656 4.414 1.00 0.00 H ATOM 1002 N LYS A 100 -25.823 136.375 7.629 1.00 21.38 N ATOM 1003 CA LYS A 100 -24.836 135.353 7.951 1.00 23.45 C ATOM 1004 C LYS A 100 -25.567 134.020 8.003 1.00 32.69 C ATOM 1005 O LYS A 100 -26.433 133.815 8.855 1.00 26.55 O ATOM 1006 CB LYS A 100 -24.138 135.661 9.269 1.00 35.06 C ATOM 1007 CG LYS A 100 -23.322 136.941 9.247 1.00 42.56 C ATOM 1008 CD LYS A 100 -22.027 136.758 10.012 1.00 54.97 C ATOM 1009 CE LYS A 100 -21.628 138.022 10.743 1.00 52.77 C ATOM 1010 NZ LYS A 100 -20.409 137.783 11.558 1.00 63.94 N ATOM 1011 HZ1 LYS A 100 -20.600 137.034 12.253 1.00 0.00 H ATOM 1012 HZ2 LYS A 100 -19.629 137.489 10.935 1.00 0.00 H ATOM 1013 HZ3 LYS A 100 -20.148 138.659 12.054 1.00 0.00 H ATOM 1014 H LYS A 100 -26.403 136.779 8.392 1.00 0.00 H ATOM 1015 N ILE A 101 -25.237 133.125 7.083 1.00 31.50 N ATOM 1016 CA ILE A 101 -25.889 131.826 6.977 1.00 26.50 C ATOM 1017 C ILE A 101 -24.953 130.781 7.573 1.00 29.09 C ATOM 1018 O ILE A 101 -23.829 130.617 7.073 1.00 26.91 O ATOM 1019 CB ILE A 101 -26.261 131.502 5.528 1.00 29.48 C ATOM 1020 CG1 ILE A 101 -27.252 132.567 5.068 1.00 31.94 C ATOM 1021 CG2 ILE A 101 -26.882 130.116 5.444 1.00 33.10 C ATOM 1022 CD1 ILE A 101 -27.553 132.552 3.650 1.00 45.88 C ATOM 1023 H ILE A 101 -24.481 133.360 6.408 1.00 0.00 H ATOM 1024 N PRO A 102 -25.346 130.102 8.650 1.00 32.44 N ATOM 1025 CA PRO A 102 -24.452 129.127 9.275 1.00 31.28 C ATOM 1026 C PRO A 102 -24.414 127.864 8.434 1.00 29.99 C ATOM 1027 O PRO A 102 -25.451 127.322 8.049 1.00 40.46 O ATOM 1028 CB PRO A 102 -25.100 128.872 10.640 1.00 36.80 C ATOM 1029 CG PRO A 102 -26.558 129.075 10.388 1.00 40.76 C ATOM 1030 CD PRO A 102 -26.679 130.114 9.284 1.00 30.76 C ATOM 1031 N HIS A 103 -23.216 127.419 8.124 1.00 24.69 N ATOM 1032 CA HIS A 103 -23.012 126.184 7.391 1.00 26.22 C ATOM 1033 C HIS A 103 -22.056 125.314 8.184 1.00 31.18 C ATOM 1034 O HIS A 103 -21.346 125.789 9.074 1.00 32.20 O ATOM 1035 CB HIS A 103 -22.449 126.444 5.987 1.00 27.62 C ATOM 1036 CG HIS A 103 -22.423 125.228 5.113 1.00 20.52 C ATOM 1037 ND1 HIS A 103 -23.489 124.363 5.020 1.00 21.39 N ATOM 1038 CD2 HIS A 103 -21.463 124.736 4.290 1.00 21.56 C ATOM 1039 CE1 HIS A 103 -23.194 123.393 4.169 1.00 21.92 C ATOM 1040 NE2 HIS A 103 -21.972 123.598 3.711 1.00 20.94 N ATOM 1041 H HIS A 103 -22.385 127.972 8.415 1.00 0.00 H ATOM 1042 N ASP A 104 -22.056 124.020 7.868 1.00 25.72 N ATOM 1043 CA ASP A 104 -21.057 123.104 8.393 1.00 23.46 C ATOM 1044 C ASP A 104 -20.463 122.354 7.217 1.00 23.52 C ATOM 1045 O ASP A 104 -21.184 121.660 6.496 1.00 22.88 O ATOM 1046 CB ASP A 104 -21.636 122.118 9.409 1.00 29.58 C ATOM 1047 CG ASP A 104 -20.560 121.402 10.172 1.00 34.06 C ATOM 1048 OD1 ASP A 104 -20.128 120.297 9.738 1.00 30.25 O ATOM 1049 OD2 ASP A 104 -20.123 121.955 11.203 1.00 30.11 O ATOM 1050 H ASP A 104 -22.791 123.655 7.228 1.00 0.00 H ATOM 1051 N LEU A 105 -19.170 122.538 7.001 1.00 21.78 N ATOM 1052 CA LEU A 105 -18.437 121.832 5.962 1.00 21.03 C ATOM 1053 C LEU A 105 -17.920 120.542 6.576 1.00 24.01 C ATOM 1054 O LEU A 105 -17.136 120.575 7.525 1.00 27.52 O ATOM 1055 CB LEU A 105 -17.303 122.718 5.437 1.00 23.91 C ATOM 1056 CG LEU A 105 -16.422 122.268 4.270 1.00 23.82 C ATOM 1057 CD1 LEU A 105 -15.421 121.203 4.714 1.00 22.84 C ATOM 1058 CD2 LEU A 105 -17.262 121.761 3.128 1.00 24.53 C ATOM 1059 H LEU A 105 -18.657 123.216 7.600 1.00 0.00 H ATOM 1060 N ASN A 106 -18.377 119.400 6.073 1.00 21.82 N ATOM 1061 CA ASN A 106 -17.955 118.163 6.696 1.00 23.29 C ATOM 1062 C ASN A 106 -17.889 117.065 5.647 1.00 23.32 C ATOM 1063 O ASN A 106 -18.238 117.260 4.480 1.00 25.53 O ATOM 1064 CB ASN A 106 -18.869 117.773 7.865 1.00 29.84 C ATOM 1065 CG ASN A 106 -20.295 117.559 7.437 1.00 30.43 C ATOM 1066 OD1 ASN A 106 -20.610 116.565 6.795 1.00 30.61 O ATOM 1067 ND2 ASN A 106 -21.171 118.499 7.784 1.00 30.55 N ATOM 1068 HD22 ASN A 106 -20.857 119.327 8.330 1.00 0.00 H ATOM 1069 HD21 ASN A 106 -22.170 118.406 7.509 1.00 0.00 H ATOM 1070 H ASN A 106 -19.019 119.395 5.255 1.00 0.00 H ATOM 1071 N PHE A 107 -17.408 115.908 6.078 1.00 23.09 N ATOM 1072 CA PHE A 107 -17.113 114.818 5.160 1.00 23.47 C ATOM 1073 C PHE A 107 -18.032 113.625 5.388 1.00 26.28 C ATOM 1074 O PHE A 107 -17.695 112.503 4.999 1.00 30.16 O ATOM 1075 CB PHE A 107 -15.641 114.411 5.283 1.00 23.73 C ATOM 1076 CG PHE A 107 -14.681 115.579 5.253 1.00 25.03 C ATOM 1077 CD1 PHE A 107 -13.580 115.611 6.105 1.00 26.94 C ATOM 1078 CD2 PHE A 107 -14.880 116.644 4.374 1.00 21.55 C ATOM 1079 CE1 PHE A 107 -12.684 116.684 6.068 1.00 23.13 C ATOM 1080 CE2 PHE A 107 -13.997 117.732 4.340 1.00 23.42 C ATOM 1081 CZ PHE A 107 -12.896 117.746 5.189 1.00 24.07 C ATOM 1082 H PHE A 107 -17.237 115.776 7.095 1.00 0.00 H ATOM 1083 N LEU A 108 -19.192 113.857 6.010 1.00 30.69 N ATOM 1084 CA LEU A 108 -20.092 112.765 6.367 1.00 33.14 C ATOM 1085 C LEU A 108 -20.773 112.164 5.144 1.00 36.90 C ATOM 1086 O LEU A 108 -21.204 111.005 5.184 1.00 34.97 O ATOM 1087 CB LEU A 108 -21.134 113.264 7.367 1.00 34.86 C ATOM 1088 CG LEU A 108 -20.566 113.736 8.709 1.00 36.62 C ATOM 1089 CD1 LEU A 108 -21.612 114.531 9.497 1.00 40.97 C ATOM 1090 CD2 LEU A 108 -20.049 112.546 9.517 1.00 34.70 C ATOM 1091 H LEU A 108 -19.458 114.835 6.244 1.00 0.00 H ATOM 1092 N GLN A 109 -20.902 112.934 4.068 1.00 32.50 N ATOM 1093 CA GLN A 109 -21.404 112.443 2.794 1.00 38.16 C ATOM 1094 C GLN A 109 -20.533 112.986 1.669 1.00 38.67 C ATOM 1095 O GLN A 109 -19.906 114.041 1.805 1.00 35.34 O ATOM 1096 CB GLN A 109 -22.859 112.858 2.564 1.00 43.48 C ATOM 1097 CG GLN A 109 -23.807 112.455 3.670 1.00 48.86 C ATOM 1098 CD GLN A 109 -25.224 112.893 3.387 1.00 56.67 C ATOM 1099 OE1 GLN A 109 -25.722 112.736 2.272 1.00 59.28 O ATOM 1100 NE2 GLN A 109 -25.880 113.462 4.391 1.00 56.91 N ATOM 1101 HE22 GLN A 109 -25.419 113.574 5.316 1.00 0.00 H ATOM 1102 HE21 GLN A 109 -26.855 113.796 4.252 1.00 0.00 H ATOM 1103 H GLN A 109 -20.631 113.935 4.141 1.00 0.00 H ATOM 1104 N GLU A 110 -20.509 112.257 0.548 1.00 28.02 N ATOM 1105 CA GLU A 110 -19.844 112.759 -0.654 1.00 27.31 C ATOM 1106 C GLU A 110 -20.451 114.080 -1.117 1.00 25.12 C ATOM 1107 O GLU A 110 -19.739 114.970 -1.601 1.00 25.05 O ATOM 1108 CB GLU A 110 -19.942 111.719 -1.770 1.00 32.35 C ATOM 1109 CG GLU A 110 -19.290 112.135 -3.073 1.00 41.66 C ATOM 1110 CD GLU A 110 -18.587 110.974 -3.757 1.00 71.04 C ATOM 1111 OE1 GLU A 110 -17.783 110.280 -3.093 1.00 77.18 O ATOM 1112 OE2 GLU A 110 -18.848 110.751 -4.959 1.00 79.97 O ATOM 1113 H GLU A 110 -20.968 111.324 0.531 1.00 0.00 H ATOM 1114 N SER A 111 -21.767 114.218 -0.993 1.00 26.31 N ATOM 1115 CA SER A 111 -22.438 115.476 -1.284 1.00 24.83 C ATOM 1116 C SER A 111 -23.668 115.574 -0.403 1.00 25.67 C ATOM 1117 O SER A 111 -24.276 114.558 -0.044 1.00 31.60 O ATOM 1118 CB SER A 111 -22.835 115.582 -2.755 1.00 29.93 C ATOM 1119 OG SER A 111 -23.678 114.510 -3.108 1.00 32.80 O ATOM 1120 HG SER A 111 -24.494 114.535 -2.548 1.00 0.00 H ATOM 1121 H SER A 111 -22.333 113.404 -0.679 1.00 0.00 H ATOM 1122 N TYR A 112 -24.030 116.804 -0.056 1.00 23.64 N ATOM 1123 CA TYR A 112 -25.172 117.001 0.817 1.00 22.80 C ATOM 1124 C TYR A 112 -25.651 118.429 0.655 1.00 23.68 C ATOM 1125 O TYR A 112 -24.864 119.330 0.339 1.00 22.83 O ATOM 1126 CB TYR A 112 -24.826 116.701 2.284 1.00 23.83 C ATOM 1127 CG TYR A 112 -23.726 117.568 2.879 1.00 22.25 C ATOM 1128 CD1 TYR A 112 -22.387 117.227 2.729 1.00 23.10 C ATOM 1129 CD2 TYR A 112 -24.029 118.717 3.604 1.00 24.33 C ATOM 1130 CE1 TYR A 112 -21.382 118.002 3.270 1.00 22.30 C ATOM 1131 CE2 TYR A 112 -23.030 119.504 4.153 1.00 23.21 C ATOM 1132 CZ TYR A 112 -21.709 119.141 3.989 1.00 23.20 C ATOM 1133 OH TYR A 112 -20.718 119.920 4.528 1.00 22.22 O ATOM 1134 HH TYR A 112 -20.836 119.969 5.510 1.00 0.00 H ATOM 1135 H TYR A 112 -23.496 117.624 -0.409 1.00 0.00 H ATOM 1136 N GLU A 113 -26.949 118.621 0.869 1.00 23.12 N ATOM 1137 CA GLU A 113 -27.580 119.924 0.698 1.00 24.53 C ATOM 1138 C GLU A 113 -28.279 120.328 1.988 1.00 28.48 C ATOM 1139 O GLU A 113 -28.837 119.478 2.694 1.00 29.71 O ATOM 1140 CB GLU A 113 -28.576 119.880 -0.463 1.00 27.19 C ATOM 1141 CG GLU A 113 -27.935 119.525 -1.798 1.00 34.20 C ATOM 1142 CD GLU A 113 -27.722 118.030 -1.961 1.00 44.61 C ATOM 1143 OE1 GLU A 113 -28.679 117.272 -1.702 1.00 47.66 O ATOM 1144 OE2 GLU A 113 -26.602 117.614 -2.340 1.00 35.99 O ATOM 1145 H GLU A 113 -27.534 117.815 1.168 1.00 0.00 H ATOM 1146 N VAL A 114 -28.251 121.626 2.299 1.00 23.18 N ATOM 1147 CA VAL A 114 -28.871 122.153 3.512 1.00 23.24 C ATOM 1148 C VAL A 114 -29.646 123.406 3.143 1.00 24.86 C ATOM 1149 O VAL A 114 -29.121 124.275 2.448 1.00 22.30 O ATOM 1150 CB VAL A 114 -27.834 122.482 4.604 1.00 27.18 C ATOM 1151 CG1 VAL A 114 -28.542 122.944 5.874 1.00 30.97 C ATOM 1152 CG2 VAL A 114 -26.935 121.267 4.892 1.00 27.73 C ATOM 1153 H VAL A 114 -27.770 122.286 1.654 1.00 0.00 H ATOM 1154 N GLU A 115 -30.884 123.505 3.611 1.00 26.23 N ATOM 1155 CA GLU A 115 -31.719 124.659 3.314 1.00 23.72 C ATOM 1156 C GLU A 115 -31.761 125.606 4.509 1.00 24.42 C ATOM 1157 O GLU A 115 -31.763 125.170 5.664 1.00 26.07 O ATOM 1158 CB GLU A 115 -33.130 124.211 2.921 1.00 27.32 C ATOM 1159 CG GLU A 115 -33.140 123.373 1.641 1.00 28.88 C ATOM 1160 CD GLU A 115 -34.481 122.734 1.339 1.00 33.24 C ATOM 1161 OE1 GLU A 115 -35.480 123.080 2.005 1.00 33.23 O ATOM 1162 OE2 GLU A 115 -34.534 121.888 0.420 1.00 34.10 O ATOM 1163 H GLU A 115 -31.266 122.740 4.203 1.00 0.00 H ATOM 1164 N HIS A 116 -31.780 126.908 4.220 1.00 24.34 N ATOM 1165 CA HIS A 116 -31.827 127.951 5.235 1.00 22.62 C ATOM 1166 C HIS A 116 -32.810 129.014 4.790 1.00 21.42 C ATOM 1167 O HIS A 116 -32.816 129.390 3.622 1.00 22.07 O ATOM 1168 CB HIS A 116 -30.458 128.606 5.446 1.00 29.68 C ATOM 1169 CG HIS A 116 -29.427 127.673 5.988 1.00 31.83 C ATOM 1170 ND1 HIS A 116 -29.178 127.551 7.337 1.00 32.65 N ATOM 1171 CD2 HIS A 116 -28.585 126.813 5.368 1.00 33.49 C ATOM 1172 CE1 HIS A 116 -28.229 126.651 7.526 1.00 37.72 C ATOM 1173 NE2 HIS A 116 -27.851 126.189 6.347 1.00 35.05 N ATOM 1174 H HIS A 116 -31.760 127.192 3.220 1.00 0.00 H ATOM 1175 N VAL A 117 -33.624 129.502 5.717 1.00 21.49 N ATOM 1176 CA VAL A 117 -34.587 130.554 5.422 1.00 21.88 C ATOM 1177 C VAL A 117 -33.964 131.886 5.807 1.00 22.75 C ATOM 1178 O VAL A 117 -33.393 132.017 6.896 1.00 25.96 O ATOM 1179 CB VAL A 117 -35.907 130.322 6.173 1.00 25.04 C ATOM 1180 CG1 VAL A 117 -36.876 131.463 5.883 1.00 26.81 C ATOM 1181 CG2 VAL A 117 -36.511 128.988 5.760 1.00 28.11 C ATOM 1182 H VAL A 117 -33.573 129.122 6.684 1.00 0.00 H ATOM 1183 N ILE A 118 -34.056 132.872 4.917 1.00 21.54 N ATOM 1184 CA ILE A 118 -33.640 134.225 5.251 1.00 19.01 C ATOM 1185 C ILE A 118 -34.814 135.164 5.013 1.00 23.19 C ATOM 1186 O ILE A 118 -35.684 134.904 4.175 1.00 20.33 O ATOM 1187 CB ILE A 118 -32.406 134.693 4.457 1.00 19.37 C ATOM 1188 CG1 ILE A 118 -32.678 134.686 2.959 1.00 20.03 C ATOM 1189 CG2 ILE A 118 -31.192 133.793 4.758 1.00 24.20 C ATOM 1190 CD1 ILE A 118 -31.577 135.379 2.137 1.00 19.21 C ATOM 1191 H ILE A 118 -34.431 132.671 3.968 1.00 0.00 H ATOM 1192 N GLN A 119 -34.816 136.259 5.768 1.00 19.72 N ATOM 1193 CA GLN A 119 -35.822 137.314 5.679 1.00 21.09 C ATOM 1194 C GLN A 119 -35.217 138.468 4.897 1.00 23.50 C ATOM 1195 O GLN A 119 -34.101 138.902 5.200 1.00 23.59 O ATOM 1196 CB GLN A 119 -36.246 137.793 7.068 1.00 34.51 C ATOM 1197 CG GLN A 119 -37.588 137.283 7.539 1.00 51.29 C ATOM 1198 CD GLN A 119 -38.062 137.993 8.796 1.00 63.97 C ATOM 1199 OE1 GLN A 119 -37.462 138.978 9.233 1.00 64.62 O ATOM 1200 NE2 GLN A 119 -39.139 137.492 9.387 1.00 71.64 N ATOM 1201 HE22 GLN A 119 -39.614 136.659 8.983 1.00 0.00 H ATOM 1202 HE21 GLN A 119 -39.509 137.932 10.254 1.00 0.00 H ATOM 1203 H GLN A 119 -34.053 136.371 6.466 1.00 0.00 H ATOM 1204 N ILE A 120 -35.944 138.947 3.891 1.00 19.35 N ATOM 1205 CA ILE A 120 -35.425 139.905 2.916 1.00 14.99 C ATOM 1206 C ILE A 120 -36.347 141.115 2.885 1.00 18.74 C ATOM 1207 O ILE A 120 -37.568 140.952 2.787 1.00 20.07 O ATOM 1208 CB ILE A 120 -35.321 139.268 1.522 1.00 17.92 C ATOM 1209 CG1 ILE A 120 -34.433 138.018 1.588 1.00 20.35 C ATOM 1210 CG2 ILE A 120 -34.788 140.265 0.508 1.00 15.38 C ATOM 1211 CD1 ILE A 120 -34.534 137.138 0.358 1.00 20.42 C ATOM 1212 H ILE A 120 -36.928 138.625 3.794 1.00 0.00 H ATOM 1213 N PRO A 121 -35.826 142.332 2.931 1.00 19.04 N ATOM 1214 CA PRO A 121 -36.714 143.498 2.900 1.00 18.98 C ATOM 1215 C PRO A 121 -37.308 143.728 1.516 1.00 18.99 C ATOM 1216 O PRO A 121 -36.815 143.243 0.491 1.00 20.16 O ATOM 1217 CB PRO A 121 -35.809 144.658 3.325 1.00 24.91 C ATOM 1218 CG PRO A 121 -34.422 144.193 3.029 1.00 19.87 C ATOM 1219 CD PRO A 121 -34.418 142.696 3.157 1.00 17.05 C ATOM 1220 N LEU A 122 -38.394 144.511 1.510 1.00 18.47 N ATOM 1221 CA LEU A 122 -39.181 144.793 0.315 1.00 19.72 C ATOM 1222 C LEU A 122 -39.145 146.270 -0.066 1.00 26.01 C ATOM 1223 O LEU A 122 -40.076 146.769 -0.700 1.00 23.50 O ATOM 1224 CB LEU A 122 -40.633 144.347 0.517 1.00 20.20 C ATOM 1225 CG LEU A 122 -40.834 142.840 0.627 1.00 21.34 C ATOM 1226 CD1 LEU A 122 -42.289 142.520 1.027 1.00 25.94 C ATOM 1227 CD2 LEU A 122 -40.467 142.166 -0.680 1.00 22.77 C ATOM 1228 H LEU A 122 -38.693 144.942 2.408 1.00 0.00 H ATOM 1229 N ASN A 123 -38.079 146.984 0.297 1.00 18.52 N ATOM 1230 CA ASN A 123 -38.017 148.427 0.089 1.00 21.24 C ATOM 1231 C ASN A 123 -36.944 148.856 -0.905 1.00 22.16 C ATOM 1232 O ASN A 123 -36.661 150.053 -1.014 1.00 22.71 O ATOM 1233 CB ASN A 123 -37.788 149.127 1.423 1.00 27.68 C ATOM 1234 CG ASN A 123 -36.475 148.749 2.060 1.00 29.46 C ATOM 1235 OD1 ASN A 123 -35.829 147.760 1.676 1.00 29.97 O ATOM 1236 ND2 ASN A 123 -36.070 149.523 3.057 1.00 35.45 N ATOM 1237 HD22 ASN A 123 -36.643 150.342 3.346 1.00 0.00 H ATOM 1238 HD21 ASN A 123 -35.179 149.312 3.551 1.00 0.00 H ATOM 1239 H ASN A 123 -37.272 146.500 0.739 1.00 0.00 H ATOM 1240 N LYS A 124 -36.337 147.922 -1.632 1.00 18.21 N ATOM 1241 CA LYS A 124 -35.365 148.261 -2.675 1.00 16.28 C ATOM 1242 C LYS A 124 -35.932 147.787 -4.000 1.00 19.69 C ATOM 1243 O LYS A 124 -35.910 146.578 -4.275 1.00 20.42 O ATOM 1244 CB LYS A 124 -34.007 147.603 -2.409 1.00 18.52 C ATOM 1245 CG LYS A 124 -33.309 148.089 -1.143 1.00 20.19 C ATOM 1246 CD LYS A 124 -32.939 149.567 -1.252 1.00 26.07 C ATOM 1247 CE LYS A 124 -32.732 150.191 0.120 1.00 37.02 C ATOM 1248 NZ LYS A 124 -31.524 149.678 0.793 1.00 43.07 N ATOM 1249 HZ1 LYS A 124 -31.608 148.649 0.916 1.00 0.00 H ATOM 1250 HZ2 LYS A 124 -30.688 149.892 0.212 1.00 0.00 H ATOM 1251 HZ3 LYS A 124 -31.427 150.133 1.723 1.00 0.00 H ATOM 1252 H LYS A 124 -36.559 146.921 -1.455 1.00 0.00 H ATOM 1253 N PRO A 125 -36.443 148.691 -4.848 1.00 19.66 N ATOM 1254 CA PRO A 125 -37.149 148.254 -6.070 1.00 21.44 C ATOM 1255 C PRO A 125 -36.457 147.164 -6.875 1.00 20.29 C ATOM 1256 O PRO A 125 -37.112 146.193 -7.264 1.00 20.31 O ATOM 1257 CB PRO A 125 -37.268 149.569 -6.853 1.00 24.09 C ATOM 1258 CG PRO A 125 -37.509 150.576 -5.759 1.00 22.89 C ATOM 1259 CD PRO A 125 -36.549 150.147 -4.649 1.00 23.47 C ATOM 1260 N LEU A 126 -35.149 147.278 -7.127 1.00 17.24 N ATOM 1261 CA LEU A 126 -34.485 146.268 -7.950 1.00 17.74 C ATOM 1262 C LEU A 126 -34.466 144.912 -7.256 1.00 18.90 C ATOM 1263 O LEU A 126 -34.581 143.867 -7.914 1.00 17.94 O ATOM 1264 CB LEU A 126 -33.062 146.709 -8.286 1.00 21.05 C ATOM 1265 CG LEU A 126 -32.875 147.858 -9.268 1.00 19.95 C ATOM 1266 CD1 LEU A 126 -31.389 147.875 -9.683 1.00 22.42 C ATOM 1267 CD2 LEU A 126 -33.765 147.732 -10.488 1.00 29.45 C ATOM 1268 H LEU A 126 -34.608 148.078 -6.741 1.00 0.00 H ATOM 1269 N LEU A 127 -34.313 144.909 -5.929 1.00 14.50 N ATOM 1270 CA LEU A 127 -34.338 143.645 -5.203 1.00 13.77 C ATOM 1271 C LEU A 127 -35.744 143.068 -5.214 1.00 16.03 C ATOM 1272 O LEU A 127 -35.928 141.866 -5.404 1.00 16.48 O ATOM 1273 CB LEU A 127 -33.832 143.841 -3.773 1.00 15.60 C ATOM 1274 CG LEU A 127 -33.881 142.615 -2.847 1.00 15.37 C ATOM 1275 CD1 LEU A 127 -33.162 141.388 -3.415 1.00 15.48 C ATOM 1276 CD2 LEU A 127 -33.307 142.985 -1.474 1.00 17.70 C ATOM 1277 H LEU A 127 -34.177 145.804 -5.416 1.00 0.00 H ATOM 1278 N THR A 128 -36.749 143.917 -5.038 1.00 17.76 N ATOM 1279 CA THR A 128 -38.124 143.414 -5.076 1.00 17.27 C ATOM 1280 C THR A 128 -38.455 142.783 -6.425 1.00 20.41 C ATOM 1281 O THR A 128 -39.078 141.703 -6.499 1.00 21.92 O ATOM 1282 CB THR A 128 -39.053 144.565 -4.737 1.00 15.89 C ATOM 1283 OG1 THR A 128 -38.632 145.144 -3.494 1.00 19.72 O ATOM 1284 CG2 THR A 128 -40.525 144.103 -4.666 1.00 19.66 C ATOM 1285 HG1 THR A 128 -39.231 145.897 -3.262 1.00 0.00 H ATOM 1286 H THR A 128 -36.562 144.927 -4.875 1.00 0.00 H ATOM 1287 N GLU A 129 -38.047 143.443 -7.513 1.00 22.21 N ATOM 1288 CA GLU A 129 -38.278 142.877 -8.833 1.00 21.65 C ATOM 1289 C GLU A 129 -37.567 141.547 -8.976 1.00 26.20 C ATOM 1290 O GLU A 129 -38.115 140.600 -9.547 1.00 24.95 O ATOM 1291 CB GLU A 129 -37.815 143.848 -9.918 1.00 22.11 C ATOM 1292 CG GLU A 129 -38.644 145.116 -9.960 1.00 25.92 C ATOM 1293 CD GLU A 129 -38.574 145.795 -11.305 1.00 34.95 C ATOM 1294 OE1 GLU A 129 -37.782 145.333 -12.153 1.00 37.73 O ATOM 1295 OE2 GLU A 129 -39.307 146.786 -11.512 1.00 37.32 O ATOM 1296 H GLU A 129 -37.565 144.360 -7.416 1.00 0.00 H ATOM 1297 N GLU A 130 -36.342 141.453 -8.456 1.00 21.75 N ATOM 1298 CA GLU A 130 -35.631 140.183 -8.536 1.00 19.09 C ATOM 1299 C GLU A 130 -36.331 139.097 -7.718 1.00 19.33 C ATOM 1300 O GLU A 130 -36.440 137.947 -8.160 1.00 23.80 O ATOM 1301 CB GLU A 130 -34.189 140.397 -8.073 1.00 18.29 C ATOM 1302 CG GLU A 130 -33.189 139.456 -8.667 1.00 28.10 C ATOM 1303 CD GLU A 130 -33.068 139.559 -10.172 1.00 24.79 C ATOM 1304 OE1 GLU A 130 -33.398 140.613 -10.775 1.00 26.23 O ATOM 1305 OE2 GLU A 130 -32.609 138.565 -10.750 1.00 29.95 O ATOM 1306 H GLU A 130 -35.900 142.276 -7.999 1.00 0.00 H ATOM 1307 N LEU A 131 -36.845 139.455 -6.541 1.00 18.08 N ATOM 1308 CA LEU A 131 -37.524 138.496 -5.681 1.00 16.50 C ATOM 1309 C LEU A 131 -38.732 137.882 -6.366 1.00 23.07 C ATOM 1310 O LEU A 131 -39.087 136.733 -6.071 1.00 24.98 O ATOM 1311 CB LEU A 131 -37.959 139.181 -4.383 1.00 20.98 C ATOM 1312 CG LEU A 131 -36.848 139.410 -3.369 1.00 23.57 C ATOM 1313 CD1 LEU A 131 -37.310 140.388 -2.312 1.00 18.04 C ATOM 1314 CD2 LEU A 131 -36.413 138.079 -2.751 1.00 21.21 C ATOM 1315 H LEU A 131 -36.759 140.444 -6.229 1.00 0.00 H ATOM 1316 N ALA A 132 -39.393 138.634 -7.257 1.00 21.98 N ATOM 1317 CA ALA A 132 -40.568 138.073 -7.930 1.00 25.60 C ATOM 1318 C ALA A 132 -40.247 136.791 -8.696 1.00 30.87 C ATOM 1319 O ALA A 132 -41.137 135.951 -8.894 1.00 33.39 O ATOM 1320 CB ALA A 132 -41.185 139.104 -8.875 1.00 30.86 C ATOM 1321 H ALA A 132 -39.077 139.602 -7.468 1.00 0.00 H ATOM 1322 N LYS A 133 -38.993 136.609 -9.125 1.00 32.09 N ATOM 1323 CA LYS A 133 -38.634 135.403 -9.869 1.00 34.41 C ATOM 1324 C LYS A 133 -38.744 134.135 -9.036 1.00 34.32 C ATOM 1325 O LYS A 133 -38.899 133.049 -9.604 1.00 36.80 O ATOM 1326 CB LYS A 133 -37.206 135.501 -10.412 1.00 29.92 C ATOM 1327 CG LYS A 133 -36.951 136.682 -11.335 1.00 39.19 C ATOM 1328 CD LYS A 133 -35.497 136.685 -11.790 1.00 41.48 C ATOM 1329 CE LYS A 133 -35.209 137.818 -12.749 1.00 50.57 C ATOM 1330 NZ LYS A 133 -33.773 137.834 -13.133 1.00 52.31 N ATOM 1331 HZ1 LYS A 133 -33.189 137.959 -12.281 1.00 0.00 H ATOM 1332 HZ2 LYS A 133 -33.529 136.934 -13.594 1.00 0.00 H ATOM 1333 HZ3 LYS A 133 -33.600 138.620 -13.791 1.00 0.00 H ATOM 1334 H LYS A 133 -38.269 137.330 -8.928 1.00 0.00 H ATOM 1335 N SER A 134 -38.653 134.229 -7.716 1.00 30.63 N ATOM 1336 CA SER A 134 -38.624 133.041 -6.881 1.00 29.95 C ATOM 1337 C SER A 134 -39.876 132.866 -6.037 1.00 31.86 C ATOM 1338 O SER A 134 -39.935 131.930 -5.238 1.00 33.88 O ATOM 1339 CB SER A 134 -37.388 133.056 -5.974 1.00 28.75 C ATOM 1340 OG SER A 134 -37.300 134.285 -5.266 1.00 25.69 O ATOM 1341 HG SER A 134 -37.233 135.032 -5.912 1.00 0.00 H ATOM 1342 H SER A 134 -38.602 135.168 -7.272 1.00 0.00 H ATOM 1343 N GLY A 135 -40.874 133.719 -6.179 1.00 30.03 N ATOM 1344 CA GLY A 135 -42.122 133.491 -5.490 1.00 29.39 C ATOM 1345 C GLY A 135 -42.861 134.787 -5.246 1.00 25.00 C ATOM 1346 O GLY A 135 -42.521 135.837 -5.785 1.00 28.34 O ATOM 1347 H GLY A 135 -40.761 134.555 -6.787 1.00 0.00 H ATOM 1348 N SER A 136 -43.891 134.683 -4.415 1.00 29.61 N ATOM 1349 CA SER A 136 -44.716 135.842 -4.122 1.00 31.34 C ATOM 1350 C SER A 136 -43.919 136.871 -3.330 1.00 33.70 C ATOM 1351 O SER A 136 -42.974 136.540 -2.606 1.00 36.79 O ATOM 1352 CB SER A 136 -45.964 135.428 -3.342 1.00 40.69 C ATOM 1353 OG SER A 136 -45.603 134.810 -2.119 1.00 41.92 O ATOM 1354 HG SER A 136 -46.422 134.549 -1.628 1.00 0.00 H ATOM 1355 H SER A 136 -44.108 133.768 -3.972 1.00 0.00 H ATOM 1356 N THR A 137 -44.308 138.130 -3.478 1.00 27.56 N ATOM 1357 CA THR A 137 -43.666 139.208 -2.750 1.00 24.05 C ATOM 1358 C THR A 137 -44.726 140.055 -2.058 1.00 32.97 C ATOM 1359 O THR A 137 -45.910 139.981 -2.396 1.00 34.90 O ATOM 1360 CB THR A 137 -42.821 140.081 -3.680 1.00 28.49 C ATOM 1361 OG1 THR A 137 -43.614 140.483 -4.803 1.00 29.82 O ATOM 1362 CG2 THR A 137 -41.620 139.299 -4.184 1.00 24.79 C ATOM 1363 OXT THR A 137 -44.435 140.819 -1.143 1.00 36.62 O ATOM 1364 HG1 THR A 137 -43.923 139.680 -5.292 1.00 0.00 H ATOM 1365 H THR A 137 -45.089 138.349 -4.129 1.00 0.00 H TER 1366 THR A 137 HETATM 1367 O HOH 1 -23.399 136.810 -12.777 1.00 44.26 O HETATM 1368 O HOH 2 0.876 117.849 15.124 1.00 43.09 O HETATM 1369 O HOH 3 -32.105 121.113 4.782 1.00 35.06 O HETATM 1370 O HOH 4 -20.846 125.688 -10.510 1.00 40.87 O HETATM 1371 O HOH 5 -18.347 138.511 10.569 1.00 54.63 O HETATM 1372 O HOH 6 -25.633 145.189 -2.660 1.00 22.16 O HETATM 1373 O HOH 7 -21.523 123.054 12.911 1.00 37.60 O HETATM 1374 O HOH 8 -40.142 131.390 -2.480 1.00 31.68 O HETATM 1375 O HOH 9 -3.371 113.856 15.189 1.00 69.29 O HETATM 1376 O HOH 10 -47.685 138.421 -3.192 1.00 34.75 O HETATM 1377 O HOH 11 -41.207 126.303 -10.300 1.00 52.81 O HETATM 1378 O HOH 12 -38.225 126.332 3.269 1.00 40.17 O HETATM 1379 O HOH 13 -14.551 127.561 11.419 1.00 37.67 O HETATM 1380 O HOH 14 -6.323 124.855 1.398 1.00 44.09 O HETATM 1381 O HOH 15 -18.861 143.858 0.404 1.00 48.33 O HETATM 1382 O HOH 16 -25.483 124.683 -7.748 1.00 38.12 O HETATM 1383 O HOH 17 -12.738 134.748 -4.843 1.00 49.50 O HETATM 1384 O HOH 18 -25.844 124.598 6.244 1.00 41.15 O HETATM 1385 O HOH 19 -16.608 139.902 -9.961 1.00 37.93 O HETATM 1386 O HOH 20 -35.693 135.628 -6.770 1.00 26.67 O HETATM 1387 O HOH 21 -16.187 111.587 -1.529 1.00 29.40 O HETATM 1388 O HOH 22 -35.306 144.633 -12.481 1.00 33.01 O HETATM 1389 O HOH 23 -27.381 150.131 -5.818 1.00 40.94 O HETATM 1390 O HOH 24 -33.284 147.504 2.136 1.00 33.21 O HETATM 1391 O HOH 25 -14.439 128.742 -7.258 1.00 37.71 O HETATM 1392 O HOH 26 -4.889 112.793 0.631 1.00 21.14 O HETATM 1393 O HOH 27 -24.418 118.885 -3.046 1.00 27.06 O HETATM 1394 O HOH 28 -29.702 115.293 -3.092 1.00 53.04 O HETATM 1395 O HOH 29 -36.286 152.460 -2.021 1.00 41.32 O HETATM 1396 O HOH 30 -33.419 135.084 -8.457 1.00 36.88 O HETATM 1397 O HOH 31 -9.102 136.532 1.493 1.00 46.44 O HETATM 1398 O HOH 32 -26.769 114.970 -2.287 1.00 43.65 O HETATM 1399 O HOH 33 -27.123 130.381 -7.587 1.00 23.15 O HETATM 1400 O HOH 34 -9.345 114.103 6.561 1.00 30.13 O HETATM 1401 O HOH 35 -24.544 121.622 1.852 1.00 20.79 O HETATM 1402 O HOH 36 -17.441 131.651 10.226 1.00 44.18 O HETATM 1403 O HOH 37 -36.825 121.240 -3.439 1.00 37.70 O HETATM 1404 O HOH 38 -38.932 146.582 3.732 1.00 25.66 O HETATM 1405 O HOH 39 -30.607 129.189 8.924 1.00 42.79 O HETATM 1406 O HOH 40 -20.663 122.211 -4.189 1.00 29.46 O HETATM 1407 O HOH 41 -35.123 121.118 -6.017 1.00 33.13 O HETATM 1408 O HOH 42 -38.773 147.598 7.569 1.00 48.95 O HETATM 1409 O HOH 43 -28.218 139.894 -9.556 1.00 27.96 O HETATM 1410 O HOH 44 -5.684 132.465 8.040 1.00 51.17 O HETATM 1411 O HOH 45 -31.781 119.187 3.325 1.00 53.96 O HETATM 1412 O HOH 46 -46.045 141.545 -5.352 1.00 27.38 O HETATM 1413 O HOH 47 -37.799 130.346 -1.425 1.00 24.49 O HETATM 1414 O HOH 48 -14.557 123.941 -11.061 1.00 61.61 O HETATM 1415 O HOH 49 -43.838 136.224 -9.019 1.00 52.69 O HETATM 1416 O HOH 50 -0.152 117.331 2.490 1.00 31.58 O HETATM 1417 O HOH 51 -17.095 130.823 -8.378 1.00 35.95 O HETATM 1418 O HOH 52 -31.867 144.067 5.930 1.00 31.81 O HETATM 1419 O HOH 53 -27.812 145.902 -6.717 1.00 38.07 O HETATM 1420 O HOH 54 -33.611 149.567 -6.187 1.00 19.13 O HETATM 1421 O HOH 55 -44.001 138.420 3.505 1.00 39.07 O HETATM 1422 O HOH 56 -27.706 149.281 3.947 1.00 40.34 O HETATM 1423 O HOH 57 -11.293 130.730 -3.021 1.00 38.92 O HETATM 1424 O HOH 58 -32.291 147.068 4.407 1.00 24.82 O HETATM 1425 O HOH 59 -12.594 138.571 0.256 1.00 34.88 O HETATM 1426 O HOH 60 -26.338 144.080 0.961 1.00 17.67 O HETATM 1427 O HOH 61 -39.505 147.755 -3.456 1.00 30.78 O HETATM 1428 O HOH 62 -23.562 133.668 -12.918 1.00 35.48 O HETATM 1429 O HOH 63 -12.722 133.776 8.131 1.00 31.93 O HETATM 1430 O HOH 64 -33.821 143.514 -10.547 1.00 28.47 O HETATM 1431 O HOH 65 -24.640 138.388 -8.277 1.00 26.87 O HETATM 1432 O HOH 66 -23.150 116.094 5.802 1.00 32.95 O HETATM 1433 O HOH 67 -21.966 141.334 -8.265 1.00 40.32 O HETATM 1434 O HOH 68 -7.161 113.403 -7.461 1.00 36.77 O HETATM 1435 O HOH 69 -44.172 138.387 -6.526 1.00 36.13 O HETATM 1436 O HOH 70 -39.483 138.058 12.077 1.00 63.34 O HETATM 1437 O HOH 71 -4.836 127.554 2.497 1.00 43.28 O HETATM 1438 O HOH 72 -40.883 137.757 6.751 1.00 32.63 O HETATM 1439 O HOH 73 -0.043 111.200 -1.594 1.00 31.03 O HETATM 1440 O HOH 74 -29.231 124.607 -9.810 1.00 32.69 O HETATM 1441 O HOH 75 -18.772 133.561 -8.339 1.00 33.35 O HETATM 1442 O HOH 76 -11.175 124.288 -10.613 1.00 42.32 O HETATM 1443 O HOH 77 -20.471 131.468 -11.509 1.00 34.67 O HETATM 1444 O HOH 78 1.760 111.975 4.594 1.00 66.75 O HETATM 1445 O HOH 79 -29.047 151.044 -2.085 1.00 36.60 O HETATM 1446 O HOH 80 -23.013 141.650 9.818 1.00 44.40 O HETATM 1447 O HOH 81 -36.423 145.003 -1.718 1.00 17.58 O HETATM 1448 O HOH 82 -3.826 120.718 0.275 1.00 39.88 O HETATM 1449 O HOH 83 -24.860 114.630 6.774 1.00 46.60 O HETATM 1450 O HOH 84 -43.918 137.509 15.026 1.00 57.37 O HETATM 1451 O HOH 85 -48.177 134.033 -1.143 1.00 43.93 O HETATM 1452 O HOH 86 -15.341 141.799 -1.004 1.00 47.02 O HETATM 1453 O HOH 87 -39.938 140.333 -11.748 1.00 48.01 O HETATM 1454 O HOH 88 -42.653 135.307 3.343 1.00 32.27 O HETATM 1455 O HOH 89 -16.452 144.256 -4.088 1.00 53.70 O HETATM 1456 O HOH 90 -45.472 145.886 15.260 1.00 37.28 O HETATM 1457 O HOH 91 -38.916 130.405 2.613 1.00 33.36 O HETATM 1458 O HOH 92 -28.406 116.217 1.478 1.00 30.34 O HETATM 1459 O HOH 93 -29.617 119.612 -4.586 1.00 42.75 O HETATM 1460 O HOH 94 1.854 115.420 5.512 1.00 39.72 O HETATM 1461 O HOH 95 -22.655 125.203 11.576 1.00 41.30 O HETATM 1462 O HOH 96 -30.902 118.794 -2.745 1.00 46.74 O HETATM 1463 O HOH 97 -21.756 109.667 0.871 1.00 43.36 O HETATM 1464 O HOH 98 -16.374 143.182 0.782 1.00 43.06 O HETATM 1465 O HOH 99 -5.652 128.165 0.043 1.00 57.08 O HETATM 1466 O HOH 100 -10.596 135.901 9.024 1.00 28.42 O HETATM 1467 O HOH 101 -33.506 128.210 8.323 1.00 31.89 O HETATM 1468 O HOH 102 -17.115 135.507 -8.616 1.00 34.37 O HETATM 1469 O HOH 103 -27.409 113.999 0.251 1.00 52.82 O HETATM 1470 O HOH 104 -29.840 151.025 2.785 1.00 61.29 O HETATM 1471 O HOH 105 -24.096 118.275 7.665 1.00 41.28 O HETATM 1472 O HOH 106 -32.837 136.516 7.927 1.00 28.77 O HETATM 1473 O HOH 107 -34.580 121.983 -9.131 1.00 36.50 O HETATM 1474 O HOH 108 -23.944 120.926 7.222 1.00 35.41 O HETATM 1475 O HOH 109 -12.389 128.443 -5.403 1.00 35.06 O HETATM 1476 O HOH 110 -32.956 133.544 -10.843 1.00 36.30 O HETATM 1477 O HOH 111 -18.655 139.561 5.304 1.00 25.37 O HETATM 1478 O HOH 112 -19.258 140.218 8.756 1.00 37.73 O HETATM 1479 O HOH 113 -43.041 133.594 -1.215 1.00 50.31 O HETATM 1480 O HOH 114 -19.552 130.232 -9.328 1.00 30.14 O HETATM 1481 O HOH 115 -19.922 123.206 -10.848 1.00 39.63 O HETATM 1482 O HOH 116 -19.122 139.957 -12.031 1.00 62.50 O HETATM 1483 O HOH 117 -29.412 133.363 8.579 1.00 49.37 O HETATM 1484 O HOH 118 -30.912 151.592 -3.897 1.00 45.51 O HETATM 1485 O HOH 119 -27.990 137.375 9.559 1.00 33.48 O HETATM 1486 O HOH 120 -23.740 111.699 -1.032 1.00 37.53 O HETATM 1487 O HOH 121 -19.853 115.338 -8.990 1.00 63.72 O HETATM 1488 O HOH 122 1.964 114.356 9.720 1.00 55.19 O HETATM 1489 O HOH 123 -22.196 121.566 -5.970 1.00 59.53 O HETATM 1490 O HOH 124 -3.990 110.338 0.152 1.00 29.72 O HETATM 1491 O HOH 125 -30.406 131.330 7.453 1.00 39.06 O HETATM 1492 O HOH 126 -31.942 118.791 -0.700 1.00 49.25 O HETATM 1493 O HOH 127 -34.809 125.126 6.528 1.00 45.63 O HETATM 1494 O HOH 128 -13.947 121.772 13.785 1.00 53.27 O HETATM 1495 O HOH 129 -18.632 135.600 10.033 1.00 44.38 O HETATM 1496 O HOH 130 -3.286 118.269 -6.260 1.00 42.33 O HETATM 1497 O HOH 131 -34.522 148.028 5.437 1.00 40.97 O HETATM 1498 O HOH 132 -40.788 131.028 1.292 1.00 51.67 O HETATM 1499 O HOH 133 -21.721 152.833 -4.358 1.00 47.44 O HETATM 1500 O HOH 134 -22.474 117.623 -9.805 1.00 66.73 O HETATM 1501 O HOH 135 -8.940 137.259 4.027 1.00 48.80 O HETATM 1502 O HOH 136 -29.316 152.003 0.053 1.00 59.15 O HETATM 1503 O HOH 137 -22.011 143.812 -1.511 1.00 52.25 O HETATM 1504 O HOH 138 -29.917 127.276 -10.267 1.00 34.90 O HETATM 1505 O HOH 139 -10.549 133.328 9.901 1.00 41.06 O HETATM 1506 O HOH 140 -39.355 127.273 -0.758 1.00 45.61 O HETATM 1507 O HOH 141 -41.750 135.683 -12.197 1.00 68.14 O HETATM 1508 O HOH 142 -10.984 127.016 -7.980 1.00 61.96 O HETATM 1509 O HOH 143 -32.146 134.791 -13.331 1.00 58.33 O HETATM 1510 O HOH 144 -31.208 116.587 0.565 1.00 62.97 O HETATM 1511 O HOH 145 -25.380 123.013 8.004 1.00 42.92 O HETATM 1512 O HOH 146 -32.991 139.300 9.257 1.00 47.21 O HETATM 1513 O HOH 147 -24.099 119.402 -5.288 1.00 48.15 O HETATM 1514 O HOH 148 -34.222 146.500 12.030 1.00 36.86 O HETATM 1515 O HOH 149 -1.632 105.582 13.533 1.00 53.85 O HETATM 1516 O HOH 150 -3.657 120.990 4.254 1.00 58.33 O HETATM 1517 O HOH 151 -46.709 143.599 13.565 1.00 54.49 O HETATM 1518 O HOH 152 -30.788 143.123 -10.366 1.00 39.68 O HETATM 1519 O HOH 153 -24.860 124.554 10.365 1.00 41.91 O HETATM 1520 O HOH 154 -31.063 120.430 -9.803 1.00 62.60 O HETATM 1521 O HOH 155 -37.005 147.185 5.729 1.00 36.18 O HETATM 1522 O HOH 156 -16.180 116.941 -5.209 1.00 47.69 O HETATM 1523 O HOH 157 -21.642 118.194 12.408 1.00 54.01 O HETATM 1524 O HOH 158 -27.775 116.772 5.052 1.00 61.61 O HETATM 1525 O HOH 159 -9.759 115.873 -8.459 1.00 50.50 O HETATM 1526 O HOH 160 -26.308 131.911 -13.076 1.00 50.26 O HETATM 1527 O HOH 161 -44.015 137.710 6.486 1.00 40.95 O HETATM 1528 O HOH 162 -27.281 135.742 12.105 1.00 65.06 O HETATM 1529 O HOH 163 -1.887 129.597 5.967 1.00 57.77 O HETATM 1530 O HOH 164 -42.787 132.569 -9.930 1.00 61.50 O HETATM 1531 O HOH 165 -4.512 117.295 11.293 1.00 56.48 O HETATM 1532 O HOH 166 -7.998 136.485 8.624 1.00 39.00 O HETATM 1533 O HOH 167 -25.383 148.404 -4.597 1.00 45.67 O HETATM 1534 O HOH 168 -30.217 139.881 10.154 1.00 61.16 O HETATM 1535 O HOH 169 -14.794 126.564 13.973 1.00 50.36 O HETATM 1536 O HOH 170 -34.279 129.706 -13.824 1.00 47.28 O HETATM 1537 O HOH 171 -24.091 145.264 -0.370 1.00 23.84 O HETATM 1538 O HOH 172 -19.718 129.325 12.892 1.00 45.99 O HETATM 1539 O HOH 173 -27.373 128.652 -9.793 1.00 27.63 O HETATM 1540 O HOH 174 -13.821 133.827 10.685 1.00 55.37 O HETATM 1541 O HOH 175 2.088 117.371 3.773 1.00 46.68 O HETATM 1542 O HOH 176 -30.284 135.590 8.637 1.00 52.37 O HETATM 1543 O HOH 177 -29.307 141.754 -11.342 1.00 53.35 O HETATM 1544 O HOH 178 -26.554 129.412 -12.145 1.00 32.71 O HETATM 1545 O HOH 179 -31.554 152.635 3.927 1.00 65.25 O HETATM 1546 O HOH 180 -26.539 137.677 -10.328 1.00 38.23 O HETATM 1547 O HOH 181 -19.406 127.819 -10.847 1.00 34.36 O HETATM 1548 O HOH 182 -29.415 123.653 9.512 1.00 62.86 O HETATM 1549 O HOH 183 -25.663 136.830 -12.720 1.00 58.74 O HETATM 1550 O HOH 184 -30.527 129.117 11.257 1.00 44.84 O HETATM 1551 O HOH 185 -40.267 129.635 4.875 1.00 40.72 O HETATM 1552 O HOH 186 -16.423 128.277 -10.641 1.00 38.82 O HETATM 1553 O HOH 187 -26.514 126.102 -9.857 1.00 32.54 O HETATM 1554 O HOH 188 -16.663 134.176 10.643 1.00 38.54 O HETATM 1555 O HOH 189 -34.924 132.033 -12.348 1.00 51.07 O HETATM 1556 O HOH 190 -12.319 130.972 14.049 1.00 59.32 O HETATM 1557 O HOH 191 -22.795 126.727 -12.426 1.00 40.42 O HETATM 1558 O HOH 192 -28.985 127.587 -13.450 1.00 57.67 O HETATM 1559 O HOH 193 -2.069 119.804 2.986 1.00 46.00 O HETATM 1560 O HOH 194 -25.353 127.022 -12.479 1.00 50.14 O HETATM 1561 O HOH 195 -7.990 134.939 13.009 1.00 57.89 O HETATM 1562 O HOH 196 -14.313 109.140 11.006 1.00 31.48 O HETATM 1563 O HOH 197 -11.163 112.544 6.396 1.00 28.91 O HETATM 1564 O HOH 198 -16.373 115.518 8.883 1.00 24.67 O HETATM 1565 O HOH 199 -11.192 121.410 5.189 1.00 25.51 O HETATM 1566 O HOH 200 -17.529 122.145 15.047 1.00 39.83 O HETATM 1567 O HOH 201 -13.283 120.180 16.835 1.00 53.51 O HETATM 1568 O HOH 202 -16.036 119.987 15.544 1.00 48.81 O HETATM 1569 O HOH 203 -18.778 110.646 2.916 1.00 40.83 O HETATM 1570 O HOH 204 -18.373 116.147 10.743 1.00 27.50 O HETATM 1571 O HOH 205 -11.446 115.150 14.391 1.00 35.99 O HETATM 1572 O HOH 206 -18.142 114.502 12.733 1.00 44.19 O HETATM 1573 C ACE A 207 -13.359 110.713 7.932 1.00 0.18 C HETATM 1574 O ACE A 207 -13.228 111.937 7.941 1.00 -0.40 O HETATM 1575 CH3 ACE A 207 -12.237 109.766 8.232 1.00 0.03 C HETATM 1576 H1 ACE A 207 -12.602 108.731 8.161 1.00 0.05 H HETATM 1577 H2 ACE A 207 -11.861 109.953 9.249 1.00 0.05 H HETATM 1578 H3 ACE A 207 -11.424 109.919 7.507 1.00 0.05 H HETATM 1579 N ACE A 207 -14.534 110.148 7.680 1.00 -0.27 N HETATM 1580 CA ACE A 207 -15.653 111.037 7.352 1.00 0.13 C HETATM 1581 C ACE A 207 -16.116 111.936 8.501 1.00 0.20 C HETATM 1582 O ACE A 207 -16.754 112.958 8.259 1.00 -0.39 O HETATM 1583 N ACE A 207 -15.741 111.609 9.737 1.00 -0.26 N HETATM 1584 CA ACE A 207 -16.064 112.449 10.888 1.00 0.16 C HETATM 1585 C ACE A 207 -14.942 113.411 11.262 1.00 0.21 C HETATM 1586 O ACE A 207 -15.022 114.052 12.311 1.00 -0.39 O HETATM 1587 N ACE A 207 -13.901 113.525 10.438 1.00 -0.26 N HETATM 1588 CA ACE A 207 -12.776 114.401 10.757 1.00 0.13 C HETATM 1589 C ACE A 207 -13.223 115.852 10.909 1.00 0.20 C HETATM 1590 O ACE A 207 -13.942 116.381 10.058 1.00 -0.39 O HETATM 1591 N ACE A 207 -12.770 116.494 11.983 1.00 -0.26 N HETATM 1592 CA ACE A 207 -13.048 117.907 12.250 1.00 0.13 C HETATM 1593 C ACE A 207 -11.765 118.658 12.576 1.00 0.20 C HETATM 1594 O ACE A 207 -10.814 118.073 13.098 1.00 -0.39 O HETATM 1595 N ACE A 207 -11.756 119.961 12.306 1.00 -0.27 N HETATM 1596 CA ACE A 207 -10.638 120.797 12.662 1.00 0.09 C HETATM 1597 C ACE A 207 -10.429 120.913 14.167 1.00 0.06 C HETATM 1598 O ACE A 207 -11.022 120.308 15.066 1.00 -0.57 O HETATM 1599 OXT ACE A 207 -9.627 121.634 14.770 1.00 -0.57 O HETATM 1600 CB ACE A 207 -10.780 122.221 12.106 1.00 -0.02 C HETATM 1601 CG ACE A 207 -10.836 122.208 10.594 1.00 -0.05 C HETATM 1602 CD ACE A 207 -9.496 122.579 9.996 1.00 -0.03 C HETATM 1603 CE ACE A 207 -9.699 123.022 8.548 1.00 0.03 C HETATM 1604 NZ ACE A 207 -8.507 123.275 7.780 1.00 -0.29 N HETATM 1605 CAN ACE A 207 -8.140 122.464 6.719 1.00 0.18 C HETATM 1606 OAD ACE A 207 -8.824 121.472 6.417 1.00 -0.40 O HETATM 1607 CAJ ACE A 207 -6.871 122.804 5.958 1.00 0.04 C HETATM 1608 CAF ACE A 207 -6.454 124.242 6.133 1.00 -0.04 C HETATM 1609 CAA ACE A 207 -5.414 124.610 5.111 1.00 -0.06 C HETATM 1610 H48 ACE A 207 -5.119 125.661 5.250 1.00 0.02 H HETATM 1611 H49 ACE A 207 -5.829 124.476 4.101 1.00 0.02 H HETATM 1612 H50 ACE A 207 -4.533 123.963 5.234 1.00 0.02 H HETATM 1613 H51 ACE A 207 -7.332 124.892 6.008 1.00 0.03 H HETATM 1614 H52 ACE A 207 -6.037 124.379 7.141 1.00 0.03 H HETATM 1615 H53 ACE A 207 -6.059 122.156 6.320 1.00 0.05 H HETATM 1616 H54 ACE A 207 -7.041 122.615 4.888 1.00 0.05 H HETATM 1617 H47 ACE A 207 -7.930 124.056 8.019 1.00 0.18 H HETATM 1618 H43 ACE A 207 -10.290 123.949 8.562 1.00 0.05 H HETATM 1619 H44 ACE A 207 -10.267 122.233 8.034 1.00 0.05 H HETATM 1620 H41 ACE A 207 -9.050 123.402 10.574 1.00 0.03 H HETATM 1621 H42 ACE A 207 -8.826 121.707 10.024 1.00 0.03 H HETATM 1622 H45 ACE A 207 -11.593 122.931 10.256 1.00 0.03 H HETATM 1623 H46 ACE A 207 -11.115 121.200 10.253 1.00 0.03 H HETATM 1624 H39 ACE A 207 -9.917 122.821 12.429 1.00 0.03 H HETATM 1625 H40 ACE A 207 -11.705 122.669 12.497 1.00 0.03 H HETATM 1626 H38 ACE A 207 -9.737 120.342 12.225 1.00 0.07 H HETATM 1627 H37 ACE A 207 -12.544 120.370 11.845 1.00 0.19 H HETATM 1628 CB ACE A 207 -14.013 118.065 13.419 1.00 -0.01 C HETATM 1629 CG ACE A 207 -15.118 117.050 13.470 1.00 -0.02 C HETATM 1630 CD ACE A 207 -16.287 117.525 12.652 1.00 0.06 C HETATM 1631 NE ACE A 207 -16.641 118.913 12.945 1.00 -0.27 N HETATM 1632 CZ ACE A 207 -17.534 119.602 12.245 1.00 0.29 C HETATM 1633 NH1 ACE A 207 -18.150 119.018 11.227 1.00 -0.28 N HETATM 1634 H33 ACE A 207 -18.845 119.542 10.676 1.00 0.26 H HETATM 1635 H34 ACE A 207 -17.934 118.040 10.987 1.00 0.26 H HETATM 1636 NH2 ACE A 207 -17.815 120.861 12.557 1.00 -0.28 N HETATM 1637 H35 ACE A 207 -17.336 121.315 13.348 1.00 0.26 H HETATM 1638 H36 ACE A 207 -18.512 121.384 12.008 1.00 0.26 H HETATM 1639 H32 ACE A 207 -16.174 119.380 13.735 1.00 0.26 H HETATM 1640 H30 ACE A 207 -17.155 116.885 12.870 1.00 0.07 H HETATM 1641 H31 ACE A 207 -16.029 117.443 11.586 1.00 0.07 H HETATM 1642 H28 ACE A 207 -15.436 116.909 14.514 1.00 0.03 H HETATM 1643 H29 ACE A 207 -14.754 116.094 13.065 1.00 0.03 H HETATM 1644 H26 ACE A 207 -14.470 119.064 13.352 1.00 0.03 H HETATM 1645 H27 ACE A 207 -13.435 117.988 14.352 1.00 0.03 H HETATM 1646 H25 ACE A 207 -13.502 118.349 11.351 1.00 0.08 H HETATM 1647 H24 ACE A 207 -12.212 115.987 12.640 1.00 0.19 H HETATM 1648 CB ACE A 207 -11.721 114.310 9.657 1.00 -0.02 C HETATM 1649 H21 ACE A 207 -10.877 114.971 9.903 1.00 0.03 H HETATM 1650 H22 ACE A 207 -12.163 114.620 8.699 1.00 0.03 H HETATM 1651 H23 ACE A 207 -11.363 113.273 9.577 1.00 0.03 H HETATM 1652 H20 ACE A 207 -12.332 114.069 11.707 1.00 0.08 H HETATM 1653 H19 ACE A 207 -13.890 113.002 9.586 1.00 0.19 H HETATM 1654 CB ACE A 207 -16.418 111.591 12.111 1.00 0.09 C HETATM 1655 OG1 ACE A 207 -15.232 110.948 12.608 1.00 -0.39 O HETATM 1656 H15 ACE A 207 -14.865 110.394 11.929 1.00 0.21 H HETATM 1657 CG2 ACE A 207 -17.459 110.538 11.739 1.00 -0.03 C HETATM 1658 H16 ACE A 207 -17.701 109.933 12.625 1.00 0.03 H HETATM 1659 H17 ACE A 207 -17.056 109.887 10.949 1.00 0.03 H HETATM 1660 H18 ACE A 207 -18.370 111.035 11.375 1.00 0.03 H HETATM 1661 H14 ACE A 207 -16.832 112.240 12.896 1.00 0.06 H HETATM 1662 H13 ACE A 207 -16.947 113.049 10.621 1.00 0.08 H HETATM 1663 H12 ACE A 207 -15.224 110.765 9.881 1.00 0.19 H HETATM 1664 CB ACE A 207 -16.807 110.207 6.798 1.00 0.00 C HETATM 1665 CG ACE A 207 -16.350 109.364 5.609 1.00 0.04 C HETATM 1666 CD ACE A 207 -17.320 108.276 5.228 1.00 0.17 C HETATM 1667 OE1 ACE A 207 -17.747 108.186 4.075 1.00 -0.40 O HETATM 1668 NE2 ACE A 207 -17.695 107.454 6.196 1.00 -0.30 N HETATM 1669 H10 ACE A 207 -18.337 106.713 6.002 1.00 0.18 H HETATM 1670 H11 ACE A 207 -17.336 107.575 7.122 1.00 0.18 H HETATM 1671 H8 ACE A 207 -15.387 108.897 5.864 1.00 0.05 H HETATM 1672 H9 ACE A 207 -16.217 110.029 4.743 1.00 0.05 H HETATM 1673 H6 ACE A 207 -17.612 110.882 6.473 1.00 0.03 H HETATM 1674 H7 ACE A 207 -17.183 109.541 7.588 1.00 0.03 H HETATM 1675 H5 ACE A 207 -15.307 111.706 6.550 1.00 0.08 H HETATM 1676 H4 ACE A 207 -14.651 109.155 7.713 1.00 0.19 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 1573 1574 1575 1579 CONECT 1574 1573 CONECT 1575 1573 1576 1577 1578 CONECT 1576 1575 CONECT 1577 1575 CONECT 1578 1575 CONECT 1579 1573 1580 1676 CONECT 1580 1579 1581 1664 1675 CONECT 1581 1580 1582 1583 CONECT 1582 1581 CONECT 1583 1581 1584 1663 CONECT 1584 1583 1585 1654 1662 CONECT 1585 1584 1586 1587 CONECT 1586 1585 CONECT 1587 1585 1588 1653 CONECT 1588 1587 1589 1648 1652 CONECT 1589 1588 1590 1591 CONECT 1590 1589 CONECT 1591 1589 1592 1647 CONECT 1592 1591 1593 1628 1646 CONECT 1593 1592 1594 1595 CONECT 1594 1593 CONECT 1595 1593 1596 1627 CONECT 1596 1595 1597 1600 1626 CONECT 1597 1596 1598 1599 CONECT 1598 1597 CONECT 1599 1597 CONECT 1600 1596 1601 1624 1625 CONECT 1601 1600 1602 1622 1623 CONECT 1602 1601 1603 1620 1621 CONECT 1603 1602 1604 1618 1619 CONECT 1604 1603 1605 1617 CONECT 1605 1604 1606 1607 CONECT 1606 1605 CONECT 1607 1605 1608 1615 1616 CONECT 1608 1607 1609 1613 1614 CONECT 1609 1608 1610 1611 1612 CONECT 1610 1609 CONECT 1611 1609 CONECT 1612 1609 CONECT 1613 1608 CONECT 1614 1608 CONECT 1615 1607 CONECT 1616 1607 CONECT 1617 1604 CONECT 1618 1603 CONECT 1619 1603 CONECT 1620 1602 CONECT 1621 1602 CONECT 1622 1601 CONECT 1623 1601 CONECT 1624 1600 CONECT 1625 1600 CONECT 1626 1596 CONECT 1627 1595 CONECT 1628 1592 1629 1644 1645 CONECT 1629 1628 1630 1642 1643 CONECT 1630 1629 1631 1640 1641 CONECT 1631 1630 1632 1639 CONECT 1632 1631 1633 1636 CONECT 1633 1632 1634 1635 CONECT 1634 1633 CONECT 1635 1633 CONECT 1636 1632 1637 1638 CONECT 1637 1636 CONECT 1638 1636 CONECT 1639 1631 CONECT 1640 1630 CONECT 1641 1630 CONECT 1642 1629 CONECT 1643 1629 CONECT 1644 1628 CONECT 1645 1628 CONECT 1646 1592 CONECT 1647 1591 CONECT 1648 1588 1649 1650 1651 CONECT 1649 1648 CONECT 1650 1648 CONECT 1651 1648 CONECT 1652 1588 CONECT 1653 1587 CONECT 1654 1584 1655 1657 1661 CONECT 1655 1654 1656 CONECT 1656 1655 CONECT 1657 1654 1658 1659 1660 CONECT 1658 1657 CONECT 1659 1657 CONECT 1660 1657 CONECT 1661 1654 CONECT 1662 1584 CONECT 1663 1583 CONECT 1664 1580 1665 1673 1674 CONECT 1665 1664 1666 1671 1672 CONECT 1666 1665 1667 1668 CONECT 1667 1666 CONECT 1668 1666 1669 1670 CONECT 1669 1668 CONECT 1670 1668 CONECT 1671 1665 CONECT 1672 1665 CONECT 1673 1664 CONECT 1674 1664 CONECT 1675 1580 CONECT 1676 1579 MASTER 0 0 0 0 0 0 0 0 1675 1 107 11 END
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Related entries of code: 6miq
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5d7e
RCSB PDB
PDBbind
140aa, >5D7E_1|Chain... at 100%
5iok
RCSB PDB
PDBbind
142aa, >5IOK_1|Chain... *
6min
RCSB PDB
PDBbind
142aa, >6MIN_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1fo0
RCSB PDB
PDBbind
8-mer
1fzj
RCSB PDB
PDBbind
8-mer
1fzm
RCSB PDB
PDBbind
8-mer
1g6r
RCSB PDB
PDBbind
8-mer
1g7q
RCSB PDB
PDBbind
8-mer
1leg
RCSB PDB
PDBbind
8-mer
1lek
RCSB PDB
PDBbind
8-mer
1nlp
RCSB PDB
PDBbind
8-mer
1nzl
RCSB PDB
PDBbind
8-mer
1nzv
RCSB PDB
PDBbind
8-mer
1obx
RCSB PDB
PDBbind
8-mer
1okx
RCSB PDB
PDBbind
8-mer
1p2g
RCSB PDB
PDBbind
8-mer
1pig
RCSB PDB
PDBbind
8-mer
1pz5
RCSB PDB
PDBbind
8-mer
1qja
RCSB PDB
PDBbind
8-mer
1qjb
RCSB PDB
PDBbind
8-mer
1qr3
RCSB PDB
PDBbind
8-mer
1sle
RCSB PDB
PDBbind
8-mer
1tps
RCSB PDB
PDBbind
8-mer
2c1n
RCSB PDB
PDBbind
8-mer
2clv
RCSB PDB
PDBbind
8-mer
2er0
RCSB PDB
PDBbind
8-mer
2er9
RCSB PDB
PDBbind
8-mer
2fo4
RCSB PDB
PDBbind
8-mer
2h6k
RCSB PDB
PDBbind
8-mer
2kbs
RCSB PDB
PDBbind
8-mer
2qbw
RCSB PDB
PDBbind
8-mer
2r03
RCSB PDB
PDBbind
8-mer
2r9b
RCSB PDB
PDBbind
8-mer
2rly
RCSB PDB
PDBbind
8-mer
2rt5
RCSB PDB
PDBbind
8-mer
2v88
RCSB PDB
PDBbind
8-mer
2w16
RCSB PDB
PDBbind
8-mer
2w3o
RCSB PDB
PDBbind
8-mer
2ynn
RCSB PDB
PDBbind
8-mer
2zpk
RCSB PDB
PDBbind
8-mer
3agm
RCSB PDB
PDBbind
8-mer
3av9
RCSB PDB
PDBbind
8-mer
3ava
RCSB PDB
PDBbind
8-mer
3avb
RCSB PDB
PDBbind
8-mer
3avf
RCSB PDB
PDBbind
8-mer
3avg
RCSB PDB
PDBbind
8-mer
3avh
RCSB PDB
PDBbind
8-mer
3avi
RCSB PDB
PDBbind
8-mer
3avj
RCSB PDB
PDBbind
8-mer
3avk
RCSB PDB
PDBbind
8-mer
3avl
RCSB PDB
PDBbind
8-mer
3avm
RCSB PDB
PDBbind
8-mer
3avn
RCSB PDB
PDBbind
8-mer
3drf
RCSB PDB
PDBbind
8-mer
3ds9
RCSB PDB
PDBbind
8-mer
3eyu
RCSB PDB
PDBbind
8-mer
3h85
RCSB PDB
PDBbind
8-mer
3i91
RCSB PDB
PDBbind
8-mer
3jvk
RCSB PDB
PDBbind
8-mer
3kze
RCSB PDB
PDBbind
8-mer
3muk
RCSB PDB
PDBbind
8-mer
3n5e
RCSB PDB
PDBbind
8-mer
3nf3
RCSB PDB
PDBbind
8-mer
3omc
RCSB PDB
PDBbind
8-mer
3omg
RCSB PDB
PDBbind
8-mer
3p9l
RCSB PDB
PDBbind
8-mer
3p9m
RCSB PDB
PDBbind
8-mer
3pab
RCSB PDB
PDBbind
8-mer
3qg6
RCSB PDB
PDBbind
8-mer
3rdv
RCSB PDB
PDBbind
8-mer
3rwh
RCSB PDB
PDBbind
8-mer
3rwj
RCSB PDB
PDBbind
8-mer
3unn
RCSB PDB
PDBbind
8-mer
3uqp
RCSB PDB
PDBbind
8-mer
3uri
RCSB PDB
PDBbind
8-mer
3uyr
RCSB PDB
PDBbind
8-mer
3zev
RCSB PDB
PDBbind
8-mer
3zvy
RCSB PDB
PDBbind
8-mer
3zyr
RCSB PDB
PDBbind
8-mer
4aa1
RCSB PDB
PDBbind
8-mer
4aph
RCSB PDB
PDBbind
8-mer
4apr
RCSB PDB
PDBbind
8-mer
4dv9
RCSB PDB
PDBbind
8-mer
4e67
RCSB PDB
PDBbind
8-mer
4eoy
RCSB PDB
PDBbind
8-mer
4ep2
RCSB PDB
PDBbind
8-mer
4eqj
RCSB PDB
PDBbind
8-mer
4ezr
RCSB PDB
PDBbind
8-mer
4fmo
RCSB PDB
PDBbind
8-mer
4fn5
RCSB PDB
PDBbind
8-mer
4gpk
RCSB PDB
PDBbind
8-mer
4gvc
RCSB PDB
PDBbind
8-mer
4gvd
RCSB PDB
PDBbind
8-mer
4gvu
RCSB PDB
PDBbind
8-mer
4h36
RCSB PDB
PDBbind
8-mer
4h75
RCSB PDB
PDBbind
8-mer
4ii9
RCSB PDB
PDBbind
8-mer
4jiz
RCSB PDB
PDBbind
8-mer
4lkl
RCSB PDB
PDBbind
8-mer
4lkm
RCSB PDB
PDBbind
8-mer
4mji
RCSB PDB
PDBbind
8-mer
4nxq
RCSB PDB
PDBbind
8-mer
4nxr
RCSB PDB
PDBbind
8-mer
4o2f
RCSB PDB
PDBbind
8-mer
4rxh
RCSB PDB
PDBbind
8-mer
4y7r
RCSB PDB
PDBbind
8-mer
4ysi
RCSB PDB
PDBbind
8-mer
5d7e
RCSB PDB
PDBbind
8-mer
5e2q
RCSB PDB
PDBbind
8-mer
5elq
RCSB PDB
PDBbind
8-mer
5em9
RCSB PDB
PDBbind
8-mer
5ema
RCSB PDB
PDBbind
8-mer
5emb
RCSB PDB
PDBbind
8-mer
5fjx
RCSB PDB
PDBbind
8-mer
5fpi
RCSB PDB
PDBbind
8-mer
5gmv
RCSB PDB
PDBbind
8-mer
5hjb
RCSB PDB
PDBbind
8-mer
5i25
RCSB PDB
PDBbind
8-mer
5iok
RCSB PDB
PDBbind
8-mer
5iql
RCSB PDB
PDBbind
8-mer
5jjm
RCSB PDB
PDBbind
8-mer
5mgx
RCSB PDB
PDBbind
8-mer
5n70
RCSB PDB
PDBbind
8-mer
5svi
RCSB PDB
PDBbind
8-mer
5sxm
RCSB PDB
PDBbind
8-mer
5t6p
RCSB PDB
PDBbind
8-mer
5t78
RCSB PDB
PDBbind
8-mer
5teg
RCSB PDB
PDBbind
8-mer
5tkj
RCSB PDB
PDBbind
8-mer
5tkk
RCSB PDB
PDBbind
8-mer
5vwi
RCSB PDB
PDBbind
8-mer
5vwk
RCSB PDB
PDBbind
8-mer
5wou
RCSB PDB
PDBbind
8-mer
5wtt
RCSB PDB
PDBbind
8-mer
5xjm
RCSB PDB
PDBbind
8-mer
5xn3
RCSB PDB
PDBbind
8-mer
5yba
RCSB PDB
PDBbind
8-mer
6cdm
RCSB PDB
PDBbind
8-mer
6cdo
RCSB PDB
PDBbind
8-mer
6cdp
RCSB PDB
PDBbind
8-mer
6e86
RCSB PDB
PDBbind
8-mer
6eww
RCSB PDB
PDBbind
8-mer
6fau
RCSB PDB
PDBbind
8-mer
6fav
RCSB PDB
PDBbind
8-mer
6faw
RCSB PDB
PDBbind
8-mer
6fbw
RCSB PDB
PDBbind
8-mer
6fby
RCSB PDB
PDBbind
8-mer
6fel
RCSB PDB
PDBbind
8-mer
6fi4
RCSB PDB
PDBbind
8-mer
6fi5
RCSB PDB
PDBbind
8-mer
6fmp
RCSB PDB
PDBbind
8-mer
6fx1
RCSB PDB
PDBbind
8-mer
6hpg
RCSB PDB
PDBbind
8-mer
6min
RCSB PDB
PDBbind
8-mer
6q3q
RCSB PDB
PDBbind
8-mer
6r0x
RCSB PDB
PDBbind
8-mer
6qk8
RCSB PDB
PDBbind
8-mer
6q4q
RCSB PDB
PDBbind
8-mer
6mtv
RCSB PDB
PDBbind
8-mer
6mtu
RCSB PDB
PDBbind
8-mer
6ms1
RCSB PDB
PDBbind
8-mer
6mqe
RCSB PDB
PDBbind
8-mer
6mqc
RCSB PDB
PDBbind
8-mer
6jax
RCSB PDB
PDBbind
8-mer
6hmt
RCSB PDB
PDBbind
8-mer
6hhp
RCSB PDB
PDBbind
8-mer
6dtn
RCSB PDB
PDBbind
8-mer
6dql
RCSB PDB
PDBbind
8-mer
6do1
RCSB PDB
PDBbind
8-mer
Entry Information
PDB ID
6miq
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
AF9 YEATS domain Y78W
Ligand Name
8-mer
EC.Number
E.C.-.-.-.-
Resolution
1.75(Å)
Affinity (Kd/Ki/IC50)
Kd=28uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Nat Commun Vol. 9: pp. 4574-4574
Ligand Properties
Formula
C
3
0
H
5
5
N
1
0
O
1
0
Molecular Weight
715.819
Exact Mass
715.410
No. of atoms
105
No. of bonds
104
Polar Surface Area
341.23
LOGP Value
-0.62 (
Computed with XLOGP3
)
-1.15 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 31
No. of Nitrogen and Oxygen Atoms: 20
No. of Rings: 0
Canonical SMILES
CCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)C)CCC(=O)N)C)CCC[NH+]=C(N)N
InChI String
InChI=1S/C30H54N10O10/c1-5-9-23(44)34-14-7-6-10-21(29(49)50)39-26(46)19(11-8-15-35-30(32)33)38-25(45)16(2)36-28(48)24(17(3)41)40-27(47)20(37-18(4)42)12-13-22(31)43/h16-17,19-21,24,41H,5-15H2,1-4H3,(H2,31,43)(H,34,44)(H,36,48)(H,37,42)(H,38,45)(H,39,46)(H,40,47)(H,49,50)(H4,32,33,35)/p+1/t16-,17+,19-,20-,21-,24-/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):
P35189
P68431
Entrez Gene ID
NCBI Entrez Gene ID:
855974
8350
8351
8352
8353
8354
8355
8356
8357
8358
8968
ASD
Information of known allosteric effects of PDB entries
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