Browse entries in the PDBbind-CN Database
HEADER 5IF4_COMPLEX COMPND 5IF4_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 151 ASP GLU LEU TYR ARG GLN SER LEU GLU ILE ILE SER ARG SEQRES 2 A 151 TYR LEU ARG GLU GLN ALA THR GLY ALA LYS ASP THR LYS SEQRES 3 A 151 PRO MET GLY ARG SER GLY ALA THR SER ARG LYS ALA LEU SEQRES 4 A 151 GLU THR LEU ARG ARG VAL GLY ASP GLY VAL GLN ARG ASN SEQRES 5 A 151 HIS GLU THR ALA PHE GLN GLY MET LEU ARG LYS LEU ASP SEQRES 6 A 151 ILE LYS ASN GLU ASP ASP VAL LYS SER LEU SER ARG VAL SEQRES 7 A 151 MET ILE HIS VAL PHE SER ASP GLY VAL THR ASN TRP GLY SEQRES 8 A 151 ARG ILE VAL THR LEU ILE SER PHE GLY ALA PHE VAL ALA SEQRES 9 A 151 LYS HIS LEU LYS THR ILE ASN GLN GLU SER CYS ILE GLU SEQRES 10 A 151 PRO LEU ALA GLU SER ILE THR ASP VAL LEU VAL ARG THR SEQRES 11 A 151 LYS ARG ASP TRP LEU VAL LYS GLN ARG GLY TRP ASP GLY SEQRES 12 A 151 PHE VAL GLU PHE PHE HIS VAL GLU HET UNN A 213 88 ATOM 1 N ASP A 172 -13.886 8.536 0.608 1.00 64.15 N ATOM 2 CA ASP A 172 -13.409 8.162 1.941 1.00 54.82 C ATOM 3 C ASP A 172 -11.953 8.606 2.159 1.00 51.96 C ATOM 4 O ASP A 172 -11.015 7.846 1.894 1.00 48.27 O ATOM 5 CB ASP A 172 -13.544 6.645 2.139 1.00 53.75 C ATOM 6 CG ASP A 172 -13.355 6.216 3.594 1.00 57.88 C ATOM 7 OD1 ASP A 172 -12.870 7.034 4.409 1.00 58.67 O ATOM 8 OD2 ASP A 172 -13.690 5.054 3.928 1.00 57.14 O ATOM 9 HN3 ASP A 172 -13.290 8.081 -0.112 1.00 0.00 H ATOM 10 HN2 ASP A 172 -13.835 9.569 0.500 1.00 0.00 H ATOM 11 HN1 ASP A 172 -14.871 8.222 0.493 1.00 0.00 H ATOM 12 N GLU A 173 -11.773 9.830 2.671 1.00 56.61 N ATOM 13 CA GLU A 173 -10.432 10.404 2.787 1.00 53.05 C ATOM 14 C GLU A 173 -9.632 9.795 3.933 1.00 49.65 C ATOM 15 O GLU A 173 -8.406 9.631 3.821 1.00 51.16 O ATOM 16 CB GLU A 173 -10.534 11.925 2.953 1.00 51.67 C ATOM 17 CG GLU A 173 -9.381 12.546 3.745 1.00 60.93 C ATOM 18 CD GLU A 173 -8.121 12.728 2.920 1.00 68.64 C ATOM 19 OE1 GLU A 173 -7.069 13.061 3.519 1.00 70.61 O ATOM 20 OE2 GLU A 173 -8.169 12.491 1.690 1.00 66.02 O ATOM 21 H GLU A 173 -12.596 10.379 2.990 1.00 0.00 H ATOM 22 N LEU A 174 -10.307 9.415 5.017 1.00 47.13 N ATOM 23 CA LEU A 174 -9.621 8.741 6.108 1.00 35.28 C ATOM 24 C LEU A 174 -8.997 7.439 5.630 1.00 32.88 C ATOM 25 O LEU A 174 -7.839 7.138 5.947 1.00 30.85 O ATOM 26 CB LEU A 174 -10.591 8.495 7.263 1.00 47.78 C ATOM 27 CG LEU A 174 -9.954 7.766 8.443 1.00 37.14 C ATOM 28 CD1 LEU A 174 -8.790 8.585 8.958 1.00 33.34 C ATOM 29 CD2 LEU A 174 -10.990 7.523 9.527 1.00 35.83 C ATOM 30 H LEU A 174 -11.328 9.601 5.083 1.00 0.00 H ATOM 31 N TYR A 175 -9.745 6.660 4.837 1.00 41.33 N ATOM 32 CA TYR A 175 -9.228 5.381 4.355 1.00 38.65 C ATOM 33 C TYR A 175 -8.031 5.598 3.454 1.00 33.12 C ATOM 34 O TYR A 175 -7.026 4.883 3.547 1.00 28.54 O ATOM 35 CB TYR A 175 -10.315 4.598 3.608 1.00 35.86 C ATOM 36 CG TYR A 175 -9.823 3.361 2.856 1.00 33.36 C ATOM 37 CD1 TYR A 175 -9.349 3.437 1.555 1.00 38.98 C ATOM 38 CD2 TYR A 175 -9.820 2.112 3.477 1.00 46.12 C ATOM 39 CE1 TYR A 175 -8.903 2.318 0.886 1.00 42.21 C ATOM 40 CE2 TYR A 175 -9.365 0.974 2.817 1.00 47.34 C ATOM 41 CZ TYR A 175 -8.909 1.089 1.516 1.00 41.64 C ATOM 42 OH TYR A 175 -8.459 -0.035 0.849 1.00 31.71 O ATOM 43 HH TYR A 175 -8.171 0.218 -0.064 1.00 0.00 H ATOM 44 H TYR A 175 -10.700 6.968 4.563 1.00 0.00 H ATOM 45 N ARG A 176 -8.110 6.598 2.585 1.00 32.90 N ATOM 46 CA ARG A 176 -7.023 6.793 1.640 1.00 42.78 C ATOM 47 C ARG A 176 -5.757 7.266 2.358 1.00 48.16 C ATOM 48 O ARG A 176 -4.653 6.766 2.083 1.00 53.16 O ATOM 49 CB ARG A 176 -7.456 7.777 0.549 1.00 42.03 C ATOM 50 CG ARG A 176 -6.311 8.294 -0.302 1.00 41.78 C ATOM 51 CD ARG A 176 -6.543 9.727 -0.758 1.00 45.81 C ATOM 52 NE ARG A 176 -6.093 10.653 0.285 1.00 53.94 N ATOM 53 CZ ARG A 176 -4.823 10.843 0.653 1.00 48.19 C ATOM 54 NH1 ARG A 176 -3.821 10.175 0.076 1.00 42.03 N ATOM 55 NH2 ARG A 176 -4.556 11.705 1.622 1.00 49.96 N ATOM 56 HE ARG A 176 -6.822 11.207 0.779 1.00 0.00 H ATOM 57 HH12 ARG A 176 -2.841 10.342 0.381 1.00 0.00 H ATOM 58 HH11 ARG A 176 -4.021 9.488 -0.679 1.00 0.00 H ATOM 59 HH22 ARG A 176 -3.572 11.864 1.920 1.00 0.00 H ATOM 60 HH21 ARG A 176 -5.330 12.223 2.085 1.00 0.00 H ATOM 61 H ARG A 176 -8.935 7.231 2.580 1.00 0.00 H ATOM 62 N GLN A 177 -5.907 8.169 3.334 1.00 35.16 N ATOM 63 CA GLN A 177 -4.746 8.613 4.103 1.00 34.02 C ATOM 64 C GLN A 177 -4.131 7.454 4.885 1.00 34.27 C ATOM 65 O GLN A 177 -2.909 7.233 4.848 1.00 39.20 O ATOM 66 CB GLN A 177 -5.149 9.739 5.053 1.00 31.16 C ATOM 67 CG GLN A 177 -4.039 10.151 6.012 1.00 30.40 C ATOM 68 CD GLN A 177 -4.311 11.477 6.723 1.00 45.82 C ATOM 69 OE1 GLN A 177 -5.395 11.680 7.302 1.00 33.63 O ATOM 70 NE2 GLN A 177 -3.309 12.356 6.743 1.00 39.65 N ATOM 71 HE22 GLN A 177 -2.421 12.144 6.245 1.00 0.00 H ATOM 72 HE21 GLN A 177 -3.415 13.254 7.257 1.00 0.00 H ATOM 73 H GLN A 177 -6.849 8.555 3.545 1.00 0.00 H ATOM 74 N SER A 178 -4.976 6.702 5.607 1.00 35.18 N ATOM 75 CA SER A 178 -4.495 5.561 6.379 1.00 28.62 C ATOM 76 C SER A 178 -3.770 4.558 5.488 1.00 26.17 C ATOM 77 O SER A 178 -2.694 4.062 5.843 1.00 22.98 O ATOM 78 CB SER A 178 -5.665 4.873 7.084 1.00 25.62 C ATOM 79 OG SER A 178 -6.518 5.800 7.707 1.00 27.30 O ATOM 80 HG SER A 178 -6.885 6.418 7.026 1.00 0.00 H ATOM 81 H SER A 178 -5.989 6.936 5.616 1.00 0.00 H ATOM 82 N LEU A 179 -4.320 4.288 4.301 1.00 24.96 N ATOM 83 CA LEU A 179 -3.697 3.312 3.416 1.00 28.10 C ATOM 84 C LEU A 179 -2.379 3.826 2.860 1.00 30.99 C ATOM 85 O LEU A 179 -1.451 3.038 2.642 1.00 29.76 O ATOM 86 CB LEU A 179 -4.626 2.943 2.255 1.00 25.33 C ATOM 87 CG LEU A 179 -3.964 2.106 1.157 1.00 36.10 C ATOM 88 CD1 LEU A 179 -3.552 0.722 1.696 1.00 34.20 C ATOM 89 CD2 LEU A 179 -4.828 1.959 -0.085 1.00 26.66 C ATOM 90 H LEU A 179 -5.192 4.774 4.009 1.00 0.00 H ATOM 91 N GLU A 180 -2.239 5.138 2.657 1.00 29.26 N ATOM 92 CA GLU A 180 -0.953 5.575 2.136 1.00 25.07 C ATOM 93 C GLU A 180 0.117 5.450 3.210 1.00 31.44 C ATOM 94 O GLU A 180 1.217 4.929 2.947 1.00 33.11 O ATOM 95 CB GLU A 180 -1.051 6.988 1.570 1.00 29.71 C ATOM 96 CG GLU A 180 -0.002 7.232 0.492 1.00 52.45 C ATOM 97 CD GLU A 180 -0.488 8.220 -0.558 1.00 78.09 C ATOM 98 OE1 GLU A 180 -0.988 7.727 -1.599 1.00 83.53 O ATOM 99 OE2 GLU A 180 -0.439 9.447 -0.315 1.00 83.28 O ATOM 100 H GLU A 180 -3.006 5.810 2.860 1.00 0.00 H ATOM 101 N ILE A 181 -0.229 5.807 4.451 1.00 27.23 N ATOM 102 CA ILE A 181 0.722 5.653 5.551 1.00 23.08 C ATOM 103 C ILE A 181 1.080 4.186 5.752 1.00 21.75 C ATOM 104 O ILE A 181 2.259 3.805 5.757 1.00 24.82 O ATOM 105 CB ILE A 181 0.166 6.280 6.838 1.00 23.47 C ATOM 106 CG1 ILE A 181 0.179 7.810 6.730 1.00 32.72 C ATOM 107 CG2 ILE A 181 0.931 5.780 8.050 1.00 22.64 C ATOM 108 CD1 ILE A 181 -0.856 8.522 7.606 1.00 33.74 C ATOM 109 H ILE A 181 -1.176 6.195 4.634 1.00 0.00 H ATOM 110 N ILE A 182 0.071 3.342 5.927 1.00 21.24 N ATOM 111 CA ILE A 182 0.305 1.930 6.229 1.00 20.09 C ATOM 112 C ILE A 182 1.042 1.230 5.084 1.00 29.08 C ATOM 113 O ILE A 182 1.993 0.458 5.304 1.00 19.51 O ATOM 114 CB ILE A 182 -1.036 1.256 6.558 1.00 22.92 C ATOM 115 CG1 ILE A 182 -1.532 1.762 7.927 1.00 26.95 C ATOM 116 CG2 ILE A 182 -0.919 -0.251 6.455 1.00 18.95 C ATOM 117 CD1 ILE A 182 -3.034 1.687 8.124 1.00 24.47 C ATOM 118 H ILE A 182 -0.905 3.691 5.848 1.00 0.00 H ATOM 119 N SER A 183 0.645 1.521 3.844 1.00 20.86 N ATOM 120 CA SER A 183 1.297 0.914 2.694 1.00 28.32 C ATOM 121 C SER A 183 2.769 1.304 2.627 1.00 35.14 C ATOM 122 O SER A 183 3.637 0.440 2.430 1.00 30.77 O ATOM 123 CB SER A 183 0.578 1.328 1.406 1.00 22.30 C ATOM 124 OG SER A 183 1.229 0.784 0.279 1.00 27.59 O ATOM 125 HG SER A 183 0.751 1.062 -0.543 1.00 0.00 H ATOM 126 H SER A 183 -0.139 2.189 3.698 1.00 0.00 H ATOM 127 N ARG A 184 3.078 2.588 2.841 1.00 21.94 N ATOM 128 CA ARG A 184 4.480 3.005 2.797 1.00 34.34 C ATOM 129 C ARG A 184 5.291 2.386 3.937 1.00 32.50 C ATOM 130 O ARG A 184 6.425 1.932 3.726 1.00 28.97 O ATOM 131 CB ARG A 184 4.574 4.531 2.823 1.00 23.37 C ATOM 132 CG ARG A 184 3.974 5.187 1.592 1.00 30.47 C ATOM 133 CD ARG A 184 4.369 6.615 1.504 1.00 30.11 C ATOM 134 NE ARG A 184 3.896 7.216 0.274 1.00 44.01 N ATOM 135 CZ ARG A 184 4.548 8.200 -0.326 1.00 42.30 C ATOM 136 NH1 ARG A 184 5.687 8.629 0.203 1.00 33.52 N ATOM 137 NH2 ARG A 184 4.103 8.723 -1.460 1.00 41.79 N ATOM 138 HE ARG A 184 3.015 6.863 -0.152 1.00 0.00 H ATOM 139 HH12 ARG A 184 6.214 9.401 -0.253 1.00 0.00 H ATOM 140 HH11 ARG A 184 6.053 8.193 1.074 1.00 0.00 H ATOM 141 HH22 ARG A 184 4.628 9.495 -1.918 1.00 0.00 H ATOM 142 HH21 ARG A 184 3.229 8.361 -1.892 1.00 0.00 H ATOM 143 H ARG A 184 2.329 3.283 3.037 1.00 0.00 H ATOM 144 N TYR A 185 4.708 2.303 5.138 1.00 25.58 N ATOM 145 CA TYR A 185 5.449 1.706 6.239 1.00 27.14 C ATOM 146 C TYR A 185 5.721 0.230 5.970 1.00 20.19 C ATOM 147 O TYR A 185 6.833 -0.259 6.200 1.00 29.86 O ATOM 148 CB TYR A 185 4.688 1.868 7.556 1.00 20.10 C ATOM 149 CG TYR A 185 5.490 1.349 8.732 1.00 27.85 C ATOM 150 CD1 TYR A 185 5.047 0.267 9.478 1.00 19.01 C ATOM 151 CD2 TYR A 185 6.717 1.907 9.054 1.00 20.92 C ATOM 152 CE1 TYR A 185 5.786 -0.226 10.531 1.00 28.58 C ATOM 153 CE2 TYR A 185 7.458 1.430 10.101 1.00 34.98 C ATOM 154 CZ TYR A 185 6.993 0.352 10.841 1.00 36.66 C ATOM 155 OH TYR A 185 7.738 -0.133 11.904 1.00 34.64 O ATOM 156 HH TYR A 185 7.858 0.584 12.576 1.00 0.00 H ATOM 157 H TYR A 185 3.742 2.659 5.282 1.00 0.00 H ATOM 158 N LEU A 186 4.742 -0.475 5.415 1.00 23.19 N ATOM 159 CA LEU A 186 4.911 -1.912 5.194 1.00 19.83 C ATOM 160 C LEU A 186 5.911 -2.191 4.078 1.00 24.17 C ATOM 161 O LEU A 186 6.836 -2.996 4.256 1.00 20.75 O ATOM 162 CB LEU A 186 3.561 -2.562 4.882 1.00 20.48 C ATOM 163 CG LEU A 186 2.836 -3.210 6.074 1.00 23.20 C ATOM 164 CD1 LEU A 186 2.611 -2.197 7.200 1.00 17.63 C ATOM 165 CD2 LEU A 186 1.502 -3.772 5.614 1.00 17.72 C ATOM 166 H LEU A 186 3.856 -0.006 5.138 1.00 0.00 H ATOM 167 N ARG A 187 5.794 -1.486 2.939 1.00 21.18 N ATOM 168 CA ARG A 187 6.719 -1.784 1.848 1.00 26.18 C ATOM 169 C ARG A 187 8.127 -1.342 2.189 1.00 25.72 C ATOM 170 O ARG A 187 9.101 -2.021 1.832 1.00 29.07 O ATOM 171 CB ARG A 187 6.307 -1.117 0.521 1.00 28.74 C ATOM 172 CG ARG A 187 4.900 -1.454 0.003 1.00 38.41 C ATOM 173 CD ARG A 187 4.544 -0.620 -1.225 1.00 36.62 C ATOM 174 NE ARG A 187 4.177 0.752 -0.879 1.00 45.75 N ATOM 175 CZ ARG A 187 4.945 1.813 -1.135 1.00 48.15 C ATOM 176 NH1 ARG A 187 6.119 1.652 -1.743 1.00 46.44 N ATOM 177 NH2 ARG A 187 4.545 3.032 -0.788 1.00 42.21 N ATOM 178 HE ARG A 187 3.264 0.911 -0.406 1.00 0.00 H ATOM 179 HH12 ARG A 187 6.719 2.478 -1.943 1.00 0.00 H ATOM 180 HH11 ARG A 187 6.436 0.700 -2.018 1.00 0.00 H ATOM 181 HH22 ARG A 187 5.148 3.855 -0.990 1.00 0.00 H ATOM 182 HH21 ARG A 187 3.629 3.163 -0.314 1.00 0.00 H ATOM 183 H ARG A 187 5.066 -0.750 2.838 1.00 0.00 H ATOM 184 N GLU A 188 8.251 -0.265 2.955 1.00 23.10 N ATOM 185 CA GLU A 188 9.579 0.192 3.334 1.00 24.17 C ATOM 186 C GLU A 188 10.215 -0.744 4.348 1.00 36.43 C ATOM 187 O GLU A 188 11.433 -0.971 4.322 1.00 29.37 O ATOM 188 CB GLU A 188 9.482 1.584 3.905 1.00 24.25 C ATOM 189 CG GLU A 188 10.671 1.973 4.693 1.00 43.60 C ATOM 190 CD GLU A 188 10.470 3.314 5.394 1.00 52.20 C ATOM 191 OE1 GLU A 188 11.222 3.565 6.356 1.00 58.19 O ATOM 192 OE2 GLU A 188 9.602 4.099 4.956 1.00 43.86 O ATOM 193 H GLU A 188 7.407 0.247 3.281 1.00 0.00 H ATOM 194 N GLN A 189 9.413 -1.312 5.245 1.00 37.25 N ATOM 195 CA GLN A 189 9.982 -2.289 6.157 1.00 31.70 C ATOM 196 C GLN A 189 10.405 -3.545 5.408 1.00 31.70 C ATOM 197 O GLN A 189 11.439 -4.142 5.725 1.00 38.19 O ATOM 198 CB GLN A 189 8.987 -2.618 7.273 1.00 28.67 C ATOM 199 CG GLN A 189 8.790 -1.485 8.241 1.00 28.19 C ATOM 200 CD GLN A 189 9.731 -1.607 9.418 1.00 32.88 C ATOM 201 OE1 GLN A 189 9.745 -2.629 10.100 1.00 36.91 O ATOM 202 NE2 GLN A 189 10.548 -0.583 9.643 1.00 30.13 N ATOM 203 HE22 GLN A 189 10.500 0.263 9.039 1.00 0.00 H ATOM 204 HE21 GLN A 189 11.235 -0.627 10.423 1.00 0.00 H ATOM 205 H GLN A 189 8.404 -1.063 5.292 1.00 0.00 H ATOM 206 N ALA A 190 9.647 -3.930 4.375 1.00 29.91 N ATOM 207 CA ALA A 190 9.945 -5.166 3.651 1.00 34.85 C ATOM 208 C ALA A 190 11.148 -5.034 2.714 1.00 38.83 C ATOM 209 O ALA A 190 11.870 -6.016 2.503 1.00 37.27 O ATOM 210 CB ALA A 190 8.711 -5.628 2.877 1.00 28.68 C ATOM 211 H ALA A 190 8.838 -3.345 4.084 1.00 0.00 H ATOM 212 N THR A 191 11.356 -3.860 2.099 1.00 35.44 N ATOM 213 CA THR A 191 12.432 -3.659 1.123 1.00 38.42 C ATOM 214 C THR A 191 13.644 -2.898 1.662 1.00 38.82 C ATOM 215 O THR A 191 14.683 -2.871 0.990 1.00 39.88 O ATOM 216 CB THR A 191 11.912 -2.902 -0.102 1.00 37.69 C ATOM 217 OG1 THR A 191 11.667 -1.530 0.255 1.00 38.82 O ATOM 218 CG2 THR A 191 10.626 -3.534 -0.593 1.00 41.85 C ATOM 219 HG1 THR A 191 10.992 -1.494 0.978 1.00 0.00 H ATOM 220 H THR A 191 10.729 -3.061 2.323 1.00 0.00 H ATOM 221 N GLY A 192 13.535 -2.260 2.827 1.00 32.10 N ATOM 222 CA GLY A 192 14.599 -1.441 3.379 1.00 30.31 C ATOM 223 C GLY A 192 14.799 -0.101 2.707 1.00 38.69 C ATOM 224 O GLY A 192 15.729 0.632 3.066 1.00 39.68 O ATOM 225 H GLY A 192 12.649 -2.353 3.364 1.00 0.00 H ATOM 226 N ALA A 193 13.942 0.265 1.762 1.00 35.33 N ATOM 227 CA ALA A 193 14.112 1.486 0.990 1.00 42.37 C ATOM 228 C ALA A 193 12.966 2.447 1.267 1.00 37.60 C ATOM 229 O ALA A 193 11.793 2.061 1.205 1.00 35.96 O ATOM 230 CB ALA A 193 14.183 1.174 -0.508 1.00 43.21 C ATOM 231 H ALA A 193 13.121 -0.342 1.567 1.00 0.00 H ATOM 232 N LYS A 194 13.295 3.705 1.514 1.00 33.06 N ATOM 233 CA LYS A 194 12.229 4.660 1.723 1.00 34.45 C ATOM 234 C LYS A 194 11.618 5.023 0.385 1.00 38.73 C ATOM 235 O LYS A 194 12.275 4.995 -0.655 1.00 46.16 O ATOM 236 CB LYS A 194 12.744 5.914 2.420 1.00 36.01 C ATOM 237 CG LYS A 194 13.227 5.651 3.828 1.00 43.43 C ATOM 238 CD LYS A 194 13.751 6.918 4.467 1.00 47.87 C ATOM 239 CE LYS A 194 14.333 6.636 5.840 1.00 54.01 C ATOM 240 NZ LYS A 194 14.803 7.883 6.512 1.00 64.56 N ATOM 241 HZ1 LYS A 194 15.540 8.332 5.931 1.00 0.00 H ATOM 242 HZ2 LYS A 194 14.003 8.537 6.625 1.00 0.00 H ATOM 243 HZ3 LYS A 194 15.193 7.646 7.446 1.00 0.00 H ATOM 244 H LYS A 194 14.292 3.999 1.557 1.00 0.00 H ATOM 245 N ASP A 195 10.339 5.345 0.418 1.00 35.69 N ATOM 246 CA ASP A 195 9.616 5.756 -0.771 1.00 33.12 C ATOM 247 C ASP A 195 9.685 7.279 -0.881 1.00 33.96 C ATOM 248 O ASP A 195 9.116 7.989 -0.050 1.00 38.82 O ATOM 249 CB ASP A 195 8.177 5.246 -0.681 1.00 30.78 C ATOM 250 CG ASP A 195 7.334 5.645 -1.880 1.00 45.93 C ATOM 251 OD1 ASP A 195 6.114 5.379 -1.828 1.00 54.54 O ATOM 252 OD2 ASP A 195 7.886 6.229 -2.849 1.00 49.94 O ATOM 253 H ASP A 195 9.833 5.303 1.325 1.00 0.00 H ATOM 254 N THR A 196 10.348 7.781 -1.919 1.00 31.13 N ATOM 255 CA THR A 196 10.562 9.212 -2.067 1.00 32.29 C ATOM 256 C THR A 196 9.499 9.885 -2.942 1.00 38.62 C ATOM 257 O THR A 196 9.615 11.074 -3.228 1.00 33.68 O ATOM 258 CB THR A 196 11.975 9.488 -2.609 1.00 38.08 C ATOM 259 OG1 THR A 196 12.124 8.937 -3.923 1.00 37.00 O ATOM 260 CG2 THR A 196 13.036 8.902 -1.699 1.00 34.56 C ATOM 261 HG1 THR A 196 13.037 9.123 -4.256 1.00 0.00 H ATOM 262 H THR A 196 10.723 7.135 -2.642 1.00 0.00 H ATOM 263 N LYS A 197 8.456 9.172 -3.355 1.00 41.74 N ATOM 264 CA LYS A 197 7.378 9.831 -4.093 1.00 37.07 C ATOM 265 C LYS A 197 6.643 10.788 -3.143 1.00 32.00 C ATOM 266 O LYS A 197 6.365 10.420 -2.001 1.00 30.85 O ATOM 267 CB LYS A 197 6.397 8.786 -4.620 1.00 40.11 C ATOM 268 CG LYS A 197 6.853 8.008 -5.857 1.00 42.68 C ATOM 269 CD LYS A 197 5.772 7.016 -6.346 1.00 46.36 C ATOM 270 CE LYS A 197 4.373 7.597 -6.254 1.00 61.10 C ATOM 271 NZ LYS A 197 3.482 7.189 -7.390 1.00 65.87 N ATOM 272 HZ1 LYS A 197 3.897 7.512 -8.287 1.00 0.00 H ATOM 273 HZ2 LYS A 197 3.390 6.153 -7.402 1.00 0.00 H ATOM 274 HZ3 LYS A 197 2.544 7.620 -7.265 1.00 0.00 H ATOM 275 H LYS A 197 8.406 8.153 -3.155 1.00 0.00 H ATOM 276 N PRO A 198 6.373 12.018 -3.575 1.00 33.28 N ATOM 277 CA PRO A 198 5.520 12.913 -2.771 1.00 38.83 C ATOM 278 C PRO A 198 4.231 12.253 -2.290 1.00 42.30 C ATOM 279 O PRO A 198 3.622 11.447 -2.992 1.00 43.34 O ATOM 280 CB PRO A 198 5.224 14.060 -3.747 1.00 35.21 C ATOM 281 CG PRO A 198 6.321 14.020 -4.767 1.00 36.00 C ATOM 282 CD PRO A 198 7.130 12.765 -4.581 1.00 40.07 C ATOM 283 N MET A 199 3.798 12.649 -1.092 1.00 43.85 N ATOM 284 CA MET A 199 2.483 12.323 -0.541 1.00 51.57 C ATOM 285 C MET A 199 1.374 13.167 -1.176 1.00 54.69 C ATOM 286 O MET A 199 1.614 14.192 -1.826 1.00 45.79 O ATOM 287 CB MET A 199 2.445 12.571 0.965 1.00 57.39 C ATOM 288 CG MET A 199 3.651 12.102 1.731 1.00 57.17 C ATOM 289 SD MET A 199 3.313 10.507 2.451 1.00 52.38 S ATOM 290 CE MET A 199 4.736 10.328 3.520 1.00 55.20 C ATOM 291 H MET A 199 4.438 13.228 -0.511 1.00 0.00 H ATOM 292 N GLY A 200 0.128 12.742 -0.933 1.00 62.85 N ATOM 293 CA GLY A 200 -1.042 13.470 -1.391 1.00 75.16 C ATOM 294 C GLY A 200 -1.401 14.629 -0.479 1.00 81.61 C ATOM 295 O GLY A 200 -0.535 15.264 0.137 1.00 82.62 O ATOM 296 H GLY A 200 -0.007 11.860 -0.398 1.00 0.00 H ATOM 297 N ARG A 201 -2.696 14.925 -0.401 1.00 83.17 N ATOM 298 CA ARG A 201 -3.145 15.945 0.532 1.00 80.98 C ATOM 299 C ARG A 201 -2.914 15.472 1.966 1.00 79.38 C ATOM 300 O ARG A 201 -2.756 14.276 2.237 1.00 71.27 O ATOM 301 CB ARG A 201 -4.621 16.284 0.305 1.00 77.77 C ATOM 302 H ARG A 201 -3.383 14.429 -1.004 1.00 0.00 H ATOM 303 N SER A 202 -2.900 16.437 2.889 1.00 79.74 N ATOM 304 CA SER A 202 -2.483 16.204 4.275 1.00 72.22 C ATOM 305 C SER A 202 -1.086 15.594 4.309 1.00 65.72 C ATOM 306 O SER A 202 -0.779 14.734 5.139 1.00 62.52 O ATOM 307 CB SER A 202 -3.481 15.309 5.021 1.00 66.53 C ATOM 308 OG SER A 202 -4.817 15.763 4.875 1.00 70.70 O ATOM 309 HG SER A 202 -5.425 15.159 5.370 1.00 0.00 H ATOM 310 H SER A 202 -3.198 17.394 2.613 1.00 0.00 H ATOM 311 N GLY A 203 -0.219 16.087 3.422 1.00 67.27 N ATOM 312 CA GLY A 203 1.106 15.502 3.290 1.00 60.06 C ATOM 313 C GLY A 203 1.938 15.600 4.556 1.00 53.56 C ATOM 314 O GLY A 203 2.587 14.630 4.967 1.00 60.25 O ATOM 315 H GLY A 203 -0.492 16.892 2.823 1.00 0.00 H ATOM 316 N ALA A 204 1.939 16.775 5.190 1.00 44.74 N ATOM 317 CA ALA A 204 2.777 16.970 6.367 1.00 44.32 C ATOM 318 C ALA A 204 2.438 15.950 7.454 1.00 43.01 C ATOM 319 O ALA A 204 3.316 15.215 7.932 1.00 50.72 O ATOM 320 CB ALA A 204 2.627 18.404 6.874 1.00 47.21 C ATOM 321 H ALA A 204 1.341 17.552 4.844 1.00 0.00 H ATOM 322 N THR A 205 1.153 15.835 7.802 1.00 44.82 N ATOM 323 CA THR A 205 0.733 14.852 8.799 1.00 36.85 C ATOM 324 C THR A 205 1.159 13.438 8.424 1.00 37.93 C ATOM 325 O THR A 205 1.709 12.706 9.252 1.00 36.69 O ATOM 326 CB THR A 205 -0.781 14.888 8.981 1.00 40.73 C ATOM 327 OG1 THR A 205 -1.199 16.203 9.381 1.00 43.44 O ATOM 328 CG2 THR A 205 -1.213 13.826 10.010 1.00 34.10 C ATOM 329 HG1 THR A 205 -0.763 16.441 10.237 1.00 0.00 H ATOM 330 H THR A 205 0.443 16.452 7.358 1.00 0.00 H ATOM 331 N SER A 206 0.913 13.026 7.181 1.00 36.19 N ATOM 332 CA SER A 206 1.226 11.648 6.821 1.00 37.55 C ATOM 333 C SER A 206 2.721 11.380 6.929 1.00 34.97 C ATOM 334 O SER A 206 3.134 10.317 7.407 1.00 33.45 O ATOM 335 CB SER A 206 0.704 11.341 5.426 1.00 39.16 C ATOM 336 OG SER A 206 -0.671 11.668 5.356 1.00 49.24 O ATOM 337 HG SER A 206 -0.790 12.632 5.549 1.00 0.00 H ATOM 338 H SER A 206 0.505 13.676 6.479 1.00 0.00 H ATOM 339 N ARG A 207 3.550 12.366 6.566 1.00 35.11 N ATOM 340 CA ARG A 207 4.990 12.186 6.694 1.00 35.97 C ATOM 341 C ARG A 207 5.389 12.049 8.162 1.00 38.17 C ATOM 342 O ARG A 207 6.209 11.184 8.518 1.00 34.26 O ATOM 343 CB ARG A 207 5.718 13.361 6.043 1.00 48.44 C ATOM 344 CG ARG A 207 7.148 13.057 5.617 1.00 58.94 C ATOM 345 CD ARG A 207 8.144 14.056 6.175 1.00 74.97 C ATOM 346 NE ARG A 207 7.868 15.450 5.838 1.00 80.09 N ATOM 347 CZ ARG A 207 7.817 16.432 6.738 1.00 84.16 C ATOM 348 NH1 ARG A 207 7.578 17.680 6.348 1.00 89.30 N ATOM 349 NH2 ARG A 207 8.011 16.168 8.031 1.00 74.25 N ATOM 350 HE ARG A 207 7.702 15.690 4.840 1.00 0.00 H ATOM 351 HH12 ARG A 207 7.538 18.446 7.051 1.00 0.00 H ATOM 352 HH11 ARG A 207 7.431 17.891 5.340 1.00 0.00 H ATOM 353 HH22 ARG A 207 7.970 16.937 8.730 1.00 0.00 H ATOM 354 HH21 ARG A 207 8.203 15.194 8.340 1.00 0.00 H ATOM 355 H ARG A 207 3.167 13.258 6.194 1.00 0.00 H ATOM 356 N LYS A 208 4.760 12.836 9.039 1.00 35.24 N ATOM 357 CA LYS A 208 5.117 12.711 10.448 1.00 34.87 C ATOM 358 C LYS A 208 4.564 11.417 11.038 1.00 34.65 C ATOM 359 O LYS A 208 5.163 10.838 11.950 1.00 31.39 O ATOM 360 CB LYS A 208 4.579 13.895 11.239 1.00 36.48 C ATOM 361 CG LYS A 208 4.793 15.265 10.622 1.00 39.69 C ATOM 362 CD LYS A 208 4.705 16.290 11.720 1.00 41.81 C ATOM 363 CE LYS A 208 4.481 17.682 11.187 1.00 53.66 C ATOM 364 NZ LYS A 208 3.899 18.552 12.254 1.00 56.28 N ATOM 365 HZ1 LYS A 208 2.990 18.155 12.566 1.00 0.00 H ATOM 366 HZ2 LYS A 208 4.555 18.596 13.060 1.00 0.00 H ATOM 367 HZ3 LYS A 208 3.749 19.509 11.876 1.00 0.00 H ATOM 368 H LYS A 208 4.038 13.517 8.727 1.00 0.00 H ATOM 369 N ALA A 209 3.467 10.913 10.490 1.00 30.04 N ATOM 370 CA ALA A 209 2.933 9.644 10.957 1.00 30.01 C ATOM 371 C ALA A 209 3.853 8.501 10.572 1.00 32.91 C ATOM 372 O ALA A 209 4.050 7.557 11.346 1.00 31.15 O ATOM 373 CB ALA A 209 1.529 9.413 10.394 1.00 31.62 C ATOM 374 H ALA A 209 2.987 11.427 9.724 1.00 0.00 H ATOM 375 N LEU A 210 4.468 8.604 9.389 1.00 39.59 N ATOM 376 CA LEU A 210 5.333 7.522 8.949 1.00 35.65 C ATOM 377 C LEU A 210 6.647 7.548 9.728 1.00 36.24 C ATOM 378 O LEU A 210 7.146 6.493 10.153 1.00 34.17 O ATOM 379 CB LEU A 210 5.551 7.618 7.434 1.00 28.85 C ATOM 380 CG LEU A 210 6.581 6.711 6.764 1.00 37.95 C ATOM 381 CD1 LEU A 210 6.079 5.263 6.677 1.00 29.66 C ATOM 382 CD2 LEU A 210 6.886 7.194 5.368 1.00 32.83 C ATOM 383 H LEU A 210 4.330 9.445 8.793 1.00 0.00 H ATOM 384 N GLU A 211 7.166 8.755 10.018 1.00 37.49 N ATOM 385 CA GLU A 211 8.322 8.870 10.915 1.00 42.85 C ATOM 386 C GLU A 211 8.012 8.302 12.297 1.00 36.15 C ATOM 387 O GLU A 211 8.838 7.588 12.894 1.00 32.21 O ATOM 388 CB GLU A 211 8.774 10.330 11.025 1.00 53.41 C ATOM 389 CG GLU A 211 9.231 10.933 9.696 1.00 68.95 C ATOM 390 CD GLU A 211 9.414 12.443 9.754 1.00 81.49 C ATOM 391 OE1 GLU A 211 10.091 12.931 10.680 1.00 91.24 O ATOM 392 OE2 GLU A 211 8.899 13.128 8.858 1.00 91.23 O ATOM 393 H GLU A 211 6.746 9.611 9.604 1.00 0.00 H ATOM 394 N THR A 212 6.817 8.591 12.812 1.00 32.05 N ATOM 395 CA THR A 212 6.427 7.995 14.081 1.00 36.01 C ATOM 396 C THR A 212 6.476 6.474 13.999 1.00 34.03 C ATOM 397 O THR A 212 7.087 5.823 14.862 1.00 30.72 O ATOM 398 CB THR A 212 5.031 8.475 14.482 1.00 34.39 C ATOM 399 OG1 THR A 212 5.055 9.901 14.620 1.00 35.57 O ATOM 400 CG2 THR A 212 4.604 7.837 15.794 1.00 27.51 C ATOM 401 HG1 THR A 212 5.316 10.311 13.757 1.00 0.00 H ATOM 402 H THR A 212 6.171 9.235 12.313 1.00 0.00 H ATOM 403 N LEU A 213 5.931 5.894 12.920 1.00 33.60 N ATOM 404 CA LEU A 213 5.965 4.435 12.825 1.00 29.24 C ATOM 405 C LEU A 213 7.383 3.887 12.656 1.00 29.10 C ATOM 406 O LEU A 213 7.653 2.773 13.108 1.00 35.18 O ATOM 407 CB LEU A 213 5.061 3.905 11.700 1.00 22.94 C ATOM 408 CG LEU A 213 3.549 4.152 11.791 1.00 26.85 C ATOM 409 CD1 LEU A 213 2.840 3.941 10.475 1.00 23.33 C ATOM 410 CD2 LEU A 213 2.928 3.277 12.874 1.00 25.40 C ATOM 411 H LEU A 213 5.495 6.467 12.170 1.00 0.00 H ATOM 412 N ARG A 214 8.318 4.630 12.056 1.00 29.14 N ATOM 413 CA ARG A 214 9.662 4.064 12.020 1.00 35.48 C ATOM 414 C ARG A 214 10.311 4.089 13.393 1.00 37.67 C ATOM 415 O ARG A 214 11.129 3.219 13.704 1.00 48.64 O ATOM 416 CB ARG A 214 10.593 4.785 11.046 1.00 42.66 C ATOM 417 CG ARG A 214 10.029 5.262 9.743 1.00 45.51 C ATOM 418 CD ARG A 214 11.174 5.878 8.929 1.00 47.36 C ATOM 419 NE ARG A 214 10.848 7.103 8.197 1.00 56.74 N ATOM 420 CZ ARG A 214 10.483 7.141 6.919 1.00 57.11 C ATOM 421 NH1 ARG A 214 10.370 6.021 6.246 1.00 62.44 N ATOM 422 NH2 ARG A 214 10.212 8.289 6.311 1.00 61.01 N ATOM 423 HE ARG A 214 10.906 8.005 8.712 1.00 0.00 H ATOM 424 HH12 ARG A 214 10.085 6.042 5.246 1.00 0.00 H ATOM 425 HH11 ARG A 214 10.565 5.112 6.712 1.00 0.00 H ATOM 426 HH22 ARG A 214 9.928 8.293 5.310 1.00 0.00 H ATOM 427 HH21 ARG A 214 10.283 9.184 6.835 1.00 0.00 H ATOM 428 H ARG A 214 8.100 5.558 11.639 1.00 0.00 H ATOM 429 N ARG A 215 9.973 5.063 14.229 1.00 37.87 N ATOM 430 CA ARG A 215 10.597 5.066 15.550 1.00 40.22 C ATOM 431 C ARG A 215 9.963 4.047 16.497 1.00 38.95 C ATOM 432 O ARG A 215 10.670 3.382 17.261 1.00 40.11 O ATOM 433 CB ARG A 215 10.584 6.480 16.123 1.00 39.59 C ATOM 434 CG ARG A 215 10.676 6.571 17.609 1.00 40.35 C ATOM 435 CD ARG A 215 10.864 8.032 17.966 1.00 51.53 C ATOM 436 NE ARG A 215 9.723 8.820 17.525 1.00 57.86 N ATOM 437 CZ ARG A 215 8.664 9.101 18.273 1.00 53.14 C ATOM 438 NH1 ARG A 215 8.577 8.642 19.518 1.00 49.19 N ATOM 439 NH2 ARG A 215 7.684 9.832 17.759 1.00 50.84 N ATOM 440 HE ARG A 215 9.739 9.190 16.553 1.00 0.00 H ATOM 441 HH12 ARG A 215 7.744 8.867 20.098 1.00 0.00 H ATOM 442 HH11 ARG A 215 9.342 8.058 19.912 1.00 0.00 H ATOM 443 HH22 ARG A 215 6.848 10.060 18.335 1.00 0.00 H ATOM 444 HH21 ARG A 215 7.751 10.178 16.780 1.00 0.00 H ATOM 445 H ARG A 215 9.289 5.797 13.954 1.00 0.00 H ATOM 446 N VAL A 216 8.644 3.928 16.489 1.00 37.79 N ATOM 447 CA VAL A 216 7.937 3.081 17.447 1.00 38.32 C ATOM 448 C VAL A 216 7.820 1.629 16.964 1.00 46.59 C ATOM 449 O VAL A 216 7.988 0.676 17.745 1.00 45.34 O ATOM 450 CB VAL A 216 6.554 3.713 17.693 1.00 38.39 C ATOM 451 CG1 VAL A 216 5.676 2.799 18.525 1.00 48.42 C ATOM 452 CG2 VAL A 216 6.708 5.107 18.318 1.00 38.33 C ATOM 453 H VAL A 216 8.095 4.453 15.779 1.00 0.00 H ATOM 454 N GLY A 217 7.539 1.448 15.668 1.00 41.08 N ATOM 455 CA GLY A 217 7.173 0.134 15.164 1.00 37.55 C ATOM 456 C GLY A 217 8.248 -0.923 15.346 1.00 39.92 C ATOM 457 O GLY A 217 7.953 -2.067 15.688 1.00 45.40 O ATOM 458 H GLY A 217 7.583 2.256 15.014 1.00 0.00 H ATOM 459 N ASP A 218 9.508 -0.548 15.151 1.00 41.25 N ATOM 460 CA ASP A 218 10.569 -1.550 15.248 1.00 46.29 C ATOM 461 C ASP A 218 10.785 -1.981 16.690 1.00 39.95 C ATOM 462 O ASP A 218 11.065 -3.162 16.957 1.00 41.93 O ATOM 463 CB ASP A 218 11.852 -1.000 14.626 1.00 58.97 C ATOM 464 CG ASP A 218 11.649 -0.524 13.167 1.00 71.45 C ATOM 465 OD1 ASP A 218 12.573 -0.735 12.341 1.00 72.47 O ATOM 466 OD2 ASP A 218 10.578 0.063 12.859 1.00 71.31 O ATOM 467 H ASP A 218 9.736 0.443 14.933 1.00 0.00 H ATOM 468 N GLY A 219 10.613 -1.058 17.636 1.00 41.72 N ATOM 469 CA GLY A 219 10.610 -1.445 19.031 1.00 47.23 C ATOM 470 C GLY A 219 9.491 -2.419 19.337 1.00 40.92 C ATOM 471 O GLY A 219 9.702 -3.435 20.012 1.00 34.85 O ATOM 472 H GLY A 219 10.481 -0.061 17.372 1.00 0.00 H ATOM 473 N VAL A 220 8.292 -2.140 18.814 1.00 36.88 N ATOM 474 CA VAL A 220 7.167 -3.048 19.024 1.00 26.66 C ATOM 475 C VAL A 220 7.459 -4.434 18.462 1.00 26.29 C ATOM 476 O VAL A 220 7.155 -5.452 19.095 1.00 26.59 O ATOM 477 CB VAL A 220 5.886 -2.455 18.421 1.00 34.95 C ATOM 478 CG1 VAL A 220 4.778 -3.503 18.447 1.00 26.70 C ATOM 479 CG2 VAL A 220 5.475 -1.223 19.211 1.00 39.94 C ATOM 480 H VAL A 220 8.160 -1.273 18.255 1.00 0.00 H ATOM 481 N GLN A 221 8.022 -4.505 17.250 1.00 40.32 N ATOM 482 CA GLN A 221 8.288 -5.809 16.647 1.00 34.57 C ATOM 483 C GLN A 221 9.338 -6.579 17.428 1.00 34.19 C ATOM 484 O GLN A 221 9.202 -7.792 17.624 1.00 36.58 O ATOM 485 CB GLN A 221 8.720 -5.668 15.193 1.00 27.79 C ATOM 486 CG GLN A 221 7.647 -5.176 14.244 1.00 30.04 C ATOM 487 CD GLN A 221 8.223 -4.829 12.874 1.00 31.63 C ATOM 488 OE1 GLN A 221 8.775 -5.688 12.189 1.00 41.83 O ATOM 489 NE2 GLN A 221 8.119 -3.562 12.484 1.00 32.58 N ATOM 490 HE22 GLN A 221 7.644 -2.867 13.095 1.00 0.00 H ATOM 491 HE21 GLN A 221 8.513 -3.266 11.568 1.00 0.00 H ATOM 492 H GLN A 221 8.270 -3.634 16.739 1.00 0.00 H ATOM 493 N ARG A 222 10.398 -5.907 17.881 1.00 36.19 N ATOM 494 CA ARG A 222 11.373 -6.621 18.693 1.00 33.48 C ATOM 495 C ARG A 222 10.740 -7.089 19.995 1.00 40.98 C ATOM 496 O ARG A 222 11.050 -8.182 20.481 1.00 39.85 O ATOM 497 CB ARG A 222 12.597 -5.746 18.966 1.00 40.37 C ATOM 498 H ARG A 222 10.525 -4.899 17.660 1.00 0.00 H ATOM 499 N ASN A 223 9.825 -6.286 20.555 1.00 40.15 N ATOM 500 CA ASN A 223 9.226 -6.601 21.852 1.00 42.09 C ATOM 501 C ASN A 223 8.386 -7.872 21.798 1.00 35.06 C ATOM 502 O ASN A 223 8.418 -8.683 22.728 1.00 33.81 O ATOM 503 CB ASN A 223 8.342 -5.440 22.314 1.00 50.78 C ATOM 504 CG ASN A 223 9.019 -4.531 23.294 1.00 61.67 C ATOM 505 OD1 ASN A 223 8.691 -4.515 24.445 1.00 69.41 O ATOM 506 ND2 ASN A 223 9.957 -3.756 22.851 1.00 67.16 N ATOM 507 HD22 ASN A 223 10.226 -3.787 21.847 1.00 0.00 H ATOM 508 HD21 ASN A 223 10.441 -3.103 23.499 1.00 0.00 H ATOM 509 H ASN A 223 9.534 -5.420 20.057 1.00 0.00 H ATOM 510 N HIS A 224 7.633 -8.068 20.719 1.00 30.94 N ATOM 511 CA HIS A 224 6.706 -9.187 20.624 1.00 36.17 C ATOM 512 C HIS A 224 7.219 -10.277 19.691 1.00 36.53 C ATOM 513 O HIS A 224 6.446 -11.137 19.251 1.00 31.99 O ATOM 514 CB HIS A 224 5.331 -8.681 20.179 1.00 37.26 C ATOM 515 CG HIS A 224 4.645 -7.832 21.212 1.00 41.69 C ATOM 516 ND1 HIS A 224 4.338 -8.297 22.474 1.00 44.28 N ATOM 517 CD2 HIS A 224 4.204 -6.552 21.167 1.00 38.93 C ATOM 518 CE1 HIS A 224 3.747 -7.338 23.164 1.00 41.72 C ATOM 519 NE2 HIS A 224 3.650 -6.270 22.393 1.00 45.04 N ATOM 520 H HIS A 224 7.708 -7.404 19.922 1.00 0.00 H ATOM 521 N GLU A 225 8.529 -10.290 19.454 1.00 36.08 N ATOM 522 CA GLU A 225 9.147 -11.203 18.499 1.00 42.76 C ATOM 523 C GLU A 225 8.652 -12.641 18.655 1.00 40.31 C ATOM 524 O GLU A 225 8.331 -13.305 17.661 1.00 30.92 O ATOM 525 CB GLU A 225 10.655 -11.130 18.652 1.00 41.59 C ATOM 526 CG GLU A 225 11.387 -11.868 17.610 1.00 51.58 C ATOM 527 CD GLU A 225 12.643 -11.127 17.247 1.00 69.62 C ATOM 528 OE1 GLU A 225 13.350 -10.687 18.187 1.00 74.71 O ATOM 529 OE2 GLU A 225 12.916 -10.955 16.037 1.00 75.26 O ATOM 530 H GLU A 225 9.136 -9.622 19.971 1.00 0.00 H ATOM 531 N THR A 226 8.606 -13.151 19.890 1.00 32.86 N ATOM 532 CA THR A 226 8.148 -14.524 20.088 1.00 33.25 C ATOM 533 C THR A 226 6.702 -14.688 19.627 1.00 43.95 C ATOM 534 O THR A 226 6.393 -15.573 18.817 1.00 47.23 O ATOM 535 CB THR A 226 8.289 -14.927 21.559 1.00 38.00 C ATOM 536 OG1 THR A 226 9.643 -14.733 21.990 1.00 47.84 O ATOM 537 CG2 THR A 226 7.912 -16.390 21.755 1.00 37.47 C ATOM 538 HG1 THR A 226 9.887 -13.779 21.887 1.00 0.00 H ATOM 539 H THR A 226 8.895 -12.573 20.705 1.00 0.00 H ATOM 540 N ALA A 227 5.805 -13.813 20.103 1.00 38.67 N ATOM 541 CA ALA A 227 4.397 -13.916 19.727 1.00 27.22 C ATOM 542 C ALA A 227 4.205 -13.668 18.237 1.00 33.91 C ATOM 543 O ALA A 227 3.395 -14.339 17.583 1.00 24.60 O ATOM 544 CB ALA A 227 3.553 -12.938 20.546 1.00 28.70 C ATOM 545 H ALA A 227 6.114 -13.055 20.745 1.00 0.00 H ATOM 546 N PHE A 228 4.935 -12.699 17.682 1.00 36.31 N ATOM 547 CA PHE A 228 4.806 -12.434 16.255 1.00 37.34 C ATOM 548 C PHE A 228 5.224 -13.652 15.440 1.00 34.93 C ATOM 549 O PHE A 228 4.506 -14.078 14.528 1.00 26.09 O ATOM 550 CB PHE A 228 5.612 -11.194 15.863 1.00 33.71 C ATOM 551 CG PHE A 228 4.920 -9.901 16.194 1.00 31.09 C ATOM 552 CD1 PHE A 228 5.441 -8.678 15.758 1.00 27.50 C ATOM 553 CD2 PHE A 228 3.745 -9.900 16.945 1.00 23.03 C ATOM 554 CE1 PHE A 228 4.808 -7.472 16.065 1.00 19.91 C ATOM 555 CE2 PHE A 228 3.105 -8.702 17.256 1.00 26.38 C ATOM 556 CZ PHE A 228 3.636 -7.480 16.804 1.00 24.63 C ATOM 557 H PHE A 228 5.590 -12.138 18.263 1.00 0.00 H ATOM 558 N GLN A 229 6.359 -14.258 15.784 1.00 27.31 N ATOM 559 CA GLN A 229 6.804 -15.402 15.009 1.00 27.75 C ATOM 560 C GLN A 229 5.811 -16.560 15.139 1.00 34.26 C ATOM 561 O GLN A 229 5.423 -17.178 14.132 1.00 34.80 O ATOM 562 CB GLN A 229 8.212 -15.801 15.445 1.00 30.65 C ATOM 563 CG GLN A 229 8.784 -16.948 14.632 1.00 52.70 C ATOM 564 CD GLN A 229 9.186 -16.509 13.227 1.00 65.34 C ATOM 565 OE1 GLN A 229 9.184 -15.317 12.909 1.00 67.61 O ATOM 566 NE2 GLN A 229 9.546 -17.472 12.386 1.00 71.57 N ATOM 567 HE22 GLN A 229 9.533 -18.465 12.696 1.00 0.00 H ATOM 568 HE21 GLN A 229 9.841 -17.233 11.418 1.00 0.00 H ATOM 569 H GLN A 229 6.916 -13.918 16.593 1.00 0.00 H ATOM 570 N GLY A 230 5.324 -16.813 16.358 1.00 28.49 N ATOM 571 CA GLY A 230 4.325 -17.859 16.529 1.00 34.81 C ATOM 572 C GLY A 230 3.101 -17.633 15.660 1.00 39.79 C ATOM 573 O GLY A 230 2.673 -18.519 14.912 1.00 40.94 O ATOM 574 H GLY A 230 5.656 -16.267 17.178 1.00 0.00 H ATOM 575 N MET A 231 2.577 -16.410 15.675 1.00 32.70 N ATOM 576 CA MET A 231 1.362 -16.143 14.922 1.00 32.36 C ATOM 577 C MET A 231 1.613 -16.248 13.419 1.00 30.28 C ATOM 578 O MET A 231 0.815 -16.846 12.688 1.00 27.45 O ATOM 579 CB MET A 231 0.847 -14.755 15.278 1.00 26.28 C ATOM 580 CG MET A 231 -0.193 -14.236 14.323 1.00 30.37 C ATOM 581 SD MET A 231 -1.787 -15.011 14.584 1.00 47.54 S ATOM 582 CE MET A 231 -2.150 -14.497 16.278 1.00 29.84 C ATOM 583 H MET A 231 3.033 -15.651 16.221 1.00 0.00 H ATOM 584 N LEU A 232 2.752 -15.733 12.958 1.00 24.23 N ATOM 585 CA LEU A 232 3.102 -15.829 11.547 1.00 24.99 C ATOM 586 C LEU A 232 3.135 -17.281 11.088 1.00 31.05 C ATOM 587 O LEU A 232 2.595 -17.622 10.029 1.00 38.09 O ATOM 588 CB LEU A 232 4.453 -15.160 11.292 1.00 32.89 C ATOM 589 CG LEU A 232 4.971 -15.236 9.853 1.00 34.88 C ATOM 590 CD1 LEU A 232 3.975 -14.611 8.880 1.00 34.32 C ATOM 591 CD2 LEU A 232 6.346 -14.586 9.709 1.00 37.06 C ATOM 592 H LEU A 232 3.401 -15.255 13.615 1.00 0.00 H ATOM 593 N ARG A 233 3.752 -18.161 11.880 1.00 28.16 N ATOM 594 CA ARG A 233 3.797 -19.561 11.463 1.00 44.40 C ATOM 595 C ARG A 233 2.411 -20.188 11.484 1.00 47.37 C ATOM 596 O ARG A 233 2.043 -20.900 10.544 1.00 51.75 O ATOM 597 CB ARG A 233 4.745 -20.380 12.340 1.00 51.00 C ATOM 598 CG ARG A 233 6.178 -19.975 12.260 1.00 52.20 C ATOM 599 CD ARG A 233 7.105 -20.959 12.975 1.00 53.24 C ATOM 600 NE ARG A 233 8.447 -20.412 12.893 1.00 62.32 N ATOM 601 CZ ARG A 233 9.517 -20.938 13.460 1.00 69.65 C ATOM 602 NH1 ARG A 233 9.407 -22.049 14.162 1.00 81.45 N ATOM 603 NH2 ARG A 233 10.700 -20.355 13.318 1.00 71.04 N ATOM 604 HE ARG A 233 8.576 -19.538 12.345 1.00 0.00 H ATOM 605 HH12 ARG A 233 10.248 -22.466 14.610 1.00 0.00 H ATOM 606 HH11 ARG A 233 8.480 -22.508 14.267 1.00 0.00 H ATOM 607 HH22 ARG A 233 11.542 -20.771 13.765 1.00 0.00 H ATOM 608 HH21 ARG A 233 10.786 -19.482 12.759 1.00 0.00 H ATOM 609 H ARG A 233 4.190 -17.857 12.773 1.00 0.00 H ATOM 610 N LYS A 234 1.611 -19.903 12.520 1.00 39.68 N ATOM 611 CA LYS A 234 0.262 -20.471 12.578 1.00 39.36 C ATOM 612 C LYS A 234 -0.615 -20.003 11.417 1.00 32.77 C ATOM 613 O LYS A 234 -1.544 -20.723 11.028 1.00 38.23 O ATOM 614 CB LYS A 234 -0.419 -20.135 13.910 1.00 39.91 C ATOM 615 CG LYS A 234 0.068 -20.935 15.088 1.00 42.30 C ATOM 616 CD LYS A 234 -0.784 -20.659 16.307 1.00 55.75 C ATOM 617 CE LYS A 234 0.061 -20.660 17.572 1.00 63.02 C ATOM 618 NZ LYS A 234 -0.436 -19.646 18.548 1.00 66.31 N ATOM 619 HZ1 LYS A 234 -0.391 -18.701 18.117 1.00 0.00 H ATOM 620 HZ2 LYS A 234 -1.420 -19.866 18.803 1.00 0.00 H ATOM 621 HZ3 LYS A 234 0.158 -19.668 19.401 1.00 0.00 H ATOM 622 H LYS A 234 1.947 -19.280 13.282 1.00 0.00 H ATOM 623 N LEU A 235 -0.349 -18.811 10.851 1.00 29.76 N ATOM 624 CA LEU A 235 -1.183 -18.339 9.749 1.00 33.30 C ATOM 625 C LEU A 235 -0.779 -18.941 8.407 1.00 40.73 C ATOM 626 O LEU A 235 -1.610 -18.972 7.493 1.00 48.40 O ATOM 627 CB LEU A 235 -1.147 -16.807 9.618 1.00 29.66 C ATOM 628 CG LEU A 235 -1.404 -15.944 10.837 1.00 36.12 C ATOM 629 CD1 LEU A 235 -0.795 -14.568 10.669 1.00 41.13 C ATOM 630 CD2 LEU A 235 -2.883 -15.843 11.048 1.00 40.08 C ATOM 631 H LEU A 235 0.443 -18.232 11.195 1.00 0.00 H ATOM 632 N ASP A 236 0.437 -19.486 8.305 1.00 38.05 N ATOM 633 CA ASP A 236 0.970 -20.140 7.113 1.00 49.75 C ATOM 634 C ASP A 236 0.609 -19.369 5.837 1.00 48.30 C ATOM 635 O ASP A 236 -0.209 -19.812 5.022 1.00 53.42 O ATOM 636 CB ASP A 236 0.483 -21.597 7.092 1.00 59.67 C ATOM 637 CG ASP A 236 0.885 -22.348 5.824 1.00 71.92 C ATOM 638 OD1 ASP A 236 2.083 -22.291 5.452 1.00 76.73 O ATOM 639 OD2 ASP A 236 0.008 -23.031 5.249 1.00 74.99 O ATOM 640 H ASP A 236 1.053 -19.441 9.142 1.00 0.00 H ATOM 641 N ILE A 237 1.233 -18.212 5.655 1.00 39.92 N ATOM 642 CA ILE A 237 0.965 -17.351 4.515 1.00 39.20 C ATOM 643 C ILE A 237 1.900 -17.728 3.383 1.00 44.51 C ATOM 644 O ILE A 237 3.113 -17.872 3.590 1.00 49.00 O ATOM 645 CB ILE A 237 1.133 -15.874 4.892 1.00 43.84 C ATOM 646 CG1 ILE A 237 0.331 -15.564 6.152 1.00 39.57 C ATOM 647 CG2 ILE A 237 0.688 -14.992 3.741 1.00 51.15 C ATOM 648 CD1 ILE A 237 0.590 -14.187 6.703 1.00 35.73 C ATOM 649 H ILE A 237 1.941 -17.910 6.355 1.00 0.00 H ATOM 650 N LYS A 238 1.334 -17.896 2.183 1.00 47.93 N ATOM 651 CA LYS A 238 2.094 -18.371 1.025 1.00 50.98 C ATOM 652 C LYS A 238 1.763 -17.675 -0.291 1.00 45.12 C ATOM 653 O LYS A 238 2.568 -17.762 -1.227 1.00 44.79 O ATOM 654 CB LYS A 238 1.887 -19.880 0.833 1.00 55.85 C ATOM 655 CG LYS A 238 2.020 -20.729 2.082 1.00 55.66 C ATOM 656 CD LYS A 238 1.532 -22.156 1.820 1.00 63.84 C ATOM 657 CE LYS A 238 0.189 -22.174 1.066 1.00 71.30 C ATOM 658 NZ LYS A 238 -1.000 -21.759 1.885 1.00 70.05 N ATOM 659 HZ1 LYS A 238 -1.102 -22.402 2.696 1.00 0.00 H ATOM 660 HZ2 LYS A 238 -0.861 -20.787 2.228 1.00 0.00 H ATOM 661 HZ3 LYS A 238 -1.857 -21.802 1.297 1.00 0.00 H ATOM 662 H LYS A 238 0.323 -17.683 2.069 1.00 0.00 H ATOM 663 N ASN A 239 0.625 -17.005 -0.418 1.00 41.55 N ATOM 664 CA ASN A 239 0.198 -16.431 -1.687 1.00 45.34 C ATOM 665 C ASN A 239 -0.871 -15.392 -1.373 1.00 40.76 C ATOM 666 O ASN A 239 -1.192 -15.142 -0.209 1.00 37.93 O ATOM 667 CB ASN A 239 -0.311 -17.520 -2.643 1.00 46.97 C ATOM 668 CG ASN A 239 -1.499 -18.297 -2.070 1.00 58.21 C ATOM 669 OD1 ASN A 239 -2.497 -17.703 -1.648 1.00 54.80 O ATOM 670 ND2 ASN A 239 -1.390 -19.627 -2.042 1.00 58.63 N ATOM 671 HD22 ASN A 239 -0.532 -20.086 -2.408 1.00 0.00 H ATOM 672 HD21 ASN A 239 -2.163 -20.204 -1.654 1.00 0.00 H ATOM 673 H ASN A 239 0.017 -16.885 0.417 1.00 0.00 H ATOM 674 N GLU A 240 -1.458 -14.822 -2.427 1.00 46.53 N ATOM 675 CA GLU A 240 -2.381 -13.711 -2.237 1.00 49.71 C ATOM 676 C GLU A 240 -3.738 -14.185 -1.716 1.00 49.07 C ATOM 677 O GLU A 240 -4.407 -13.455 -0.977 1.00 51.48 O ATOM 678 CB GLU A 240 -2.510 -12.928 -3.551 1.00 52.85 C ATOM 679 CG GLU A 240 -3.630 -11.893 -3.557 1.00 62.91 C ATOM 680 CD GLU A 240 -3.627 -11.029 -4.816 1.00 79.49 C ATOM 681 OE1 GLU A 240 -4.692 -10.923 -5.464 1.00 88.78 O ATOM 682 OE2 GLU A 240 -2.583 -10.391 -5.095 1.00 79.57 O ATOM 683 H GLU A 240 -1.256 -15.171 -3.386 1.00 0.00 H ATOM 684 N ASP A 241 -4.134 -15.419 -2.034 1.00 50.06 N ATOM 685 CA ASP A 241 -5.394 -15.942 -1.512 1.00 52.64 C ATOM 686 C ASP A 241 -5.323 -16.120 -0.001 1.00 52.52 C ATOM 687 O ASP A 241 -6.276 -15.791 0.728 1.00 51.40 O ATOM 688 CB ASP A 241 -5.719 -17.262 -2.201 1.00 55.25 C ATOM 689 CG ASP A 241 -6.169 -17.074 -3.635 1.00 68.58 C ATOM 690 OD1 ASP A 241 -7.189 -16.389 -3.862 1.00 74.21 O ATOM 691 OD2 ASP A 241 -5.482 -17.602 -4.535 1.00 72.39 O ATOM 692 H ASP A 241 -3.544 -16.009 -2.655 1.00 0.00 H ATOM 693 N ASP A 242 -4.169 -16.578 0.485 1.00 41.38 N ATOM 694 CA ASP A 242 -3.930 -16.598 1.916 1.00 48.18 C ATOM 695 C ASP A 242 -4.032 -15.197 2.488 1.00 47.88 C ATOM 696 O ASP A 242 -4.623 -14.999 3.553 1.00 51.26 O ATOM 697 CB ASP A 242 -2.559 -17.202 2.218 1.00 47.81 C ATOM 698 CG ASP A 242 -2.429 -18.636 1.743 1.00 52.67 C ATOM 699 OD1 ASP A 242 -3.455 -19.350 1.709 1.00 55.86 O ATOM 700 OD2 ASP A 242 -1.296 -19.043 1.404 1.00 53.41 O ATOM 701 H ASP A 242 -3.435 -16.923 -0.166 1.00 0.00 H ATOM 702 N VAL A 243 -3.486 -14.204 1.782 1.00 52.83 N ATOM 703 CA VAL A 243 -3.557 -12.831 2.278 1.00 56.72 C ATOM 704 C VAL A 243 -5.010 -12.391 2.406 1.00 45.31 C ATOM 705 O VAL A 243 -5.398 -11.755 3.393 1.00 45.49 O ATOM 706 CB VAL A 243 -2.751 -11.881 1.371 1.00 64.93 C ATOM 707 CG1 VAL A 243 -2.980 -10.416 1.779 1.00 58.24 C ATOM 708 CG2 VAL A 243 -1.268 -12.233 1.431 1.00 66.40 C ATOM 709 H VAL A 243 -3.010 -14.407 0.880 1.00 0.00 H ATOM 710 N LYS A 244 -5.847 -12.764 1.444 1.00 43.33 N ATOM 711 CA LYS A 244 -7.254 -12.412 1.557 1.00 50.90 C ATOM 712 C LYS A 244 -7.985 -13.212 2.630 1.00 55.07 C ATOM 713 O LYS A 244 -9.091 -12.816 3.010 1.00 61.03 O ATOM 714 CB LYS A 244 -7.958 -12.581 0.204 1.00 53.56 C ATOM 715 H LYS A 244 -5.501 -13.300 0.622 1.00 0.00 H ATOM 716 N SER A 245 -7.415 -14.314 3.130 1.00 56.56 N ATOM 717 CA SER A 245 -8.051 -15.048 4.230 1.00 57.33 C ATOM 718 C SER A 245 -7.569 -14.616 5.615 1.00 53.73 C ATOM 719 O SER A 245 -7.867 -15.300 6.603 1.00 54.56 O ATOM 720 CB SER A 245 -7.815 -16.553 4.074 1.00 55.55 C ATOM 721 OG SER A 245 -8.153 -16.997 2.773 1.00 57.99 O ATOM 722 HG SER A 245 -7.990 -17.971 2.705 1.00 0.00 H ATOM 723 H SER A 245 -6.514 -14.653 2.736 1.00 0.00 H ATOM 724 N LEU A 246 -6.856 -13.495 5.723 1.00 53.00 N ATOM 725 CA LEU A 246 -6.311 -13.098 7.015 1.00 50.16 C ATOM 726 C LEU A 246 -7.194 -12.127 7.775 1.00 42.83 C ATOM 727 O LEU A 246 -6.990 -11.957 8.979 1.00 40.93 O ATOM 728 CB LEU A 246 -4.937 -12.445 6.863 1.00 45.34 C ATOM 729 CG LEU A 246 -3.757 -13.295 6.435 1.00 45.99 C ATOM 730 CD1 LEU A 246 -2.576 -12.363 6.228 1.00 49.52 C ATOM 731 CD2 LEU A 246 -3.449 -14.382 7.449 1.00 42.36 C ATOM 732 H LEU A 246 -6.688 -12.903 4.884 1.00 0.00 H ATOM 733 N SER A 247 -8.152 -11.479 7.101 1.00 35.85 N ATOM 734 CA SER A 247 -8.939 -10.435 7.748 1.00 38.80 C ATOM 735 C SER A 247 -9.707 -10.969 8.952 1.00 43.07 C ATOM 736 O SER A 247 -9.977 -10.214 9.887 1.00 42.10 O ATOM 737 CB SER A 247 -9.897 -9.779 6.751 1.00 34.28 C ATOM 738 OG SER A 247 -10.735 -10.744 6.155 1.00 55.94 O ATOM 739 HG SER A 247 -11.345 -10.299 5.515 1.00 0.00 H ATOM 740 H SER A 247 -8.337 -11.722 6.107 1.00 0.00 H ATOM 741 N ARG A 248 -10.073 -12.254 8.947 1.00 43.75 N ATOM 742 CA ARG A 248 -10.944 -12.781 9.998 1.00 42.06 C ATOM 743 C ARG A 248 -10.218 -12.886 11.332 1.00 34.91 C ATOM 744 O ARG A 248 -10.761 -12.501 12.376 1.00 29.67 O ATOM 745 CB ARG A 248 -11.480 -14.155 9.595 1.00 46.66 C ATOM 746 CG ARG A 248 -12.392 -14.166 8.407 1.00 54.47 C ATOM 747 CD ARG A 248 -13.778 -14.574 8.882 1.00 60.75 C ATOM 748 NE ARG A 248 -14.841 -14.168 7.974 1.00 54.64 N ATOM 749 CZ ARG A 248 -15.121 -14.789 6.840 1.00 61.84 C ATOM 750 NH1 ARG A 248 -14.412 -15.851 6.485 1.00 67.26 N ATOM 751 NH2 ARG A 248 -16.106 -14.347 6.063 1.00 66.27 N ATOM 752 HE ARG A 248 -15.415 -13.340 8.232 1.00 0.00 H ATOM 753 HH12 ARG A 248 -14.626 -16.345 5.595 1.00 0.00 H ATOM 754 HH11 ARG A 248 -13.642 -16.190 7.096 1.00 0.00 H ATOM 755 HH22 ARG A 248 -16.325 -14.836 5.172 1.00 0.00 H ATOM 756 HH21 ARG A 248 -16.657 -13.512 6.347 1.00 0.00 H ATOM 757 H ARG A 248 -9.737 -12.884 8.191 1.00 0.00 H ATOM 758 N VAL A 249 -9.004 -13.439 11.321 1.00 24.69 N ATOM 759 CA VAL A 249 -8.195 -13.504 12.532 1.00 38.74 C ATOM 760 C VAL A 249 -7.781 -12.104 12.965 1.00 28.24 C ATOM 761 O VAL A 249 -7.813 -11.774 14.156 1.00 27.17 O ATOM 762 CB VAL A 249 -6.998 -14.453 12.324 1.00 44.89 C ATOM 763 CG1 VAL A 249 -6.297 -14.150 11.026 1.00 43.67 C ATOM 764 CG2 VAL A 249 -6.027 -14.366 13.495 1.00 45.67 C ATOM 765 H VAL A 249 -8.628 -13.830 10.434 1.00 0.00 H ATOM 766 N MET A 250 -7.377 -11.268 12.005 1.00 23.31 N ATOM 767 CA MET A 250 -7.067 -9.870 12.286 1.00 31.62 C ATOM 768 C MET A 250 -8.210 -9.195 13.044 1.00 27.85 C ATOM 769 O MET A 250 -8.016 -8.620 14.121 1.00 31.55 O ATOM 770 CB MET A 250 -6.805 -9.158 10.965 1.00 30.95 C ATOM 771 CG MET A 250 -5.776 -8.082 11.018 1.00 33.63 C ATOM 772 SD MET A 250 -5.647 -7.300 9.399 1.00 37.89 S ATOM 773 CE MET A 250 -6.127 -5.697 9.930 1.00 45.76 C ATOM 774 H MET A 250 -7.281 -11.623 11.032 1.00 0.00 H ATOM 775 N ILE A 251 -9.424 -9.314 12.513 1.00 26.13 N ATOM 776 CA ILE A 251 -10.597 -8.725 13.143 1.00 37.07 C ATOM 777 C ILE A 251 -10.813 -9.319 14.529 1.00 35.57 C ATOM 778 O ILE A 251 -11.092 -8.592 15.492 1.00 28.78 O ATOM 779 CB ILE A 251 -11.825 -8.920 12.233 1.00 39.72 C ATOM 780 CG1 ILE A 251 -11.814 -7.878 11.119 1.00 44.51 C ATOM 781 CG2 ILE A 251 -13.106 -8.820 13.037 1.00 34.06 C ATOM 782 CD1 ILE A 251 -12.681 -8.225 9.940 1.00 51.42 C ATOM 783 H ILE A 251 -9.538 -9.842 11.624 1.00 0.00 H ATOM 784 N HIS A 252 -10.666 -10.645 14.658 1.00 28.63 N ATOM 785 CA HIS A 252 -10.844 -11.277 15.969 1.00 33.76 C ATOM 786 C HIS A 252 -9.894 -10.680 17.013 1.00 26.18 C ATOM 787 O HIS A 252 -10.326 -10.276 18.096 1.00 28.02 O ATOM 788 CB HIS A 252 -10.654 -12.792 15.860 1.00 28.29 C ATOM 789 CG HIS A 252 -10.778 -13.500 17.173 1.00 34.31 C ATOM 790 ND1 HIS A 252 -11.982 -13.657 17.824 1.00 32.60 N ATOM 791 CD2 HIS A 252 -9.838 -14.053 17.976 1.00 30.36 C ATOM 792 CE1 HIS A 252 -11.779 -14.291 18.963 1.00 34.15 C ATOM 793 NE2 HIS A 252 -10.488 -14.543 19.079 1.00 44.11 N ATOM 794 H HIS A 252 -10.426 -11.225 13.829 1.00 0.00 H ATOM 795 N VAL A 253 -8.602 -10.585 16.684 1.00 29.93 N ATOM 796 CA VAL A 253 -7.574 -10.106 17.614 1.00 33.92 C ATOM 797 C VAL A 253 -7.673 -8.599 17.868 1.00 32.49 C ATOM 798 O VAL A 253 -7.242 -8.116 18.917 1.00 28.28 O ATOM 799 CB VAL A 253 -6.171 -10.490 17.086 1.00 28.91 C ATOM 800 CG1 VAL A 253 -5.058 -9.994 18.021 1.00 21.94 C ATOM 801 CG2 VAL A 253 -6.061 -11.999 16.899 1.00 25.03 C ATOM 802 H VAL A 253 -8.312 -10.863 15.725 1.00 0.00 H ATOM 803 N PHE A 254 -8.229 -7.829 16.937 1.00 40.51 N ATOM 804 CA PHE A 254 -8.171 -6.377 17.049 1.00 33.77 C ATOM 805 C PHE A 254 -9.466 -5.728 17.531 1.00 33.68 C ATOM 806 O PHE A 254 -9.410 -4.686 18.180 1.00 29.60 O ATOM 807 CB PHE A 254 -7.822 -5.776 15.678 1.00 28.64 C ATOM 808 CG PHE A 254 -7.624 -4.270 15.682 1.00 28.39 C ATOM 809 CD1 PHE A 254 -8.437 -3.455 14.891 1.00 29.17 C ATOM 810 CD2 PHE A 254 -6.649 -3.676 16.479 1.00 23.33 C ATOM 811 CE1 PHE A 254 -8.272 -2.074 14.876 1.00 24.93 C ATOM 812 CE2 PHE A 254 -6.462 -2.294 16.465 1.00 28.27 C ATOM 813 CZ PHE A 254 -7.291 -1.489 15.664 1.00 20.13 C ATOM 814 H PHE A 254 -8.708 -8.266 16.124 1.00 0.00 H ATOM 815 N SER A 255 -10.629 -6.318 17.257 1.00 42.74 N ATOM 816 CA SER A 255 -11.874 -5.551 17.323 1.00 47.70 C ATOM 817 C SER A 255 -12.332 -5.308 18.757 1.00 53.44 C ATOM 818 O SER A 255 -12.604 -4.166 19.149 1.00 67.11 O ATOM 819 CB SER A 255 -12.969 -6.260 16.531 1.00 50.07 C ATOM 820 OG SER A 255 -13.575 -7.253 17.335 1.00 63.41 O ATOM 821 HG SER A 255 -14.284 -7.709 16.816 1.00 0.00 H ATOM 822 H SER A 255 -10.652 -7.324 16.996 1.00 0.00 H ATOM 823 N ASP A 256 -12.465 -6.367 19.546 1.00 43.92 N ATOM 824 CA ASP A 256 -13.122 -6.239 20.839 1.00 43.11 C ATOM 825 C ASP A 256 -12.191 -5.649 21.893 1.00 50.60 C ATOM 826 O ASP A 256 -10.973 -5.835 21.871 1.00 51.95 O ATOM 827 CB ASP A 256 -13.644 -7.596 21.314 1.00 41.93 C ATOM 828 H ASP A 256 -12.099 -7.291 19.240 1.00 0.00 H ATOM 829 N GLY A 257 -12.785 -4.931 22.826 1.00 62.20 N ATOM 830 CA GLY A 257 -12.066 -4.406 23.959 1.00 58.45 C ATOM 831 C GLY A 257 -11.724 -2.934 23.827 1.00 52.57 C ATOM 832 O GLY A 257 -12.312 -2.172 23.054 1.00 48.58 O ATOM 833 H GLY A 257 -13.803 -4.738 22.742 1.00 0.00 H ATOM 834 N VAL A 258 -10.721 -2.554 24.592 1.00 48.28 N ATOM 835 CA VAL A 258 -10.288 -1.166 24.631 1.00 46.58 C ATOM 836 C VAL A 258 -9.511 -0.854 23.364 1.00 44.75 C ATOM 837 O VAL A 258 -8.745 -1.685 22.860 1.00 49.38 O ATOM 838 CB VAL A 258 -9.438 -0.913 25.889 1.00 45.20 C ATOM 839 CG1 VAL A 258 -9.086 0.565 26.027 1.00 41.48 C ATOM 840 CG2 VAL A 258 -10.173 -1.413 27.119 1.00 53.87 C ATOM 841 H VAL A 258 -10.230 -3.259 25.178 1.00 0.00 H ATOM 842 N THR A 259 -9.718 0.343 22.840 1.00 34.74 N ATOM 843 CA THR A 259 -8.925 0.874 21.744 1.00 33.12 C ATOM 844 C THR A 259 -8.025 1.966 22.304 1.00 34.77 C ATOM 845 O THR A 259 -8.488 2.830 23.055 1.00 34.04 O ATOM 846 CB THR A 259 -9.811 1.443 20.628 1.00 35.49 C ATOM 847 OG1 THR A 259 -10.813 0.481 20.268 1.00 40.25 O ATOM 848 CG2 THR A 259 -8.986 1.797 19.393 1.00 30.16 C ATOM 849 HG1 THR A 259 -11.382 0.852 19.548 1.00 0.00 H ATOM 850 H THR A 259 -10.483 0.930 23.230 1.00 0.00 H ATOM 851 N ASN A 260 -6.739 1.897 21.984 1.00 31.22 N ATOM 852 CA ASN A 260 -5.836 3.009 22.227 1.00 26.62 C ATOM 853 C ASN A 260 -4.836 3.031 21.086 1.00 28.95 C ATOM 854 O ASN A 260 -4.794 2.111 20.264 1.00 33.67 O ATOM 855 CB ASN A 260 -5.166 2.923 23.617 1.00 30.17 C ATOM 856 CG ASN A 260 -4.271 1.701 23.794 1.00 32.31 C ATOM 857 OD1 ASN A 260 -3.817 1.089 22.830 1.00 29.25 O ATOM 858 ND2 ASN A 260 -4.042 1.324 25.052 1.00 35.87 N ATOM 859 HD22 ASN A 260 -4.445 1.870 25.840 1.00 0.00 H ATOM 860 HD21 ASN A 260 -3.460 0.484 25.245 1.00 0.00 H ATOM 861 H ASN A 260 -6.369 1.027 21.550 1.00 0.00 H ATOM 862 N TRP A 261 -4.021 4.089 21.035 1.00 30.78 N ATOM 863 CA TRP A 261 -3.097 4.248 19.912 1.00 32.44 C ATOM 864 C TRP A 261 -2.051 3.137 19.860 1.00 33.20 C ATOM 865 O TRP A 261 -1.643 2.717 18.763 1.00 26.28 O ATOM 866 CB TRP A 261 -2.414 5.620 19.982 1.00 27.73 C ATOM 867 CG TRP A 261 -3.239 6.741 19.445 1.00 20.51 C ATOM 868 CD1 TRP A 261 -3.671 7.849 20.123 1.00 24.92 C ATOM 869 CD2 TRP A 261 -3.748 6.860 18.112 1.00 23.13 C ATOM 870 NE1 TRP A 261 -4.415 8.662 19.282 1.00 25.79 N ATOM 871 CE2 TRP A 261 -4.472 8.079 18.043 1.00 24.42 C ATOM 872 CE3 TRP A 261 -3.671 6.055 16.972 1.00 21.69 C ATOM 873 CZ2 TRP A 261 -5.107 8.508 16.873 1.00 19.90 C ATOM 874 CZ3 TRP A 261 -4.303 6.483 15.813 1.00 27.53 C ATOM 875 CH2 TRP A 261 -5.013 7.698 15.774 1.00 26.82 C ATOM 876 HE1 TRP A 261 -4.857 9.565 19.547 1.00 0.00 H ATOM 877 H TRP A 261 -4.044 4.800 21.794 1.00 0.00 H ATOM 878 N GLY A 262 -1.606 2.656 21.026 1.00 25.97 N ATOM 879 CA GLY A 262 -0.659 1.553 21.055 1.00 21.31 C ATOM 880 C GLY A 262 -1.197 0.290 20.402 1.00 24.95 C ATOM 881 O GLY A 262 -0.470 -0.419 19.705 1.00 24.51 O ATOM 882 H GLY A 262 -1.940 3.074 21.918 1.00 0.00 H ATOM 883 N ARG A 263 -2.475 -0.020 20.642 1.00 28.03 N ATOM 884 CA ARG A 263 -3.093 -1.151 19.957 1.00 24.66 C ATOM 885 C ARG A 263 -3.013 -0.971 18.447 1.00 21.07 C ATOM 886 O ARG A 263 -2.729 -1.924 17.708 1.00 18.09 O ATOM 887 CB ARG A 263 -4.553 -1.293 20.389 1.00 27.95 C ATOM 888 CG ARG A 263 -5.301 -2.518 19.804 1.00 32.49 C ATOM 889 CD ARG A 263 -6.180 -3.175 20.849 1.00 28.78 C ATOM 890 NE ARG A 263 -6.542 -4.558 20.589 1.00 32.48 N ATOM 891 CZ ARG A 263 -7.705 -5.087 20.967 1.00 39.74 C ATOM 892 NH1 ARG A 263 -8.587 -4.327 21.600 1.00 40.43 N ATOM 893 NH2 ARG A 263 -7.986 -6.372 20.752 1.00 30.67 N ATOM 894 HE ARG A 263 -5.862 -5.163 20.085 1.00 0.00 H ATOM 895 HH12 ARG A 263 -9.498 -4.728 21.900 1.00 0.00 H ATOM 896 HH11 ARG A 263 -8.368 -3.330 21.797 1.00 0.00 H ATOM 897 HH22 ARG A 263 -8.901 -6.762 21.056 1.00 0.00 H ATOM 898 HH21 ARG A 263 -7.290 -6.984 20.280 1.00 0.00 H ATOM 899 H ARG A 263 -3.029 0.545 21.317 1.00 0.00 H ATOM 900 N ILE A 264 -3.248 0.250 17.968 1.00 15.91 N ATOM 901 CA ILE A 264 -3.245 0.485 16.529 1.00 30.91 C ATOM 902 C ILE A 264 -1.831 0.352 15.965 1.00 26.67 C ATOM 903 O ILE A 264 -1.622 -0.261 14.905 1.00 26.28 O ATOM 904 CB ILE A 264 -3.893 1.850 16.226 1.00 30.12 C ATOM 905 CG1 ILE A 264 -5.400 1.757 16.496 1.00 27.49 C ATOM 906 CG2 ILE A 264 -3.607 2.301 14.801 1.00 26.38 C ATOM 907 CD1 ILE A 264 -6.109 3.072 16.516 1.00 31.77 C ATOM 908 H ILE A 264 -3.434 1.037 18.622 1.00 0.00 H ATOM 909 N VAL A 265 -0.833 0.869 16.695 1.00 30.60 N ATOM 910 CA VAL A 265 0.556 0.654 16.299 1.00 24.49 C ATOM 911 C VAL A 265 0.891 -0.821 16.276 1.00 20.96 C ATOM 912 O VAL A 265 1.659 -1.260 15.423 1.00 19.34 O ATOM 913 CB VAL A 265 1.532 1.411 17.227 1.00 30.15 C ATOM 914 CG1 VAL A 265 2.987 1.174 16.794 1.00 20.01 C ATOM 915 CG2 VAL A 265 1.236 2.900 17.200 1.00 35.75 C ATOM 916 H VAL A 265 -1.049 1.425 17.547 1.00 0.00 H ATOM 917 N THR A 266 0.285 -1.621 17.158 1.00 23.36 N ATOM 918 CA THR A 266 0.598 -3.045 17.168 1.00 21.32 C ATOM 919 C THR A 266 0.015 -3.736 15.945 1.00 20.30 C ATOM 920 O THR A 266 0.701 -4.529 15.291 1.00 24.17 O ATOM 921 CB THR A 266 0.075 -3.677 18.456 1.00 24.05 C ATOM 922 OG1 THR A 266 0.503 -2.871 19.541 1.00 19.72 O ATOM 923 CG2 THR A 266 0.633 -5.085 18.653 1.00 17.35 C ATOM 924 HG1 THR A 266 0.139 -1.956 19.435 1.00 0.00 H ATOM 925 H THR A 266 -0.404 -1.231 17.832 1.00 0.00 H ATOM 926 N LEU A 267 -1.240 -3.416 15.610 1.00 18.96 N ATOM 927 CA LEU A 267 -1.832 -3.814 14.336 1.00 23.34 C ATOM 928 C LEU A 267 -0.885 -3.546 13.166 1.00 26.79 C ATOM 929 O LEU A 267 -0.552 -4.450 12.378 1.00 23.11 O ATOM 930 CB LEU A 267 -3.140 -3.046 14.125 1.00 19.89 C ATOM 931 CG LEU A 267 -3.877 -3.319 12.818 1.00 19.71 C ATOM 932 CD1 LEU A 267 -4.561 -4.623 12.915 1.00 15.41 C ATOM 933 CD2 LEU A 267 -4.849 -2.199 12.486 1.00 15.99 C ATOM 934 H LEU A 267 -1.814 -2.865 16.280 1.00 0.00 H ATOM 935 N ILE A 268 -0.471 -2.288 13.016 1.00 19.99 N ATOM 936 CA ILE A 268 0.354 -1.949 11.861 1.00 28.04 C ATOM 937 C ILE A 268 1.699 -2.658 11.943 1.00 30.58 C ATOM 938 O ILE A 268 2.248 -3.102 10.920 1.00 21.75 O ATOM 939 CB ILE A 268 0.521 -0.422 11.758 1.00 27.17 C ATOM 940 CG1 ILE A 268 -0.837 0.234 11.547 1.00 14.00 C ATOM 941 CG2 ILE A 268 1.507 -0.051 10.647 1.00 13.16 C ATOM 942 CD1 ILE A 268 -0.847 1.704 11.830 1.00 15.58 C ATOM 943 H ILE A 268 -0.732 -1.560 13.711 1.00 0.00 H ATOM 944 N SER A 269 2.230 -2.810 13.166 1.00 21.38 N ATOM 945 CA SER A 269 3.562 -3.375 13.356 1.00 22.26 C ATOM 946 C SER A 269 3.601 -4.839 12.946 1.00 27.50 C ATOM 947 O SER A 269 4.535 -5.282 12.262 1.00 33.68 O ATOM 948 CB SER A 269 4.004 -3.233 14.814 1.00 16.63 C ATOM 949 OG SER A 269 4.424 -1.918 15.093 1.00 32.02 O ATOM 950 HG SER A 269 3.676 -1.292 14.927 1.00 0.00 H ATOM 951 H SER A 269 1.679 -2.518 13.998 1.00 0.00 H ATOM 952 N PHE A 270 2.608 -5.612 13.374 1.00 21.48 N ATOM 953 CA PHE A 270 2.539 -6.975 12.887 1.00 24.99 C ATOM 954 C PHE A 270 2.316 -6.993 11.387 1.00 14.77 C ATOM 955 O PHE A 270 2.838 -7.876 10.698 1.00 25.78 O ATOM 956 CB PHE A 270 1.460 -7.770 13.616 1.00 15.72 C ATOM 957 CG PHE A 270 1.491 -9.216 13.289 1.00 24.13 C ATOM 958 CD1 PHE A 270 2.618 -9.969 13.576 1.00 26.56 C ATOM 959 CD2 PHE A 270 0.431 -9.815 12.632 1.00 22.21 C ATOM 960 CE1 PHE A 270 2.676 -11.306 13.242 1.00 30.48 C ATOM 961 CE2 PHE A 270 0.478 -11.161 12.298 1.00 23.52 C ATOM 962 CZ PHE A 270 1.605 -11.905 12.605 1.00 24.59 C ATOM 963 H PHE A 270 1.899 -5.248 14.042 1.00 0.00 H ATOM 964 N GLY A 271 1.549 -6.031 10.867 1.00 20.02 N ATOM 965 CA GLY A 271 1.502 -5.854 9.419 1.00 22.92 C ATOM 966 C GLY A 271 2.884 -5.792 8.779 1.00 22.67 C ATOM 967 O GLY A 271 3.153 -6.471 7.786 1.00 29.66 O ATOM 968 H GLY A 271 0.990 -5.413 11.489 1.00 0.00 H ATOM 969 N ALA A 272 3.792 -5.000 9.367 1.00 19.19 N ATOM 970 CA ALA A 272 5.148 -4.861 8.833 1.00 20.83 C ATOM 971 C ALA A 272 5.938 -6.158 8.964 1.00 25.11 C ATOM 972 O ALA A 272 6.697 -6.534 8.057 1.00 24.21 O ATOM 973 CB ALA A 272 5.884 -3.727 9.558 1.00 21.05 C ATOM 974 H ALA A 272 3.527 -4.472 10.223 1.00 0.00 H ATOM 975 N PHE A 273 5.796 -6.829 10.106 1.00 19.98 N ATOM 976 CA PHE A 273 6.414 -8.132 10.312 1.00 26.98 C ATOM 977 C PHE A 273 6.024 -9.099 9.190 1.00 26.15 C ATOM 978 O PHE A 273 6.880 -9.763 8.571 1.00 22.95 O ATOM 979 CB PHE A 273 5.968 -8.647 11.687 1.00 26.59 C ATOM 980 CG PHE A 273 6.764 -9.803 12.205 1.00 26.38 C ATOM 981 CD1 PHE A 273 7.941 -9.591 12.896 1.00 36.03 C ATOM 982 CD2 PHE A 273 6.323 -11.097 12.032 1.00 25.66 C ATOM 983 CE1 PHE A 273 8.679 -10.661 13.394 1.00 35.96 C ATOM 984 CE2 PHE A 273 7.058 -12.157 12.517 1.00 29.48 C ATOM 985 CZ PHE A 273 8.234 -11.934 13.204 1.00 30.03 C ATOM 986 H PHE A 273 5.229 -6.411 10.871 1.00 0.00 H ATOM 987 N VAL A 274 4.722 -9.144 8.887 1.00 21.67 N ATOM 988 CA VAL A 274 4.210 -10.023 7.843 1.00 22.56 C ATOM 989 C VAL A 274 4.696 -9.578 6.467 1.00 26.55 C ATOM 990 O VAL A 274 5.054 -10.413 5.623 1.00 23.81 O ATOM 991 CB VAL A 274 2.678 -10.080 7.927 1.00 23.52 C ATOM 992 CG1 VAL A 274 2.119 -10.827 6.730 1.00 20.86 C ATOM 993 CG2 VAL A 274 2.240 -10.708 9.278 1.00 16.47 C ATOM 994 H VAL A 274 4.059 -8.537 9.409 1.00 0.00 H ATOM 995 N ALA A 275 4.746 -8.259 6.226 1.00 22.98 N ATOM 996 CA ALA A 275 5.226 -7.760 4.935 1.00 25.66 C ATOM 997 C ALA A 275 6.671 -8.174 4.688 1.00 29.97 C ATOM 998 O ALA A 275 7.025 -8.626 3.586 1.00 22.69 O ATOM 999 CB ALA A 275 5.093 -6.237 4.872 1.00 22.36 C ATOM 1000 H ALA A 275 4.442 -7.587 6.960 1.00 0.00 H ATOM 1001 N LYS A 276 7.515 -8.061 5.718 1.00 24.67 N ATOM 1002 CA LYS A 276 8.872 -8.575 5.601 1.00 31.56 C ATOM 1003 C LYS A 276 8.870 -10.051 5.212 1.00 29.63 C ATOM 1004 O LYS A 276 9.637 -10.471 4.325 1.00 27.41 O ATOM 1005 CB LYS A 276 9.631 -8.341 6.907 1.00 23.56 C ATOM 1006 CG LYS A 276 10.015 -6.882 7.074 1.00 35.43 C ATOM 1007 CD LYS A 276 11.001 -6.639 8.207 1.00 48.35 C ATOM 1008 CE LYS A 276 10.320 -6.506 9.552 1.00 50.87 C ATOM 1009 NZ LYS A 276 11.218 -5.818 10.519 1.00 54.26 N ATOM 1010 HZ1 LYS A 276 12.091 -6.371 10.633 1.00 0.00 H ATOM 1011 HZ2 LYS A 276 11.451 -4.870 10.160 1.00 0.00 H ATOM 1012 HZ3 LYS A 276 10.737 -5.734 11.437 1.00 0.00 H ATOM 1013 H LYS A 276 7.203 -7.607 6.600 1.00 0.00 H ATOM 1014 N HIS A 277 8.003 -10.852 5.851 1.00 27.74 N ATOM 1015 CA HIS A 277 7.948 -12.271 5.500 1.00 32.56 C ATOM 1016 C HIS A 277 7.578 -12.462 4.028 1.00 36.28 C ATOM 1017 O HIS A 277 8.204 -13.255 3.310 1.00 33.56 O ATOM 1018 CB HIS A 277 6.961 -13.004 6.408 1.00 24.35 C ATOM 1019 CG HIS A 277 6.690 -14.416 5.992 1.00 20.27 C ATOM 1020 ND1 HIS A 277 7.485 -15.467 6.387 1.00 23.27 N ATOM 1021 CD2 HIS A 277 5.720 -14.950 5.213 1.00 25.60 C ATOM 1022 CE1 HIS A 277 7.010 -16.592 5.881 1.00 27.55 C ATOM 1023 NE2 HIS A 277 5.943 -16.306 5.158 1.00 27.73 N ATOM 1024 H HIS A 277 7.377 -10.468 6.588 1.00 0.00 H ATOM 1025 N LEU A 278 6.563 -11.732 3.563 1.00 39.85 N ATOM 1026 CA LEU A 278 6.091 -11.884 2.190 1.00 32.76 C ATOM 1027 C LEU A 278 7.198 -11.570 1.192 1.00 33.39 C ATOM 1028 O LEU A 278 7.334 -12.242 0.156 1.00 26.25 O ATOM 1029 CB LEU A 278 4.892 -10.963 1.963 1.00 29.17 C ATOM 1030 CG LEU A 278 3.632 -11.270 2.779 1.00 27.07 C ATOM 1031 CD1 LEU A 278 2.684 -10.083 2.745 1.00 26.04 C ATOM 1032 CD2 LEU A 278 2.949 -12.527 2.256 1.00 23.66 C ATOM 1033 H LEU A 278 6.100 -11.043 4.189 1.00 0.00 H ATOM 1034 N LYS A 279 7.997 -10.543 1.489 1.00 25.31 N ATOM 1035 CA LYS A 279 9.134 -10.229 0.637 1.00 25.86 C ATOM 1036 C LYS A 279 10.158 -11.366 0.652 1.00 30.72 C ATOM 1037 O LYS A 279 10.749 -11.690 -0.382 1.00 33.55 O ATOM 1038 CB LYS A 279 9.741 -8.898 1.082 1.00 27.66 C ATOM 1039 CG LYS A 279 11.186 -8.639 0.681 1.00 34.38 C ATOM 1040 CD LYS A 279 11.346 -8.338 -0.776 1.00 39.28 C ATOM 1041 CE LYS A 279 12.825 -8.349 -1.128 1.00 53.10 C ATOM 1042 NZ LYS A 279 13.109 -7.667 -2.414 1.00 54.80 N ATOM 1043 HZ1 LYS A 279 12.594 -8.146 -3.180 1.00 0.00 H ATOM 1044 HZ2 LYS A 279 12.801 -6.675 -2.354 1.00 0.00 H ATOM 1045 HZ3 LYS A 279 14.130 -7.703 -2.606 1.00 0.00 H ATOM 1046 H LYS A 279 7.806 -9.965 2.332 1.00 0.00 H ATOM 1047 N THR A 280 10.374 -12.001 1.809 1.00 36.47 N ATOM 1048 CA THR A 280 11.349 -13.093 1.821 1.00 39.04 C ATOM 1049 C THR A 280 10.902 -14.310 1.003 1.00 37.51 C ATOM 1050 O THR A 280 11.752 -14.996 0.423 1.00 33.34 O ATOM 1051 CB THR A 280 11.675 -13.506 3.254 1.00 33.65 C ATOM 1052 OG1 THR A 280 11.931 -12.327 4.022 1.00 28.56 O ATOM 1053 CG2 THR A 280 12.917 -14.382 3.279 1.00 26.67 C ATOM 1054 HG1 THR A 280 11.128 -11.747 4.012 1.00 0.00 H ATOM 1055 H THR A 280 9.865 -11.727 2.674 1.00 0.00 H ATOM 1056 N ILE A 281 9.601 -14.614 0.936 1.00 35.21 N ATOM 1057 CA ILE A 281 9.179 -15.783 0.154 1.00 28.12 C ATOM 1058 C ILE A 281 8.772 -15.360 -1.248 1.00 27.51 C ATOM 1059 O ILE A 281 8.004 -16.048 -1.922 1.00 33.84 O ATOM 1060 CB ILE A 281 8.041 -16.554 0.834 1.00 27.39 C ATOM 1061 CG1 ILE A 281 6.766 -15.710 0.938 1.00 32.77 C ATOM 1062 CG2 ILE A 281 8.477 -16.955 2.233 1.00 31.41 C ATOM 1063 CD1 ILE A 281 5.550 -16.517 1.371 1.00 23.97 C ATOM 1064 H ILE A 281 8.897 -14.030 1.431 1.00 0.00 H ATOM 1065 N ASN A 282 9.327 -14.245 -1.694 1.00 35.07 N ATOM 1066 CA ASN A 282 9.053 -13.617 -2.987 1.00 36.55 C ATOM 1067 C ASN A 282 7.546 -13.586 -3.301 1.00 38.34 C ATOM 1068 O ASN A 282 7.032 -14.151 -4.273 1.00 42.80 O ATOM 1069 CB ASN A 282 9.900 -14.295 -4.069 1.00 41.42 C ATOM 1070 CG ASN A 282 9.603 -13.790 -5.453 1.00 59.77 C ATOM 1071 OD1 ASN A 282 8.588 -14.110 -6.043 1.00 72.79 O ATOM 1072 ND2 ASN A 282 10.456 -12.897 -5.938 1.00 64.09 N ATOM 1073 HD22 ASN A 282 11.313 -12.651 -5.402 1.00 0.00 H ATOM 1074 HD21 ASN A 282 10.268 -12.443 -6.854 1.00 0.00 H ATOM 1075 H ASN A 282 10.016 -13.775 -1.073 1.00 0.00 H ATOM 1076 N GLN A 283 6.835 -12.885 -2.430 1.00 36.99 N ATOM 1077 CA GLN A 283 5.422 -12.589 -2.606 1.00 38.82 C ATOM 1078 C GLN A 283 5.171 -11.110 -2.371 1.00 36.63 C ATOM 1079 O GLN A 283 4.178 -10.714 -1.751 1.00 40.18 O ATOM 1080 CB GLN A 283 4.561 -13.446 -1.683 1.00 31.72 C ATOM 1081 CG GLN A 283 4.599 -14.898 -2.043 1.00 31.40 C ATOM 1082 CD GLN A 283 3.824 -15.199 -3.308 1.00 43.28 C ATOM 1083 OE1 GLN A 283 3.004 -14.405 -3.755 1.00 47.73 O ATOM 1084 NE2 GLN A 283 4.109 -16.339 -3.913 1.00 52.35 N ATOM 1085 HE22 GLN A 283 4.811 -16.985 -3.500 1.00 0.00 H ATOM 1086 HE21 GLN A 283 3.631 -16.590 -4.802 1.00 0.00 H ATOM 1087 H GLN A 283 7.312 -12.528 -1.577 1.00 0.00 H ATOM 1088 N GLU A 284 6.113 -10.280 -2.827 1.00 30.86 N ATOM 1089 CA GLU A 284 5.991 -8.829 -2.692 1.00 31.99 C ATOM 1090 C GLU A 284 4.639 -8.304 -3.167 1.00 37.55 C ATOM 1091 O GLU A 284 4.096 -7.356 -2.582 1.00 35.25 O ATOM 1092 CB GLU A 284 7.132 -8.137 -3.430 1.00 36.38 C ATOM 1093 CG GLU A 284 7.532 -6.853 -2.766 1.00 48.90 C ATOM 1094 CD GLU A 284 8.818 -6.267 -3.313 1.00 66.13 C ATOM 1095 OE1 GLU A 284 8.866 -5.019 -3.470 1.00 66.64 O ATOM 1096 OE2 GLU A 284 9.768 -7.052 -3.558 1.00 57.43 O ATOM 1097 H GLU A 284 6.956 -10.676 -3.290 1.00 0.00 H ATOM 1098 N SER A 285 4.091 -8.881 -4.242 1.00 38.24 N ATOM 1099 CA SER A 285 2.786 -8.452 -4.750 1.00 42.06 C ATOM 1100 C SER A 285 1.676 -8.577 -3.707 1.00 40.26 C ATOM 1101 O SER A 285 0.606 -7.990 -3.886 1.00 40.11 O ATOM 1102 CB SER A 285 2.399 -9.235 -6.012 1.00 48.88 C ATOM 1103 OG SER A 285 1.993 -10.558 -5.705 1.00 51.50 O ATOM 1104 HG SER A 285 1.208 -10.530 -5.103 1.00 0.00 H ATOM 1105 H SER A 285 4.601 -9.648 -4.726 1.00 0.00 H ATOM 1106 N CYS A 286 1.877 -9.366 -2.650 1.00 40.94 N ATOM 1107 CA CYS A 286 0.861 -9.460 -1.609 1.00 39.46 C ATOM 1108 C CYS A 286 0.949 -8.345 -0.577 1.00 31.14 C ATOM 1109 O CYS A 286 0.052 -8.232 0.259 1.00 33.57 O ATOM 1110 CB CYS A 286 0.957 -10.798 -0.887 1.00 41.90 C ATOM 1111 SG CYS A 286 0.652 -12.161 -1.982 1.00 54.80 S ATOM 1112 H CYS A 286 2.758 -9.913 -2.569 1.00 0.00 H ATOM 1113 N ILE A 287 1.983 -7.511 -0.620 1.00 34.48 N ATOM 1114 CA ILE A 287 2.133 -6.487 0.409 1.00 34.41 C ATOM 1115 C ILE A 287 1.018 -5.452 0.303 1.00 27.64 C ATOM 1116 O ILE A 287 0.447 -5.019 1.314 1.00 21.29 O ATOM 1117 CB ILE A 287 3.526 -5.845 0.313 1.00 33.48 C ATOM 1118 CG1 ILE A 287 4.585 -6.874 0.711 1.00 39.07 C ATOM 1119 CG2 ILE A 287 3.610 -4.631 1.203 1.00 28.75 C ATOM 1120 CD1 ILE A 287 6.000 -6.412 0.452 1.00 39.21 C ATOM 1121 H ILE A 287 2.683 -7.588 -1.385 1.00 0.00 H ATOM 1122 N GLU A 288 0.653 -5.080 -0.905 1.00 23.12 N ATOM 1123 CA GLU A 288 -0.335 -4.013 -0.969 1.00 24.51 C ATOM 1124 C GLU A 288 -1.755 -4.517 -0.705 1.00 26.98 C ATOM 1125 O GLU A 288 -2.558 -3.773 -0.126 1.00 32.00 O ATOM 1126 CB GLU A 288 -0.232 -3.295 -2.319 1.00 26.48 C ATOM 1127 CG GLU A 288 -1.221 -2.163 -2.466 1.00 46.89 C ATOM 1128 CD GLU A 288 -0.662 -0.877 -1.855 1.00 50.40 C ATOM 1129 OE1 GLU A 288 0.577 -0.801 -1.676 1.00 47.92 O ATOM 1130 OE2 GLU A 288 -1.474 0.019 -1.555 1.00 48.85 O ATOM 1131 H GLU A 288 1.046 -5.521 -1.761 1.00 0.00 H ATOM 1132 N PRO A 289 -2.124 -5.751 -1.088 1.00 27.89 N ATOM 1133 CA PRO A 289 -3.385 -6.307 -0.549 1.00 27.51 C ATOM 1134 C PRO A 289 -3.366 -6.410 0.974 1.00 28.33 C ATOM 1135 O PRO A 289 -4.326 -5.974 1.631 1.00 25.85 O ATOM 1136 CB PRO A 289 -3.521 -7.673 -1.244 1.00 28.85 C ATOM 1137 CG PRO A 289 -2.488 -7.723 -2.334 1.00 33.68 C ATOM 1138 CD PRO A 289 -1.654 -6.473 -2.289 1.00 27.23 C ATOM 1139 N LEU A 290 -2.272 -6.915 1.556 1.00 23.46 N ATOM 1140 CA LEU A 290 -2.073 -6.847 3.005 1.00 23.96 C ATOM 1141 C LEU A 290 -2.419 -5.458 3.552 1.00 29.13 C ATOM 1142 O LEU A 290 -3.291 -5.311 4.421 1.00 23.56 O ATOM 1143 CB LEU A 290 -0.631 -7.217 3.373 1.00 23.98 C ATOM 1144 CG LEU A 290 -0.334 -7.265 4.879 1.00 34.22 C ATOM 1145 CD1 LEU A 290 -1.326 -8.174 5.588 1.00 36.45 C ATOM 1146 CD2 LEU A 290 1.084 -7.747 5.138 1.00 37.66 C ATOM 1147 H LEU A 290 -1.545 -7.367 0.965 1.00 0.00 H ATOM 1148 N ALA A 291 -1.750 -4.422 3.024 1.00 19.06 N ATOM 1149 CA ALA A 291 -1.995 -3.062 3.492 1.00 18.75 C ATOM 1150 C ALA A 291 -3.474 -2.694 3.392 1.00 23.83 C ATOM 1151 O ALA A 291 -4.071 -2.204 4.365 1.00 23.68 O ATOM 1152 CB ALA A 291 -1.136 -2.070 2.714 1.00 19.45 C ATOM 1153 H ALA A 291 -1.050 -4.590 2.274 1.00 0.00 H ATOM 1154 N GLU A 292 -4.098 -2.987 2.250 1.00 21.46 N ATOM 1155 CA GLU A 292 -5.510 -2.658 2.098 1.00 28.32 C ATOM 1156 C GLU A 292 -6.341 -3.360 3.167 1.00 32.50 C ATOM 1157 O GLU A 292 -7.138 -2.720 3.877 1.00 30.17 O ATOM 1158 CB GLU A 292 -5.994 -2.999 0.671 1.00 27.82 C ATOM 1159 CG GLU A 292 -5.502 -1.989 -0.406 1.00 32.57 C ATOM 1160 CD GLU A 292 -5.495 -2.496 -1.854 1.00 42.74 C ATOM 1161 OE1 GLU A 292 -5.223 -1.659 -2.736 1.00 47.60 O ATOM 1162 OE2 GLU A 292 -5.863 -3.662 -2.115 1.00 57.38 O ATOM 1163 H GLU A 292 -3.581 -3.447 1.474 1.00 0.00 H ATOM 1164 N SER A 293 -6.089 -4.657 3.371 1.00 31.10 N ATOM 1165 CA SER A 293 -6.861 -5.379 4.367 1.00 30.50 C ATOM 1166 C SER A 293 -6.672 -4.732 5.731 1.00 30.26 C ATOM 1167 O SER A 293 -7.656 -4.467 6.443 1.00 23.03 O ATOM 1168 CB SER A 293 -6.467 -6.853 4.378 1.00 29.47 C ATOM 1169 OG SER A 293 -7.319 -7.583 5.243 1.00 48.98 O ATOM 1170 HG SER A 293 -7.052 -8.536 5.240 1.00 0.00 H ATOM 1171 H SER A 293 -5.350 -5.143 2.824 1.00 0.00 H ATOM 1172 N ILE A 294 -5.429 -4.368 6.067 1.00 25.34 N ATOM 1173 CA ILE A 294 -5.195 -3.762 7.371 1.00 25.13 C ATOM 1174 C ILE A 294 -5.968 -2.460 7.482 1.00 32.29 C ATOM 1175 O ILE A 294 -6.749 -2.254 8.429 1.00 31.71 O ATOM 1176 CB ILE A 294 -3.698 -3.545 7.623 1.00 28.22 C ATOM 1177 CG1 ILE A 294 -2.980 -4.893 7.757 1.00 26.15 C ATOM 1178 CG2 ILE A 294 -3.509 -2.669 8.868 1.00 23.19 C ATOM 1179 CD1 ILE A 294 -1.471 -4.768 7.740 1.00 19.22 C ATOM 1180 H ILE A 294 -4.640 -4.516 5.406 1.00 0.00 H ATOM 1181 N THR A 295 -5.839 -1.605 6.459 1.00 21.81 N ATOM 1182 CA THR A 295 -6.525 -0.322 6.523 1.00 28.61 C ATOM 1183 C THR A 295 -8.016 -0.543 6.598 1.00 27.89 C ATOM 1184 O THR A 295 -8.715 0.115 7.380 1.00 33.20 O ATOM 1185 CB THR A 295 -6.152 0.554 5.327 1.00 30.98 C ATOM 1186 OG1 THR A 295 -4.733 0.702 5.298 1.00 26.01 O ATOM 1187 CG2 THR A 295 -6.813 1.938 5.419 1.00 32.03 C ATOM 1188 HG1 THR A 295 -4.311 -0.189 5.209 1.00 0.00 H ATOM 1189 H THR A 295 -5.258 -1.853 5.633 1.00 0.00 H ATOM 1190 N ASP A 296 -8.504 -1.551 5.873 1.00 31.08 N ATOM 1191 CA ASP A 296 -9.941 -1.745 5.814 1.00 31.37 C ATOM 1192 C ASP A 296 -10.461 -2.172 7.175 1.00 34.83 C ATOM 1193 O ASP A 296 -11.511 -1.695 7.624 1.00 43.59 O ATOM 1194 CB ASP A 296 -10.272 -2.754 4.704 1.00 35.00 C ATOM 1195 CG ASP A 296 -11.668 -3.334 4.820 1.00 52.94 C ATOM 1196 OD1 ASP A 296 -11.784 -4.499 5.264 1.00 60.62 O ATOM 1197 OD2 ASP A 296 -12.638 -2.624 4.475 1.00 58.78 O ATOM 1198 H ASP A 296 -7.864 -2.188 5.358 1.00 0.00 H ATOM 1199 N VAL A 297 -9.687 -2.985 7.896 1.00 34.69 N ATOM 1200 CA VAL A 297 -10.135 -3.390 9.223 1.00 35.88 C ATOM 1201 C VAL A 297 -10.076 -2.203 10.172 1.00 30.44 C ATOM 1202 O VAL A 297 -10.956 -2.020 11.023 1.00 34.15 O ATOM 1203 CB VAL A 297 -9.306 -4.586 9.727 1.00 31.74 C ATOM 1204 CG1 VAL A 297 -9.624 -4.908 11.180 1.00 27.66 C ATOM 1205 CG2 VAL A 297 -9.521 -5.805 8.812 1.00 35.19 C ATOM 1206 H VAL A 297 -8.779 -3.324 7.518 1.00 0.00 H ATOM 1207 N LEU A 298 -9.034 -1.382 10.036 1.00 26.22 N ATOM 1208 CA LEU A 298 -8.863 -0.254 10.937 1.00 28.06 C ATOM 1209 C LEU A 298 -10.033 0.709 10.800 1.00 34.34 C ATOM 1210 O LEU A 298 -10.832 0.894 11.731 1.00 41.75 O ATOM 1211 CB LEU A 298 -7.537 0.442 10.631 1.00 18.92 C ATOM 1212 CG LEU A 298 -7.195 1.736 11.343 1.00 22.77 C ATOM 1213 CD1 LEU A 298 -7.147 1.525 12.847 1.00 17.78 C ATOM 1214 CD2 LEU A 298 -5.860 2.210 10.823 1.00 24.57 C ATOM 1215 H LEU A 298 -8.339 -1.550 9.281 1.00 0.00 H ATOM 1216 N VAL A 299 -10.177 1.278 9.604 1.00 27.26 N ATOM 1217 CA VAL A 299 -11.143 2.342 9.382 1.00 38.04 C ATOM 1218 C VAL A 299 -12.562 1.830 9.580 1.00 42.62 C ATOM 1219 O VAL A 299 -13.432 2.548 10.087 1.00 41.69 O ATOM 1220 CB VAL A 299 -10.923 2.950 7.981 1.00 43.74 C ATOM 1221 CG1 VAL A 299 -12.010 3.920 7.634 1.00 44.71 C ATOM 1222 CG2 VAL A 299 -9.564 3.657 7.924 1.00 40.66 C ATOM 1223 H VAL A 299 -9.586 0.954 8.812 1.00 0.00 H ATOM 1224 N ARG A 300 -12.822 0.579 9.224 1.00 37.09 N ATOM 1225 CA ARG A 300 -14.203 0.160 9.370 1.00 39.03 C ATOM 1226 C ARG A 300 -14.539 -0.171 10.815 1.00 44.42 C ATOM 1227 O ARG A 300 -15.701 -0.029 11.205 1.00 49.26 O ATOM 1228 CB ARG A 300 -14.530 -0.999 8.420 1.00 47.72 C ATOM 1229 CG ARG A 300 -14.631 -2.390 9.010 1.00 56.59 C ATOM 1230 CD ARG A 300 -15.344 -3.312 7.993 1.00 59.30 C ATOM 1231 NE ARG A 300 -14.917 -4.708 8.084 1.00 63.17 N ATOM 1232 CZ ARG A 300 -14.324 -5.369 7.092 1.00 67.90 C ATOM 1233 NH1 ARG A 300 -14.103 -4.758 5.939 1.00 68.82 N ATOM 1234 NH2 ARG A 300 -13.956 -6.638 7.244 1.00 70.57 N ATOM 1235 HE ARG A 300 -15.087 -5.214 8.976 1.00 0.00 H ATOM 1236 HH12 ARG A 300 -13.640 -5.269 5.160 1.00 0.00 H ATOM 1237 HH11 ARG A 300 -14.392 -3.767 5.812 1.00 0.00 H ATOM 1238 HH22 ARG A 300 -13.494 -7.143 6.461 1.00 0.00 H ATOM 1239 HH21 ARG A 300 -14.131 -7.126 8.146 1.00 0.00 H ATOM 1240 H ARG A 300 -12.084 -0.059 8.864 1.00 0.00 H ATOM 1241 N THR A 301 -13.555 -0.541 11.643 1.00 40.87 N ATOM 1242 CA THR A 301 -13.910 -0.905 13.011 1.00 40.32 C ATOM 1243 C THR A 301 -13.663 0.214 14.011 1.00 37.57 C ATOM 1244 O THR A 301 -14.247 0.180 15.095 1.00 35.10 O ATOM 1245 CB THR A 301 -13.145 -2.152 13.480 1.00 39.01 C ATOM 1246 OG1 THR A 301 -11.735 -1.901 13.424 1.00 42.40 O ATOM 1247 CG2 THR A 301 -13.483 -3.354 12.625 1.00 32.07 C ATOM 1248 HG1 THR A 301 -11.476 -1.686 12.493 1.00 0.00 H ATOM 1249 H THR A 301 -12.566 -0.568 11.321 1.00 0.00 H ATOM 1250 N LYS A 302 -12.808 1.188 13.689 1.00 40.87 N ATOM 1251 CA LYS A 302 -12.411 2.217 14.641 1.00 41.15 C ATOM 1252 C LYS A 302 -12.701 3.629 14.143 1.00 39.43 C ATOM 1253 O LYS A 302 -12.288 4.596 14.799 1.00 40.12 O ATOM 1254 CB LYS A 302 -10.916 2.089 14.957 1.00 37.37 C ATOM 1255 CG LYS A 302 -10.448 0.749 15.543 1.00 40.60 C ATOM 1256 CD LYS A 302 -11.281 0.300 16.723 1.00 42.25 C ATOM 1257 CE LYS A 302 -11.084 -1.188 17.008 1.00 44.51 C ATOM 1258 NZ LYS A 302 -11.419 -1.534 18.422 1.00 40.69 N ATOM 1259 HZ1 LYS A 302 -10.804 -0.995 19.065 1.00 0.00 H ATOM 1260 HZ2 LYS A 302 -12.414 -1.295 18.610 1.00 0.00 H ATOM 1261 HZ3 LYS A 302 -11.272 -2.552 18.573 1.00 0.00 H ATOM 1262 H LYS A 302 -12.413 1.213 12.727 1.00 0.00 H ATOM 1263 N ARG A 303 -13.432 3.773 13.032 1.00 35.93 N ATOM 1264 CA ARG A 303 -13.609 5.083 12.401 1.00 41.86 C ATOM 1265 C ARG A 303 -13.973 6.162 13.416 1.00 45.94 C ATOM 1266 O ARG A 303 -13.236 7.140 13.592 1.00 50.01 O ATOM 1267 CB ARG A 303 -14.661 5.028 11.289 1.00 40.05 C ATOM 1268 CG ARG A 303 -14.844 6.391 10.616 1.00 42.28 C ATOM 1269 CD ARG A 303 -15.922 6.409 9.527 1.00 48.95 C ATOM 1270 NE ARG A 303 -15.743 5.370 8.521 1.00 50.76 N ATOM 1271 CZ ARG A 303 -14.953 5.502 7.455 1.00 50.81 C ATOM 1272 NH1 ARG A 303 -14.243 6.617 7.275 1.00 45.76 N ATOM 1273 NH2 ARG A 303 -14.847 4.517 6.563 1.00 48.28 N ATOM 1274 HE ARG A 303 -16.260 4.476 8.641 1.00 0.00 H ATOM 1275 HH12 ARG A 303 -13.629 6.713 6.441 1.00 0.00 H ATOM 1276 HH11 ARG A 303 -14.304 7.390 7.968 1.00 0.00 H ATOM 1277 HH22 ARG A 303 -14.228 4.630 5.735 1.00 0.00 H ATOM 1278 HH21 ARG A 303 -15.383 3.636 6.695 1.00 0.00 H ATOM 1279 H ARG A 303 -13.884 2.938 12.608 1.00 0.00 H ATOM 1280 N ASP A 304 -15.105 5.997 14.104 1.00 35.79 N ATOM 1281 CA ASP A 304 -15.538 7.027 15.041 1.00 41.91 C ATOM 1282 C ASP A 304 -14.459 7.327 16.079 1.00 42.86 C ATOM 1283 O ASP A 304 -14.181 8.500 16.371 1.00 41.78 O ATOM 1284 CB ASP A 304 -16.858 6.622 15.691 1.00 48.86 C ATOM 1285 CG ASP A 304 -18.054 6.788 14.739 1.00 61.68 C ATOM 1286 OD1 ASP A 304 -19.114 6.183 15.018 1.00 64.24 O ATOM 1287 OD2 ASP A 304 -17.921 7.495 13.703 1.00 61.42 O ATOM 1288 H ASP A 304 -15.676 5.138 13.972 1.00 0.00 H ATOM 1289 N TRP A 305 -13.812 6.290 16.620 1.00 39.06 N ATOM 1290 CA TRP A 305 -12.725 6.543 17.557 1.00 34.53 C ATOM 1291 C TRP A 305 -11.642 7.370 16.889 1.00 41.15 C ATOM 1292 O TRP A 305 -11.222 8.409 17.416 1.00 44.36 O ATOM 1293 CB TRP A 305 -12.149 5.238 18.082 1.00 31.78 C ATOM 1294 CG TRP A 305 -11.163 5.400 19.214 1.00 31.23 C ATOM 1295 CD1 TRP A 305 -11.449 5.390 20.543 1.00 29.86 C ATOM 1296 CD2 TRP A 305 -9.738 5.570 19.112 1.00 30.42 C ATOM 1297 NE1 TRP A 305 -10.303 5.541 21.280 1.00 29.22 N ATOM 1298 CE2 TRP A 305 -9.236 5.660 20.431 1.00 32.64 C ATOM 1299 CE3 TRP A 305 -8.841 5.663 18.038 1.00 30.74 C ATOM 1300 CZ2 TRP A 305 -7.872 5.837 20.713 1.00 23.52 C ATOM 1301 CZ3 TRP A 305 -7.480 5.838 18.318 1.00 28.78 C ATOM 1302 CH2 TRP A 305 -7.014 5.932 19.647 1.00 21.52 C ATOM 1303 HE1 TRP A 305 -10.252 5.562 22.319 1.00 0.00 H ATOM 1304 H TRP A 305 -14.081 5.316 16.375 1.00 0.00 H ATOM 1305 N LEU A 306 -11.226 6.957 15.686 1.00 42.22 N ATOM 1306 CA LEU A 306 -10.230 7.730 14.959 1.00 31.31 C ATOM 1307 C LEU A 306 -10.674 9.174 14.825 1.00 32.98 C ATOM 1308 O LEU A 306 -9.876 10.097 15.023 1.00 34.83 O ATOM 1309 CB LEU A 306 -9.977 7.144 13.566 1.00 26.41 C ATOM 1310 CG LEU A 306 -9.135 5.894 13.251 1.00 35.08 C ATOM 1311 CD1 LEU A 306 -7.910 5.743 14.122 1.00 22.80 C ATOM 1312 CD2 LEU A 306 -9.960 4.641 13.316 1.00 44.20 C ATOM 1313 H LEU A 306 -11.614 6.085 15.271 1.00 0.00 H ATOM 1314 N VAL A 307 -11.959 9.401 14.537 1.00 30.16 N ATOM 1315 CA VAL A 307 -12.394 10.774 14.329 1.00 32.49 C ATOM 1316 C VAL A 307 -12.313 11.564 15.636 1.00 36.17 C ATOM 1317 O VAL A 307 -11.846 12.709 15.647 1.00 38.85 O ATOM 1318 CB VAL A 307 -13.795 10.801 13.696 1.00 36.01 C ATOM 1319 CG1 VAL A 307 -14.326 12.216 13.656 1.00 38.92 C ATOM 1320 CG2 VAL A 307 -13.734 10.197 12.296 1.00 35.98 C ATOM 1321 H VAL A 307 -12.634 8.613 14.463 1.00 0.00 H ATOM 1322 N LYS A 308 -12.699 10.951 16.765 1.00 39.63 N ATOM 1323 CA LYS A 308 -12.534 11.623 18.059 1.00 48.53 C ATOM 1324 C LYS A 308 -11.097 11.731 18.556 1.00 46.31 C ATOM 1325 O LYS A 308 -10.802 12.659 19.311 1.00 48.86 O ATOM 1326 CB LYS A 308 -13.445 11.009 19.131 1.00 53.92 C ATOM 1327 CG LYS A 308 -13.341 11.731 20.449 1.00 68.33 C ATOM 1328 CD LYS A 308 -14.447 12.383 21.160 1.00 83.14 C ATOM 1329 CE LYS A 308 -13.861 13.463 21.917 1.00 90.05 C ATOM 1330 NZ LYS A 308 -12.549 13.076 22.491 1.00 91.98 N ATOM 1331 HZ1 LYS A 308 -12.676 12.261 23.124 1.00 0.00 H ATOM 1332 HZ2 LYS A 308 -11.897 12.821 21.722 1.00 0.00 H ATOM 1333 HZ3 LYS A 308 -12.157 13.876 23.028 1.00 0.00 H ATOM 1334 H LYS A 308 -13.115 9.999 16.723 1.00 0.00 H ATOM 1335 N GLN A 309 -10.157 10.934 18.071 1.00 38.54 N ATOM 1336 CA GLN A 309 -8.776 11.235 18.417 1.00 35.23 C ATOM 1337 C GLN A 309 -8.105 12.060 17.337 1.00 41.52 C ATOM 1338 O GLN A 309 -6.870 12.106 17.268 1.00 46.25 O ATOM 1339 CB GLN A 309 -7.992 9.959 18.719 1.00 41.35 C ATOM 1340 CG GLN A 309 -8.823 8.988 19.515 1.00 50.68 C ATOM 1341 CD GLN A 309 -8.835 9.382 20.989 1.00 56.85 C ATOM 1342 OE1 GLN A 309 -9.729 10.087 21.443 1.00 65.81 O ATOM 1343 NE2 GLN A 309 -7.810 8.978 21.721 1.00 55.35 N ATOM 1344 HE22 GLN A 309 -7.072 8.380 21.297 1.00 0.00 H ATOM 1345 HE21 GLN A 309 -7.742 9.258 22.720 1.00 0.00 H ATOM 1346 H GLN A 309 -10.397 10.123 17.465 1.00 0.00 H ATOM 1347 N ARG A 310 -8.911 12.733 16.509 1.00 42.62 N ATOM 1348 CA ARG A 310 -8.412 13.635 15.487 1.00 39.42 C ATOM 1349 C ARG A 310 -7.442 12.929 14.547 1.00 34.16 C ATOM 1350 O ARG A 310 -6.446 13.500 14.112 1.00 37.24 O ATOM 1351 CB ARG A 310 -7.800 14.860 16.152 1.00 41.29 C ATOM 1352 CG ARG A 310 -8.867 15.661 16.897 1.00 49.83 C ATOM 1353 CD ARG A 310 -8.285 16.820 17.700 1.00 65.34 C ATOM 1354 NE ARG A 310 -7.073 16.406 18.397 1.00 74.95 N ATOM 1355 CZ ARG A 310 -5.838 16.781 18.072 1.00 76.18 C ATOM 1356 NH1 ARG A 310 -5.637 17.581 17.036 1.00 70.27 N ATOM 1357 NH2 ARG A 310 -4.792 16.328 18.767 1.00 74.56 N ATOM 1358 HE ARG A 310 -7.182 15.768 19.211 1.00 0.00 H ATOM 1359 HH12 ARG A 310 -4.671 17.873 16.784 1.00 0.00 H ATOM 1360 HH11 ARG A 310 -6.445 17.918 16.474 1.00 0.00 H ATOM 1361 HH22 ARG A 310 -3.829 16.624 18.509 1.00 0.00 H ATOM 1362 HH21 ARG A 310 -4.940 15.679 19.566 1.00 0.00 H ATOM 1363 H ARG A 310 -9.939 12.605 16.601 1.00 0.00 H ATOM 1364 N GLY A 311 -7.731 11.663 14.255 1.00 31.52 N ATOM 1365 CA GLY A 311 -7.057 10.962 13.174 1.00 34.92 C ATOM 1366 C GLY A 311 -5.546 10.907 13.300 1.00 35.96 C ATOM 1367 O GLY A 311 -4.969 10.696 14.382 1.00 29.15 O ATOM 1368 H GLY A 311 -8.454 11.165 14.812 1.00 0.00 H ATOM 1369 N TRP A 312 -4.890 11.046 12.150 1.00 36.13 N ATOM 1370 CA TRP A 312 -3.443 10.902 12.119 1.00 37.95 C ATOM 1371 C TRP A 312 -2.734 12.054 12.819 1.00 38.17 C ATOM 1372 O TRP A 312 -1.618 11.858 13.319 1.00 32.47 O ATOM 1373 CB TRP A 312 -2.985 10.695 10.673 1.00 31.69 C ATOM 1374 CG TRP A 312 -3.400 9.305 10.237 1.00 33.09 C ATOM 1375 CD1 TRP A 312 -4.452 8.966 9.419 1.00 32.07 C ATOM 1376 CD2 TRP A 312 -2.805 8.068 10.653 1.00 28.61 C ATOM 1377 NE1 TRP A 312 -4.528 7.602 9.289 1.00 26.79 N ATOM 1378 CE2 TRP A 312 -3.532 7.025 10.033 1.00 29.65 C ATOM 1379 CE3 TRP A 312 -1.720 7.742 11.475 1.00 24.74 C ATOM 1380 CZ2 TRP A 312 -3.207 5.677 10.212 1.00 28.62 C ATOM 1381 CZ3 TRP A 312 -1.392 6.392 11.654 1.00 22.86 C ATOM 1382 CH2 TRP A 312 -2.134 5.382 11.018 1.00 29.12 C ATOM 1383 HE1 TRP A 312 -5.229 7.088 8.718 1.00 0.00 H ATOM 1384 H TRP A 312 -5.411 11.257 11.275 1.00 0.00 H ATOM 1385 N ASP A 313 -3.366 13.237 12.916 1.00 36.91 N ATOM 1386 CA ASP A 313 -2.784 14.291 13.745 1.00 35.36 C ATOM 1387 C ASP A 313 -2.822 13.904 15.212 1.00 36.75 C ATOM 1388 O ASP A 313 -1.867 14.165 15.952 1.00 42.12 O ATOM 1389 CB ASP A 313 -3.529 15.620 13.572 1.00 41.79 C ATOM 1390 CG ASP A 313 -3.300 16.264 12.236 1.00 51.08 C ATOM 1391 OD1 ASP A 313 -4.296 16.589 11.558 1.00 60.62 O ATOM 1392 OD2 ASP A 313 -2.123 16.465 11.874 1.00 56.80 O ATOM 1393 H ASP A 313 -4.258 13.400 12.407 1.00 0.00 H ATOM 1394 N GLY A 314 -3.888 13.215 15.635 1.00 32.08 N ATOM 1395 CA GLY A 314 -3.935 12.724 17.001 1.00 31.34 C ATOM 1396 C GLY A 314 -2.880 11.669 17.262 1.00 33.92 C ATOM 1397 O GLY A 314 -2.248 11.666 18.319 1.00 29.01 O ATOM 1398 H GLY A 314 -4.681 13.032 14.987 1.00 0.00 H ATOM 1399 N PHE A 315 -2.670 10.775 16.289 1.00 33.58 N ATOM 1400 CA PHE A 315 -1.607 9.766 16.361 1.00 29.82 C ATOM 1401 C PHE A 315 -0.235 10.418 16.553 1.00 30.31 C ATOM 1402 O PHE A 315 0.527 10.083 17.483 1.00 36.04 O ATOM 1403 CB PHE A 315 -1.665 8.951 15.067 1.00 25.43 C ATOM 1404 CG PHE A 315 -0.566 7.953 14.899 1.00 23.89 C ATOM 1405 CD1 PHE A 315 -0.549 6.774 15.643 1.00 28.86 C ATOM 1406 CD2 PHE A 315 0.438 8.179 13.975 1.00 25.24 C ATOM 1407 CE1 PHE A 315 0.455 5.850 15.477 1.00 24.80 C ATOM 1408 CE2 PHE A 315 1.448 7.255 13.795 1.00 32.50 C ATOM 1409 CZ PHE A 315 1.457 6.083 14.544 1.00 26.23 C ATOM 1410 H PHE A 315 -3.284 10.796 15.450 1.00 0.00 H ATOM 1411 N VAL A 316 0.082 11.383 15.688 1.00 28.26 N ATOM 1412 CA VAL A 316 1.389 12.029 15.739 1.00 31.35 C ATOM 1413 C VAL A 316 1.564 12.751 17.068 1.00 34.23 C ATOM 1414 O VAL A 316 2.598 12.620 17.734 1.00 33.74 O ATOM 1415 CB VAL A 316 1.562 12.984 14.545 1.00 32.79 C ATOM 1416 CG1 VAL A 316 2.626 14.032 14.848 1.00 35.92 C ATOM 1417 CG2 VAL A 316 1.890 12.189 13.299 1.00 32.30 C ATOM 1418 H VAL A 316 -0.610 11.678 14.970 1.00 0.00 H ATOM 1419 N GLU A 317 0.539 13.492 17.498 1.00 32.39 N ATOM 1420 CA GLU A 317 0.660 14.210 18.763 1.00 34.02 C ATOM 1421 C GLU A 317 0.831 13.229 19.924 1.00 36.68 C ATOM 1422 O GLU A 317 1.622 13.474 20.847 1.00 33.29 O ATOM 1423 CB GLU A 317 -0.558 15.109 18.972 1.00 36.12 C ATOM 1424 CG GLU A 317 -0.709 15.624 20.392 1.00 58.83 C ATOM 1425 CD GLU A 317 -1.367 16.991 20.460 1.00 64.62 C ATOM 1426 OE1 GLU A 317 -0.767 17.888 21.088 1.00 63.14 O ATOM 1427 OE2 GLU A 317 -2.473 17.138 19.902 1.00 69.50 O ATOM 1428 H GLU A 317 -0.335 13.557 16.938 1.00 0.00 H ATOM 1429 N PHE A 318 0.136 12.088 19.863 1.00 30.18 N ATOM 1430 CA PHE A 318 0.237 11.076 20.912 1.00 35.68 C ATOM 1431 C PHE A 318 1.676 10.598 21.104 1.00 36.18 C ATOM 1432 O PHE A 318 2.154 10.490 22.245 1.00 30.87 O ATOM 1433 CB PHE A 318 -0.684 9.889 20.601 1.00 27.50 C ATOM 1434 CG PHE A 318 -0.787 8.896 21.712 1.00 28.86 C ATOM 1435 CD1 PHE A 318 -1.687 9.093 22.767 1.00 31.93 C ATOM 1436 CD2 PHE A 318 0.010 7.762 21.716 1.00 26.55 C ATOM 1437 CE1 PHE A 318 -1.787 8.176 23.807 1.00 29.97 C ATOM 1438 CE2 PHE A 318 -0.086 6.833 22.755 1.00 28.70 C ATOM 1439 CZ PHE A 318 -0.983 7.046 23.808 1.00 28.97 C ATOM 1440 H PHE A 318 -0.490 11.917 19.051 1.00 0.00 H ATOM 1441 N PHE A 319 2.398 10.308 20.015 1.00 30.12 N ATOM 1442 CA PHE A 319 3.748 9.774 20.216 1.00 30.26 C ATOM 1443 C PHE A 319 4.861 10.822 20.141 1.00 42.51 C ATOM 1444 O PHE A 319 6.040 10.458 20.101 1.00 51.56 O ATOM 1445 CB PHE A 319 4.034 8.653 19.225 1.00 30.10 C ATOM 1446 CG PHE A 319 3.187 7.430 19.435 1.00 30.10 C ATOM 1447 CD1 PHE A 319 3.441 6.564 20.490 1.00 33.82 C ATOM 1448 CD2 PHE A 319 2.138 7.142 18.573 1.00 26.93 C ATOM 1449 CE1 PHE A 319 2.656 5.428 20.682 1.00 34.01 C ATOM 1450 CE2 PHE A 319 1.355 6.018 18.759 1.00 30.53 C ATOM 1451 CZ PHE A 319 1.614 5.154 19.815 1.00 29.55 C ATOM 1452 H PHE A 319 2.015 10.456 19.060 1.00 0.00 H ATOM 1453 N HIS A 320 4.533 12.104 20.185 1.00 46.86 N ATOM 1454 CA HIS A 320 5.525 13.156 19.967 1.00 47.71 C ATOM 1455 C HIS A 320 6.157 13.631 21.273 1.00 47.01 C ATOM 1456 O HIS A 320 5.455 13.964 22.231 1.00 43.96 O ATOM 1457 CB HIS A 320 4.882 14.338 19.242 1.00 37.59 C ATOM 1458 CG HIS A 320 5.631 15.617 19.403 1.00 48.78 C ATOM 1459 ND1 HIS A 320 6.939 15.770 18.995 1.00 54.08 N ATOM 1460 CD2 HIS A 320 5.258 16.797 19.950 1.00 55.21 C ATOM 1461 CE1 HIS A 320 7.335 16.998 19.275 1.00 53.14 C ATOM 1462 NE2 HIS A 320 6.335 17.641 19.857 1.00 53.63 N ATOM 1463 H HIS A 320 3.546 12.369 20.379 1.00 0.00 H ATOM 1464 N VAL A 321 7.487 13.678 21.302 1.00 48.49 N ATOM 1465 CA VAL A 321 8.229 14.220 22.434 1.00 56.07 C ATOM 1466 C VAL A 321 9.216 15.265 21.914 1.00 63.64 C ATOM 1467 O VAL A 321 9.897 15.041 20.907 1.00 67.52 O ATOM 1468 CB VAL A 321 8.958 13.114 23.223 1.00 47.39 C ATOM 1469 CG1 VAL A 321 9.558 13.684 24.501 1.00 42.37 C ATOM 1470 CG2 VAL A 321 7.997 11.987 23.562 1.00 42.71 C ATOM 1471 H VAL A 321 8.018 13.314 20.485 1.00 0.00 H ATOM 1472 N GLU A 322 9.277 16.406 22.591 1.00 64.52 N ATOM 1473 CA GLU A 322 10.159 17.504 22.197 1.00 67.93 C ATOM 1474 C GLU A 322 11.308 17.646 23.190 1.00 60.56 C ATOM 1475 O GLU A 322 11.226 18.430 24.134 1.00 53.93 O ATOM 1476 CB GLU A 322 9.374 18.817 22.097 1.00 70.98 C ATOM 1477 H GLU A 322 8.676 16.523 23.432 1.00 0.00 H TER 1478 GLU A 322 HETATM 1479 O HOH 1 4.590 -10.229 23.779 1.00 43.67 O HETATM 1480 O HOH 2 -8.031 0.268 -1.458 1.00 40.90 O HETATM 1481 O HOH 3 -0.086 -11.804 -6.004 1.00 49.79 O HETATM 1482 O HOH 4 -3.454 0.032 -3.063 1.00 42.41 O HETATM 1483 O HOH 5 4.780 -18.837 -1.598 1.00 46.94 O HETATM 1484 O HOH 6 0.050 -17.219 18.293 1.00 49.03 O HETATM 1485 O HOH 7 -6.196 11.733 9.666 1.00 35.58 O HETATM 1486 O HOH 8 12.859 -20.603 14.577 1.00 42.10 O HETATM 1487 O HOH 9 14.277 -11.128 20.493 1.00 57.52 O HETATM 1488 O HOH 10 1.834 -5.424 -3.149 1.00 43.91 O HETATM 1489 O HOH 11 -5.764 8.475 23.176 1.00 37.18 O HETATM 1490 O HOH 12 9.585 -14.976 7.847 1.00 39.16 O HETATM 1491 O HOH 13 5.126 11.508 16.694 1.00 28.89 O HETATM 1492 O HOH 14 10.150 12.453 -5.428 1.00 24.62 O HETATM 1493 O HOH 15 11.093 1.655 8.314 1.00 35.81 O HETATM 1494 O HOH 16 -13.141 9.567 5.299 1.00 43.12 O HETATM 1495 O HOH 17 -8.725 -19.573 2.170 1.00 52.32 O HETATM 1496 O HOH 18 10.873 10.853 7.014 1.00 63.17 O HETATM 1497 O HOH 19 -7.480 -10.238 4.520 1.00 37.13 O HETATM 1498 O HOH 20 3.487 -17.574 7.399 1.00 40.06 O HETATM 1499 O HOH 21 9.334 1.526 0.009 1.00 32.01 O HETATM 1500 O HOH 22 -21.840 6.359 14.450 1.00 47.71 O HETATM 1501 O HOH 23 3.930 12.071 23.721 1.00 24.15 O HETATM 1502 O HOH 24 -9.825 -2.456 1.228 1.00 50.10 O HETATM 1503 O HOH 25 0.430 -14.612 -4.883 1.00 43.20 O HETATM 1504 O HOH 26 7.205 2.789 1.152 1.00 34.62 O HETATM 1505 O HOH 27 8.246 6.644 2.286 1.00 45.86 O HETATM 1506 O HOH 28 -10.034 -6.782 4.960 1.00 44.14 O HETATM 1507 O HOH 29 1.807 3.619 -0.284 1.00 39.40 O HETATM 1508 O HOH 30 -5.172 11.309 20.059 1.00 39.10 O HETATM 1509 O HOH 31 -7.004 -6.327 0.672 1.00 48.52 O HETATM 1510 O HOH 32 6.369 -12.313 22.486 1.00 30.87 O HETATM 1511 O HOH 33 9.573 12.750 19.203 1.00 50.11 O HETATM 1512 O HOH 34 9.264 10.956 15.591 1.00 44.70 O HETATM 1513 O HOH 35 -14.273 9.242 8.591 1.00 51.97 O HETATM 1514 O HOH 36 4.451 16.461 23.434 1.00 35.37 O HETATM 1515 O HOH 37 8.662 -11.871 22.560 1.00 37.38 O HETATM 1516 O HOH 38 -14.930 3.559 16.935 1.00 35.45 O HETATM 1517 O HOH 39 -0.132 16.409 15.068 1.00 43.23 O HETATM 1518 O HOH 40 -6.995 -10.037 21.678 1.00 38.23 O HETATM 1519 O HOH 41 -12.052 2.170 23.178 1.00 46.55 O HETATM 1520 O HOH 42 9.194 -11.413 9.555 1.00 31.10 O HETATM 1521 O HOH 43 12.061 -8.665 4.170 1.00 42.53 O HETATM 1522 O HOH 44 -4.214 5.722 -0.731 1.00 44.31 O HETATM 1523 O HOH 45 4.328 -21.458 8.616 1.00 44.71 O HETATM 1524 O HOH 46 -16.390 3.218 14.255 1.00 47.40 O HETATM 1525 O HOH 47 -4.552 15.138 7.927 1.00 42.11 O HETATM 1526 O HOH 48 -3.578 13.335 20.796 1.00 27.46 O HETATM 1527 O HOH 49 -1.065 -0.128 24.494 1.00 46.02 O HETATM 1528 O HOH 50 7.316 12.434 14.504 1.00 42.97 O HETATM 1529 O HOH 51 7.429 -19.734 16.115 1.00 48.60 O HETATM 1530 O HOH 52 12.990 2.340 10.675 1.00 56.02 O HETATM 1531 O HOH 53 1.225 -5.131 -5.926 1.00 33.77 O HETATM 1532 O HOH 54 14.600 6.253 -3.491 1.00 36.66 O HETATM 1533 O HOH 55 -9.573 -5.198 2.233 1.00 49.96 O HETATM 1534 O HOH 56 11.065 -9.717 11.257 1.00 40.90 O HETATM 1535 O HOH 57 11.648 10.816 14.525 1.00 53.85 O HETATM 1536 O HOH 58 -4.285 -12.113 23.565 1.00 55.50 O HETATM 1537 O HOH 59 -2.656 0.021 -5.610 1.00 38.77 O HETATM 1538 O HOH 60 -12.861 10.945 8.193 1.00 48.96 O HETATM 1539 O HOH 61 -8.836 9.017 26.254 1.00 50.71 O HETATM 1540 C14 UNN A 62 -2.531 -9.236 21.188 1.00 0.05 C HETATM 1541 N02 UNN A 62 -2.205 -8.687 19.855 1.00 -0.26 N HETATM 1542 C11 UNN A 62 -2.713 -7.510 19.368 1.00 0.14 C HETATM 1543 C12 UNN A 62 -3.530 -6.661 20.215 1.00 0.25 C HETATM 1544 O02 UNN A 62 -4.574 -6.143 19.801 1.00 -0.38 O HETATM 1545 N01 UNN A 62 -3.050 -6.493 21.541 1.00 -0.22 N HETATM 1546 C13 UNN A 62 -1.836 -7.091 22.095 1.00 0.06 C HETATM 1547 C15 UNN A 62 -1.861 -8.583 22.380 1.00 -0.00 C HETATM 1548 H13 UNN A 62 -0.836 -8.965 22.497 1.00 0.03 H HETATM 1549 H14 UNN A 62 -2.434 -8.785 23.297 1.00 0.03 H HETATM 1550 H5 UNN A 62 -1.618 -6.577 23.043 1.00 0.06 H HETATM 1551 H6 UNN A 62 -1.020 -6.905 21.381 1.00 0.06 H HETATM 1552 C34 UNN A 62 -3.827 -5.713 22.441 1.00 0.06 C HETATM 1553 C33 UNN A 62 -5.046 -6.379 22.753 1.00 -0.05 C HETATM 1554 C31 UNN A 62 -5.976 -5.849 23.606 1.00 -0.02 C HETATM 1555 C30 UNN A 62 -5.747 -4.598 24.201 1.00 -0.05 C HETATM 1556 C36 UNN A 62 -4.530 -3.918 23.903 1.00 0.06 C HETATM 1557 C35 UNN A 62 -3.554 -4.442 23.035 1.00 0.00 C HETATM 1558 C39 UNN A 62 -2.501 -3.464 23.008 1.00 -0.07 C HETATM 1559 C38 UNN A 62 -2.827 -2.395 23.822 1.00 0.02 C HETATM 1560 N05 UNN A 62 -4.053 -2.687 24.354 1.00 -0.27 N HETATM 1561 C37 UNN A 62 -4.786 -1.842 25.271 1.00 0.04 C HETATM 1562 H34 UNN A 62 -4.205 -0.931 25.474 1.00 0.06 H HETATM 1563 H35 UNN A 62 -4.958 -2.385 26.212 1.00 0.06 H HETATM 1564 H36 UNN A 62 -5.753 -1.568 24.824 1.00 0.06 H HETATM 1565 H37 UNN A 62 -2.230 -1.503 24.003 1.00 0.09 H HETATM 1566 H38 UNN A 62 -1.581 -3.552 22.431 1.00 0.03 H HETATM 1567 H32 UNN A 62 -6.478 -4.160 24.871 1.00 0.04 H HETATM 1568 C32 UNN A 62 -7.203 -6.622 23.840 1.00 0.05 C HETATM 1569 O03 UNN A 62 -7.368 -7.809 23.608 1.00 -0.56 O HETATM 1570 O04 UNN A 62 -8.169 -5.836 24.329 1.00 -0.56 O HETATM 1571 H33 UNN A 62 -5.245 -7.342 22.298 1.00 0.04 H HETATM 1572 C07 UNN A 62 -2.372 -7.410 18.027 1.00 -0.02 C HETATM 1573 C06 UNN A 62 -1.538 -8.522 17.741 1.00 -0.02 C HETATM 1574 C01 UNN A 62 -1.434 -9.314 18.905 1.00 0.07 C HETATM 1575 C02 UNN A 62 -0.658 -10.516 18.930 1.00 -0.01 C HETATM 1576 C03 UNN A 62 -0.003 -10.853 17.731 1.00 0.02 C HETATM 1577 CL UNN A 62 0.935 -12.295 17.683 1.00 -0.09 CL HETATM 1578 C04 UNN A 62 -0.094 -10.082 16.555 1.00 -0.07 C HETATM 1579 C05 UNN A 62 -0.860 -8.908 16.561 1.00 -0.08 C HETATM 1580 H8 UNN A 62 -0.932 -8.300 15.667 1.00 0.05 H HETATM 1581 H7 UNN A 62 0.423 -10.394 15.655 1.00 0.05 H HETATM 1582 C19 UNN A 62 -0.515 -11.385 20.093 1.00 0.00 C HETATM 1583 C17 UNN A 62 0.427 -11.079 21.078 1.00 0.08 C HETATM 1584 N03 UNN A 62 0.309 -12.053 22.018 1.00 -0.21 N HETATM 1585 C16 UNN A 62 1.115 -12.122 23.225 1.00 0.06 C HETATM 1586 H15 UNN A 62 0.820 -13.004 23.813 1.00 0.06 H HETATM 1587 H16 UNN A 62 0.957 -11.213 23.824 1.00 0.06 H HETATM 1588 H17 UNN A 62 2.178 -12.202 22.952 1.00 0.06 H HETATM 1589 N04 UNN A 62 -0.649 -12.971 21.732 1.00 -0.24 N HETATM 1590 C20 UNN A 62 -1.167 -12.561 20.545 1.00 0.01 C HETATM 1591 C21 UNN A 62 -2.263 -13.309 19.867 1.00 -0.03 C HETATM 1592 H21 UNN A 62 -2.548 -14.177 20.479 1.00 0.04 H HETATM 1593 H22 UNN A 62 -1.917 -13.653 18.881 1.00 0.04 H HETATM 1594 H23 UNN A 62 -3.134 -12.649 19.740 1.00 0.04 H HETATM 1595 C18 UNN A 62 1.421 -9.982 21.239 1.00 0.00 C HETATM 1596 H18 UNN A 62 1.359 -9.301 20.377 1.00 0.05 H HETATM 1597 H19 UNN A 62 2.433 -10.409 21.296 1.00 0.05 H HETATM 1598 H20 UNN A 62 1.206 -9.425 22.163 1.00 0.05 H HETATM 1599 C08 UNN A 62 -2.741 -6.336 17.040 1.00 -0.03 C HETATM 1600 C09 UNN A 62 -4.106 -6.595 16.399 1.00 -0.02 C HETATM 1601 C10 UNN A 62 -4.021 -7.748 15.404 1.00 0.07 C HETATM 1602 O01 UNN A 62 -3.126 -7.314 14.384 1.00 -0.32 O HETATM 1603 C26 UNN A 62 -2.967 -8.049 13.257 1.00 0.08 C HETATM 1604 C25 UNN A 62 -2.353 -7.535 12.118 1.00 -0.04 C HETATM 1605 C23 UNN A 62 -2.200 -8.326 10.964 1.00 -0.05 C HETATM 1606 C22 UNN A 62 -2.684 -9.648 11.011 1.00 0.03 C HETATM 1607 CL2 UNN A 62 -2.510 -10.652 9.634 1.00 -0.09 CL HETATM 1608 C28 UNN A 62 -3.314 -10.209 12.142 1.00 -0.05 C HETATM 1609 C27 UNN A 62 -3.449 -9.378 13.284 1.00 -0.04 C HETATM 1610 H28 UNN A 62 -3.923 -9.763 14.180 1.00 0.04 H HETATM 1611 C29 UNN A 62 -3.815 -11.644 12.091 1.00 -0.03 C HETATM 1612 H29 UNN A 62 -3.594 -12.075 11.103 1.00 0.04 H HETATM 1613 H30 UNN A 62 -4.901 -11.659 12.263 1.00 0.04 H HETATM 1614 H31 UNN A 62 -3.312 -12.236 12.870 1.00 0.04 H HETATM 1615 C24 UNN A 62 -1.525 -7.773 9.725 1.00 -0.03 C HETATM 1616 H24 UNN A 62 -1.227 -6.729 9.905 1.00 0.04 H HETATM 1617 H25 UNN A 62 -2.225 -7.814 8.877 1.00 0.04 H HETATM 1618 H26 UNN A 62 -0.633 -8.374 9.494 1.00 0.04 H HETATM 1619 H27 UNN A 62 -1.989 -6.514 12.120 1.00 0.04 H HETATM 1620 H3 UNN A 62 -5.013 -7.961 14.978 1.00 0.06 H HETATM 1621 H4 UNN A 62 -3.632 -8.651 15.896 1.00 0.06 H HETATM 1622 H11 UNN A 62 -4.832 -6.848 17.185 1.00 0.03 H HETATM 1623 H12 UNN A 62 -4.437 -5.687 15.873 1.00 0.03 H HETATM 1624 H9 UNN A 62 -1.977 -6.302 16.249 1.00 0.04 H HETATM 1625 H10 UNN A 62 -2.771 -5.368 17.562 1.00 0.04 H HETATM 1626 H1 UNN A 62 -2.248 -10.299 21.188 1.00 0.06 H HETATM 1627 H2 UNN A 62 -3.618 -9.146 21.328 1.00 0.06 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1540 1541 1547 1626 1627 CONECT 1541 1540 1542 1574 CONECT 1542 1541 1543 1572 CONECT 1543 1542 1544 1545 CONECT 1544 1543 CONECT 1545 1543 1546 1552 CONECT 1546 1545 1547 1550 1551 CONECT 1547 1540 1546 1548 1549 CONECT 1548 1547 CONECT 1549 1547 CONECT 1550 1546 CONECT 1551 1546 CONECT 1552 1545 1553 1557 CONECT 1553 1552 1554 1571 CONECT 1554 1553 1555 1568 CONECT 1555 1554 1556 1567 CONECT 1556 1555 1557 1560 CONECT 1557 1552 1556 1558 CONECT 1558 1557 1559 1566 CONECT 1559 1558 1560 1565 CONECT 1560 1556 1559 1561 CONECT 1561 1560 1562 1563 1564 CONECT 1562 1561 CONECT 1563 1561 CONECT 1564 1561 CONECT 1565 1559 CONECT 1566 1558 CONECT 1567 1555 CONECT 1568 1554 1569 1570 CONECT 1569 1568 CONECT 1570 1568 CONECT 1571 1553 CONECT 1572 1542 1573 1599 CONECT 1573 1572 1574 1579 CONECT 1574 1541 1573 1575 CONECT 1575 1574 1576 1582 CONECT 1576 1575 1577 1578 CONECT 1577 1576 CONECT 1578 1576 1579 1581 CONECT 1579 1573 1578 1580 CONECT 1580 1579 CONECT 1581 1578 CONECT 1582 1575 1583 1590 CONECT 1583 1582 1584 1595 CONECT 1584 1583 1585 1589 CONECT 1585 1584 1586 1587 1588 CONECT 1586 1585 CONECT 1587 1585 CONECT 1588 1585 CONECT 1589 1584 1590 CONECT 1590 1582 1589 1591 CONECT 1591 1590 1592 1593 1594 CONECT 1592 1591 CONECT 1593 1591 CONECT 1594 1591 CONECT 1595 1583 1596 1597 1598 CONECT 1596 1595 CONECT 1597 1595 CONECT 1598 1595 CONECT 1599 1572 1600 1624 1625 CONECT 1600 1599 1601 1622 1623 CONECT 1601 1600 1602 1620 1621 CONECT 1602 1601 1603 CONECT 1603 1602 1604 1609 CONECT 1604 1603 1605 1619 CONECT 1605 1604 1606 1615 CONECT 1606 1605 1607 1608 CONECT 1607 1606 CONECT 1608 1606 1609 1611 CONECT 1609 1603 1608 1610 CONECT 1610 1609 CONECT 1611 1608 1612 1613 1614 CONECT 1612 1611 CONECT 1613 1611 CONECT 1614 1611 CONECT 1615 1605 1616 1617 1618 CONECT 1616 1615 CONECT 1617 1615 CONECT 1618 1615 CONECT 1619 1604 CONECT 1620 1601 CONECT 1621 1601 CONECT 1622 1600 CONECT 1623 1600 CONECT 1624 1599 CONECT 1625 1599 CONECT 1626 1540 CONECT 1627 1540 MASTER 0 0 0 0 0 0 0 0 1626 1 92 12 END
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Related entries of code: 5if4
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
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RCSB PDB
PDBbind
161aa, >3WIX_1|Chains... at 90%
3wiy
RCSB PDB
PDBbind
161aa, >3WIY_1|Chains... at 90%
4hw2
RCSB PDB
PDBbind
153aa, >4HW2_1|Chains... at 96%
4hw3
RCSB PDB
PDBbind
153aa, >4HW3_1|Chains... at 96%
4oq6
RCSB PDB
PDBbind
157aa, >4OQ6_1|Chains... at 92%
4wgi
RCSB PDB
PDBbind
518aa, >4WGI_1|Chain... *
4wmu
RCSB PDB
PDBbind
518aa, >4WMU_1|Chain... at 100%
4wmv
RCSB PDB
PDBbind
518aa, >4WMV_1|Chain... at 100%
4wmx
RCSB PDB
PDBbind
518aa, >4WMX_1|Chain... at 100%
4zbf
RCSB PDB
PDBbind
157aa, >4ZBF_1|Chains... at 93%
4zbi
RCSB PDB
PDBbind
157aa, >4ZBI_1|Chains... at 93%
5fdo
RCSB PDB
PDBbind
150aa, >5FDO_1|Chains... at 97%
5fdr
RCSB PDB
PDBbind
158aa, >5FDR_1|Chains... at 92%
5iez
RCSB PDB
PDBbind
159aa, >5IEZ_1|Chains... at 91%
5vkc
RCSB PDB
PDBbind
157aa, >5VKC_1|Chains... at 92%
6b4l
RCSB PDB
PDBbind
157aa, >6B4L_1|Chains... at 92%
6b4u
RCSB PDB
PDBbind
157aa, >6B4U_1|Chain... at 92%
6bw2
RCSB PDB
PDBbind
158aa, >6BW2_1|Chains... at 92%
6bw8
RCSB PDB
PDBbind
158aa, >6BW8_1|Chains... at 92%
6dm8
RCSB PDB
PDBbind
518aa, >6DM8_1|Chains... at 96%
6fs1
RCSB PDB
PDBbind
150aa, >6FS1_1|Chains... at 92%
6qz7
RCSB PDB
PDBbind
518aa, >6QZ7_1|Chain... at 99%
6qyo
RCSB PDB
PDBbind
518aa, >6QYO_1|Chain... at 99%
6qyn
RCSB PDB
PDBbind
518aa, >6QYN_1|Chain... at 99%
6qyl
RCSB PDB
PDBbind
518aa, >6QYL_1|Chain... at 99%
6qyk
RCSB PDB
PDBbind
518aa, >6QYK_1|Chain... at 99%
6qxj
RCSB PDB
PDBbind
518aa, >6QXJ_1|Chain... at 99%
6p3p
RCSB PDB
PDBbind
157aa, >6P3P_1|Chain... at 92%
6oqn
RCSB PDB
PDBbind
157aa, >6OQN_1|Chains... at 92%
6oqd
RCSB PDB
PDBbind
157aa, >6OQD_1|Chain... at 92%
6oqc
RCSB PDB
PDBbind
157aa, >6OQC_1|Chains... at 92%
6oqb
RCSB PDB
PDBbind
157aa, >6OQB_1|Chain... at 92%
6o6g
RCSB PDB
PDBbind
156aa, >6O6G_1|Chain... at 93%
6o6f
RCSB PDB
PDBbind
158aa, >6O6F_1|Chains... at 92%
6ne5
RCSB PDB
PDBbind
159aa, >6NE5_1|Chains... at 91%
6ud2
RCSB PDB
PDBbind
157aa, >6UD2_1|Chain... at 92%
6udi
RCSB PDB
PDBbind
157aa, >6UDI_1|Chain... at 92%
6udt
RCSB PDB
PDBbind
157aa, >6UDT_1|Chain... at 92%
6udu
RCSB PDB
PDBbind
157aa, >6UDU_1|Chain... at 92%
6udv
RCSB PDB
PDBbind
157aa, >6UDV_1|Chain... at 92%
6udx
RCSB PDB
PDBbind
157aa, >6UDX_1|Chains... at 92%
6udy
RCSB PDB
PDBbind
157aa, >6UDY_1|Chains... at 92%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
6dm8
RCSB PDB
PDBbind
6AK
Entry Information
PDB ID
5if4
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Myeloid cell leukemia 1
Ligand Name
6AK
EC.Number
E.C.-.-.-.-
Resolution
2.39(Å)
Affinity (Kd/Ki/IC50)
Ki<1nM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) FEBS Lett. Vol. 591: pp. 240-251
Ligand Properties
Formula
C
3
9
H
3
9
Cl
2
N
5
O
4
Molecular Weight
712.664
Exact Mass
711.238
No. of atoms
89
No. of bonds
95
Polar Surface Area
94.52
LOGP Value
9.11 (
Computed with XLOGP3
)
8.90 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 7
Canonical SMILES
OC(=O)c1cc(c2c(c1)n(C)cc2)N1CCCn2c(C1=O)c(CCCOc1cc(C)c(c(c1)C)Cl)c1c2c(c(cc1)Cl)c1c(C)nn(c1C)C
InChI String
InChI=1S/C39H39Cl2N5O4/c1-21-17-26(18-22(2)35(21)41)50-16-7-9-27-28-10-11-30(40)34(33-23(3)42-44(6)24(33)4)36(28)46-14-8-13-45(38(47)37(27)46)32-20-25(39(48)49)19-31-29(32)12-15-43(31)5/h10-12,15,17-20H,7-9,13-14,16H2,1-6H3,(H,48,49)
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):
Q07820
Entrez Gene ID
NCBI Entrez Gene ID:
4170
ASD
Information of known allosteric effects of PDB entries
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